#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x n PRO 4002N 0.00 -0.09 -1.53 0.03 -0.02 -1.26 -3.58 135.00 128.55 1a9x n PRO 4002Ca 0.00 -1.71 -0.38 0.00 -2.02 0.00 0.00 63.50 59.40 1a9x n PRO 4002Cb 0.00 -0.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.87 1a9x n PRO 4002CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1a9x n LYS 4003N -2.37 0.74 0.00 -0.52 2.85 -1.26 -4.37 118.16 113.24 1a9x n LYS 4003Ca 0.11 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1a9x n LYS 4003Cb 0.39 -2.88 0.00 0.00 -0.65 0.00 0.00 35.03 31.89 1a9x n LYS 4003CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1a9x n ARG 4004N 8.85 0.00 -0.00 -1.58 1.74 -0.84 -4.98 116.66 119.85 1a9x n ARG 4004Ca 0.45 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.57 1a9x n ARG 4004Cb 0.40 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.79 1a9x n ARG 4004CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1a9x n THR 4005N 0.00 0.00 1.14 0.55 5.66 -1.26 -4.53 114.28 115.84 1a9x n THR 4005Ca 0.00 -0.18 0.14 0.00 -3.05 0.00 0.00 64.05 60.96 1a9x n THR 4005Cb 0.00 0.47 0.64 0.00 -1.55 0.00 0.00 70.33 69.90 1a9x n THR 4005CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1a9x n ASP 4006N -1.61 0.04 -4.44 1.09 5.75 -1.26 -4.70 116.55 111.42 1a9x n ASP 4006Ca -0.01 0.24 -0.36 0.00 -0.01 0.00 0.00 54.79 54.65 1a9x n ASP 4006Cb 0.15 -0.38 -0.13 0.00 -1.03 0.00 0.00 41.12 39.73 1a9x n ASP 4006CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1a9x s ILE 4007N -2.86 4.15 -0.14 2.12 1.01 -1.26 -4.94 121.20 119.28 1a9x s ILE 4007Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 1a9x s ILE 4007Cb 0.19 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1a9x s ILE 4007CO 0.52 0.38 -0.15 0.29 0.00 0.00 0.00 174.94 175.97 1a9x n LYS 4008N 4.65 0.33 -4.94 2.79 5.02 -1.26 -4.99 118.16 119.76 1a9x n LYS 4008Ca -0.17 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1a9x n LYS 4008Cb 0.51 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 1a9x n LYS 4008CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a9x s SER 4009N -5.74 3.48 -0.04 4.39 1.04 -1.26 -1.13 113.70 114.44 1a9x s SER 4009Ca -0.19 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1a9x s SER 4009Cb 0.06 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1a9x s SER 4009CO 0.29 0.29 -0.14 -0.63 0.98 0.00 0.00 173.24 174.03 1a9x s ILE 4010N -0.78 1.17 -0.35 -1.02 1.09 0.49 -1.76 121.20 120.04 1a9x s ILE 4010Ca 0.12 -0.56 -0.13 0.00 -1.10 0.00 0.00 60.65 58.97 1a9x s ILE 4010Cb -0.10 -1.02 -0.01 0.00 -1.06 0.00 0.00 42.46 40.26 1a9x s ILE 4010CO 0.02 0.35 0.26 -0.22 -0.10 0.00 0.00 174.94 175.25 1a9x s LEU 4011N 0.17 4.62 -0.33 2.97 2.96 -0.16 -0.57 118.68 128.34 1a9x s LEU 4011Ca -0.05 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 53.22 1a9x s LEU 4011Cb -0.11 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1a9x s LEU 4011CO 0.02 -0.28 0.36 -0.63 -1.32 0.00 0.00 176.35 174.50 1a9x s ILE 4012N 1.74 5.17 -0.41 6.68 1.01 0.15 -0.74 121.20 134.79 1a9x s ILE 4012Ca 0.06 0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.55 1a9x s ILE 4012Cb -0.18 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1a9x s ILE 4012CO 0.11 -0.06 1.03 -0.76 0.00 0.00 0.00 174.94 175.25 1a9x s LEU 4013N 2.03 3.87 0.91 2.97 1.43 -1.15 -1.95 118.68 126.79 1a9x s LEU 4013Ca 0.12 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 1a9x s LEU 4013Cb -0.16 -3.40 0.14 0.00 0.03 0.00 0.00 46.19 42.79 1a9x s LEU 4013CO 0.12 -1.02 1.11 -0.83 0.23 0.00 0.00 176.35 175.95 1a9x s GLY 4014N 2.08 1.59 0.33 -3.19 0.00 0.50 -3.57 107.32 105.06 1a9x s GLY 4014Ca 0.43 -0.36 0.22 0.00 0.00 0.00 0.00 44.72 45.00 1a9x s GLY 4014CO 0.23 0.18 1.38 0.00 0.00 0.00 0.00 173.10 174.90 1a9x h ALA 4015N -1.55 0.80 0.00 3.20 0.00 -1.82 -3.40 119.26 116.49 1a9x h ALA 4015Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1a9x h ALA 4015Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a9x h ALA 4015CO 0.59 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1a9x n GLY 4016N 1.15 -1.89 3.77 0.00 0.00 -1.26 -4.73 105.19 102.23 1a9x n GLY 4016Ca 0.02 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1a9x n GLY 4016CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 4017N -0.00 2.51 -1.82 1.61 -0.04 -1.26 -4.52 135.00 131.47 1a9x n PRO 4017Ca 0.00 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 63.93 1a9x n PRO 4017Cb 0.00 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 30.76 1a9x n PRO 4017CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a9x s ILE 4018N -1.15 2.27 0.11 0.52 -1.09 -1.26 -4.94 121.20 115.66 1a9x s ILE 4018Ca 0.57 0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 59.16 1a9x s ILE 4018Cb -0.46 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1a9x s ILE 4018CO 0.61 0.02 0.08 0.68 -1.23 0.00 0.00 174.94 175.10 1a9x s VAL 4019N 0.93 0.13 0.10 2.92 -7.23 -0.94 -2.87 120.40 113.44 1a9x s VAL 4019Ca 0.71 -1.74 -0.32 0.00 -1.81 0.00 0.00 61.98 58.82 1a9x s VAL 4019Cb -0.47 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 1a9x s VAL 4019CO 0.35 -0.58 1.84 -0.38 -0.31 0.00 0.00 175.10 176.01 1a9x n ILE 4020N -0.06 0.40 0.00 -0.62 5.41 -1.26 -1.32 119.36 121.91 1a9x n ILE 4020Ca -0.09 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1a9x n ILE 4020Cb 0.63 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1a9x n ILE 4020CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 4021N 4.22 1.84 2.45 7.39 0.00 -1.26 -4.93 105.19 114.90 1a9x n GLY 4021Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1a9x n GLY 4021CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a9x n GLN 4022N -2.00 0.44 0.00 1.61 7.27 -0.44 -4.70 117.38 119.56 1a9x n GLN 4022Ca 0.00 -2.82 0.00 0.00 0.07 0.00 0.00 57.00 54.25 1a9x n GLN 4022Cb 0.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1a9x n GLN 4022CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a9x n ALA 4023N 2.40 0.00 0.29 1.69 0.00 -1.24 -2.20 120.51 121.44 1a9x n ALA 4023Ca 0.23 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.84 1a9x n ALA 4023Cb 0.52 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.84 1a9x n ALA 4023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h GLU 4025N 0.00 0.00 0.00 0.00 9.09 -1.89 -0.73 114.58 121.05 1a9x h GLU 4025Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1a9x h GLU 4025Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1a9x h GLU 4025CO 0.01 0.00 -0.21 0.74 0.05 0.00 0.00 179.01 179.59 1a9x h PHE 4026N 0.00 0.00 0.18 2.06 0.04 -1.78 -0.54 116.94 116.90 1a9x h PHE 4026Ca 0.28 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.73 1a9x h PHE 4026Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 1a9x h PHE 4026CO 0.00 0.00 -1.54 0.22 -0.60 0.00 0.00 178.31 176.39 1a9x h ASP 4027N 0.00 0.60 -0.17 2.17 3.58 -1.36 0.13 116.42 121.37 1a9x h ASP 4027Ca 0.00 -0.75 -0.02 0.00 0.42 0.00 0.00 57.03 56.68 1a9x h ASP 4027Cb 0.88 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1a9x h ASP 4027CO 0.00 1.61 0.05 0.22 -2.88 0.00 0.00 179.24 178.24 1a9x h TYR 4028N 0.11 0.29 -0.15 0.28 3.20 -1.30 0.28 116.97 119.67 1a9x h TYR 4028Ca -0.26 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.54 1a9x h TYR 4028Cb 2.08 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.27 1a9x h TYR 4028CO 0.09 0.40 -0.03 0.77 -1.64 0.00 0.00 178.16 177.75 1a9x h SER 4029N 0.10 0.29 -0.85 -2.11 0.02 -1.16 -2.19 113.55 107.64 1a9x h SER 4029Ca 0.06 -0.36 0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1a9x h SER 4029Cb 0.25 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 1a9x h SER 4029CO -0.00 0.59 0.54 1.23 -1.14 0.00 0.00 176.83 178.05 1a9x h GLY 4030N -0.01 1.26 2.00 -3.77 0.00 -0.63 -0.35 103.07 101.58 1a9x h GLY 4030Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1a9x h GLY 4030CO 0.01 0.31 -0.54 0.00 0.00 0.00 0.00 176.54 176.32 1a9x h ALA 4031N 1.38 1.07 -0.22 3.60 0.00 -0.39 -2.37 119.26 122.32 1a9x h ALA 4031Ca 0.36 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1a9x h ALA 4031Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 4031CO -0.14 0.67 -0.61 1.96 0.00 0.00 0.00 179.25 181.13 1a9x h GLN 4032N 0.00 0.75 -0.74 0.00 4.20 -0.58 -2.23 115.11 116.51 1a9x h GLN 4032Ca -0.01 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1a9x h GLN 4032Cb 0.98 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1a9x h GLN 4032CO 0.07 1.13 0.33 0.00 -0.67 0.00 0.00 178.83 179.70 1a9x h ALA 4033N 0.75 0.96 -0.25 3.87 0.00 -0.94 -0.94 119.26 122.71 1a9x h ALA 4033Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1a9x h ALA 4033Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1a9x h ALA 4033CO 0.13 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.84 1a9x h LYS 4035N 0.24 0.83 0.02 0.00 3.64 -1.25 -0.35 116.57 119.70 1a9x h LYS 4035Ca 0.06 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1a9x h LYS 4035Cb 0.58 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1a9x h LYS 4035CO 0.03 0.64 -0.01 0.00 -2.27 0.00 0.00 179.45 177.84 1a9x h ALA 4036N 1.15 -0.03 -0.31 5.00 0.00 -1.18 -1.82 119.26 122.06 1a9x h ALA 4036Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a9x h ALA 4036Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a9x h ALA 4036CO -0.03 -0.41 0.13 -0.07 0.00 0.00 0.00 179.25 178.87 1a9x h LEU 4037N -0.23 0.43 -0.81 0.00 3.38 -1.41 -1.92 115.31 114.74 1a9x h LEU 4037Ca -0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1a9x h LEU 4037Cb 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1a9x h LEU 4037CO 0.00 0.46 0.30 -0.09 0.09 0.00 0.00 178.44 179.20 1a9x h ARG 4038N 0.36 1.17 -0.02 1.13 2.43 -1.07 -1.32 114.38 117.06 1a9x h ARG 4038Ca 0.11 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1a9x h ARG 4038Cb 0.16 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1a9x h ARG 4038CO -0.01 0.96 -0.37 1.49 -1.51 0.00 0.00 179.97 180.53 1a9x h GLU 4039N 1.14 0.04 -0.54 0.20 4.81 -1.21 -2.34 114.58 116.68 1a9x h GLU 4039Ca 0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1a9x h GLU 4039Cb 0.23 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1a9x h GLU 4039CO -0.02 0.41 0.00 0.39 -0.73 0.00 0.00 179.01 179.06 1a9x n GLU 4040N -4.09 2.47 -0.38 1.92 -0.58 -0.73 -4.93 120.64 114.32 1a9x n GLU 4040Ca -0.02 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 1a9x n GLU 4040Cb 0.41 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1a9x n GLU 4040CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a9x n GLY 4041N 1.02 0.83 3.88 0.62 0.00 -0.88 -5.04 105.19 105.62 1a9x n GLY 4041Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1a9x n GLY 4041CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 4042N -2.84 3.55 -0.26 1.61 1.51 -0.55 -5.00 117.35 115.37 1a9x s TYR 4042Ca 0.00 1.15 -0.18 0.00 -1.01 0.00 0.00 57.07 57.03 1a9x s TYR 4042Cb 0.00 -2.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1a9x s TYR 4042CO 0.00 -0.73 0.52 0.50 -1.11 0.00 0.00 175.55 174.73 1a9x s ARG 4043N -5.14 4.08 -0.21 -0.62 3.52 -0.28 -4.39 118.95 115.90 1a9x s ARG 4043Ca 0.54 0.33 -0.09 0.00 -0.13 0.00 0.00 55.73 56.39 1a9x s ARG 4043Cb -0.11 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1a9x s ARG 4043CO 0.52 -0.34 0.10 0.08 -0.81 0.00 0.00 175.30 174.85 1a9x s VAL 4044N 2.28 4.99 -0.12 7.11 1.01 -1.26 -0.38 120.40 134.03 1a9x s VAL 4044Ca 0.21 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1a9x s VAL 4044Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1a9x s VAL 4044CO 0.09 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.80 1a9x s ILE 4045N 0.68 2.69 0.01 2.22 1.01 0.26 -0.95 121.20 127.12 1a9x s ILE 4045Ca 0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1a9x s ILE 4045Cb -0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1a9x s ILE 4045CO 0.01 0.54 0.04 0.54 0.00 0.00 0.00 174.94 176.07 1a9x s ASN 4046N 0.34 0.12 -0.09 3.58 4.22 -0.05 0.31 114.94 123.37 1a9x s ASN 4046Ca -0.14 -0.29 0.04 0.00 -2.14 0.00 0.00 52.86 50.33 1a9x s ASN 4046Cb -0.17 0.14 -0.01 0.00 1.28 0.00 0.00 41.25 42.50 1a9x s ASN 4046CO 0.07 -0.27 -0.23 0.54 -2.04 0.00 0.00 177.10 175.17 1a9x s VAL 4047N -1.16 2.17 -0.30 3.54 0.11 -0.83 -0.38 120.40 123.56 1a9x s VAL 4047Ca -0.13 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 57.84 1a9x s VAL 4047Cb -0.07 -1.82 0.14 0.00 -1.53 0.00 0.00 36.38 33.10 1a9x s VAL 4047CO 0.00 0.56 0.64 0.21 -3.33 0.00 0.00 175.10 173.18 1a9x s ASN 4048N 0.14 -1.19 0.52 3.54 3.84 0.84 -0.37 114.94 122.25 1a9x s ASN 4048Ca -0.12 1.44 0.30 0.00 0.21 0.00 0.00 52.86 54.69 1a9x s ASN 4048Cb -0.16 2.28 1.27 0.00 -0.55 0.00 0.00 41.25 44.09 1a9x s ASN 4048CO 0.07 -0.23 1.96 0.77 -2.79 0.00 0.00 177.10 176.88 1a9x h SER 4049N 8.00 0.00 -3.34 -4.21 4.64 -1.78 -3.36 113.55 113.50 1a9x h SER 4049Ca -0.19 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.56 1a9x h SER 4049Cb 1.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1a9x h SER 4049CO 0.13 0.09 0.89 0.21 -0.87 0.00 0.00 176.83 177.28 1a9x s ASN 4050N -5.89 6.82 0.34 4.97 2.47 -1.26 -1.83 114.94 120.56 1a9x s ASN 4050Ca 0.00 0.98 0.18 0.00 0.42 0.00 0.00 52.86 54.44 1a9x s ASN 4050Cb 0.10 -2.54 0.38 0.00 -1.45 0.00 0.00 41.25 37.74 1a9x s ASN 4050CO 0.57 -1.00 1.59 1.55 -3.72 0.00 0.00 177.10 176.10 1a9x h PRO 4051N 8.58 0.00 -1.64 0.43 0.13 -1.82 -3.31 132.00 134.37 1a9x h PRO 4051Ca -0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 1a9x h PRO 4051Cb 1.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1a9x h PRO 4051CO 1.05 0.40 0.14 0.00 -0.23 0.00 0.00 178.00 179.36 1a9x n ALA 4052N -2.23 4.10 -2.32 -0.56 0.00 -1.26 -4.68 120.51 113.55 1a9x n ALA 4052Ca 0.01 -0.58 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1a9x n ALA 4052Cb 0.62 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 1a9x n ALA 4052CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a9x s THR 4053N -0.78 2.02 0.44 0.00 -4.23 -1.25 -4.67 115.64 107.18 1a9x s THR 4053Ca 0.11 -1.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.63 1a9x s THR 4053Cb 0.09 -1.68 0.20 0.00 1.34 0.00 0.00 72.50 72.44 1a9x s THR 4053CO 0.00 0.55 2.01 0.40 -0.54 0.00 0.00 174.62 177.04 1a9x h ILE 4054N 4.48 1.12 0.00 2.99 1.08 -1.88 -2.11 117.51 123.17 1a9x h ILE 4054Ca -0.43 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1a9x h ILE 4054Cb 1.12 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1a9x h ILE 4054CO 0.47 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 178.08 1a9x h MET 4055N 0.09 0.00 -0.55 2.37 -0.00 -1.93 -1.38 114.93 113.53 1a9x h MET 4055Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1a9x h MET 4055Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1a9x h MET 4055CO 0.02 0.00 0.00 0.25 -0.00 0.00 0.00 176.91 177.18 1a9x n THR 4056N -3.07 1.33 -2.25 -0.10 -2.24 -0.79 -4.85 114.28 102.30 1a9x n THR 4056Ca -0.03 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.20 1a9x n THR 4056Cb 0.07 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1a9x n THR 4056CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a9x s ASP 4057N -1.05 6.91 0.50 3.42 1.01 -0.52 -4.88 116.67 122.05 1a9x s ASP 4057Ca 0.41 2.22 0.28 0.00 0.71 0.00 0.00 52.55 56.16 1a9x s ASP 4057Cb 0.24 -2.58 1.37 0.00 1.01 0.00 0.00 42.92 42.95 1a9x s ASP 4057CO 0.24 -0.60 1.87 1.55 0.21 0.00 0.00 175.17 178.43 1a9x h PRO 4058N 6.86 0.12 -0.00 8.23 0.13 -1.91 0.21 132.00 145.64 1a9x h PRO 4058Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1a9x h PRO 4058Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a9x h PRO 4058CO 0.85 0.08 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.81 1a9x n GLU 4059N -4.35 0.95 0.01 0.86 0.00 -1.26 -3.69 120.64 113.16 1a9x n GLU 4059Ca 0.20 -0.25 0.12 0.00 0.00 0.00 0.00 57.16 57.22 1a9x n GLU 4059Cb 0.91 -1.49 0.17 0.00 0.00 0.00 0.00 31.44 31.02 1a9x n GLU 4059CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a9x n MET 4060N -0.81 0.05 -3.98 3.44 2.81 0.06 -4.96 117.12 113.74 1a9x n MET 4060Ca 0.19 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.97 1a9x n MET 4060Cb 0.22 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 1a9x n MET 4060CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a9x s ALA 4061N -3.03 0.11 -0.17 3.04 0.00 -1.24 -4.62 121.76 115.84 1a9x s ALA 4061Ca 0.09 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 1a9x s ALA 4061Cb 0.17 0.98 -0.22 0.00 0.00 0.00 0.00 23.12 24.04 1a9x s ALA 4061CO 0.74 -0.87 0.37 -0.44 0.00 0.00 0.00 175.76 175.55 1a9x h ASP 4062N 2.08 0.13 -3.43 0.00 3.32 -1.32 -3.44 116.42 113.77 1a9x h ASP 4062Ca -0.29 -0.69 -0.59 0.00 0.02 0.00 0.00 57.03 55.48 1a9x h ASP 4062Cb 1.24 -0.04 -0.39 0.00 0.22 0.00 0.00 39.33 40.36 1a9x h ASP 4062CO 0.39 1.51 -0.77 0.00 -1.72 0.00 0.00 179.24 178.65 1a9x s ALA 4063N -2.40 1.71 -0.25 3.45 0.00 -0.31 -4.90 121.76 119.06 1a9x s ALA 4063Ca -0.25 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.21 1a9x s ALA 4063Cb 0.05 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1a9x s ALA 4063CO 0.66 -1.36 0.15 0.99 0.00 0.00 0.00 175.76 176.20 1a9x s THR 4064N 1.52 5.15 -0.21 0.00 2.01 -1.26 -0.87 115.64 121.97 1a9x s THR 4064Ca 0.01 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1a9x s THR 4064Cb -0.18 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.92 1a9x s THR 4064CO -0.12 0.32 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.71 1a9x s TYR 4065N 1.36 2.93 -0.89 4.92 2.02 0.49 -0.14 117.35 128.04 1a9x s TYR 4065Ca 0.07 -1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 55.28 1a9x s TYR 4065Cb -0.15 -2.02 0.23 0.00 -0.40 0.00 0.00 41.96 39.62 1a9x s TYR 4065CO 0.07 -0.70 0.83 0.42 -1.57 0.00 0.00 175.55 174.60 1a9x s ILE 4066N 1.36 5.43 0.14 2.71 1.01 -1.26 -0.11 121.20 130.48 1a9x s ILE 4066Ca 0.04 -2.89 -0.08 0.00 0.00 0.00 0.00 60.65 57.71 1a9x s ILE 4066Cb -0.15 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 1a9x s ILE 4066CO -0.07 -1.06 0.24 -1.61 0.00 0.00 0.00 174.94 172.44 1a9x s GLU 4067N -0.37 1.04 0.24 2.79 0.41 -1.26 -4.53 118.70 117.02 1a9x s GLU 4067Ca 0.22 -1.12 -0.31 0.00 -0.41 0.00 0.00 54.97 53.35 1a9x s GLU 4067Cb -0.11 0.36 -0.13 0.00 -1.78 0.00 0.00 34.13 32.47 1a9x s GLU 4067CO -0.08 -0.36 1.52 -2.30 -0.49 0.00 0.00 175.26 173.55 1a9x n PRO 4068N -0.16 2.31 -1.61 0.39 -0.02 -1.26 -3.10 135.00 131.55 1a9x n PRO 4068Ca -0.10 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1a9x n PRO 4068Cb 0.63 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1a9x n PRO 4068CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1a9x n ILE 4069N 2.45 4.02 -5.06 4.25 5.41 -1.26 -4.56 119.36 124.60 1a9x n ILE 4069Ca 0.12 -3.01 -0.32 0.00 1.00 0.00 0.00 62.75 60.54 1a9x n ILE 4069Cb 0.33 -2.56 -0.16 0.00 -0.71 0.00 0.00 39.64 36.54 1a9x n ILE 4069CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1a9x s HIS 4070N 2.25 2.62 0.36 1.39 2.46 -1.26 -5.01 115.29 118.09 1a9x s HIS 4070Ca 0.57 -0.73 0.13 0.00 0.47 0.00 0.00 55.06 55.50 1a9x s HIS 4070Cb 0.16 -1.71 0.97 0.00 -0.13 0.00 0.00 32.58 31.86 1a9x s HIS 4070CO -0.07 -0.23 1.77 0.11 -2.47 0.00 0.00 174.74 173.85 1a9x h TRP 4071N 6.36 0.82 -0.03 3.88 5.08 -1.91 0.54 115.95 130.70 1a9x h TRP 4071Ca -0.28 0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.62 1a9x h TRP 4071Cb 1.20 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 27.11 1a9x h TRP 4071CO 0.47 0.11 -0.46 0.93 -1.28 0.00 0.00 178.44 178.22 1a9x h GLU 4072N 0.53 0.06 0.10 0.12 5.08 -1.95 0.61 114.58 119.12 1a9x h GLU 4072Ca 0.59 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.65 1a9x h GLU 4072Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1a9x h GLU 4072CO -0.34 0.51 -1.17 0.28 -1.00 0.00 0.00 179.01 177.29 1a9x h VAL 4073N 0.05 1.38 -0.57 3.13 2.07 -0.41 -2.69 116.25 119.21 1a9x h VAL 4073Ca 0.00 -2.65 -0.04 0.00 0.82 0.00 0.00 66.70 64.83 1a9x h VAL 4073Cb 0.83 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1a9x h VAL 4073CO 0.06 0.79 0.20 0.58 0.02 0.00 0.00 177.57 179.22 1a9x h VAL 4074N 0.20 1.23 -0.87 2.57 2.07 -0.13 -1.91 116.25 119.41 1a9x h VAL 4074Ca -0.14 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.71 1a9x h VAL 4074Cb 1.85 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 1a9x h VAL 4074CO 0.21 0.29 0.51 -0.09 0.02 0.00 0.00 177.57 178.50 1a9x h ARG 4075N 0.79 0.81 0.00 1.57 2.43 0.24 0.19 114.38 120.40 1a9x h ARG 4075Ca 0.19 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1a9x h ARG 4075Cb 0.25 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1a9x h ARG 4075CO -0.01 0.53 -0.25 0.87 -1.51 0.00 0.00 179.97 179.61 1a9x h LYS 4076N 0.83 0.00 -0.08 0.20 1.79 -1.05 -1.22 116.57 117.04 1a9x h LYS 4076Ca 0.42 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.67 1a9x h LYS 4076Cb 0.40 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1a9x h LYS 4076CO -0.26 0.25 -0.83 0.82 -1.08 0.00 0.00 179.45 178.35 1a9x h ILE 4077N 0.00 1.30 -0.83 1.86 2.04 -0.02 -2.47 117.51 119.39 1a9x h ILE 4077Ca -0.00 -2.06 0.03 0.00 1.00 0.00 0.00 64.86 63.82 1a9x h ILE 4077Cb 0.48 2.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1a9x h ILE 4077CO 0.03 0.64 0.54 0.40 0.00 0.00 0.00 178.15 179.76 1a9x h ILE 4078N 0.40 1.16 -0.58 -0.67 2.04 -0.27 -0.12 117.51 119.47 1a9x h ILE 4078Ca -0.08 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 1a9x h ILE 4078Cb 1.48 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1a9x h ILE 4078CO 0.17 0.19 -0.02 -0.08 0.00 0.00 0.00 178.15 178.41 1a9x h GLU 4079N 1.06 1.02 -0.07 2.37 4.81 -1.24 0.88 114.58 123.42 1a9x h GLU 4079Ca 0.32 -0.33 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1a9x h GLU 4079Cb -0.03 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.27 1a9x h GLU 4079CO -0.10 1.01 -0.92 -0.22 -0.73 0.00 0.00 179.01 178.05 1a9x h LYS 4080N 0.93 0.73 0.00 1.92 3.64 -1.10 -3.36 116.57 119.33 1a9x h LYS 4080Ca 0.16 -0.69 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1a9x h LYS 4080Cb 0.57 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1a9x h LYS 4080CO 0.03 1.28 -2.05 0.39 -2.27 0.00 0.00 179.45 176.83 1a9x n GLU 4081N -3.88 0.69 -3.64 1.90 -0.58 -0.09 -5.03 120.64 110.01 1a9x n GLU 4081Ca -0.09 -0.14 -0.30 0.00 -0.42 0.00 0.00 57.16 56.21 1a9x n GLU 4081Cb 0.82 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 30.24 1a9x n GLU 4081CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1a9x n ARG 4082N -2.36 -1.29 -2.16 3.49 5.12 0.30 -4.92 116.66 114.85 1a9x n ARG 4082Ca -0.12 0.49 -0.36 0.00 -1.93 0.00 0.00 57.85 55.94 1a9x n ARG 4082Cb 0.71 -4.26 0.01 0.00 -1.16 0.00 0.00 32.46 27.76 1a9x n ARG 4082CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a9x s PRO 4083N -5.84 3.25 -0.01 5.56 0.04 -1.26 -4.95 135.00 131.79 1a9x s PRO 4083Ca 0.48 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 1a9x s PRO 4083Cb -0.16 -2.02 -0.22 0.00 0.04 0.00 0.00 34.50 32.13 1a9x s PRO 4083CO 0.85 -0.96 1.11 -0.44 0.04 0.00 0.00 177.00 177.60 1a9x h ASP 4084N 1.17 0.44 -3.49 6.66 3.32 -1.68 -3.42 116.42 119.42 1a9x h ASP 4084Ca -0.50 -0.73 -0.43 0.00 0.02 0.00 0.00 57.03 55.39 1a9x h ASP 4084Cb 1.27 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1a9x h ASP 4084CO 0.57 1.11 -0.66 0.00 -1.72 0.00 0.00 179.24 178.54 1a9x s ALA 4085N -3.30 2.04 -0.09 3.45 0.00 -1.08 -0.33 121.76 122.45 1a9x s ALA 4085Ca -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.00 1a9x s ALA 4085Cb 0.03 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1a9x s ALA 4085CO 0.79 -0.20 -0.12 0.54 0.00 0.00 0.00 175.76 176.78 1a9x s VAL 4086N -3.27 1.19 -0.34 0.00 0.11 0.22 -0.99 120.40 117.33 1a9x s VAL 4086Ca 0.29 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1a9x s VAL 4086Cb 0.05 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1a9x s VAL 4086CO 0.10 0.38 0.20 -0.22 -3.33 0.00 0.00 175.10 172.23 1a9x s LEU 4087N 0.99 4.43 -0.22 2.54 2.96 0.08 -1.94 118.68 127.51 1a9x s LEU 4087Ca -0.08 -0.64 0.14 0.00 -0.22 0.00 0.00 54.13 53.33 1a9x s LEU 4087Cb -0.15 -2.05 0.55 0.00 0.50 0.00 0.00 46.19 45.05 1a9x s LEU 4087CO -0.00 -0.27 1.48 -0.81 -1.32 0.00 0.00 176.35 175.43 1a9x n PRO 4088N 5.03 2.77 -0.23 0.98 -0.04 -1.26 -2.93 135.00 139.32 1a9x n PRO 4088Ca -0.13 -2.96 0.11 0.00 -0.04 0.00 0.00 63.50 60.48 1a9x n PRO 4088Cb 0.48 -1.89 0.23 0.00 -0.04 0.00 0.00 33.50 32.28 1a9x n PRO 4088CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a9x n THR 4089N -0.62 0.67 -0.57 0.52 -2.24 -1.26 -3.93 114.28 106.85 1a9x n THR 4089Ca 0.27 -0.83 0.07 0.00 -2.27 0.00 0.00 64.05 61.28 1a9x n THR 4089Cb 0.99 0.81 0.20 0.00 -2.10 0.00 0.00 70.33 70.24 1a9x n THR 4089CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1a9x n MET 4090N 1.36 2.87 -2.66 -0.78 2.81 -1.26 -1.72 117.12 117.75 1a9x n MET 4090Ca 0.19 -2.42 -0.09 0.00 -1.81 0.00 0.00 57.70 53.58 1a9x n MET 4090Cb 0.57 -1.54 0.03 0.00 -0.71 0.00 0.00 33.22 31.58 1a9x n MET 4090CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 4091N -0.04 2.27 7.00 3.03 0.00 -1.23 -4.19 105.19 112.03 1a9x n GLY 4091Ca 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1a9x n GLY 4091CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4092N -0.29 1.16 0.18 -0.02 0.00 -1.26 -0.91 105.19 104.05 1a9x n GLY 4092Ca 0.13 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1a9x n GLY 4092CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a9x h GLN 4093N 0.00 0.00 -0.82 1.61 5.75 -1.95 -2.92 115.11 116.78 1a9x h GLN 4093Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1a9x h GLN 4093Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1a9x h GLN 4093CO 0.00 0.41 0.49 1.15 -2.65 0.00 0.00 178.83 178.23 1a9x h THR 4094N 0.00 1.23 -0.13 2.39 2.02 -1.80 -1.82 112.91 114.80 1a9x h THR 4094Ca -0.00 -0.51 -0.22 0.00 0.77 0.00 0.00 66.41 66.45 1a9x h THR 4094Cb 0.87 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1a9x h THR 4094CO 0.05 0.24 -0.78 0.00 0.37 0.00 0.00 175.52 175.41 1a9x h ALA 4095N 1.41 0.37 -0.75 6.16 0.00 -0.84 -2.44 119.26 123.17 1a9x h ALA 4095Ca 0.30 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1a9x h ALA 4095Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1a9x h ALA 4095CO -0.05 0.70 0.44 -0.07 0.00 0.00 0.00 179.25 180.26 1a9x h LEU 4096N 0.48 0.91 -0.36 0.00 3.38 -1.38 0.43 115.31 118.77 1a9x h LEU 4096Ca -0.05 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1a9x h LEU 4096Cb 1.40 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1a9x h LEU 4096CO 0.15 0.72 -0.75 0.78 0.09 0.00 0.00 178.44 179.43 1a9x h ASN 4097N 1.04 0.53 -0.44 -0.43 2.35 -1.28 -2.09 115.58 115.26 1a9x h ASN 4097Ca 0.27 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1a9x h ASN 4097Cb -0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1a9x h ASN 4097CO -0.05 1.10 0.02 0.00 -1.65 0.00 0.00 177.43 176.85 1a9x h ALA 4099N 0.91 -0.31 0.00 0.00 0.00 -0.86 0.39 119.26 119.39 1a9x h ALA 4099Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 4099Cb 0.47 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1a9x h ALA 4099CO 0.02 -0.71 -0.14 -0.07 0.00 0.00 0.00 179.25 178.35 1a9x h LEU 4100N -0.35 0.00 -0.12 0.00 4.07 -1.17 -1.50 115.31 116.24 1a9x h LEU 4100Ca 0.02 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.75 1a9x h LEU 4100Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1a9x h LEU 4100CO -0.09 0.14 -1.00 -0.08 -1.08 0.00 0.00 178.44 176.33 1a9x h GLU 4101N 0.00 0.38 -0.75 1.13 4.57 -0.42 -1.93 114.58 117.57 1a9x h GLU 4101Ca -0.00 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 1a9x h GLU 4101Cb 0.30 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1a9x h GLU 4101CO 0.02 1.13 0.23 -0.07 -1.18 0.00 0.00 179.01 179.14 1a9x h LEU 4102N 0.20 1.09 0.17 1.64 3.38 -0.41 0.17 115.31 121.55 1a9x h LEU 4102Ca -0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1a9x h LEU 4102Cb 1.66 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1a9x h LEU 4102CO 0.17 1.01 -0.08 -0.08 0.09 0.00 0.00 178.44 179.55 1a9x h GLU 4103N 1.11 -0.23 -0.26 1.13 4.57 -1.25 0.16 114.58 119.82 1a9x h GLU 4103Ca 0.24 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1a9x h GLU 4103Cb 0.32 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1a9x h GLU 4103CO -0.01 0.09 0.17 -0.09 -1.18 0.00 0.00 179.01 178.00 1a9x h ARG 4104N -0.56 0.25 -0.09 1.92 2.43 -1.24 0.60 114.38 117.68 1a9x h ARG 4104Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a9x h ARG 4104Cb 0.42 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1a9x h ARG 4104CO 0.04 0.16 0.00 1.04 -1.51 0.00 0.00 179.97 179.70 1a9x n GLN 4105N -4.50 1.45 -1.28 0.20 1.13 0.58 -4.88 117.38 110.07 1a9x n GLN 4105Ca 0.02 -0.67 -0.10 0.00 -1.94 0.00 0.00 57.00 54.31 1a9x n GLN 4105Cb 0.15 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1a9x n GLN 4105CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 4106N 1.02 1.12 0.21 1.08 0.00 0.20 -4.91 105.19 103.92 1a9x n GLY 4106Ca 0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1a9x n GLY 4106CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a9x h VAL 4107N 0.00 1.32 -0.29 1.61 2.07 -0.86 -1.46 116.25 118.64 1a9x h VAL 4107Ca -0.20 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.55 1a9x h VAL 4107Cb 0.68 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1a9x h VAL 4107CO 0.29 0.52 -0.25 -0.07 0.02 0.00 0.00 177.57 178.07 1a9x h LEU 4108N 0.39 0.58 -0.17 2.57 3.38 -1.81 -2.42 115.31 117.83 1a9x h LEU 4108Ca 0.02 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 1a9x h LEU 4108Cb 0.96 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1a9x h LEU 4108CO 0.08 0.82 -0.70 -0.08 0.09 0.00 0.00 178.44 178.66 1a9x h GLU 4109N 0.50 0.78 -0.99 1.13 4.81 -1.84 0.19 114.58 119.17 1a9x h GLU 4109Ca 0.07 -0.61 0.12 0.00 -0.13 0.00 0.00 59.36 58.81 1a9x h GLU 4109Cb 0.71 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.12 1a9x h GLU 4109CO 0.05 1.22 0.62 1.49 -0.73 0.00 0.00 179.01 181.67 1a9x h GLU 4110N 0.51 0.94 -0.14 1.92 4.81 -1.12 -2.72 114.58 118.78 1a9x h GLU 4110Ca -0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1a9x h GLU 4110Cb 1.33 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1a9x h GLU 4110CO 0.15 0.62 0.00 1.19 -0.73 0.00 0.00 179.01 180.24 1a9x n PHE 4111N -4.60 0.40 -3.53 0.92 3.01 -0.93 -4.98 117.46 107.76 1a9x n PHE 4111Ca 0.18 -0.83 -0.19 0.00 1.01 0.00 0.00 57.45 57.63 1a9x n PHE 4111Cb 0.35 -0.18 0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1a9x n PHE 4111CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a9x n GLY 4112N -0.73 -0.39 3.57 1.37 0.00 -0.27 -4.91 105.19 103.83 1a9x n GLY 4112Ca 0.15 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1a9x n GLY 4112CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4113N -3.48 5.16 0.02 1.61 1.01 0.52 -4.83 120.40 120.41 1a9x s VAL 4113Ca 0.03 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 1a9x s VAL 4113Cb -0.01 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1a9x s VAL 4113CO 0.76 0.01 0.71 -0.89 0.00 0.00 0.00 175.10 175.69 1a9x s THR 4114N 2.07 4.81 -0.48 3.92 2.01 0.55 -4.77 115.64 123.75 1a9x s THR 4114Ca 0.14 1.50 -0.24 0.00 0.31 0.00 0.00 61.69 63.40 1a9x s THR 4114Cb -0.16 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1a9x s THR 4114CO 0.11 0.37 0.84 -0.32 -0.69 0.00 0.00 174.62 174.93 1a9x s MET 4115N -0.01 3.40 0.35 4.92 1.75 -1.26 0.73 119.30 129.18 1a9x s MET 4115Ca 0.36 -0.12 0.08 0.00 -1.25 0.00 0.00 55.69 54.76 1a9x s MET 4115Cb -0.20 -3.97 -0.03 0.00 2.84 0.00 0.00 34.83 33.48 1a9x s MET 4115CO 0.21 -1.22 0.27 0.96 -0.65 0.00 0.00 175.02 174.59 1a9x s ILE 4116N 3.49 3.33 0.00 10.11 -4.36 -0.82 -4.62 121.20 128.33 1a9x s ILE 4116Ca 0.31 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 1a9x s ILE 4116Cb -0.12 -3.12 0.00 0.00 1.25 0.00 0.00 42.46 40.47 1a9x s ILE 4116CO 0.22 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1a9x n GLY 4117N -1.35 2.15 3.14 6.27 0.00 -1.26 -4.20 105.19 109.94 1a9x n GLY 4117Ca -0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1a9x n GLY 4117CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 4118N 0.00 -0.68 0.52 4.61 0.00 -1.26 -3.50 121.76 121.45 1a9x s ALA 4118Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 1a9x s ALA 4118Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1a9x s ALA 4118CO 0.00 -0.16 0.90 0.95 0.00 0.00 0.00 175.76 177.45 1a9x s THR 4119N 0.54 4.76 0.34 0.00 -4.23 -1.26 -4.87 115.64 110.92 1a9x s THR 4119Ca -0.03 0.66 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 1a9x s THR 4119Cb -0.05 -3.82 0.32 0.00 1.34 0.00 0.00 72.50 70.29 1a9x s THR 4119CO -0.03 -0.88 1.85 0.00 -0.54 0.00 0.00 174.62 175.02 1a9x h ALA 4120N 0.30 1.79 -0.12 3.99 0.00 -1.99 -0.43 119.26 122.81 1a9x h ALA 4120Ca -0.46 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1a9x h ALA 4120Cb 1.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 4120CO 0.62 -0.06 -0.66 0.22 0.00 0.00 0.00 179.25 179.38 1a9x h ASP 4121N 0.73 0.53 -0.43 0.00 3.58 -1.97 -2.24 116.42 116.62 1a9x h ASP 4121Ca 0.48 -0.32 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 1a9x h ASP 4121Cb 0.74 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1a9x h ASP 4121CO -0.24 1.05 -0.20 0.00 -2.88 0.00 0.00 179.24 176.97 1a9x h ALA 4122N 0.95 0.61 -0.77 -0.78 0.00 -1.32 -0.69 119.26 117.26 1a9x h ALA 4122Ca -0.02 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1a9x h ALA 4122Cb 1.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1a9x h ALA 4122CO 0.12 0.57 0.51 0.82 0.00 0.00 0.00 179.25 181.27 1a9x h ILE 4123N 0.73 1.15 0.00 0.00 2.04 -1.17 -1.08 117.51 119.18 1a9x h ILE 4123Ca 0.10 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1a9x h ILE 4123Cb 0.77 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1a9x h ILE 4123CO 0.06 0.18 -0.66 -0.78 0.00 0.00 0.00 178.15 176.95 1a9x h ASP 4124N 0.97 0.00 -0.19 1.72 1.82 -1.21 0.36 116.42 119.90 1a9x h ASP 4124Ca 0.30 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.85 1a9x h ASP 4124Cb -0.01 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 1a9x h ASP 4124CO -0.08 0.66 -0.17 0.50 -1.61 0.00 0.00 179.24 178.55 1a9x h LYS 4125N 0.00 0.60 0.08 0.28 3.64 0.09 0.28 116.57 121.54 1a9x h LYS 4125Ca -0.01 -0.20 -0.33 0.00 -1.27 0.00 0.00 60.65 58.84 1a9x h LYS 4125Cb 1.45 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1a9x h LYS 4125CO 0.09 0.74 -1.84 0.00 -2.27 0.00 0.00 179.45 176.17 1a9x h ALA 4126N 1.28 0.54 -0.03 5.00 0.00 -1.24 -2.99 119.26 121.82 1a9x h ALA 4126Ca 0.09 -1.39 -0.21 0.00 0.00 0.00 0.00 54.91 53.40 1a9x h ALA 4126Cb 0.60 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1a9x h ALA 4126CO 0.04 1.39 -0.87 0.93 0.00 0.00 0.00 179.25 180.75 1a9x h GLU 4127N 0.05 0.42 -6.48 0.00 4.39 -0.89 -3.42 114.58 108.65 1a9x h GLU 4127Ca -0.35 -0.41 -0.55 0.00 0.34 0.00 0.00 59.36 58.38 1a9x h GLU 4127Cb 2.03 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.72 1a9x h GLU 4127CO 0.10 1.07 1.07 0.34 -1.16 0.00 0.00 179.01 180.42 1a9x s ASP 4128N -7.04 6.25 0.54 1.42 -1.08 0.97 -2.93 116.67 114.80 1a9x s ASP 4128Ca -0.06 0.44 0.23 0.00 -0.52 0.00 0.00 52.55 52.64 1a9x s ASP 4128Cb 0.09 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.44 1a9x s ASP 4128CO 0.86 -1.58 2.08 0.03 0.52 0.00 0.00 175.17 177.08 1a9x h ARG 4129N 10.72 0.00 -0.13 4.34 3.08 -1.87 -1.88 114.38 128.65 1a9x h ARG 4129Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1a9x h ARG 4129Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1a9x h ARG 4129CO 1.15 0.00 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.88 1a9x h ARG 4130N 0.00 0.28 -0.60 0.04 2.43 -1.93 -2.74 114.38 111.86 1a9x h ARG 4130Ca 0.12 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1a9x h ARG 4130Cb 0.53 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1a9x h ARG 4130CO -0.00 0.64 0.36 0.00 -1.51 0.00 0.00 179.97 179.46 1a9x h ARG 4131N -0.07 0.82 -0.45 0.20 3.08 -1.69 -2.32 114.38 113.94 1a9x h ARG 4131Ca 0.03 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1a9x h ARG 4131Cb 0.57 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1a9x h ARG 4131CO 0.02 0.59 0.23 0.35 -1.07 0.00 0.00 179.97 180.09 1a9x h PHE 4132N 0.81 0.43 -0.29 3.04 3.57 -1.20 0.16 116.94 123.47 1a9x h PHE 4132Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1a9x h PHE 4132Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1a9x h PHE 4132CO -0.02 0.22 0.07 0.22 -2.23 0.00 0.00 178.31 176.57 1a9x h ASP 4133N 0.46 0.37 -0.19 0.41 3.58 -1.26 -0.06 116.42 119.74 1a9x h ASP 4133Ca 0.19 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1a9x h ASP 4133Cb 0.09 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1a9x h ASP 4133CO -0.13 0.38 -0.05 0.58 -2.88 0.00 0.00 179.24 177.13 1a9x h VAL 4134N 0.41 1.29 -0.60 2.25 2.07 -0.61 -2.52 116.25 118.54 1a9x h VAL 4134Ca 0.10 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1a9x h VAL 4134Cb 0.16 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1a9x h VAL 4134CO -0.00 0.31 0.35 0.00 0.02 0.00 0.00 177.57 178.25 1a9x h ALA 4135N 0.72 1.49 -0.27 1.67 0.00 0.30 -0.05 119.26 123.13 1a9x h ALA 4135Ca 0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1a9x h ALA 4135Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a9x h ALA 4135CO 0.02 0.44 -0.37 0.52 0.00 0.00 0.00 179.25 179.86 1a9x h MET 4136N 0.83 0.61 -0.73 0.00 2.07 -0.95 -1.74 114.93 115.01 1a9x h MET 4136Ca 0.22 -0.30 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 1a9x h MET 4136Cb -0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.68 1a9x h MET 4136CO -0.04 0.89 0.32 -0.22 1.07 0.00 0.00 176.91 178.92 1a9x h LYS 4137N 0.51 1.08 -0.97 1.72 3.64 -0.86 -1.87 116.57 119.82 1a9x h LYS 4137Ca 0.05 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1a9x h LYS 4137Cb 0.88 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 1a9x h LYS 4137CO 0.08 0.87 0.64 -0.22 -2.27 0.00 0.00 179.45 178.55 1a9x h LYS 4138N 1.04 1.23 -0.64 1.90 3.64 -0.57 -2.90 116.57 120.27 1a9x h LYS 4138Ca 0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1a9x h LYS 4138Cb 0.18 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1a9x h LYS 4138CO -0.02 0.81 0.00 0.44 -2.27 0.00 0.00 179.45 178.41 1a9x n ILE 4139N -4.42 0.94 -0.89 2.00 -5.35 -0.70 -4.96 119.36 105.98 1a9x n ILE 4139Ca 0.12 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1a9x n ILE 4139Cb 0.06 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1a9x n ILE 4139CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 4140N 1.46 0.54 3.89 3.28 0.00 -0.83 -5.06 105.19 108.48 1a9x n GLY 4140Ca 0.21 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 4140CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 4141N 0.00 4.38 0.15 0.99 1.43 -0.77 -5.03 118.68 119.84 1a9x s LEU 4141Ca 0.00 0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 1a9x s LEU 4141Cb 0.00 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 1a9x s LEU 4141CO 0.00 0.35 0.61 -0.70 0.23 0.00 0.00 176.35 176.83 1a9x s GLU 4142N -1.41 4.12 0.41 1.70 2.12 -1.26 -4.21 118.70 120.16 1a9x s GLU 4142Ca 0.20 0.66 0.07 0.00 0.36 0.00 0.00 54.97 56.27 1a9x s GLU 4142Cb -0.12 -2.99 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 1a9x s GLU 4142CO 0.10 0.49 0.01 0.95 -0.54 0.00 0.00 175.26 176.27 1a9x s THR 4143N -1.40 1.97 0.64 -1.70 -4.23 -1.26 -0.82 115.64 108.84 1a9x s THR 4143Ca 0.37 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.76 1a9x s THR 4143Cb -0.17 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1a9x s THR 4143CO 0.20 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.33 1a9x s ALA 4144N -2.73 2.78 0.14 3.99 0.00 -1.26 -4.95 121.76 119.73 1a9x s ALA 4144Ca 0.35 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 1a9x s ALA 4144Cb 0.10 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1a9x s ALA 4144CO 0.18 -0.96 1.50 0.50 0.00 0.00 0.00 175.76 176.98 1a9x s ARG 4145N -4.71 4.25 0.10 0.00 3.52 -1.26 -4.84 118.95 116.01 1a9x s ARG 4145Ca 0.59 2.25 -0.03 0.00 -0.13 0.00 0.00 55.73 58.41 1a9x s ARG 4145Cb -0.14 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1a9x s ARG 4145CO 0.48 -0.55 0.20 -1.13 -0.81 0.00 0.00 175.30 173.49 1a9x n SER 4146N 4.01 -0.57 -3.59 -2.12 3.41 -1.26 -0.34 113.62 113.16 1a9x n SER 4146Ca 0.13 -1.43 -0.14 0.00 -0.26 0.00 0.00 58.87 57.17 1a9x n SER 4146Cb 0.40 0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 65.26 1a9x n SER 4146CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a9x s GLY 4147N -1.55 -0.41 0.13 5.00 0.00 0.78 -4.97 107.32 106.30 1a9x s GLY 4147Ca 0.05 0.61 -0.15 0.00 0.00 0.00 0.00 44.72 45.22 1a9x s GLY 4147CO 0.03 0.31 0.55 -0.42 0.00 0.00 0.00 173.10 173.58 1a9x s ILE 4148N -2.29 4.83 -0.01 0.90 -1.09 -1.26 -0.55 121.20 121.73 1a9x s ILE 4148Ca -0.06 0.91 0.01 0.00 -2.23 0.00 0.00 60.65 59.28 1a9x s ILE 4148Cb -0.01 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1a9x s ILE 4148CO -0.00 0.31 -0.01 0.00 -1.23 0.00 0.00 174.94 174.00 1a9x s ALA 4149N -1.39 0.24 -0.04 9.38 0.00 0.62 -4.84 121.76 125.73 1a9x s ALA 4149Ca 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1a9x s ALA 4149Cb -0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1a9x s ALA 4149CO 0.19 0.01 0.04 0.72 0.00 0.00 0.00 175.76 176.71 1a9x n HIS 4150N 3.43 0.00 -3.97 0.00 8.25 -1.26 -0.62 115.22 121.06 1a9x n HIS 4150Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1a9x n HIS 4150Cb 0.56 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 1a9x n HIS 4150CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a9x s THR 4151N -1.24 0.13 0.23 1.59 -4.23 -1.26 -4.89 115.64 105.97 1a9x s THR 4151Ca 0.00 -1.45 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1a9x s THR 4151Cb 0.01 -1.60 0.19 0.00 1.34 0.00 0.00 72.50 72.44 1a9x s THR 4151CO 0.04 -0.60 1.88 -0.03 -0.54 0.00 0.00 174.62 175.36 1a9x h MET 4152N 2.79 1.02 0.19 3.99 4.05 -1.96 0.19 114.93 125.19 1a9x h MET 4152Ca -0.34 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.02 1a9x h MET 4152Cb 1.19 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1a9x h MET 4152CO 0.57 0.67 -0.10 1.05 0.23 0.00 0.00 176.91 179.33 1a9x h GLU 4153N 1.05 -0.26 -0.43 0.39 4.11 -2.01 -1.44 114.58 115.99 1a9x h GLU 4153Ca 0.33 0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.81 1a9x h GLU 4153Cb -0.02 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1a9x h GLU 4153CO -0.11 -0.17 0.29 0.93 0.07 0.00 0.00 179.01 180.02 1a9x h GLU 4154N -0.27 0.45 0.78 1.06 5.08 -1.72 -2.97 114.58 116.99 1a9x h GLU 4154Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1a9x h GLU 4154Cb 0.22 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1a9x h GLU 4154CO 0.03 0.30 -0.39 0.00 -1.00 0.00 0.00 179.01 177.94 1a9x h ALA 4155N 1.75 -1.08 -1.30 3.43 0.00 0.37 -2.50 119.26 119.93 1a9x h ALA 4155Ca 0.18 -0.23 0.38 0.00 0.00 0.00 0.00 54.91 55.23 1a9x h ALA 4155Cb 0.13 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1a9x h ALA 4155CO -0.04 -1.11 0.93 -0.07 0.00 0.00 0.00 179.25 178.96 1a9x h LEU 4156N -1.07 0.01 -0.51 0.00 3.38 -1.23 0.70 115.31 116.59 1a9x h LEU 4156Ca -0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1a9x h LEU 4156Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1a9x h LEU 4156CO 0.16 0.00 -0.72 0.00 0.09 0.00 0.00 178.44 177.97 1a9x h ALA 4157N 1.36 0.73 -0.13 1.53 0.00 -1.36 -0.49 119.26 120.90 1a9x h ALA 4157Ca 0.62 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1a9x h ALA 4157Cb 2.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1a9x h ALA 4157CO -0.01 0.83 -0.28 0.28 0.00 0.00 0.00 179.25 180.06 1a9x h VAL 4158N 0.11 1.37 -0.64 0.00 2.07 0.56 -2.22 116.25 117.50 1a9x h VAL 4158Ca -0.02 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1a9x h VAL 4158Cb 1.28 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 1a9x h VAL 4158CO 0.11 0.46 0.35 0.00 0.02 0.00 0.00 177.57 178.50 1a9x h ALA 4159N 0.53 0.86 -0.09 1.67 0.00 -1.25 0.63 119.26 121.61 1a9x h ALA 4159Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 4159Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a9x h ALA 4159CO 0.06 0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.35 1a9x h ALA 4160N 1.35 1.88 0.11 0.00 0.00 -1.04 0.93 119.26 122.49 1a9x h ALA 4160Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 4160Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a9x h ALA 4160CO -0.19 0.10 -0.05 0.22 0.00 0.00 0.00 179.25 179.32 1a9x h ASP 4161N 0.12 -0.13 0.33 0.00 3.58 0.31 -3.39 116.42 117.24 1a9x h ASP 4161Ca 0.03 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.24 1a9x h ASP 4161Cb 0.04 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.13 1a9x h ASP 4161CO -0.00 0.08 -1.04 -0.37 -2.88 0.00 0.00 179.24 175.03 1a9x h VAL 4162N -0.50 1.39 0.00 2.25 -1.51 -0.01 -3.50 116.25 114.37 1a9x h VAL 4162Ca -0.02 -2.53 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1a9x h VAL 4162Cb 0.12 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1a9x h VAL 4162CO 0.03 0.76 0.00 0.61 -1.23 0.00 0.00 177.57 177.73 1a9x n GLY 4163N 1.11 -0.45 3.89 5.19 0.00 0.32 -4.84 105.19 110.41 1a9x n GLY 4163Ca -0.08 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1a9x n GLY 4163CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 4164N -1.27 3.57 0.66 1.61 0.08 -1.26 -3.33 117.98 118.05 1a9x s PHE 4164Ca 0.00 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 1a9x s PHE 4164Cb 0.00 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1a9x s PHE 4164CO 0.00 0.67 1.06 -1.25 -0.10 0.00 0.00 175.22 175.60 1a9x s PRO 4165N -1.59 3.27 0.08 0.24 0.04 -1.26 -5.04 135.00 130.74 1a9x s PRO 4165Ca 0.23 0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1a9x s PRO 4165Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1a9x s PRO 4165CO 0.13 -0.78 -0.06 0.00 0.04 0.00 0.00 177.00 176.33 1a9x s ILE 4167N -3.05 4.21 -0.17 0.00 1.09 -0.38 -0.21 121.20 122.70 1a9x s ILE 4167Ca 0.05 -0.26 -0.04 0.00 -1.10 0.00 0.00 60.65 59.30 1a9x s ILE 4167Cb 0.01 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.56 1a9x s ILE 4167CO -0.04 0.53 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.68 1a9x s ILE 4168N -0.14 3.99 -0.22 2.92 1.09 -0.27 -0.30 121.20 128.28 1a9x s ILE 4168Ca 0.04 -0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.23 1a9x s ILE 4168Cb -0.13 -2.76 0.07 0.00 -1.06 0.00 0.00 42.46 38.58 1a9x s ILE 4168CO 0.02 0.48 0.09 -0.13 -0.10 0.00 0.00 174.94 175.30 1a9x s ARG 4169N 0.46 0.24 0.83 2.79 0.52 0.32 -2.63 118.95 121.48 1a9x s ARG 4169Ca -0.03 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 1a9x s ARG 4169Cb -0.14 -1.70 0.09 0.00 0.52 0.00 0.00 34.95 33.72 1a9x s ARG 4169CO 0.02 -0.78 1.12 -2.14 0.02 0.00 0.00 175.30 173.54 1a9x s PRO 4170N 2.05 1.74 0.19 3.54 0.02 -1.26 0.85 135.00 142.13 1a9x s PRO 4170Ca 0.04 1.35 -0.05 0.00 0.02 0.00 0.00 61.00 62.35 1a9x s PRO 4170Cb -0.16 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1a9x s PRO 4170CO -0.18 -2.06 0.45 -1.12 -0.33 0.00 0.00 177.00 173.76 1a9x s SER 4171N -3.05 6.50 -1.09 2.53 0.01 0.85 -4.26 113.70 115.20 1a9x s SER 4171Ca 0.64 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1a9x s SER 4171Cb -0.20 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1a9x s SER 4171CO 0.56 -0.03 0.00 0.49 0.41 0.00 0.00 173.24 174.68 1a9x n PHE 4172N -0.21 -0.54 -4.07 2.43 3.72 -1.15 -3.61 117.46 114.03 1a9x n PHE 4172Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 1a9x n PHE 4172Cb 0.52 -2.74 -0.10 0.00 -0.94 0.00 0.00 39.48 36.22 1a9x n PHE 4172CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a9x s THR 4173N -2.61 0.27 0.23 4.37 -4.23 -1.26 -4.33 115.64 108.07 1a9x s THR 4173Ca 0.00 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1a9x s THR 4173Cb 0.00 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 1a9x s THR 4173CO 0.00 -0.83 0.19 0.00 -0.54 0.00 0.00 174.62 173.45 1a9x s MET 4174N -3.18 1.32 -1.32 3.99 0.23 -1.26 -4.81 119.30 114.27 1a9x s MET 4174Ca 0.01 -1.65 0.00 0.00 -1.03 0.00 0.00 55.69 53.02 1a9x s MET 4174Cb 0.02 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.62 1a9x s MET 4174CO -0.07 -0.46 0.00 0.41 -2.03 0.00 0.00 175.02 172.88 1a9x n GLY 4175N -0.33 1.05 2.52 3.16 0.00 -1.26 -2.09 105.19 108.24 1a9x n GLY 4175Ca 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 4175CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4176N -1.31 0.84 3.67 -0.02 0.00 -1.26 -1.20 105.19 105.92 1a9x n GLY 4176Ca -0.14 -0.20 -0.48 0.00 0.00 0.00 0.00 46.02 45.20 1a9x n GLY 4176CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9x n SER 4177N -0.43 3.15 0.00 1.61 7.64 -0.89 -0.90 113.62 123.80 1a9x n SER 4177Ca -0.07 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1a9x n SER 4177Cb 0.39 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1a9x n SER 4177CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 4178N 3.92 1.65 1.93 0.23 0.00 -1.26 -4.71 105.19 106.96 1a9x n GLY 4178Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1a9x n GLY 4178CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4179N -2.00 2.72 0.00 -0.02 0.00 -0.08 -3.05 105.19 102.77 1a9x n GLY 4179Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1a9x n GLY 4179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4180N 1.62 -2.09 3.45 -0.02 0.00 -1.08 -4.37 105.19 102.70 1a9x n GLY 4180Ca 0.01 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1a9x n GLY 4180CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 4181N -2.43 4.49 -0.31 -0.61 1.01 -1.26 -1.11 121.20 120.98 1a9x s ILE 4181Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 1a9x s ILE 4181Cb 0.00 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1a9x s ILE 4181CO 0.00 0.22 0.53 0.00 0.00 0.00 0.00 174.94 175.69 1a9x s ALA 4182N 1.62 3.53 -0.20 9.38 0.00 0.70 -4.92 121.76 131.88 1a9x s ALA 4182Ca 0.06 -0.79 0.21 0.00 0.00 0.00 0.00 51.96 51.44 1a9x s ALA 4182Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1a9x s ALA 4182CO 0.05 -1.00 0.95 0.66 0.00 0.00 0.00 175.76 176.43 1a9x n TYR 4183N 5.68 0.90 -3.71 0.00 4.01 -1.26 -1.51 117.16 121.27 1a9x n TYR 4183Ca -0.04 0.27 -0.10 0.00 -0.16 0.00 0.00 57.90 57.87 1a9x n TYR 4183Cb 0.49 -0.96 -0.05 0.00 -0.31 0.00 0.00 39.34 38.52 1a9x n TYR 4183CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a9x s ASN 4184N -5.39 -0.18 0.54 7.72 2.20 -1.26 -4.72 114.94 113.85 1a9x s ASN 4184Ca -0.02 -0.44 0.31 0.00 -0.94 0.00 0.00 52.86 51.77 1a9x s ASN 4184Cb 0.10 0.48 1.48 0.00 -2.00 0.00 0.00 41.25 41.30 1a9x s ASN 4184CO 0.80 -0.89 1.90 -0.09 -2.94 0.00 0.00 177.10 175.88 1a9x h ARG 4185N 2.38 0.00 0.68 3.55 2.43 -1.98 -0.14 114.38 121.30 1a9x h ARG 4185Ca -0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 1a9x h ARG 4185Cb 1.25 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1a9x h ARG 4185CO 0.46 0.00 -0.32 1.49 -1.51 0.00 0.00 179.97 180.08 1a9x h GLU 4186N 0.00 -0.88 -0.77 0.20 4.81 -2.00 -1.78 114.58 114.17 1a9x h GLU 4186Ca 0.40 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.85 1a9x h GLU 4186Cb 1.63 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 31.11 1a9x h GLU 4186CO -0.00 -0.58 0.29 0.93 -0.73 0.00 0.00 179.01 178.91 1a9x h GLU 4187N -1.01 0.40 -0.26 1.92 5.08 -1.85 -1.77 114.58 117.08 1a9x h GLU 4187Ca -0.09 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 4187Cb 0.70 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1a9x h GLU 4187CO 0.15 0.26 -0.17 0.35 -1.00 0.00 0.00 179.01 178.61 1a9x h PHE 4188N 0.41 -0.43 -0.58 4.33 3.57 -0.96 -0.60 116.94 122.68 1a9x h PHE 4188Ca 0.43 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.91 1a9x h PHE 4188Cb 0.69 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1a9x h PHE 4188CO -0.18 -0.24 0.14 0.93 -2.23 0.00 0.00 178.31 176.72 1a9x h GLU 4189N -0.15 0.91 0.07 1.11 5.08 -0.44 0.14 114.58 121.29 1a9x h GLU 4189Ca 0.14 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1a9x h GLU 4189Cb 0.37 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1a9x h GLU 4189CO -0.35 0.81 -0.03 1.49 -1.00 0.00 0.00 179.01 179.93 1a9x h GLU 4190N 0.87 -0.09 0.07 2.33 4.81 -1.02 -0.99 114.58 120.55 1a9x h GLU 4190Ca 0.19 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1a9x h GLU 4190Cb 0.32 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1a9x h GLU 4190CO 0.00 0.05 -0.03 0.82 -0.73 0.00 0.00 179.01 179.11 1a9x h ILE 4191N -0.21 0.96 0.16 2.32 2.04 -0.96 -1.05 117.51 120.77 1a9x h ILE 4191Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1a9x h ILE 4191Cb 0.18 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1a9x h ILE 4191CO 0.02 0.03 -0.13 0.00 0.00 0.00 0.00 178.15 178.07 1a9x h ALA 4193N 0.53 -0.11 0.01 0.00 0.00 -1.16 0.26 119.26 118.79 1a9x h ALA 4193Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 4193Cb 0.27 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1a9x h ALA 4193CO -0.01 -0.66 -0.34 -0.09 0.00 0.00 0.00 179.25 178.15 1a9x h ARG 4194N -0.24 -0.48 -0.23 0.00 2.43 -0.86 -2.65 114.38 112.36 1a9x h ARG 4194Ca 0.14 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1a9x h ARG 4194Cb 0.45 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1a9x h ARG 4194CO -0.38 -0.32 -0.33 0.78 -1.51 0.00 0.00 179.97 178.20 1a9x h GLY 4195N -0.50 0.52 1.01 2.80 0.00 -0.69 -1.75 103.07 104.46 1a9x h GLY 4195Ca 0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1a9x h GLY 4195CO -0.27 0.43 0.28 1.41 0.00 0.00 0.00 176.54 178.39 1a9x h LEU 4196N 0.41 0.92 -0.41 3.11 3.38 -0.39 -0.63 115.31 121.69 1a9x h LEU 4196Ca 0.05 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 1a9x h LEU 4196Cb 0.78 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a9x h LEU 4196CO 0.06 0.83 -0.51 -0.78 0.09 0.00 0.00 178.44 178.13 1a9x h ASP 4197N 0.95 0.84 0.03 -0.43 3.58 -1.33 -3.27 116.42 116.79 1a9x h ASP 4197Ca 0.23 -0.43 -0.20 0.00 0.42 0.00 0.00 57.03 57.04 1a9x h ASP 4197Cb 0.19 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1a9x h ASP 4197CO -0.02 1.20 -0.74 0.25 -2.88 0.00 0.00 179.24 177.04 1a9x h LEU 4198N 0.60 0.74 -9.24 2.28 5.85 -1.21 -3.45 115.31 110.88 1a9x h LEU 4198Ca 0.02 -0.48 -0.68 0.00 0.84 0.00 0.00 57.88 57.59 1a9x h LEU 4198Cb 1.09 -0.22 0.03 0.00 0.37 0.00 0.00 40.66 41.93 1a9x h LEU 4198CO 0.11 1.25 0.87 -0.24 -0.34 0.00 0.00 178.44 180.08 1a9x n SER 4199N -3.90 2.61 0.19 1.25 2.88 -0.26 -4.84 113.62 111.56 1a9x n SER 4199Ca -0.06 1.06 0.06 0.00 -1.33 0.00 0.00 58.87 58.60 1a9x n SER 4199Cb 0.72 -1.24 0.54 0.00 -0.75 0.00 0.00 64.21 63.48 1a9x n SER 4199CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1a9x h PRO 4200N 7.16 0.12 -0.32 -1.46 0.11 -1.75 -1.52 132.00 134.33 1a9x h PRO 4200Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a9x h PRO 4200Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1a9x h PRO 4200CO 0.92 0.15 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 1a9x n THR 4201N -4.44 0.41 -3.83 -1.15 -2.24 -1.26 -4.97 114.28 96.81 1a9x n THR 4201Ca -0.02 -0.65 -0.24 0.00 -2.27 0.00 0.00 64.05 60.87 1a9x n THR 4201Cb 0.15 0.90 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 1a9x n THR 4201CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a9x n LYS 4202N 1.26 -4.29 -3.80 -0.78 4.81 -0.57 -4.98 118.16 109.82 1a9x n LYS 4202Ca 0.18 0.53 -0.13 0.00 -0.87 0.00 0.00 58.31 58.03 1a9x n LYS 4202Cb 0.55 -4.95 -0.11 0.00 0.02 0.00 0.00 35.03 30.55 1a9x n LYS 4202CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1a9x s GLU 4203N -6.27 0.37 0.18 1.64 2.12 -1.26 -4.47 118.70 111.02 1a9x s GLU 4203Ca 0.07 0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.62 1a9x s GLU 4203Cb -0.03 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1a9x s GLU 4203CO 0.85 -0.07 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.82 1a9x s LEU 4204N -0.32 2.49 -0.20 2.70 1.43 0.21 -0.10 118.68 124.89 1a9x s LEU 4204Ca -0.04 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 1a9x s LEU 4204Cb -0.03 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.45 1a9x s LEU 4204CO 0.01 -0.09 -0.14 -0.22 0.23 0.00 0.00 176.35 176.14 1a9x s LEU 4205N -2.92 2.45 -0.21 1.79 2.96 0.25 -0.27 118.68 122.72 1a9x s LEU 4205Ca 0.18 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1a9x s LEU 4205Cb -0.04 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1a9x s LEU 4205CO 0.07 -0.01 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.41 1a9x s ILE 4206N 1.35 3.49 0.33 6.68 1.01 0.29 0.12 121.20 134.46 1a9x s ILE 4206Ca 0.05 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1a9x s ILE 4206Cb -0.14 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 1a9x s ILE 4206CO -0.09 0.44 -0.07 -1.81 0.00 0.00 0.00 174.94 173.40 1a9x s ASP 4207N 1.23 3.41 0.51 3.58 1.11 0.59 -0.16 116.67 126.95 1a9x s ASP 4207Ca 0.03 -1.21 -0.18 0.00 0.18 0.00 0.00 52.55 51.37 1a9x s ASP 4207Cb -0.14 -0.29 -0.08 0.00 1.07 0.00 0.00 42.92 43.48 1a9x s ASP 4207CO -0.01 -0.27 1.00 -1.83 1.18 0.00 0.00 175.17 175.24 1a9x s GLU 4208N -3.66 3.88 0.06 8.23 -1.05 0.54 -1.24 118.70 125.46 1a9x s GLU 4208Ca 0.32 1.08 -0.31 0.00 -0.15 0.00 0.00 54.97 55.91 1a9x s GLU 4208Cb 0.03 -2.12 -0.07 0.00 -0.44 0.00 0.00 34.13 31.53 1a9x s GLU 4208CO 0.15 -0.33 1.43 0.45 0.95 0.00 0.00 175.26 177.90 1a9x s SER 4209N -2.72 6.81 -0.09 0.83 0.15 -1.25 -4.73 113.70 112.70 1a9x s SER 4209Ca 0.61 2.26 0.13 0.00 0.70 0.00 0.00 55.95 59.65 1a9x s SER 4209Cb -0.11 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 61.82 1a9x s SER 4209CO 0.27 -0.71 1.09 0.18 1.20 0.00 0.00 173.24 175.27 1a9x n LEU 4210N 4.73 1.84 -4.59 3.45 4.77 -1.26 -5.07 117.00 120.88 1a9x n LEU 4210Ca 0.13 -2.51 -0.48 0.00 -0.03 0.00 0.00 56.01 53.12 1a9x n LEU 4210Cb 0.43 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1a9x n LEU 4210CO 0.59 0.58 0.74 -0.38 -1.33 0.00 0.00 177.39 177.59 1a9x n ILE 4211N -1.04 0.95 0.00 -0.08 5.41 -1.26 -1.46 119.36 121.88 1a9x n ILE 4211Ca 0.11 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1a9x n ILE 4211Cb 0.60 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1a9x n ILE 4211CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 4212N 1.99 3.22 3.77 7.39 0.00 -0.39 -4.92 105.19 116.26 1a9x n GLY 4212Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1a9x n GLY 4212CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a9x s TRP 4213N -2.48 2.62 0.32 1.61 0.52 -0.53 -4.66 118.94 116.34 1a9x s TRP 4213Ca 0.00 1.18 -0.28 0.00 0.02 0.00 0.00 56.10 57.02 1a9x s TRP 4213Cb 0.00 -3.15 -0.10 0.00 -1.15 0.00 0.00 33.47 29.08 1a9x s TRP 4213CO 0.00 -2.03 1.18 0.15 0.02 0.00 0.00 176.95 176.27 1a9x s LYS 4214N -5.07 4.44 -0.17 4.98 1.02 -0.14 -0.92 119.74 123.87 1a9x s LYS 4214Ca 0.62 1.96 -0.02 0.00 0.02 0.00 0.00 55.97 58.54 1a9x s LYS 4214Cb -0.16 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1a9x s LYS 4214CO 0.55 -0.02 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.87 1a9x s GLU 4215N -1.72 3.39 0.15 1.68 2.12 -1.26 -0.43 118.70 122.62 1a9x s GLU 4215Ca 0.48 -0.65 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1a9x s GLU 4215Cb -0.34 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1a9x s GLU 4215CO 0.45 0.02 -0.15 0.71 -0.54 0.00 0.00 175.26 175.75 1a9x s TYR 4216N 0.87 1.54 0.06 5.30 2.02 -0.50 -0.73 117.35 125.90 1a9x s TYR 4216Ca -0.02 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1a9x s TYR 4216Cb -0.15 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1a9x s TYR 4216CO 0.01 0.22 -0.07 -1.21 -1.57 0.00 0.00 175.55 172.93 1a9x s GLU 4217N -2.96 0.59 -0.02 -0.62 2.02 -0.81 -0.47 118.70 116.43 1a9x s GLU 4217Ca 0.13 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1a9x s GLU 4217Cb -0.04 -0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.03 1a9x s GLU 4217CO 0.04 0.01 0.01 -1.64 0.02 0.00 0.00 175.26 173.70 1a9x s MET 4218N -2.35 0.06 -0.29 1.61 -1.94 -0.21 -1.23 119.30 114.96 1a9x s MET 4218Ca -0.04 0.11 -0.15 0.00 -1.71 0.00 0.00 55.69 53.90 1a9x s MET 4218Cb -0.05 -0.26 -0.03 0.00 2.01 0.00 0.00 34.83 36.51 1a9x s MET 4218CO -0.02 -0.12 0.37 -1.21 -0.01 0.00 0.00 175.02 174.03 1a9x s GLU 4219N 0.79 3.91 0.04 2.03 0.41 -0.57 -0.56 118.70 124.75 1a9x s GLU 4219Ca -0.07 -0.07 0.07 0.00 -0.41 0.00 0.00 54.97 54.49 1a9x s GLU 4219Cb -0.10 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 1a9x s GLU 4219CO -0.02 -0.33 -0.17 0.08 -0.49 0.00 0.00 175.26 174.33 1a9x s VAL 4220N 2.06 2.90 -0.01 2.63 1.01 0.03 -0.77 120.40 128.24 1a9x s VAL 4220Ca 0.14 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1a9x s VAL 4220Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1a9x s VAL 4220CO 0.10 0.34 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1a9x s VAL 4221N -0.94 1.20 -0.00 2.92 1.01 0.17 -2.02 120.40 122.75 1a9x s VAL 4221Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1a9x s VAL 4221Cb -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1a9x s VAL 4221CO 0.06 0.34 -0.00 -0.60 0.00 0.00 0.00 175.10 174.89 1a9x s ARG 4222N -0.31 0.05 0.54 2.72 3.52 -0.84 0.54 118.95 125.17 1a9x s ARG 4222Ca 0.05 0.00 0.05 0.00 -0.13 0.00 0.00 55.73 55.71 1a9x s ARG 4222Cb -0.06 -0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1a9x s ARG 4222CO -0.00 -0.01 0.38 0.16 -0.81 0.00 0.00 175.30 175.02 1a9x s ASP 4223N 0.15 4.62 0.59 -2.12 1.47 0.87 -1.58 116.67 120.67 1a9x s ASP 4223Ca -0.01 -1.24 0.29 0.00 1.18 0.00 0.00 52.55 52.77 1a9x s ASP 4223Cb -0.02 0.36 1.80 0.00 -0.34 0.00 0.00 42.92 44.72 1a9x s ASP 4223CO -0.00 -1.07 2.25 0.07 0.68 0.00 0.00 175.17 177.10 1a9x h LYS 4224N 0.80 0.00 -0.26 2.11 2.10 -1.80 -0.12 116.57 119.40 1a9x h LYS 4224Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1a9x h LYS 4224Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1a9x h LYS 4224CO 0.58 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 1a9x n ASN 4225N -3.88 1.53 -0.10 7.07 3.02 -1.26 -4.89 115.26 116.74 1a9x n ASN 4225Ca -0.03 -1.91 -0.01 0.00 -0.03 0.00 0.00 54.58 52.59 1a9x n ASN 4225Cb 0.08 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1a9x n ASN 4225CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a9x n ASP 4226N 0.30 -3.45 -4.75 6.41 2.03 -0.06 -5.00 116.55 112.04 1a9x n ASP 4226Ca 0.11 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 55.05 1a9x n ASP 4226Cb 0.26 -1.07 -0.04 0.00 -0.72 0.00 0.00 41.12 39.54 1a9x n ASP 4226CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1a9x s ASN 4227N -2.39 7.33 -0.03 1.67 0.01 -1.25 -4.81 114.94 115.47 1a9x s ASN 4227Ca 0.00 2.12 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 1a9x s ASN 4227Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1a9x s ASN 4227CO 0.00 -0.13 -0.04 0.00 -1.51 0.00 0.00 177.10 175.42 1a9x s ILE 4229N 0.79 1.39 -0.40 0.00 -4.36 0.19 -4.95 121.20 113.87 1a9x s ILE 4229Ca -0.10 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.23 1a9x s ILE 4229Cb -0.13 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.88 1a9x s ILE 4229CO -0.00 -0.52 0.34 -0.63 0.24 0.00 0.00 174.94 174.36 1a9x s ILE 4230N -2.57 5.21 0.08 8.37 -1.09 -1.26 0.45 121.20 130.39 1a9x s ILE 4230Ca 0.14 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 1a9x s ILE 4230Cb -0.02 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.68 1a9x s ILE 4230CO 0.03 -0.30 1.16 0.58 -1.23 0.00 0.00 174.94 175.18 1a9x h VAL 4231N 5.64 1.54 -1.84 2.92 2.07 -1.29 -3.39 116.25 121.91 1a9x h VAL 4231Ca -0.27 -3.21 -0.01 0.00 0.82 0.00 0.00 66.70 64.03 1a9x h VAL 4231Cb 1.12 2.85 -0.21 0.00 -1.52 0.00 0.00 31.29 33.53 1a9x h VAL 4231CO 0.74 0.91 0.31 0.00 0.02 0.00 0.00 177.57 179.54 1a9x s SER 4233N -0.84 4.15 -0.05 0.00 1.04 -1.26 -1.52 113.70 115.22 1a9x s SER 4233Ca -0.06 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.24 1a9x s SER 4233Cb -0.01 -0.99 -0.00 0.00 0.10 0.00 0.00 66.02 65.12 1a9x s SER 4233CO 0.05 0.33 -0.17 -0.63 0.98 0.00 0.00 173.24 173.80 1a9x s ILE 4234N -0.63 1.48 -0.19 -1.02 1.01 -0.37 -3.42 121.20 118.05 1a9x s ILE 4234Ca 0.09 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1a9x s ILE 4234Cb -0.11 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1a9x s ILE 4234CO 0.01 0.43 -0.01 -0.70 0.00 0.00 0.00 174.94 174.67 1a9x s GLU 4235N 0.17 3.60 0.37 2.79 2.12 0.12 -1.93 118.70 125.95 1a9x s GLU 4235Ca -0.07 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.48 1a9x s GLU 4235Cb -0.13 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1a9x s GLU 4235CO 0.03 0.03 1.02 -0.80 -0.54 0.00 0.00 175.26 175.00 1a9x s ASN 4236N 0.93 6.96 -0.12 -1.70 0.02 0.09 -0.87 114.94 120.26 1a9x s ASN 4236Ca 0.01 1.98 -0.28 0.00 -1.02 0.00 0.00 52.86 53.54 1a9x s ASN 4236Cb -0.14 -2.58 -0.26 0.00 0.02 0.00 0.00 41.25 38.28 1a9x s ASN 4236CO 0.02 -0.34 0.82 0.15 0.02 0.00 0.00 177.10 177.76 1a9x h PHE 4237N 2.74 0.05 -3.22 2.20 3.04 0.33 -3.44 116.94 118.64 1a9x h PHE 4237Ca -0.48 -0.03 -0.54 0.00 3.98 0.00 0.00 57.97 60.90 1a9x h PHE 4237Cb 1.21 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1a9x h PHE 4237CO 0.59 0.99 0.55 -0.51 -2.02 0.00 0.00 178.31 177.91 1a9x s ASP 4238N -6.24 7.14 1.35 0.41 1.01 -1.17 -4.45 116.67 114.71 1a9x s ASP 4238Ca -0.18 1.87 -0.23 0.00 0.71 0.00 0.00 52.55 54.72 1a9x s ASP 4238Cb -0.02 -2.57 0.34 0.00 1.01 0.00 0.00 42.92 41.68 1a9x s ASP 4238CO 0.70 -0.45 1.03 0.00 0.21 0.00 0.00 175.17 176.66 1a9x n ALA 4239N 4.28 -4.19 -1.74 5.23 0.00 -1.26 -4.73 120.51 118.11 1a9x n ALA 4239Ca 0.09 -1.62 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 1a9x n ALA 4239Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1a9x n ALA 4239CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a9x n MET 4240N -5.27 2.36 0.00 0.00 2.81 -0.10 -2.97 117.12 113.95 1a9x n MET 4240Ca 0.15 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 1a9x n MET 4240Cb 0.60 -2.52 0.00 0.00 -0.71 0.00 0.00 33.22 30.59 1a9x n MET 4240CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 4241N 0.61 1.69 3.18 3.03 0.00 -1.26 -1.27 105.19 111.17 1a9x n GLY 4241Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 4241CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 4242N -1.67 2.54 0.18 -0.61 1.01 -1.16 -3.39 121.20 118.10 1a9x s ILE 4242Ca 0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.49 1a9x s ILE 4242Cb 0.00 -2.13 -0.16 0.00 0.01 0.00 0.00 42.46 40.18 1a9x s ILE 4242CO 0.00 0.45 1.08 1.57 0.00 0.00 0.00 174.94 178.04 1a9x n HIS 4243N 4.67 1.10 -0.28 3.97 -0.00 0.02 -4.69 115.22 120.01 1a9x n HIS 4243Ca -0.19 0.73 0.26 0.00 -0.00 0.00 0.00 57.72 58.51 1a9x n HIS 4243Cb 0.50 -2.24 0.60 0.00 -0.00 0.00 0.00 29.99 28.85 1a9x n HIS 4243CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1a9x h THR 4244N 2.43 0.53 0.00 3.57 1.35 -1.93 0.20 112.91 119.07 1a9x h THR 4244Ca -0.42 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1a9x h THR 4244Cb 1.36 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1a9x h THR 4244CO 0.67 0.04 0.00 1.23 -0.25 0.00 0.00 175.52 177.21 1a9x h GLY 4245N 0.23 0.00 -1.40 5.82 0.00 -1.98 -2.32 103.07 103.43 1a9x h GLY 4245Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1a9x h GLY 4245CO -0.15 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.61 1a9x n ASP 4246N -2.84 2.71 -4.90 0.19 9.92 0.60 -4.75 116.55 117.48 1a9x n ASP 4246Ca 0.01 -1.81 -0.31 0.00 -0.53 0.00 0.00 54.79 52.15 1a9x n ASP 4246Cb 0.30 -0.16 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 1a9x n ASP 4246CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1a9x s SER 4247N -1.08 6.27 0.18 -2.24 0.01 -0.59 -4.81 113.70 111.43 1a9x s SER 4247Ca 0.23 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.44 1a9x s SER 4247Cb 0.14 -1.91 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 1a9x s SER 4247CO 0.19 0.18 0.96 -0.63 0.41 0.00 0.00 173.24 174.35 1a9x s ILE 4248N -1.48 4.23 0.05 1.44 1.01 -1.26 -4.42 121.20 120.76 1a9x s ILE 4248Ca 0.34 2.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.99 1a9x s ILE 4248Cb -0.13 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1a9x s ILE 4248CO 0.27 0.41 0.06 0.42 0.00 0.00 0.00 174.94 176.09 1a9x s THR 4249N -0.63 0.16 0.09 2.92 -4.23 -0.74 0.10 115.64 113.32 1a9x s THR 4249Ca 0.44 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1a9x s THR 4249Cb -0.25 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1a9x s THR 4249CO 0.31 -0.73 -0.03 0.68 -0.54 0.00 0.00 174.62 174.32 1a9x s VAL 4250N -3.08 0.42 -0.00 2.29 -7.23 -0.05 0.28 120.40 113.03 1a9x s VAL 4250Ca -0.01 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1a9x s VAL 4250Cb 0.02 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 1a9x s VAL 4250CO -0.07 -0.83 -0.11 0.00 -0.31 0.00 0.00 175.10 173.79 1a9x s ALA 4251N -3.81 0.88 1.00 1.32 0.00 -0.32 0.14 121.76 120.97 1a9x s ALA 4251Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1a9x s ALA 4251Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1a9x s ALA 4251CO -0.05 0.21 0.00 -0.35 0.00 0.00 0.00 175.76 175.57 1a9x n PRO 4252N 2.72 0.27 -2.11 0.00 -0.04 -1.26 -1.38 135.00 133.19 1a9x n PRO 4252Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 1a9x n PRO 4252Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1a9x n PRO 4252CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 4253N -3.81 2.68 -0.01 0.55 0.00 -1.22 -4.39 121.76 115.55 1a9x s ALA 4253Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1a9x s ALA 4253Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1a9x s ALA 4253CO 0.00 -0.83 0.01 1.04 0.00 0.00 0.00 175.76 175.98 1a9x n GLN 4254N -1.77 3.26 -0.77 0.00 1.13 -1.26 -4.81 117.38 113.16 1a9x n GLN 4254Ca 0.10 -0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.12 1a9x n GLN 4254Cb 0.52 -1.04 0.22 0.00 0.11 0.00 0.00 30.24 30.05 1a9x n GLN 4254CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a9x n THR 4255N -1.99 2.58 -4.28 5.09 -2.24 -1.26 -4.98 114.28 107.20 1a9x n THR 4255Ca -0.02 -2.38 -0.35 0.00 -2.27 0.00 0.00 64.05 59.03 1a9x n THR 4255Cb 0.48 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 1a9x n THR 4255CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 4256N -3.14 3.72 0.76 3.22 1.43 -1.26 -5.10 118.68 118.31 1a9x s LEU 4256Ca 0.46 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 1a9x s LEU 4256Cb 0.40 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.77 1a9x s LEU 4256CO 0.04 0.37 1.10 0.42 0.23 0.00 0.00 176.35 178.51 1a9x s THR 4257N -0.94 3.21 0.22 5.49 -4.23 -1.26 -4.74 115.64 113.38 1a9x s THR 4257Ca 0.15 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1a9x s THR 4257Cb -0.11 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.64 1a9x s THR 4257CO 0.04 -0.51 1.79 -0.78 -0.54 0.00 0.00 174.62 174.62 1a9x h ASP 4258N -0.90 0.50 -0.07 3.99 3.58 -1.99 0.37 116.42 121.90 1a9x h ASP 4258Ca -0.46 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.08 1a9x h ASP 4258Cb 1.26 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.22 1a9x h ASP 4258CO 0.61 0.30 -0.22 0.11 -2.88 0.00 0.00 179.24 177.17 1a9x h LYS 4259N 0.64 -0.30 -0.77 0.28 1.57 -1.99 0.24 116.57 116.23 1a9x h LYS 4259Ca 0.33 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1a9x h LYS 4259Cb 0.30 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1a9x h LYS 4259CO -0.23 -0.20 0.43 0.93 -0.57 0.00 0.00 179.45 179.81 1a9x h GLU 4260N -0.31 1.07 -0.61 3.15 5.08 -1.73 -1.92 114.58 119.31 1a9x h GLU 4260Ca 0.08 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 4260Cb 0.43 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1a9x h GLU 4260CO -0.25 0.79 0.34 -0.92 -1.00 0.00 0.00 179.01 177.97 1a9x h TYR 4261N 1.07 0.64 -0.58 4.33 3.20 0.10 -1.27 116.97 124.45 1a9x h TYR 4261Ca 0.27 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 1a9x h TYR 4261Cb 0.02 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1a9x h TYR 4261CO -0.00 0.33 0.15 1.96 -1.64 0.00 0.00 178.16 178.95 1a9x h GLN 4262N 0.66 0.93 -0.88 1.82 1.08 -0.27 0.69 115.11 119.14 1a9x h GLN 4262Ca 0.26 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1a9x h GLN 4262Cb 0.11 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1a9x h GLN 4262CO -0.15 0.86 0.57 0.82 -0.95 0.00 0.00 178.83 179.99 1a9x h ILE 4263N 0.84 1.16 -0.62 2.54 2.04 -1.00 0.21 117.51 122.68 1a9x h ILE 4263Ca 0.18 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1a9x h ILE 4263Cb 0.34 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1a9x h ILE 4263CO 0.00 0.21 0.03 -0.03 0.00 0.00 0.00 178.15 178.36 1a9x h MET 4264N 1.13 1.07 -0.23 2.37 4.05 -0.58 -1.25 114.93 121.49 1a9x h MET 4264Ca 0.35 -0.32 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1a9x h MET 4264Cb -0.02 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1a9x h MET 4264CO -0.11 1.03 0.09 -0.09 0.23 0.00 0.00 176.91 178.06 1a9x h ARG 4265N 0.98 0.35 0.21 0.39 2.43 -0.37 -1.31 114.38 117.05 1a9x h ARG 4265Ca 0.18 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1a9x h ARG 4265Cb 0.52 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1a9x h ARG 4265CO 0.03 0.40 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.67 1a9x h ASN 4266N 0.23 -0.84 -0.56 -3.80 -0.26 -0.42 -1.80 115.58 108.13 1a9x h ASN 4266Ca 0.08 0.09 0.10 0.00 -0.56 0.00 0.00 56.30 56.01 1a9x h ASN 4266Cb 0.18 0.30 -0.08 0.00 -1.06 0.00 0.00 38.32 37.66 1a9x h ASN 4266CO -0.01 -0.41 0.09 0.00 -1.06 0.00 0.00 177.43 176.04 1a9x h ALA 4267N 0.05 0.62 -0.41 -0.83 0.00 -1.20 -1.05 119.26 116.44 1a9x h ALA 4267Ca 0.01 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1a9x h ALA 4267Cb 0.56 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1a9x h ALA 4267CO -0.12 -0.33 -0.12 0.77 0.00 0.00 0.00 179.25 179.45 1a9x h SER 4268N 0.21 -0.45 -0.63 0.00 0.02 -0.87 0.30 113.55 112.15 1a9x h SER 4268Ca 0.29 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 1a9x h SER 4268Cb 0.42 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1a9x h SER 4268CO -0.40 -0.16 0.12 0.24 -1.14 0.00 0.00 176.83 175.49 1a9x h MET 4269N -0.03 1.03 -0.79 3.45 2.07 -0.67 -2.82 114.93 117.17 1a9x h MET 4269Ca 0.20 -0.27 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1a9x h MET 4269Cb 0.33 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 29.90 1a9x h MET 4269CO -0.44 0.95 0.51 0.00 1.07 0.00 0.00 176.91 178.99 1a9x h ALA 4270N 1.03 1.40 -0.19 6.32 0.00 -0.25 -1.69 119.26 125.89 1a9x h ALA 4270Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 4270Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a9x h ALA 4270CO 0.01 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.13 1a9x h VAL 4271N 1.08 1.20 -0.30 0.00 2.07 -0.20 -0.54 116.25 119.56 1a9x h VAL 4271Ca 0.29 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1a9x h VAL 4271Cb -0.09 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1a9x h VAL 4271CO -0.06 0.19 -0.17 -0.07 0.02 0.00 0.00 177.57 177.49 1a9x h LEU 4272N 0.12 0.53 -0.41 2.57 4.07 -1.28 -1.42 115.31 119.48 1a9x h LEU 4272Ca 0.06 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1a9x h LEU 4272Cb 0.25 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1a9x h LEU 4272CO -0.00 0.72 -0.01 0.03 -1.08 0.00 0.00 178.44 178.09 1a9x h ARG 4273N 0.49 0.73 -0.18 1.13 3.08 -1.13 -1.10 114.38 117.40 1a9x h ARG 4273Ca 0.08 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 1a9x h ARG 4273Cb 0.57 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1a9x h ARG 4273CO 0.04 0.82 -0.65 1.49 -1.07 0.00 0.00 179.97 180.60 1a9x h GLU 4274N 0.55 0.76 0.00 0.04 4.57 -0.89 -3.06 114.58 116.55 1a9x h GLU 4274Ca 0.11 -0.57 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 1a9x h GLU 4274Cb 0.50 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1a9x h GLU 4274CO 0.02 1.19 -0.20 0.82 -1.18 0.00 0.00 179.01 179.67 1a9x h ILE 4275N 0.48 1.03 -0.28 2.32 5.03 -1.26 -3.46 117.51 121.36 1a9x h ILE 4275Ca -0.03 -0.70 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 1a9x h ILE 4275Cb 1.28 1.39 0.00 0.00 -3.03 0.00 0.00 36.82 36.46 1a9x h ILE 4275CO 0.14 0.19 0.00 0.61 -0.68 0.00 0.00 178.15 178.41 1a9x n GLY 4276N -0.86 1.08 3.50 5.37 0.00 -0.60 -4.35 105.19 109.33 1a9x n GLY 4276Ca -0.02 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1a9x n GLY 4276CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4277N -2.28 5.02 -0.10 1.61 1.01 -0.52 -4.75 120.40 120.40 1a9x s VAL 4277Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 61.98 61.98 1a9x s VAL 4277Cb 0.00 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 32.03 1a9x s VAL 4277CO 0.00 -0.45 0.43 -0.62 0.00 0.00 0.00 175.10 174.46 1a9x n GLU 4278N 5.76 0.66 -3.52 2.72 1.02 -1.26 -4.70 120.64 121.32 1a9x n GLU 4278Ca -0.06 -0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.72 1a9x n GLU 4278Cb 0.48 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 1a9x n GLU 4278CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1a9x n THR 4279N -2.48 -0.26 -2.80 2.62 -2.24 -1.23 -3.23 114.28 104.66 1a9x n THR 4279Ca -0.13 -3.93 0.00 0.00 -2.27 0.00 0.00 64.05 57.72 1a9x n THR 4279Cb 0.76 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1a9x n THR 4279CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4280N 2.41 -0.07 3.90 3.38 0.00 -0.61 -3.85 105.19 110.35 1a9x n GLY 4280Ca 0.27 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1a9x n GLY 4280CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a9x s GLY 4281N 0.00 2.24 -0.04 -0.02 0.00 -1.26 -1.99 107.32 106.24 1a9x s GLY 4281Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 1a9x s GLY 4281CO 0.00 -0.49 0.32 -0.56 0.00 0.00 0.00 173.10 172.37 1a9x s SER 4282N -2.34 -0.23 -0.14 1.64 0.01 -0.85 -2.74 113.70 109.04 1a9x s SER 4282Ca 0.39 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 1a9x s SER 4282Cb -0.12 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1a9x s SER 4282CO 0.24 -0.38 0.02 0.21 0.41 0.00 0.00 173.24 173.74 1a9x s ASN 4283N -1.02 5.31 -0.12 2.44 3.84 -0.63 -0.79 114.94 123.98 1a9x s ASN 4283Ca -0.11 0.06 0.03 0.00 0.21 0.00 0.00 52.86 53.05 1a9x s ASN 4283Cb -0.05 -1.77 -0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1a9x s ASN 4283CO 0.04 0.25 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.70 1a9x s VAL 4284N -0.09 2.31 -0.09 -5.21 1.01 0.28 -1.19 120.40 117.41 1a9x s VAL 4284Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1a9x s VAL 4284Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1a9x s VAL 4284CO 0.02 0.55 0.04 -1.10 0.00 0.00 0.00 175.10 174.60 1a9x s GLN 4285N 0.48 3.10 0.13 2.72 -0.21 -0.03 -1.04 119.66 124.81 1a9x s GLN 4285Ca -0.14 -0.34 -0.00 0.00 0.02 0.00 0.00 55.36 54.90 1a9x s GLN 4285Cb -0.17 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1a9x s GLN 4285CO 0.06 0.72 0.03 -0.06 -2.12 0.00 0.00 175.29 173.92 1a9x s PHE 4286N -0.92 0.93 -0.02 0.91 0.40 0.38 -0.79 117.98 118.87 1a9x s PHE 4286Ca 0.14 -1.15 0.07 0.00 -0.60 0.00 0.00 56.93 55.39 1a9x s PHE 4286Cb -0.11 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.86 1a9x s PHE 4286CO 0.03 -0.40 -0.22 0.00 0.70 0.00 0.00 175.22 175.32 1a9x s ALA 4287N -3.91 1.88 -0.04 5.36 0.00 0.12 -1.41 121.76 123.76 1a9x s ALA 4287Ca 0.22 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1a9x s ALA 4287Cb 0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1a9x s ALA 4287CO 0.01 0.45 -0.16 0.08 0.00 0.00 0.00 175.76 176.13 1a9x s VAL 4288N -0.46 1.34 -0.45 0.00 1.01 0.42 -0.73 120.40 121.53 1a9x s VAL 4288Ca 0.07 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 1a9x s VAL 4288Cb -0.09 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1a9x s VAL 4288CO -0.00 0.39 0.98 0.21 0.00 0.00 0.00 175.10 176.67 1a9x s ASN 4289N 0.04 6.56 0.59 3.32 3.84 0.21 -0.97 114.94 128.53 1a9x s ASN 4289Ca -0.03 0.26 0.37 0.00 0.21 0.00 0.00 52.86 53.67 1a9x s ASN 4289Cb -0.11 -2.48 2.00 0.00 -0.55 0.00 0.00 41.25 40.12 1a9x s ASN 4289CO 0.02 -1.07 2.12 1.55 -2.79 0.00 0.00 177.10 176.93 1a9x h PRO 4290N 9.03 0.00 0.00 0.43 0.13 -1.92 1.39 132.00 141.06 1a9x h PRO 4290Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1a9x h PRO 4290Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1a9x h PRO 4290CO 1.04 0.00 -0.64 0.87 -0.23 0.00 0.00 178.00 179.04 1a9x h LYS 4291N 0.00 0.00 0.00 0.86 1.57 -1.98 -3.38 116.57 113.64 1a9x h LYS 4291Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9x h LYS 4291Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1a9x h LYS 4291CO 0.00 0.09 0.00 0.27 -0.57 0.00 0.00 179.45 179.24 1a9x n ASN 4292N -2.91 0.00 0.00 0.86 0.23 -0.68 -4.99 115.26 107.77 1a9x n ASN 4292Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 1a9x n ASN 4292Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1a9x n ASN 4292CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a9x n GLY 4293N 0.00 0.34 3.68 4.83 0.00 0.47 -4.93 105.19 109.58 1a9x n GLY 4293Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 4293CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a9x n ARG 4294N -1.40 2.37 -3.44 1.61 0.63 -1.19 -4.52 116.66 110.72 1a9x n ARG 4294Ca 0.00 0.86 -0.38 0.00 -0.92 0.00 0.00 57.85 57.42 1a9x n ARG 4294Cb 0.17 -2.69 -0.08 0.00 0.45 0.00 0.00 32.46 30.32 1a9x n ARG 4294CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1a9x s LEU 4295N 2.18 4.18 -0.04 6.15 2.96 -1.26 0.66 118.68 133.51 1a9x s LEU 4295Ca 0.83 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1a9x s LEU 4295Cb -0.62 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1a9x s LEU 4295CO 0.41 -0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.67 1a9x s ILE 4296N 1.07 1.00 -0.07 6.68 1.01 0.09 -4.43 121.20 126.55 1a9x s ILE 4296Ca 0.18 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 1a9x s ILE 4296Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1a9x s ILE 4296CO 0.07 0.31 0.67 -0.69 0.00 0.00 0.00 174.94 175.30 1a9x s VAL 4297N 0.28 5.06 -0.25 2.92 1.01 -0.00 0.13 120.40 129.55 1a9x s VAL 4297Ca -0.06 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 1a9x s VAL 4297Cb -0.11 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1a9x s VAL 4297CO 0.01 0.26 -0.34 -0.38 0.00 0.00 0.00 175.10 174.66 1a9x n ILE 4298N 3.76 1.44 -3.81 2.22 2.08 0.03 -4.53 119.36 120.55 1a9x n ILE 4298Ca -0.02 -0.29 -0.03 0.00 0.56 0.00 0.00 62.75 62.97 1a9x n ILE 4298Cb 0.51 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 1a9x n ILE 4298CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1a9x s GLU 4299N -2.53 1.15 -0.00 0.38 -1.05 -1.19 -5.00 118.70 110.45 1a9x s GLU 4299Ca -0.35 -0.69 -0.01 0.00 -0.15 0.00 0.00 54.97 53.76 1a9x s GLU 4299Cb 0.13 0.35 -0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1a9x s GLU 4299CO 0.45 -0.53 0.02 0.00 0.95 0.00 0.00 175.26 176.15 1a9x s MET 4300N -2.59 0.16 -0.26 -4.83 0.23 -1.26 -0.85 119.30 109.90 1a9x s MET 4300Ca 0.18 -0.18 0.02 0.00 -1.03 0.00 0.00 55.69 54.67 1a9x s MET 4300Cb -0.01 0.06 0.05 0.00 -1.53 0.00 0.00 34.83 33.40 1a9x s MET 4300CO 0.03 -0.03 -0.09 -0.80 -2.03 0.00 0.00 175.02 172.10 1a9x s ASN 4301N -0.54 4.45 -1.58 -1.18 0.01 -0.33 -4.77 114.94 111.01 1a9x s ASN 4301Ca -0.06 -1.31 -0.10 0.00 -0.71 0.00 0.00 52.86 50.68 1a9x s ASN 4301Cb -0.04 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.99 1a9x s ASN 4301CO -0.00 -0.19 2.83 -0.81 -1.51 0.00 0.00 177.10 177.42 1a9x n PRO 4302N 4.49 3.76 -3.82 -0.60 -0.04 -1.26 -1.60 135.00 135.93 1a9x n PRO 4302Ca -0.14 -2.40 0.02 0.00 -0.04 0.00 0.00 63.50 60.94 1a9x n PRO 4302Cb 0.43 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1a9x n PRO 4302CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1a9x s ARG 4303N 1.81 0.42 0.75 0.54 1.70 -1.11 -4.88 118.95 118.19 1a9x s ARG 4303Ca 0.66 -0.26 -0.12 0.00 -0.47 0.00 0.00 55.73 55.55 1a9x s ARG 4303Cb 0.18 0.13 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1a9x s ARG 4303CO -0.07 -0.20 1.13 0.14 -1.08 0.00 0.00 175.30 175.23 1a9x s VAL 4304N -2.19 2.90 0.00 4.99 -7.23 -0.70 -4.32 120.40 113.85 1a9x s VAL 4304Ca 0.22 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1a9x s VAL 4304Cb 0.02 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1a9x s VAL 4304CO -0.02 -0.38 0.00 -1.54 -0.31 0.00 0.00 175.10 172.85 1a9x n SER 4305N -3.16 0.00 0.06 4.85 3.41 -1.26 -4.71 113.62 112.80 1a9x n SER 4305Ca 0.07 -0.66 -0.05 0.00 -0.26 0.00 0.00 58.87 57.97 1a9x n SER 4305Cb 0.59 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.67 1a9x n SER 4305CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a9x h ARG 4306N 0.00 0.34 -0.14 4.33 0.11 -1.95 -1.78 114.38 115.30 1a9x h ARG 4306Ca 0.00 -0.20 -0.13 0.00 0.10 0.00 0.00 59.98 59.75 1a9x h ARG 4306Cb 0.00 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1a9x h ARG 4306CO 0.00 0.78 -0.48 0.77 0.10 0.00 0.00 179.97 181.14 1a9x h SER 4307N 0.27 0.38 0.05 0.08 0.02 -1.99 -1.99 113.55 110.36 1a9x h SER 4307Ca 0.01 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 1a9x h SER 4307Cb 1.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1a9x h SER 4307CO 0.09 0.80 -0.56 0.77 -1.14 0.00 0.00 176.83 176.78 1a9x h SER 4308N 0.28 0.60 -0.67 3.07 4.64 -1.86 0.19 113.55 119.79 1a9x h SER 4308Ca 0.02 -0.32 -0.08 0.00 -0.47 0.00 0.00 61.79 60.94 1a9x h SER 4308Cb 0.95 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1a9x h SER 4308CO 0.08 1.03 0.12 0.00 -0.87 0.00 0.00 176.83 177.19 1a9x h ALA 4309N 0.98 0.89 -0.40 5.18 0.00 -1.15 0.27 119.26 125.03 1a9x h ALA 4309Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1a9x h ALA 4309Cb 1.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1a9x h ALA 4309CO 0.10 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.29 1a9x h LEU 4310N 1.03 0.66 -1.29 0.00 5.85 -1.23 -2.05 115.31 118.27 1a9x h LEU 4310Ca 0.21 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1a9x h LEU 4310Cb 0.43 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1a9x h LEU 4310CO 0.01 0.77 0.35 0.00 -0.34 0.00 0.00 178.44 179.23 1a9x h ALA 4311N 0.91 1.46 -0.38 1.25 0.00 -0.30 0.26 119.26 122.46 1a9x h ALA 4311Ca 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 4311Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1a9x h ALA 4311CO 0.01 0.45 0.10 0.77 0.00 0.00 0.00 179.25 180.59 1a9x h SER 4312N 0.85 0.57 -0.23 0.00 0.02 0.02 -2.09 113.55 112.69 1a9x h SER 4312Ca 0.22 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1a9x h SER 4312Cb -0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1a9x h SER 4312CO -0.04 0.64 -0.39 0.11 -1.14 0.00 0.00 176.83 176.02 1a9x h LYS 4313N 0.46 0.77 -0.68 3.45 1.79 -1.14 0.25 116.57 121.47 1a9x h LYS 4313Ca 0.12 -0.39 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 1a9x h LYS 4313Cb 0.29 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1a9x h LYS 4313CO 0.00 1.02 0.31 0.00 -1.08 0.00 0.00 179.45 179.69 1a9x h ALA 4314N 0.93 1.25 0.00 3.86 0.00 -0.33 -3.31 119.26 121.67 1a9x h ALA 4314Ca 0.05 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 1a9x h ALA 4314Cb 0.94 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1a9x h ALA 4314CO 0.09 0.56 -2.21 0.25 0.00 0.00 0.00 179.25 177.94 1a9x n THR 4315N -4.32 1.05 -0.24 0.00 -2.24 -0.80 -5.00 114.28 102.73 1a9x n THR 4315Ca 0.06 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1a9x n THR 4315Cb 0.15 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1a9x n THR 4315CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4316N 1.77 0.84 3.54 3.38 0.00 0.87 -2.87 105.19 112.72 1a9x n GLY 4316Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1a9x n GLY 4316CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a9x s PHE 4317N -2.61 2.99 -1.25 1.61 2.19 -1.22 -4.67 117.98 115.02 1a9x s PHE 4317Ca 0.00 0.13 -0.18 0.00 0.33 0.00 0.00 56.93 57.20 1a9x s PHE 4317Cb 0.00 -3.66 0.00 0.00 -1.31 0.00 0.00 43.02 38.06 1a9x s PHE 4317CO 0.00 -1.00 1.92 -0.35 1.83 0.00 0.00 175.22 177.62 1a9x n PRO 4318N 6.71 2.60 -0.29 10.12 -0.04 -1.26 -4.33 135.00 148.51 1a9x n PRO 4318Ca 0.02 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1a9x n PRO 4318Cb 0.48 -3.43 0.04 0.00 -0.04 0.00 0.00 33.50 30.56 1a9x n PRO 4318CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a9x n ILE 4319N 6.31 -0.38 -0.22 0.52 5.41 -1.26 -1.85 119.36 127.89 1a9x n ILE 4319Ca 0.49 1.75 -0.09 0.00 1.00 0.00 0.00 62.75 65.90 1a9x n ILE 4319Cb 0.44 -2.32 0.03 0.00 -0.71 0.00 0.00 39.64 37.07 1a9x n ILE 4319CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a9x h ALA 4320N 1.10 0.84 -0.15 -1.39 0.00 -1.91 -0.38 119.26 117.36 1a9x h ALA 4320Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 4320Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a9x h ALA 4320CO -0.75 0.67 0.06 0.87 0.00 0.00 0.00 179.25 180.10 1a9x h LYS 4321N 0.99 0.23 -0.03 0.00 1.57 -1.59 -1.43 116.57 116.31 1a9x h LYS 4321Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1a9x h LYS 4321Cb 0.54 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1a9x h LYS 4321CO 0.03 0.31 0.02 0.28 -0.57 0.00 0.00 179.45 179.51 1a9x h VAL 4322N 0.09 1.04 -0.93 0.50 2.07 -1.41 -2.88 116.25 114.74 1a9x h VAL 4322Ca 0.05 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1a9x h VAL 4322Cb 0.17 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1a9x h VAL 4322CO -0.00 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.17 1a9x h ALA 4323N 0.97 1.22 -0.25 1.67 0.00 -0.99 0.07 119.26 121.95 1a9x h ALA 4323Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1a9x h ALA 4323Cb 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1a9x h ALA 4323CO -0.00 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 1a9x h ALA 4324N 1.32 1.45 0.06 0.00 0.00 -1.13 -1.50 119.26 119.46 1a9x h ALA 4324Ca 0.33 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1a9x h ALA 4324Cb -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a9x h ALA 4324CO -0.06 0.39 -1.08 0.87 0.00 0.00 0.00 179.25 179.36 1a9x h LYS 4325N 0.37 0.63 0.00 0.00 1.57 -1.15 -3.12 116.57 114.87 1a9x h LYS 4325Ca 0.08 -0.76 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 1a9x h LYS 4325Cb 0.33 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1a9x h LYS 4325CO 0.01 1.33 -0.07 -0.07 -0.57 0.00 0.00 179.45 180.08 1a9x h LEU 4326N 0.26 0.00 -1.45 2.94 4.07 -0.70 -2.24 115.31 118.19 1a9x h LEU 4326Ca -0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1a9x h LEU 4326Cb 1.76 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.48 1a9x h LEU 4326CO 0.21 0.07 0.09 0.00 -1.08 0.00 0.00 178.44 177.73 1a9x h ALA 4327N 1.93 1.57 -0.41 1.53 0.00 -1.22 -2.05 119.26 120.61 1a9x h ALA 4327Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a9x h ALA 4327Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a9x h ALA 4327CO 0.01 0.33 0.00 1.33 0.00 0.00 0.00 179.25 180.92 1a9x n VAL 4328N -4.37 0.54 0.00 0.00 0.24 -0.89 -4.23 118.33 109.62 1a9x n VAL 4328Ca 0.02 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1a9x n VAL 4328Cb 0.16 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1a9x n VAL 4328CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 4329N 1.26 1.01 3.77 7.63 0.00 -0.77 -1.99 105.19 116.10 1a9x n GLY 4329Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1a9x n GLY 4329CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 4330N -2.04 2.63 0.24 1.61 1.51 -0.94 -4.07 117.35 116.30 1a9x s TYR 4330Ca 0.00 1.22 0.10 0.00 -1.01 0.00 0.00 57.07 57.38 1a9x s TYR 4330Cb 0.00 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 1a9x s TYR 4330CO 0.00 -1.99 -0.17 0.95 -1.11 0.00 0.00 175.55 173.23 1a9x s THR 4331N -3.05 2.07 0.24 -0.71 -4.23 -1.23 -4.32 115.64 104.39 1a9x s THR 4331Ca 0.62 -2.29 -0.05 0.00 -1.18 0.00 0.00 61.69 58.79 1a9x s THR 4331Cb -0.16 -2.15 0.20 0.00 1.34 0.00 0.00 72.50 71.73 1a9x s THR 4331CO 0.55 -0.50 1.77 -0.07 -0.54 0.00 0.00 174.62 175.84 1a9x h LEU 4332N 2.46 0.48 -2.13 4.79 3.38 -1.93 -1.27 115.31 121.10 1a9x h LEU 4332Ca -0.39 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1a9x h LEU 4332Cb 1.24 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1a9x h LEU 4332CO 0.61 0.25 -0.06 -2.24 0.09 0.00 0.00 178.44 177.09 1a9x h ASP 4333N 0.61 0.00 1.18 -0.43 2.03 -1.92 -2.80 116.42 115.10 1a9x h ASP 4333Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1a9x h ASP 4333Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1a9x h ASP 4333CO -0.30 0.06 -0.76 -0.33 -1.03 0.00 0.00 179.24 176.88 1a9x h GLU 4334N 0.00 0.00 -6.48 4.15 5.08 -1.63 -3.45 114.58 112.24 1a9x h GLU 4334Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1a9x h GLU 4334Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1a9x h GLU 4334CO 0.01 0.00 0.05 -0.51 -1.00 0.00 0.00 179.01 177.56 1a9x s LEU 4335N -5.40 4.36 0.17 1.33 1.43 -1.07 -4.98 118.68 114.52 1a9x s LEU 4335Ca 0.02 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1a9x s LEU 4335Cb 0.09 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1a9x s LEU 4335CO 0.76 0.07 0.35 -0.04 0.23 0.00 0.00 176.35 177.72 1a9x s MET 4336N -1.89 3.51 -0.32 1.70 -1.94 -1.26 -0.62 119.30 118.47 1a9x s MET 4336Ca 0.41 -0.36 -0.29 0.00 -1.71 0.00 0.00 55.69 53.73 1a9x s MET 4336Cb -0.17 -2.89 0.01 0.00 2.01 0.00 0.00 34.83 33.80 1a9x s MET 4336CO 0.20 0.46 1.13 1.21 -0.01 0.00 0.00 175.02 178.01 1a9x s ASN 4337N -2.99 6.86 0.16 3.03 2.47 0.14 -4.37 114.94 120.25 1a9x s ASN 4337Ca 0.38 1.05 -0.19 0.00 0.42 0.00 0.00 52.86 54.52 1a9x s ASN 4337Cb -0.11 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.22 1a9x s ASN 4337CO 0.28 -0.95 1.64 0.44 -3.72 0.00 0.00 177.10 174.80 1a9x h ASP 4338N 8.42 -0.63 0.71 -4.21 3.32 -1.90 -1.98 116.42 120.15 1a9x h ASP 4338Ca -0.22 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1a9x h ASP 4338Cb 1.07 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1a9x h ASP 4338CO 1.04 -0.22 -0.22 0.16 -1.72 0.00 0.00 179.24 178.27 1a9x h ILE 4339N -0.13 0.64 -0.43 0.35 3.07 -1.92 -2.95 117.51 116.13 1a9x h ILE 4339Ca 0.18 -1.01 -0.15 0.00 1.55 0.00 0.00 64.86 65.43 1a9x h ILE 4339Cb 0.41 1.66 -0.09 0.00 -0.27 0.00 0.00 36.82 38.52 1a9x h ILE 4339CO -0.44 0.22 0.19 0.35 -1.05 0.00 0.00 178.15 177.42 1a9x n THR 4340N -3.51 1.87 -1.71 0.16 -2.24 -1.12 -3.86 114.28 103.86 1a9x n THR 4340Ca -0.01 -0.91 -0.09 0.00 -2.27 0.00 0.00 64.05 60.77 1a9x n THR 4340Cb 0.38 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 1a9x n THR 4340CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4341N -0.05 0.55 3.27 3.38 0.00 -1.11 -3.11 105.19 108.12 1a9x n GLY 4341Ca 0.24 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1a9x n GLY 4341CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4342N -1.44 1.54 0.06 -0.02 0.00 -0.76 -4.90 105.19 99.67 1a9x n GLY 4342Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1a9x n GLY 4342CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a9x h ARG 4343N 2.08 -0.05 -6.44 1.61 3.08 -1.77 -3.42 114.38 109.47 1a9x h ARG 4343Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1a9x h ARG 4343Cb 0.00 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1a9x h ARG 4343CO 0.00 0.06 -0.26 0.95 -1.07 0.00 0.00 179.97 179.66 1a9x s THR 4344N -5.79 4.77 0.63 2.04 -4.23 -1.26 -4.97 115.64 106.83 1a9x s THR 4344Ca -0.14 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 1a9x s THR 4344Cb 0.05 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.21 1a9x s THR 4344CO 0.66 -0.40 0.92 -2.16 -0.54 0.00 0.00 174.62 173.10 1a9x s PRO 4345N -4.26 2.52 0.00 3.99 0.04 -1.26 0.28 135.00 136.31 1a9x s PRO 4345Ca 0.41 -0.28 0.22 0.00 0.04 0.00 0.00 61.00 61.39 1a9x s PRO 4345Cb -0.09 -2.27 1.04 0.00 0.04 0.00 0.00 34.50 33.21 1a9x s PRO 4345CO 0.34 -0.94 1.71 0.00 0.04 0.00 0.00 177.00 178.15 1a9x n ALA 4346N -2.68 2.08 -3.08 8.56 0.00 0.20 -4.17 120.51 121.43 1a9x n ALA 4346Ca 0.07 -0.09 -0.45 0.00 0.00 0.00 0.00 53.44 52.97 1a9x n ALA 4346Cb 0.59 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1a9x n ALA 4346CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a9x s SER 4347N -2.74 6.91 0.16 0.00 1.04 -1.15 -4.89 113.70 113.03 1a9x s SER 4347Ca 0.17 -2.73 -0.25 0.00 0.48 0.00 0.00 55.95 53.63 1a9x s SER 4347Cb 0.15 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 64.00 1a9x s SER 4347CO 0.36 -0.74 0.96 0.72 0.98 0.00 0.00 173.24 175.52 1a9x s PHE 4348N 1.20 -0.11 -0.22 5.02 -0.71 -1.26 -4.95 117.98 116.95 1a9x s PHE 4348Ca 0.33 -0.21 -0.06 0.00 -1.04 0.00 0.00 56.93 55.95 1a9x s PHE 4348Cb -0.06 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1a9x s PHE 4348CO -0.06 -0.85 0.01 -1.21 -1.34 0.00 0.00 175.22 171.77 1a9x s GLU 4349N -3.19 3.57 0.64 1.99 2.02 -1.26 -4.82 118.70 117.65 1a9x s GLU 4349Ca 0.13 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 1a9x s GLU 4349Cb -0.02 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1a9x s GLU 4349CO 0.03 -0.10 1.31 -2.14 0.02 0.00 0.00 175.26 174.37 1a9x s PRO 4350N 1.32 2.61 -0.07 0.39 0.02 -1.26 -4.98 135.00 133.03 1a9x s PRO 4350Ca 0.04 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.17 1a9x s PRO 4350Cb -0.15 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.50 1a9x s PRO 4350CO 0.01 -1.56 -0.08 0.45 -0.33 0.00 0.00 177.00 175.49 1a9x s SER 4351N -1.33 1.62 -0.05 2.53 0.15 -0.03 -4.96 113.70 111.63 1a9x s SER 4351Ca 0.81 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1a9x s SER 4351Cb -0.38 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1a9x s SER 4351CO 0.41 -0.05 -0.04 0.27 1.20 0.00 0.00 173.24 175.03 1a9x s ILE 4352N 1.11 3.95 -0.56 6.45 -4.36 -1.26 -1.06 121.20 125.47 1a9x s ILE 4352Ca -0.07 -0.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.87 1a9x s ILE 4352Cb -0.14 -2.66 0.42 0.00 1.25 0.00 0.00 42.46 41.33 1a9x s ILE 4352CO -0.01 0.54 1.61 -0.90 0.24 0.00 0.00 174.94 176.41 1a9x n ASP 4353N 1.97 6.28 -3.54 4.36 5.75 -1.26 -4.88 116.55 125.23 1a9x n ASP 4353Ca -0.17 -3.78 -0.05 0.00 -0.01 0.00 0.00 54.79 50.78 1a9x n ASP 4353Cb 0.53 -0.71 -0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1a9x n ASP 4353CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1a9x s TYR 4354N -3.76 -0.05 -0.09 2.11 -0.85 -1.26 -4.86 117.35 108.59 1a9x s TYR 4354Ca 0.55 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 1a9x s TYR 4354Cb 0.44 0.70 -0.01 0.00 0.38 0.00 0.00 41.96 43.48 1a9x s TYR 4354CO -0.12 -1.06 -0.19 0.08 -1.52 0.00 0.00 175.55 172.73 1a9x s VAL 4355N -2.98 2.52 -0.11 -3.49 1.01 0.95 -4.60 120.40 113.70 1a9x s VAL 4355Ca 0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1a9x s VAL 4355Cb -0.03 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1a9x s VAL 4355CO 0.06 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 1a9x s VAL 4356N 0.05 3.46 -0.06 2.92 1.01 -0.48 -1.12 120.40 126.17 1a9x s VAL 4356Ca -0.08 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1a9x s VAL 4356Cb -0.15 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1a9x s VAL 4356CO 0.05 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.62 1a9x s THR 4357N -0.13 1.62 -0.04 3.92 2.01 -0.60 -1.18 115.64 121.24 1a9x s THR 4357Ca 0.01 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1a9x s THR 4357Cb -0.13 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1a9x s THR 4357CO 0.03 0.46 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.49 1a9x s LYS 4358N 0.16 2.38 -0.06 4.92 2.36 0.14 -1.40 119.74 128.25 1a9x s LYS 4358Ca -0.08 -0.78 0.02 0.00 -2.55 0.00 0.00 55.97 52.58 1a9x s LYS 4358Cb -0.14 -2.27 0.02 0.00 -1.05 0.00 0.00 37.83 34.39 1a9x s LYS 4358CO 0.04 0.59 -0.10 0.42 1.55 0.00 0.00 175.35 177.85 1a9x s ILE 4359N -0.67 0.99 0.51 5.43 1.01 -0.62 -1.79 121.20 126.06 1a9x s ILE 4359Ca 0.10 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1a9x s ILE 4359Cb -0.11 -0.93 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 1a9x s ILE 4359CO 0.00 0.32 1.06 -2.16 0.00 0.00 0.00 174.94 174.16 1a9x s PRO 4360N 0.77 3.67 -0.18 2.79 0.05 -1.26 -1.58 135.00 139.27 1a9x s PRO 4360Ca -0.13 1.40 -0.05 0.00 0.05 0.00 0.00 61.00 62.27 1a9x s PRO 4360Cb -0.15 -2.07 -0.03 0.00 0.05 0.00 0.00 34.50 32.30 1a9x s PRO 4360CO 0.02 -0.54 -0.00 0.50 0.05 0.00 0.00 177.00 177.03 1a9x s ARG 4361N -3.31 3.72 0.44 4.56 6.06 0.62 -4.89 118.95 126.14 1a9x s ARG 4361Ca 0.68 -0.48 0.06 0.00 -2.50 0.00 0.00 55.73 53.49 1a9x s ARG 4361Cb -0.18 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 1a9x s ARG 4361CO 0.23 0.17 0.17 -0.06 -2.50 0.00 0.00 175.30 173.31 1a9x s PHE 4362N 0.59 2.39 -0.33 5.12 0.08 -1.26 -0.18 117.98 124.39 1a9x s PHE 4362Ca -0.01 -0.67 0.16 0.00 0.12 0.00 0.00 56.93 56.54 1a9x s PHE 4362Cb -0.14 -1.90 0.45 0.00 -0.57 0.00 0.00 43.02 40.86 1a9x s PHE 4362CO 0.02 0.14 1.17 0.09 -0.10 0.00 0.00 175.22 176.54 1a9x n ASN 4363N -1.28 0.23 -0.36 1.36 5.03 -1.26 -4.85 115.26 114.13 1a9x n ASN 4363Ca -0.04 -2.43 0.02 0.00 0.87 0.00 0.00 54.58 53.01 1a9x n ASN 4363Cb 0.65 0.04 0.18 0.00 -1.02 0.00 0.00 39.78 39.62 1a9x n ASN 4363CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1a9x h PHE 4364N 2.39 1.19 -0.00 3.10 0.04 -1.93 -1.76 116.94 119.97 1a9x h PHE 4364Ca -0.20 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1a9x h PHE 4364Cb 1.25 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1a9x h PHE 4364CO 0.33 0.63 0.34 1.05 -0.60 0.00 0.00 178.31 180.06 1a9x h GLU 4365N 1.18 0.00 0.00 1.51 9.09 -1.96 0.78 114.58 125.18 1a9x h GLU 4365Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1a9x h GLU 4365Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1a9x h GLU 4365CO -0.16 0.00 -0.50 1.63 0.05 0.00 0.00 179.01 180.04 1a9x n LYS 4366N -2.89 0.05 -2.89 1.06 5.02 -0.66 -4.12 118.16 113.73 1a9x n LYS 4366Ca -0.02 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1a9x n LYS 4366Cb 0.39 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1a9x n LYS 4366CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1a9x n PHE 4367N -1.60 2.95 -0.21 2.13 3.72 0.27 -4.94 117.46 119.77 1a9x n PHE 4367Ca 0.05 -3.72 0.00 0.00 -0.05 0.00 0.00 57.45 53.73 1a9x n PHE 4367Cb 0.35 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1a9x n PHE 4367CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9x n ALA 4368N -0.17 -0.02 1.91 4.37 0.00 -1.20 0.87 120.51 126.27 1a9x n ALA 4368Ca 0.30 0.57 0.07 0.00 0.00 0.00 0.00 53.44 54.38 1a9x n ALA 4368Cb 0.52 -0.28 0.38 0.00 0.00 0.00 0.00 19.45 20.08 1a9x n ALA 4368CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4369N -1.29 -0.85 3.84 0.00 0.00 -1.26 -4.90 105.19 100.72 1a9x n GLY 4369Ca 0.07 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1a9x n GLY 4369CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 4370N -1.97 3.16 0.23 4.61 0.00 0.25 -4.59 121.76 123.46 1a9x s ALA 4370Ca 0.21 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1a9x s ALA 4370Cb 0.10 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 1a9x s ALA 4370CO 0.16 0.11 1.25 1.21 0.00 0.00 0.00 175.76 178.49 1a9x s ASN 4371N -2.46 6.97 -0.15 0.00 3.84 -1.26 -4.90 114.94 116.97 1a9x s ASN 4371Ca 0.58 2.40 0.17 0.00 0.21 0.00 0.00 52.86 56.22 1a9x s ASN 4371Cb -0.10 -2.62 0.34 0.00 -0.55 0.00 0.00 41.25 38.32 1a9x s ASN 4371CO 0.19 -0.43 1.19 -0.90 -2.79 0.00 0.00 177.10 174.36 1a9x n ASP 4372N 2.03 2.34 -4.88 -4.21 5.75 -1.26 -4.99 116.55 111.32 1a9x n ASP 4372Ca 0.03 -3.26 -0.32 0.00 -0.01 0.00 0.00 54.79 51.24 1a9x n ASP 4372Cb 0.43 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1a9x n ASP 4372CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a9x s ARG 4373N -2.95 3.73 0.04 0.11 1.81 -1.26 -4.28 118.95 116.14 1a9x s ARG 4373Ca 0.34 0.12 -0.30 0.00 -1.72 0.00 0.00 55.73 54.17 1a9x s ARG 4373Cb 0.30 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 1a9x s ARG 4373CO 0.01 0.41 1.03 -0.51 -0.68 0.00 0.00 175.30 175.56 1a9x s LEU 4374N -2.64 4.40 0.00 2.53 1.43 0.26 -4.95 118.68 119.70 1a9x s LEU 4374Ca 0.43 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1a9x s LEU 4374Cb -0.12 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1a9x s LEU 4374CO 0.22 -0.27 0.00 1.07 0.23 0.00 0.00 176.35 177.60 1a9x n THR 4375N 3.64 0.00 0.84 5.49 5.66 -1.26 -4.79 114.28 123.86 1a9x n THR 4375Ca 0.06 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.19 1a9x n THR 4375Cb 0.49 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.71 1a9x n THR 4375CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1a9x n THR 4376N 0.00 0.21 -3.58 1.09 -2.24 -1.22 -0.80 114.28 107.73 1a9x n THR 4376Ca 0.00 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1a9x n THR 4376Cb 0.00 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1a9x n THR 4376CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 4377N -3.05 4.03 0.61 -0.78 0.74 -1.26 -4.09 119.66 115.85 1a9x s GLN 4377Ca 0.11 -0.22 -0.18 0.00 0.05 0.00 0.00 55.36 55.12 1a9x s GLN 4377Cb 0.16 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1a9x s GLN 4377CO 0.61 -0.07 1.22 -1.64 -0.55 0.00 0.00 175.29 174.86 1a9x s MET 4378N 1.44 2.87 0.00 1.67 -1.94 -0.34 -4.92 119.30 118.08 1a9x s MET 4378Ca 0.09 1.86 0.00 0.00 -1.71 0.00 0.00 55.69 55.93 1a9x s MET 4378Cb -0.15 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 34.78 1a9x s MET 4378CO 0.08 -1.30 0.07 1.63 -0.01 0.00 0.00 175.02 175.49 1a9x n LYS 4379N -1.69 0.57 -1.89 2.03 5.02 -1.26 -4.88 118.16 116.06 1a9x n LYS 4379Ca 0.14 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1a9x n LYS 4379Cb 0.49 -0.40 0.01 0.00 -0.02 0.00 0.00 35.03 35.12 1a9x n LYS 4379CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a9x s SER 4380N -0.10 6.02 0.00 4.39 1.04 -1.26 -4.63 113.70 119.16 1a9x s SER 4380Ca 0.00 1.54 0.08 0.00 0.48 0.00 0.00 55.95 58.05 1a9x s SER 4380Cb 0.00 -2.49 0.14 0.00 0.10 0.00 0.00 66.02 63.77 1a9x s SER 4380CO 0.00 -1.01 0.97 1.33 0.98 0.00 0.00 173.24 175.51 1a9x n VAL 4381N -2.59 0.46 -3.99 5.02 0.24 0.75 -4.38 118.33 113.84 1a9x n VAL 4381Ca 0.07 -0.73 0.01 0.00 -2.04 0.00 0.00 64.34 61.65 1a9x n VAL 4381Cb 0.54 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 1a9x n VAL 4381CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 4382N 0.39 0.36 3.53 7.63 0.00 -0.99 -4.22 105.19 111.89 1a9x n GLY 4382Ca 0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1a9x n GLY 4382CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 4383N -2.00 0.81 0.23 1.61 -1.05 -1.26 -0.28 118.70 116.76 1a9x s GLU 4383Ca 0.06 0.03 0.10 0.00 -0.15 0.00 0.00 54.97 55.02 1a9x s GLU 4383Cb -0.00 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1a9x s GLU 4383CO -0.00 -0.29 -0.13 0.54 0.95 0.00 0.00 175.26 176.32 1a9x s VAL 4384N -1.77 2.88 0.05 1.83 0.11 -0.61 -4.17 120.40 118.72 1a9x s VAL 4384Ca -0.02 -2.01 0.03 0.00 -2.93 0.00 0.00 61.98 57.04 1a9x s VAL 4384Cb -0.00 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1a9x s VAL 4384CO 0.00 -0.26 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.11 1a9x s MET 4385N -3.19 0.61 0.07 1.54 0.00 -0.62 -1.59 119.30 116.12 1a9x s MET 4385Ca 0.27 -0.84 -0.03 0.00 0.00 0.00 0.00 55.69 55.10 1a9x s MET 4385Cb -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 34.83 34.33 1a9x s MET 4385CO 0.15 0.07 0.04 0.00 0.00 0.00 0.00 175.02 175.29 1a9x s ALA 4386N -1.50 0.38 -0.01 4.11 0.00 -0.49 -4.82 121.76 119.44 1a9x s ALA 4386Ca -0.07 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.83 1a9x s ALA 4386Cb -0.09 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1a9x s ALA 4386CO 0.01 -0.43 -0.16 0.42 0.00 0.00 0.00 175.76 175.59 1a9x s ILE 4387N -3.93 1.29 0.11 0.00 1.01 -1.26 -1.55 121.20 116.87 1a9x s ILE 4387Ca 0.09 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1a9x s ILE 4387Cb 0.07 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1a9x s ILE 4387CO -0.08 0.34 0.32 -0.83 0.00 0.00 0.00 174.94 174.69 1a9x s GLY 4388N -0.46 -0.13 0.26 6.18 0.00 -0.28 -4.69 107.32 108.19 1a9x s GLY 4388Ca 0.06 -0.27 0.23 0.00 0.00 0.00 0.00 44.72 44.74 1a9x s GLY 4388CO -0.00 -0.49 1.69 0.54 0.00 0.00 0.00 173.10 174.83 1a9x n ARG 4389N -0.17 0.18 -3.94 2.90 5.12 -1.26 -0.04 116.66 119.45 1a9x n ARG 4389Ca -0.16 0.45 -0.08 0.00 -1.93 0.00 0.00 57.85 56.13 1a9x n ARG 4389Cb 0.63 -1.87 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 1a9x n ARG 4389CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a9x s THR 4390N -3.34 0.16 0.30 0.55 -4.23 -1.26 -4.58 115.64 103.24 1a9x s THR 4390Ca 0.03 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1a9x s THR 4390Cb 0.09 -1.45 0.27 0.00 1.34 0.00 0.00 72.50 72.75 1a9x s THR 4390CO 0.35 -0.72 1.94 -0.61 -0.54 0.00 0.00 174.62 175.04 1a9x h GLN 4391N 2.85 1.04 -0.04 3.99 5.75 -1.90 -0.23 115.11 126.57 1a9x h GLN 4391Ca -0.34 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1a9x h GLN 4391Cb 1.18 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.50 1a9x h GLN 4391CO 0.59 0.69 0.01 1.96 -2.65 0.00 0.00 178.83 179.43 1a9x h GLN 4392N 1.07 0.06 -0.40 1.69 4.20 -1.96 0.21 115.11 119.99 1a9x h GLN 4392Ca 0.35 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 1a9x h GLN 4392Cb 0.05 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1a9x h GLN 4392CO -0.11 0.22 0.25 1.49 -0.67 0.00 0.00 178.83 180.01 1a9x h GLU 4393N -0.11 0.55 0.13 1.46 4.81 -1.46 -1.78 114.58 118.17 1a9x h GLU 4393Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1a9x h GLU 4393Cb 0.18 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1a9x h GLU 4393CO -0.00 0.40 -0.06 1.03 -0.73 0.00 0.00 179.01 179.65 1a9x h SER 4394N 0.53 -0.14 -0.19 1.04 0.87 -0.94 -1.40 113.55 113.32 1a9x h SER 4394Ca 0.15 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1a9x h SER 4394Cb -0.01 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1a9x h SER 4394CO -0.03 -0.09 0.05 0.25 -0.53 0.00 0.00 176.83 176.48 1a9x h LEU 4395N -0.19 0.04 -1.32 2.23 5.85 -0.51 -1.27 115.31 120.14 1a9x h LEU 4395Ca -0.02 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1a9x h LEU 4395Cb 0.14 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1a9x h LEU 4395CO 0.03 0.05 0.14 1.56 -0.34 0.00 0.00 178.44 179.87 1a9x h GLN 4396N 0.13 0.60 -0.34 1.25 4.20 -1.19 -1.75 115.11 118.01 1a9x h GLN 4396Ca 0.08 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1a9x h GLN 4396Cb 0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1a9x h GLN 4396CO -0.10 0.53 -0.13 0.87 -0.67 0.00 0.00 178.83 179.32 1a9x h LYS 4397N 0.60 0.69 -0.42 1.46 1.57 -0.90 -2.54 116.57 117.02 1a9x h LYS 4397Ca 0.14 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a9x h LYS 4397Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1a9x h LYS 4397CO -0.01 0.88 0.26 0.00 -0.57 0.00 0.00 179.45 180.01 1a9x h ALA 4398N 0.79 0.54 -0.75 3.86 0.00 -0.59 -1.28 119.26 121.83 1a9x h ALA 4398Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a9x h ALA 4398Cb 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1a9x h ALA 4398CO 0.04 -0.06 0.48 -0.07 0.00 0.00 0.00 179.25 179.64 1a9x h LEU 4399N 0.52 0.79 0.00 0.00 3.38 -1.28 -0.90 115.31 117.83 1a9x h LEU 4399Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a9x h LEU 4399Cb -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1a9x h LEU 4399CO -0.07 0.55 0.00 -2.11 0.09 0.00 0.00 178.44 176.90 1a9x n ARG 4400N -4.62 0.20 0.00 1.13 1.85 -0.97 -2.62 116.66 111.64 1a9x n ARG 4400Ca 0.08 0.04 0.10 0.00 -1.00 0.00 0.00 57.85 57.07 1a9x n ARG 4400Cb 0.08 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.06 1a9x n ARG 4400CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a9x n GLY 4401N 1.13 0.52 0.01 2.89 0.00 -0.43 -4.46 105.19 104.85 1a9x n GLY 4401Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1a9x n GLY 4401CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a9x n LEU 4402N 0.95 0.03 -2.91 0.99 7.94 -0.66 -4.39 117.00 118.94 1a9x n LEU 4402Ca 0.11 0.51 -0.22 0.00 -1.11 0.00 0.00 56.01 55.31 1a9x n LEU 4402Cb 0.49 -0.51 0.04 0.00 0.53 0.00 0.00 43.42 43.97 1a9x n LEU 4402CO 0.15 -0.38 0.00 -0.62 -1.11 0.00 0.00 177.39 175.43 1a9x n GLU 4403N -1.54 -4.77 -0.21 1.96 -0.58 -1.26 -4.73 120.64 109.51 1a9x n GLU 4403Ca 0.02 0.88 0.07 0.00 -0.42 0.00 0.00 57.16 57.71 1a9x n GLU 4403Cb 0.10 -5.68 0.16 0.00 -0.57 0.00 0.00 31.44 25.45 1a9x n GLU 4403CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a9x n VAL 4404N -4.49 1.74 -0.20 2.62 0.24 -1.26 -4.95 118.33 112.03 1a9x n VAL 4404Ca -0.11 -1.72 0.00 0.00 -2.04 0.00 0.00 64.34 60.47 1a9x n VAL 4404Cb 0.62 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1a9x n VAL 4404CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 4405N -0.64 1.66 3.84 7.63 0.00 -1.26 -5.03 105.19 111.38 1a9x n GLY 4405Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1a9x n GLY 4405CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 4406N -2.87 2.97 0.00 4.61 0.00 -1.26 -4.96 121.76 120.25 1a9x s ALA 4406Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1a9x s ALA 4406Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1a9x s ALA 4406CO 0.00 -0.54 0.64 0.25 0.00 0.00 0.00 175.76 176.10 1a9x n THR 4407N -2.05 0.36 0.00 0.00 -2.24 -1.26 -4.49 114.28 104.60 1a9x n THR 4407Ca 0.07 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1a9x n THR 4407Cb 0.54 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1a9x n THR 4407CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4408N -0.18 -0.20 2.44 3.38 0.00 -1.26 -4.34 105.19 105.03 1a9x n GLY 4408Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1a9x n GLY 4408CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a9x n PHE 4409N 0.00 2.46 -1.81 1.61 3.72 -1.26 -4.86 117.46 117.33 1a9x n PHE 4409Ca 0.00 -2.81 -0.42 0.00 -0.05 0.00 0.00 57.45 54.18 1a9x n PHE 4409Cb 0.00 -1.94 -0.02 0.00 -0.94 0.00 0.00 39.48 36.58 1a9x n PHE 4409CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a9x s ASP 4410N 0.76 6.42 0.64 4.37 1.01 -1.26 -4.92 116.67 123.69 1a9x s ASP 4410Ca 0.58 2.88 -0.18 0.00 0.71 0.00 0.00 52.55 56.54 1a9x s ASP 4410Cb 0.20 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1a9x s ASP 4410CO -0.09 -0.89 1.23 -2.16 0.21 0.00 0.00 175.17 173.47 1a9x s PRO 4411N -0.06 2.64 -0.23 8.23 0.04 -1.26 -4.92 135.00 139.45 1a9x s PRO 4411Ca 0.65 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 1a9x s PRO 4411Cb -0.47 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 1a9x s PRO 4411CO 0.43 -1.48 -0.23 1.17 0.04 0.00 0.00 177.00 176.93 1a9x n LYS 4412N -1.97 0.53 -4.27 4.56 3.00 -1.26 -5.02 118.16 113.73 1a9x n LYS 4412Ca 0.14 0.16 -0.23 0.00 -0.00 0.00 0.00 58.31 58.38 1a9x n LYS 4412Cb 0.49 -1.40 -0.07 0.00 0.00 0.00 0.00 35.03 34.05 1a9x n LYS 4412CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1a9x s VAL 4413N -2.43 3.56 0.22 3.15 -7.23 -1.26 -5.12 120.40 111.29 1a9x s VAL 4413Ca -0.31 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 1a9x s VAL 4413Cb 0.09 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 1a9x s VAL 4413CO 0.47 -0.34 0.65 -0.94 -0.31 0.00 0.00 175.10 174.63 1a9x s SER 4414N -3.60 6.86 0.33 4.85 1.04 -1.26 -4.97 113.70 116.96 1a9x s SER 4414Ca 0.31 1.21 0.05 0.00 0.48 0.00 0.00 55.95 58.01 1a9x s SER 4414Cb -0.07 -2.34 0.58 0.00 0.10 0.00 0.00 66.02 64.29 1a9x s SER 4414CO 0.20 -0.02 1.83 -0.07 0.98 0.00 0.00 173.24 176.16 1a9x h LEU 4415N 3.06 0.40 -4.87 2.42 3.38 -1.99 -3.02 115.31 114.69 1a9x h LEU 4415Ca -0.48 -0.10 -0.76 0.00 0.09 0.00 0.00 57.88 56.63 1a9x h LEU 4415Cb 1.19 -0.11 -0.27 0.00 0.09 0.00 0.00 40.66 41.55 1a9x h LEU 4415CO 0.66 0.57 1.03 -0.90 0.09 0.00 0.00 178.44 179.89 1a9x n ASP 4416N -4.22 7.54 -4.29 -0.43 5.68 -1.26 -4.86 116.55 114.71 1a9x n ASP 4416Ca 0.00 -3.83 -0.35 0.00 -0.50 0.00 0.00 54.79 50.11 1a9x n ASP 4416Cb 0.31 -1.05 -0.14 0.00 -1.14 0.00 0.00 41.12 39.10 1a9x n ASP 4416CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a9x s ASP 4417N -1.19 4.16 0.46 -1.12 -1.08 -1.14 -4.98 116.67 111.78 1a9x s ASP 4417Ca 0.54 -0.42 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1a9x s ASP 4417Cb 0.45 -1.70 1.07 0.00 -1.46 0.00 0.00 42.92 41.28 1a9x s ASP 4417CO -0.37 -0.01 1.91 1.55 0.52 0.00 0.00 175.17 178.77 1a9x h PRO 4418N 8.04 0.00 -0.00 4.34 0.13 -1.91 -2.92 132.00 139.68 1a9x h PRO 4418Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1a9x h PRO 4418Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a9x h PRO 4418CO 0.61 0.22 -0.38 0.39 -0.23 0.00 0.00 178.00 178.60 1a9x n GLU 4419N -3.55 0.10 -0.21 0.86 1.02 -1.26 -4.53 120.64 113.08 1a9x n GLU 4419Ca -0.01 -0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1a9x n GLU 4419Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1a9x n GLU 4419CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 4420N 3.09 0.47 -0.31 0.62 0.00 -1.82 -1.32 119.26 119.99 1a9x h ALA 4420Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1a9x h ALA 4420Cb 0.49 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1a9x h ALA 4420CO 0.00 -0.42 0.29 -0.07 0.00 0.00 0.00 179.25 179.05 1a9x h LEU 4421N 0.02 0.00 0.00 0.00 3.38 -1.82 0.14 115.31 117.03 1a9x h LEU 4421Ca 0.31 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.10 1a9x h LEU 4421Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1a9x h LEU 4421CO -0.63 0.00 -0.72 0.74 0.09 0.00 0.00 178.44 177.92 1a9x h THR 4422N 0.00 1.39 -0.10 0.22 2.02 -1.57 -0.19 112.91 114.69 1a9x h THR 4422Ca 0.15 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.19 1a9x h THR 4422Cb 0.73 2.55 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1a9x h THR 4422CO -0.00 0.63 0.01 0.11 0.37 0.00 0.00 175.52 176.64 1a9x h LYS 4423N 0.02 0.17 -0.64 6.66 1.57 -1.11 -2.02 116.57 121.23 1a9x h LYS 4423Ca -0.09 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1a9x h LYS 4423Cb 1.42 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.65 1a9x h LYS 4423CO 0.14 0.38 0.32 0.82 -0.57 0.00 0.00 179.45 180.54 1a9x h ILE 4424N -0.07 0.89 -0.48 1.86 2.04 -0.84 -0.20 117.51 120.71 1a9x h ILE 4424Ca 0.03 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1a9x h ILE 4424Cb 0.30 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1a9x h ILE 4424CO 0.00 0.10 0.27 -0.09 0.00 0.00 0.00 178.15 178.44 1a9x h ARG 4425N 0.57 0.53 -0.19 2.37 2.43 -0.76 -1.94 114.38 117.39 1a9x h ARG 4425Ca 0.30 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1a9x h ARG 4425Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1a9x h ARG 4425CO -0.23 0.35 0.12 -0.09 -1.51 0.00 0.00 179.97 178.61 1a9x h ARG 4426N 0.54 0.26 0.00 0.20 1.12 -0.61 -1.32 114.38 114.57 1a9x h ARG 4426Ca 0.20 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.03 1a9x h ARG 4426Cb 0.05 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 29.95 1a9x h ARG 4426CO -0.11 0.21 -0.09 0.93 -3.11 0.00 0.00 179.97 177.81 1a9x h GLU 4427N 0.23 0.00 0.18 0.20 4.39 -0.80 -1.17 114.58 117.61 1a9x h GLU 4427Ca 0.07 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.44 1a9x h GLU 4427Cb 0.02 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1a9x h GLU 4427CO -0.01 0.09 -1.61 -0.07 -1.16 0.00 0.00 179.01 176.25 1a9x h LEU 4428N 0.00 0.60 -0.35 1.33 4.07 -1.07 -3.30 115.31 116.60 1a9x h LEU 4428Ca -0.00 -0.80 -0.18 0.00 0.08 0.00 0.00 57.88 56.98 1a9x h LEU 4428Cb 0.18 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1a9x h LEU 4428CO 0.01 1.66 -0.55 0.50 -1.08 0.00 0.00 178.44 178.98 1a9x h LYS 4429N 0.11 0.81 -2.83 1.13 3.64 -0.95 -3.35 116.57 115.13 1a9x h LYS 4429Ca -0.29 -0.51 -0.60 0.00 -1.27 0.00 0.00 60.65 57.98 1a9x h LYS 4429Cb 2.09 0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 33.57 1a9x h LYS 4429CO 0.20 1.14 -0.78 -0.51 -2.27 0.00 0.00 179.45 177.23 1a9x s ASP 4430N -6.95 3.34 0.29 4.20 1.01 -0.47 -4.90 116.67 113.19 1a9x s ASP 4430Ca -0.10 -2.53 -0.30 0.00 0.71 0.00 0.00 52.55 50.33 1a9x s ASP 4430Cb 0.10 -0.81 -0.12 0.00 1.01 0.00 0.00 42.92 43.10 1a9x s ASP 4430CO 0.88 -0.27 1.46 0.00 0.21 0.00 0.00 175.17 177.45 1a9x n ALA 4431N 3.64 1.80 -3.97 5.23 0.00 -1.24 -4.55 120.51 121.41 1a9x n ALA 4431Ca 0.11 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1a9x n ALA 4431Cb 0.36 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 1a9x n ALA 4431CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4432N 1.75 3.59 0.23 0.00 0.00 -1.26 0.89 105.19 110.39 1a9x n GLY 4432Ca 0.08 -2.24 0.16 0.00 0.00 0.00 0.00 46.02 44.02 1a9x n GLY 4432CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x h ALA 4433N 0.94 1.00 -0.36 4.61 0.00 -1.97 -3.09 119.26 120.39 1a9x h ALA 4433Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a9x h ALA 4433Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1a9x h ALA 4433CO 0.19 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1a9x n ASP 4434N -2.75 3.31 -0.32 0.00 8.00 -1.26 -4.62 116.55 118.92 1a9x n ASP 4434Ca 0.00 -1.95 0.18 0.00 0.71 0.00 0.00 54.79 53.73 1a9x n ASP 4434Cb 0.23 -0.23 0.36 0.00 -0.02 0.00 0.00 41.12 41.46 1a9x n ASP 4434CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1a9x h ARG 4435N 4.08 0.13 -0.84 -1.24 2.43 -1.81 -0.01 114.38 117.12 1a9x h ARG 4435Ca 0.00 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1a9x h ARG 4435Cb 0.92 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.36 1a9x h ARG 4435CO 0.00 0.09 0.45 0.97 -1.51 0.00 0.00 179.97 179.97 1a9x h ILE 4436N 0.13 0.80 -0.20 1.20 6.09 -1.87 -0.65 117.51 123.02 1a9x h ILE 4436Ca 0.63 -0.24 -0.18 0.00 -1.37 0.00 0.00 64.86 63.71 1a9x h ILE 4436Cb 1.39 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 38.73 1a9x h ILE 4436CO -0.74 0.13 -0.60 -0.50 -3.07 0.00 0.00 178.15 173.37 1a9x h TRP 4437N 0.69 0.83 0.00 2.19 6.55 -1.36 -3.15 115.95 121.71 1a9x h TRP 4437Ca 0.44 -0.31 -0.00 0.00 0.95 0.00 0.00 58.89 59.96 1a9x h TRP 4437Cb 0.53 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.68 1a9x h TRP 4437CO -0.08 1.09 -0.00 1.88 -1.05 0.00 0.00 178.44 180.28 1a9x h TYR 4438N 0.49 0.00 -0.19 0.49 0.05 -0.83 -2.57 116.97 114.41 1a9x h TYR 4438Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 1a9x h TYR 4438Cb 1.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 1a9x h TYR 4438CO 0.06 0.00 -0.59 0.82 -1.05 0.00 0.00 178.16 177.40 1a9x h ILE 4439N 0.00 1.32 0.00 -2.88 2.04 -1.20 0.89 117.51 117.68 1a9x h ILE 4439Ca -0.00 -1.84 -0.11 0.00 1.00 0.00 0.00 64.86 63.91 1a9x h ILE 4439Cb 0.43 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1a9x h ILE 4439CO 0.00 0.57 -0.54 0.00 0.00 0.00 0.00 178.15 178.19 1a9x h ALA 4440N 0.89 0.76 -0.32 1.87 0.00 -1.54 -2.53 119.26 118.39 1a9x h ALA 4440Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1a9x h ALA 4440Cb 1.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 4440CO 0.11 0.67 -0.44 -0.44 0.00 0.00 0.00 179.25 179.16 1a9x h ASP 4441N 0.00 0.94 -0.54 0.00 3.32 -1.12 -1.15 116.42 117.88 1a9x h ASP 4441Ca -0.01 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1a9x h ASP 4441Cb 1.25 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1a9x h ASP 4441CO 0.07 1.26 0.22 0.00 -1.72 0.00 0.00 179.24 179.06 1a9x h ALA 4442N 0.71 0.68 -0.44 3.45 0.00 -0.67 0.02 119.26 123.01 1a9x h ALA 4442Ca 0.04 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 4442Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1a9x h ALA 4442CO 0.10 -0.17 -0.22 0.74 0.00 0.00 0.00 179.25 179.70 1a9x h PHE 4443N 0.41 1.07 0.00 0.00 0.04 -1.29 -1.88 116.94 115.30 1a9x h PHE 4443Ca 0.26 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1a9x h PHE 4443Cb 0.27 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1a9x h PHE 4443CO -0.15 1.07 -0.05 0.00 -0.60 0.00 0.00 178.31 178.58 1a9x h ARG 4444N 0.76 0.00 -0.23 1.51 3.08 -0.26 -2.12 114.38 117.12 1a9x h ARG 4444Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a9x h ARG 4444Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1a9x h ARG 4444CO 0.07 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1a9x n ALA 4445N -2.41 2.50 -0.57 0.04 0.00 -0.10 -4.94 120.51 115.02 1a9x n ALA 4445Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1a9x n ALA 4445Cb 0.14 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1a9x n ALA 4445CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4446N 1.11 0.73 3.81 0.00 0.00 -0.80 -5.04 105.19 105.01 1a9x n GLY 4446Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1a9x n GLY 4446CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 4447N 0.00 3.84 0.59 0.99 1.43 -0.74 -5.03 118.68 119.76 1a9x s LEU 4447Ca 0.00 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1a9x s LEU 4447Cb 0.00 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.74 1a9x s LEU 4447CO 0.00 -0.62 0.83 -0.94 0.23 0.00 0.00 176.35 175.85 1a9x s SER 4448N -2.21 5.03 0.16 2.29 1.04 -1.26 -4.51 113.70 114.24 1a9x s SER 4448Ca 0.64 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1a9x s SER 4448Cb -0.13 -0.55 0.04 0.00 0.10 0.00 0.00 66.02 65.49 1a9x s SER 4448CO 0.19 -1.34 1.72 0.58 0.98 0.00 0.00 173.24 175.37 1a9x h VAL 4449N -0.06 1.21 -0.99 5.02 2.07 -1.96 -0.68 116.25 120.86 1a9x h VAL 4449Ca -0.40 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1a9x h VAL 4449Cb 1.29 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1a9x h VAL 4449CO 0.48 0.25 0.65 0.44 0.02 0.00 0.00 177.57 179.41 1a9x h ASP 4450N 0.70 1.12 -0.27 0.57 3.32 -1.98 0.45 116.42 120.32 1a9x h ASP 4450Ca 0.17 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1a9x h ASP 4450Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1a9x h ASP 4450CO -0.02 0.80 0.03 1.23 -1.72 0.00 0.00 179.24 179.57 1a9x h GLY 4451N 1.32 0.50 1.40 2.75 0.00 -1.78 -0.64 103.07 106.61 1a9x h GLY 4451Ca 0.37 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1a9x h GLY 4451CO -0.09 0.32 -0.02 -2.08 0.00 0.00 0.00 176.54 174.67 1a9x h VAL 4452N 0.27 1.24 -0.11 4.60 2.07 -0.90 -2.90 116.25 120.52 1a9x h VAL 4452Ca 0.08 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1a9x h VAL 4452Cb 0.36 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1a9x h VAL 4452CO 0.01 0.35 0.04 0.15 0.02 0.00 0.00 177.57 178.13 1a9x h PHE 4453N 0.68 0.06 -0.60 1.57 3.57 0.48 -1.58 116.94 121.12 1a9x h PHE 4453Ca 0.13 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1a9x h PHE 4453Cb 0.45 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1a9x h PHE 4453CO 0.02 0.03 0.40 -0.91 -2.23 0.00 0.00 178.31 175.63 1a9x h ASN 4454N 0.09 0.37 0.35 0.41 2.35 -0.93 0.11 115.58 118.33 1a9x h ASN 4454Ca 0.05 0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.48 1a9x h ASN 4454Cb 0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1a9x h ASN 4454CO -0.05 0.23 -1.64 -0.07 -1.65 0.00 0.00 177.43 174.24 1a9x h LEU 4455N 0.42 0.44 0.00 1.61 3.38 -1.38 -3.40 115.31 116.37 1a9x h LEU 4455Ca 0.28 -0.66 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 1a9x h LEU 4455Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1a9x h LEU 4455CO -0.08 1.56 -2.20 0.35 0.09 0.00 0.00 178.44 178.16 1a9x n THR 4456N -3.47 0.83 -1.15 0.22 -2.24 -0.62 -4.21 114.28 103.64 1a9x n THR 4456Ca -0.20 -0.71 -0.05 0.00 -2.27 0.00 0.00 64.05 60.82 1a9x n THR 4456Cb 1.05 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1a9x n THR 4456CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a9x n ASN 4457N -2.56 -4.32 -4.70 3.42 5.03 0.37 -4.69 115.26 107.81 1a9x n ASN 4457Ca -0.21 0.12 -0.41 0.00 0.87 0.00 0.00 54.58 54.96 1a9x n ASN 4457Cb 0.91 -2.27 -0.04 0.00 -1.02 0.00 0.00 39.78 37.37 1a9x n ASN 4457CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a9x s ILE 4458N -1.95 4.92 0.16 2.41 1.01 -1.26 -4.47 121.20 122.02 1a9x s ILE 4458Ca 0.00 1.76 -0.33 0.00 0.00 0.00 0.00 60.65 62.07 1a9x s ILE 4458Cb 0.00 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 1a9x s ILE 4458CO 0.00 0.14 1.29 -0.67 0.00 0.00 0.00 174.94 175.71 1a9x n ASP 4459N 4.27 1.87 0.11 3.58 -0.08 -1.26 -4.76 116.55 120.27 1a9x n ASP 4459Ca 0.04 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.63 1a9x n ASP 4459Cb 0.50 -1.27 0.75 0.00 2.34 0.00 0.00 41.12 43.44 1a9x n ASP 4459CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1a9x h ARG 4460N 4.07 0.00 -0.82 -0.67 3.08 -1.94 -0.01 114.38 118.10 1a9x h ARG 4460Ca -0.45 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.71 1a9x h ARG 4460Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.29 1a9x h ARG 4460CO 0.75 0.00 0.46 2.35 -1.07 0.00 0.00 179.97 182.45 1a9x h TRP 4461N 0.00 0.82 -0.00 3.04 7.01 -2.01 -0.30 115.95 124.50 1a9x h TRP 4461Ca 0.16 0.03 -0.20 0.00 2.11 0.00 0.00 58.89 60.99 1a9x h TRP 4461Cb 0.77 -0.24 0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1a9x h TRP 4461CO 0.00 0.30 -0.79 0.74 -2.79 0.00 0.00 178.44 175.90 1a9x h PHE 4462N 0.74 0.81 -0.59 2.65 0.04 -1.37 -3.36 116.94 115.86 1a9x h PHE 4462Ca 0.41 -0.44 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1a9x h PHE 4462Cb 0.43 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1a9x h PHE 4462CO -0.07 1.26 0.39 -0.07 -0.60 0.00 0.00 178.31 179.22 1a9x h LEU 4463N 0.12 0.66 -2.29 1.54 3.38 -0.75 -2.35 115.31 115.62 1a9x h LEU 4463Ca -0.10 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1a9x h LEU 4463Cb 1.48 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1a9x h LEU 4463CO 0.16 0.47 0.04 -0.37 0.09 0.00 0.00 178.44 178.83 1a9x h VAL 4464N 0.78 0.66 -0.10 1.22 -1.51 -1.24 -1.07 116.25 115.00 1a9x h VAL 4464Ca 0.22 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.46 1a9x h VAL 4464Cb -0.06 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.07 1a9x h VAL 4464CO -0.06 0.00 -0.85 1.56 -1.23 0.00 0.00 177.57 176.99 1a9x h GLN 4465N 0.00 0.69 -0.30 5.19 4.20 -1.56 0.70 115.11 124.02 1a9x h GLN 4465Ca 0.02 -0.62 -0.07 0.00 0.06 0.00 0.00 58.65 58.05 1a9x h GLN 4465Cb 0.11 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1a9x h GLN 4465CO -0.00 1.22 -0.07 0.82 -0.67 0.00 0.00 178.83 180.13 1a9x h ILE 4466N 0.45 1.28 -0.31 2.54 2.04 -1.27 -2.27 117.51 119.97 1a9x h ILE 4466Ca -0.07 -1.11 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1a9x h ILE 4466Cb 1.48 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1a9x h ILE 4466CO 0.17 0.36 0.04 -0.08 0.00 0.00 0.00 178.15 178.63 1a9x h GLU 4467N 0.36 0.14 -0.80 2.37 4.81 -1.16 -0.82 114.58 119.48 1a9x h GLU 4467Ca 0.08 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1a9x h GLU 4467Cb 0.56 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1a9x h GLU 4467CO 0.03 0.09 0.52 1.49 -0.73 0.00 0.00 179.01 180.41 1a9x h GLU 4468N 0.14 0.72 -0.41 1.92 4.81 -0.71 -1.59 114.58 119.47 1a9x h GLU 4468Ca 0.15 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1a9x h GLU 4468Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1a9x h GLU 4468CO -0.21 0.48 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.26 1a9x h LEU 4469N 0.74 0.82 -0.24 1.64 3.38 -0.57 -2.46 115.31 118.61 1a9x h LEU 4469Ca 0.36 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 4469Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1a9x h LEU 4469CO -0.14 1.01 0.15 0.58 0.09 0.00 0.00 178.44 180.12 1a9x h VAL 4470N 0.70 1.09 -0.47 1.22 2.07 -0.60 0.08 116.25 120.34 1a9x h VAL 4470Ca 0.10 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1a9x h VAL 4470Cb 0.73 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1a9x h VAL 4470CO 0.06 0.08 0.27 0.03 0.02 0.00 0.00 177.57 178.03 1a9x h ARG 4471N 0.30 0.53 -0.23 1.57 2.47 -1.27 -1.15 114.38 116.60 1a9x h ARG 4471Ca 0.09 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1a9x h ARG 4471Cb 0.01 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1a9x h ARG 4471CO -0.02 0.35 0.11 -0.07 0.56 0.00 0.00 179.97 180.91 1a9x h LEU 4472N 0.54 0.27 -0.64 3.04 3.38 -0.90 -2.02 115.31 119.00 1a9x h LEU 4472Ca 0.19 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 4472Cb 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a9x h LEU 4472CO -0.09 0.24 -0.07 -0.33 0.09 0.00 0.00 178.44 178.27 1a9x h GLU 4473N 0.32 1.00 0.04 1.13 5.08 0.06 -1.55 114.58 120.66 1a9x h GLU 4473Ca 0.08 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1a9x h GLU 4473Cb 0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1a9x h GLU 4473CO -0.01 1.02 -0.15 0.93 -1.00 0.00 0.00 179.01 179.79 1a9x h GLU 4474N 0.90 -0.27 -0.73 2.33 5.08 -0.53 -1.10 114.58 120.26 1a9x h GLU 4474Ca 0.15 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1a9x h GLU 4474Cb 0.62 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1a9x h GLU 4474CO 0.04 -0.18 0.38 -0.22 -1.00 0.00 0.00 179.01 178.03 1a9x h LYS 4475N -0.28 0.63 -0.50 2.33 3.64 -1.31 -0.65 116.57 120.43 1a9x h LYS 4475Ca 0.04 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1a9x h LYS 4475Cb 0.32 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1a9x h LYS 4475CO -0.12 0.42 0.32 0.28 -2.27 0.00 0.00 179.45 178.07 1a9x h VAL 4476N 0.65 1.10 -0.53 2.00 2.07 -0.59 0.28 116.25 121.23 1a9x h VAL 4476Ca 0.35 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1a9x h VAL 4476Cb 0.34 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1a9x h VAL 4476CO -0.25 0.12 0.34 0.00 0.02 0.00 0.00 177.57 177.79 1a9x h ALA 4477N 1.20 0.67 0.63 1.67 0.00 -0.50 0.66 119.26 123.58 1a9x h ALA 4477Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 4477Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a9x h ALA 4477CO -0.06 0.13 -0.30 0.93 0.00 0.00 0.00 179.25 179.94 1a9x h GLU 4478N 0.71 -0.81 0.00 0.00 5.08 -0.68 -3.31 114.58 115.57 1a9x h GLU 4478Ca 0.19 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1a9x h GLU 4478Cb -0.06 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a9x h GLU 4478CO -0.04 -0.51 -0.15 -0.39 -1.00 0.00 0.00 179.01 176.92 1a9x h VAL 4479N -0.97 0.31 -2.51 3.13 -1.51 -0.40 -3.50 116.25 110.79 1a9x h VAL 4479Ca -0.09 -1.17 0.19 0.00 -1.23 0.00 0.00 66.70 64.40 1a9x h VAL 4479Cb 0.68 1.93 -0.05 0.00 -2.13 0.00 0.00 31.29 31.73 1a9x h VAL 4479CO 0.14 0.15 -0.25 0.61 -1.23 0.00 0.00 177.57 176.99 1a9x n GLY 4480N 0.68 -1.45 0.43 5.19 0.00 0.22 -1.98 105.19 108.28 1a9x n GLY 4480Ca 0.02 -1.09 0.24 0.00 0.00 0.00 0.00 46.02 45.20 1a9x n GLY 4480CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 4481N -0.65 0.63 0.00 -0.61 2.10 -1.83 0.28 117.51 117.43 1a9x h ILE 4481Ca 0.01 -0.02 -0.07 0.00 1.08 0.00 0.00 64.86 65.87 1a9x h ILE 4481Cb 0.64 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1a9x h ILE 4481CO 0.00 0.01 -0.32 0.74 -1.08 0.00 0.00 178.15 177.51 1a9x h THR 4482N 0.06 0.79 -0.01 2.19 2.02 -1.97 -2.09 112.91 113.90 1a9x h THR 4482Ca 0.37 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1a9x h THR 4482Cb 1.40 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1a9x h THR 4482CO -0.03 0.31 -0.04 0.61 0.37 0.00 0.00 175.52 176.75 1a9x n GLY 4483N 0.11 -0.55 2.75 2.16 0.00 0.98 -4.51 105.19 106.13 1a9x n GLY 4483Ca -0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1a9x n GLY 4483CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9x n LEU 4484N -0.48 6.99 -4.84 0.99 4.77 -0.79 -4.86 117.00 118.78 1a9x n LEU 4484Ca 0.19 -4.47 -0.31 0.00 -0.03 0.00 0.00 56.01 51.38 1a9x n LEU 4484Cb 0.26 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 39.83 1a9x n LEU 4484CO 0.19 1.39 0.71 0.54 -1.33 0.00 0.00 177.39 178.89 1a9x s ASN 4485N 1.70 6.02 0.29 -1.43 2.20 -1.26 -4.74 114.94 117.72 1a9x s ASN 4485Ca 0.45 1.55 0.03 0.00 -0.94 0.00 0.00 52.86 53.95 1a9x s ASN 4485Cb 0.12 -2.49 0.74 0.00 -2.00 0.00 0.00 41.25 37.63 1a9x s ASN 4485CO -0.04 -1.01 1.65 0.00 -2.94 0.00 0.00 177.10 174.77 1a9x h ALA 4486N -0.11 1.35 -0.29 3.54 0.00 -1.98 0.17 119.26 121.93 1a9x h ALA 4486Ca -0.45 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1a9x h ALA 4486Cb 1.20 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1a9x h ALA 4486CO 0.60 -0.46 -0.49 -0.44 0.00 0.00 0.00 179.25 178.46 1a9x h ASP 4487N 0.24 0.93 0.03 0.00 3.32 -1.97 -0.61 116.42 118.36 1a9x h ASP 4487Ca 0.57 -0.52 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 1a9x h ASP 4487Cb 1.16 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1a9x h ASP 4487CO -0.64 1.28 -0.70 0.15 -1.72 0.00 0.00 179.24 177.61 1a9x h PHE 4488N 0.62 0.80 -0.67 4.55 3.57 -1.61 -2.72 116.94 121.49 1a9x h PHE 4488Ca 0.02 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 1a9x h PHE 4488Cb 1.09 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1a9x h PHE 4488CO 0.07 1.12 0.32 1.25 -2.23 0.00 0.00 178.31 178.84 1a9x h LEU 4489N 0.43 0.86 0.07 0.59 5.85 -0.63 0.28 115.31 122.75 1a9x h LEU 4489Ca -0.03 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1a9x h LEU 4489Cb 1.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1a9x h LEU 4489CO 0.13 0.73 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.84 1a9x h ARG 4490N 0.95 -0.09 -0.98 1.25 2.43 -1.00 -1.61 114.38 115.32 1a9x h ARG 4490Ca 0.23 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.49 1a9x h ARG 4490Cb 0.10 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1a9x h ARG 4490CO -0.03 0.11 0.63 0.37 -1.51 0.00 0.00 179.97 179.55 1a9x h GLN 4491N -0.29 1.06 -0.40 0.20 4.15 -1.28 0.22 115.11 118.77 1a9x h GLN 4491Ca -0.01 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1a9x h GLN 4491Cb 0.25 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1a9x h GLN 4491CO 0.02 0.70 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.40 1a9x h LEU 4492N 1.09 0.81 -0.64 -2.39 3.38 -0.61 -2.45 115.31 114.50 1a9x h LEU 4492Ca 0.44 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1a9x h LEU 4492Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a9x h LEU 4492CO -0.19 1.01 0.30 0.11 0.09 0.00 0.00 178.44 179.76 1a9x h LYS 4493N 0.61 0.93 0.00 1.13 1.79 -0.71 -0.65 116.57 119.66 1a9x h LYS 4493Ca 0.09 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1a9x h LYS 4493Cb 0.69 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1a9x h LYS 4493CO 0.05 0.76 0.00 0.00 -1.08 0.00 0.00 179.45 179.17 1a9x h ARG 4494N 0.89 0.00 -0.50 3.15 3.08 -0.44 0.49 114.38 121.05 1a9x h ARG 4494Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1a9x h ARG 4494Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1a9x h ARG 4494CO -0.03 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.50 1a9x n LYS 4495N -2.75 2.25 -0.48 0.04 4.76 -0.29 -4.57 118.16 117.12 1a9x n LYS 4495Ca -0.01 -1.94 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1a9x n LYS 4495Cb 0.12 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1a9x n LYS 4495CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a9x n GLY 4496N 1.37 0.75 3.72 0.72 0.00 0.16 -3.38 105.19 108.53 1a9x n GLY 4496Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 4496CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 4497N -2.35 3.31 0.47 1.61 0.08 -0.96 -4.50 117.98 115.65 1a9x s PHE 4497Ca 0.00 1.08 -0.21 0.00 0.12 0.00 0.00 56.93 57.93 1a9x s PHE 4497Cb 0.00 -3.59 -0.09 0.00 -0.57 0.00 0.00 43.02 38.77 1a9x s PHE 4497CO 0.00 -1.98 1.03 0.00 -0.10 0.00 0.00 175.22 174.17 1a9x s ALA 4498N 1.04 2.90 0.39 5.36 0.00 -1.26 -4.65 121.76 125.54 1a9x s ALA 4498Ca 0.62 0.60 0.05 0.00 0.00 0.00 0.00 51.96 53.23 1a9x s ALA 4498Cb -0.34 -3.25 0.78 0.00 0.00 0.00 0.00 23.12 20.31 1a9x s ALA 4498CO 0.30 -0.27 2.04 -0.44 0.00 0.00 0.00 175.76 177.39 1a9x h ASP 4499N 1.66 0.56 -0.46 0.00 3.32 -1.93 -2.45 116.42 117.12 1a9x h ASP 4499Ca -0.49 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 1a9x h ASP 4499Cb 1.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1a9x h ASP 4499CO 0.59 0.41 0.06 0.00 -1.72 0.00 0.00 179.24 178.59 1a9x h ALA 4500N 1.69 1.13 -0.20 3.45 0.00 -1.91 0.14 119.26 123.56 1a9x h ALA 4500Ca 0.18 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1a9x h ALA 4500Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a9x h ALA 4500CO -0.04 0.57 -0.60 -0.09 0.00 0.00 0.00 179.25 179.10 1a9x h ARG 4501N 0.80 0.67 -0.25 0.00 9.65 -1.68 -2.40 114.38 121.17 1a9x h ARG 4501Ca 0.16 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 1a9x h ARG 4501Cb 0.39 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1a9x h ARG 4501CO 0.01 1.07 0.06 -0.07 2.80 0.00 0.00 179.97 183.83 1a9x h LEU 4502N 0.50 0.38 -0.88 3.80 3.38 -1.19 -0.97 115.31 120.32 1a9x h LEU 4502Ca -0.00 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1a9x h LEU 4502Cb 1.18 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1a9x h LEU 4502CO 0.12 0.52 0.53 0.00 0.09 0.00 0.00 178.44 179.70 1a9x h ALA 4503N 0.87 1.27 0.75 1.53 0.00 -0.93 -0.67 119.26 122.09 1a9x h ALA 4503Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 4503Cb 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1a9x h ALA 4503CO 0.00 0.17 -0.36 0.87 0.00 0.00 0.00 179.25 179.93 1a9x h LYS 4504N 0.89 -0.97 -0.01 0.00 1.57 -0.92 0.27 116.57 117.39 1a9x h LYS 4504Ca 0.42 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1a9x h LYS 4504Cb 0.36 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1a9x h LYS 4504CO -0.24 -0.63 0.02 -0.07 -0.57 0.00 0.00 179.45 177.96 1a9x h LEU 4505N -1.11 0.00 -1.84 2.94 3.38 -0.80 -1.50 115.31 116.38 1a9x h LEU 4505Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1a9x h LEU 4505Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1a9x h LEU 4505CO 0.17 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1a9x n ALA 4506N -2.31 2.47 -2.61 1.53 0.00 -0.29 -4.03 120.51 115.27 1a9x n ALA 4506Ca -0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1a9x n ALA 4506Cb 0.10 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1a9x n ALA 4506CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4507N 1.34 0.02 2.48 0.00 0.00 0.19 -4.39 105.19 104.83 1a9x n GLY 4507Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1a9x n GLY 4507CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a9x n VAL 4508N -3.94 0.00 -2.97 1.61 0.24 0.71 -5.02 118.33 108.97 1a9x n VAL 4508Ca -0.07 -1.72 -0.35 0.00 -2.04 0.00 0.00 64.34 60.15 1a9x n VAL 4508Cb 0.57 0.55 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 1a9x n VAL 4508CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1a9x s ARG 4509N -3.17 4.31 0.26 7.34 6.06 -1.26 -4.20 118.95 128.29 1a9x s ARG 4509Ca 0.11 1.01 -0.02 0.00 -2.50 0.00 0.00 55.73 54.33 1a9x s ARG 4509Cb 0.01 -2.69 0.47 0.00 0.06 0.00 0.00 34.95 32.80 1a9x s ARG 4509CO 0.08 0.27 1.81 1.49 -2.50 0.00 0.00 175.30 176.45 1a9x h GLU 4510N 2.96 0.83 -0.32 5.12 4.81 -1.90 -0.02 114.58 126.06 1a9x h GLU 4510Ca -0.48 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1a9x h GLU 4510Cb 1.19 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1a9x h GLU 4510CO 0.65 0.55 0.30 0.00 -0.73 0.00 0.00 179.01 179.77 1a9x h ALA 4511N 1.50 2.06 -0.12 2.92 0.00 -1.93 0.31 119.26 124.00 1a9x h ALA 4511Ca 0.44 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.15 1a9x h ALA 4511Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a9x h ALA 4511CO -0.27 -0.46 -0.70 0.93 0.00 0.00 0.00 179.25 178.75 1a9x h GLU 4512N 0.00 0.54 -0.41 0.00 5.08 -1.38 0.15 114.58 118.56 1a9x h GLU 4512Ca 0.15 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1a9x h GLU 4512Cb 0.74 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1a9x h GLU 4512CO -0.00 1.04 0.03 0.82 -1.00 0.00 0.00 179.01 179.90 1a9x h ILE 4513N 0.38 1.25 -0.31 3.13 1.08 -1.00 -1.87 117.51 120.17 1a9x h ILE 4513Ca -0.03 -0.96 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1a9x h ILE 4513Cb 1.29 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 1a9x h ILE 4513CO 0.13 0.33 0.18 -0.09 -0.69 0.00 0.00 178.15 178.01 1a9x h ARG 4514N 0.55 0.36 -0.52 2.37 2.43 -1.00 -1.14 114.38 117.43 1a9x h ARG 4514Ca 0.12 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1a9x h ARG 4514Cb 0.43 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1a9x h ARG 4514CO 0.02 0.24 0.22 0.87 -1.51 0.00 0.00 179.97 179.80 1a9x h LYS 4515N 0.37 0.75 -0.63 0.20 1.57 -0.49 -1.94 116.57 116.41 1a9x h LYS 4515Ca 0.12 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1a9x h LYS 4515Cb -0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1a9x h LYS 4515CO -0.05 0.61 0.29 1.25 -0.57 0.00 0.00 179.45 180.98 1a9x h LEU 4516N 0.74 0.83 -0.76 2.94 5.85 -0.89 -0.47 115.31 123.55 1a9x h LEU 4516Ca 0.18 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1a9x h LEU 4516Cb 0.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1a9x h LEU 4516CO -0.02 0.74 0.41 0.03 -0.34 0.00 0.00 178.44 179.26 1a9x h ARG 4517N 0.87 1.06 -0.84 1.25 3.08 -0.74 -0.74 114.38 118.31 1a9x h ARG 4517Ca 0.21 -0.13 0.14 0.00 0.07 0.00 0.00 59.98 60.28 1a9x h ARG 4517Cb 0.13 -0.21 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 1a9x h ARG 4517CO -0.03 0.79 0.43 -0.44 -1.07 0.00 0.00 179.97 179.66 1a9x h ASP 4518N 1.05 0.52 -0.27 7.04 5.19 -0.81 0.44 116.42 129.58 1a9x h ASP 4518Ca 0.27 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1a9x h ASP 4518Cb 0.05 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1a9x h ASP 4518CO -0.04 0.22 0.14 -0.61 -3.12 0.00 0.00 179.24 175.83 1a9x h GLN 4519N 0.62 0.38 -0.30 3.56 4.15 0.27 -1.88 115.11 121.90 1a9x h GLN 4519Ca 0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.83 1a9x h GLN 4519Cb 0.64 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1a9x h GLN 4519CO -0.36 0.35 0.00 0.66 -1.93 0.00 0.00 178.83 177.55 1a9x n TYR 4520N -4.82 0.39 -3.59 3.99 4.01 -0.49 -4.90 117.16 111.75 1a9x n TYR 4520Ca -0.02 -0.20 -0.24 0.00 -0.16 0.00 0.00 57.90 57.28 1a9x n TYR 4520Cb 0.09 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1a9x n TYR 4520CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1a9x n ASP 4521N 0.48 -4.27 -4.03 7.72 2.03 0.85 -4.93 116.55 114.39 1a9x n ASP 4521Ca 0.13 -0.88 -0.32 0.00 0.52 0.00 0.00 54.79 54.24 1a9x n ASP 4521Cb 0.31 -4.03 -0.13 0.00 -0.72 0.00 0.00 41.12 36.55 1a9x n ASP 4521CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1a9x s LEU 4522N -6.28 4.79 0.07 -2.67 2.96 0.12 -5.01 118.68 112.66 1a9x s LEU 4522Ca 0.32 -2.46 0.05 0.00 -0.22 0.00 0.00 54.13 51.82 1a9x s LEU 4522Cb -0.09 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1a9x s LEU 4522CO 0.82 -0.37 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.33 1a9x s HIS 4523N 0.49 1.28 0.99 5.38 3.76 -1.26 -4.52 115.29 121.41 1a9x s HIS 4523Ca 0.13 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 1a9x s HIS 4523Cb -0.22 -0.72 0.18 0.00 1.11 0.00 0.00 32.58 32.93 1a9x s HIS 4523CO -0.04 0.07 1.11 -1.25 -0.85 0.00 0.00 174.74 173.78 1a9x s PRO 4524N -1.65 0.47 0.34 8.40 0.04 -1.26 -4.88 135.00 136.46 1a9x s PRO 4524Ca -0.01 0.36 0.09 0.00 0.04 0.00 0.00 61.00 61.48 1a9x s PRO 4524Cb -0.10 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1a9x s PRO 4524CO 0.02 -2.67 -0.08 0.14 0.04 0.00 0.00 177.00 174.45 1a9x s VAL 4525N -3.09 2.27 -0.07 -0.36 -7.23 0.14 -4.93 120.40 107.13 1a9x s VAL 4525Ca 0.66 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1a9x s VAL 4525Cb -0.16 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1a9x s VAL 4525CO 0.56 -0.20 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.71 1a9x s TYR 4526N -2.60 2.76 0.26 2.82 1.51 -1.26 -1.43 117.35 119.40 1a9x s TYR 4526Ca 0.33 -0.23 0.11 0.00 -1.01 0.00 0.00 57.07 56.26 1a9x s TYR 4526Cb 0.02 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1a9x s TYR 4526CO 0.17 0.12 -0.12 0.15 -1.11 0.00 0.00 175.55 174.76 1a9x s LYS 4527N -0.50 1.92 0.04 -0.62 -0.14 -0.84 0.43 119.74 120.03 1a9x s LYS 4527Ca 0.07 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.14 1a9x s LYS 4527Cb -0.12 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 1a9x s LYS 4527CO 0.02 0.36 -0.06 1.03 -0.76 0.00 0.00 175.35 175.93 1a9x s ARG 4528N -3.45 2.46 0.11 1.68 0.52 -1.26 -1.41 118.95 117.59 1a9x s ARG 4528Ca 0.29 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 1a9x s ARG 4528Cb -0.06 -2.47 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 1a9x s ARG 4528CO 0.16 0.57 0.99 0.08 0.02 0.00 0.00 175.30 177.13 1a9x s VAL 4529N -1.11 4.42 0.00 3.52 1.01 0.78 -4.94 120.40 124.08 1a9x s VAL 4529Ca 0.20 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1a9x s VAL 4529Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1a9x s VAL 4529CO 0.11 0.29 0.25 -0.90 0.00 0.00 0.00 175.10 174.84 1a9x n ASP 4530N 2.88 0.00 0.00 3.32 5.68 -1.26 -4.75 116.55 122.42 1a9x n ASP 4530Ca 0.03 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1a9x n ASP 4530Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1a9x n ASP 4530CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1a9x n THR 4531N 0.00 0.00 -1.16 2.12 -2.24 -1.14 -4.66 114.28 107.21 1a9x n THR 4531Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1a9x n THR 4531Cb 0.39 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1a9x n THR 4531CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a9x n ALA 4533N -0.79 -1.20 -1.01 0.00 0.00 -0.22 -2.26 120.51 115.04 1a9x n ALA 4533Ca 0.08 0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.81 1a9x n ALA 4533Cb 0.59 -4.60 -0.00 0.00 0.00 0.00 0.00 19.45 15.43 1a9x n ALA 4533CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 4534N -4.43 -0.01 0.21 0.00 0.00 -1.26 -4.89 120.51 110.13 1a9x n ALA 4534Ca -0.01 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1a9x n ALA 4534Cb 0.56 -0.78 0.46 0.00 0.00 0.00 0.00 19.45 19.70 1a9x n ALA 4534CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a9x h GLU 4535N 0.48 0.00 -5.24 0.00 4.81 -1.86 -3.43 114.58 109.33 1a9x h GLU 4535Ca -0.01 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.83 1a9x h GLU 4535Cb 0.51 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.68 1a9x h GLU 4535CO 0.01 0.28 -0.77 -0.06 -0.73 0.00 0.00 179.01 177.74 1a9x s PHE 4536N -3.86 1.14 0.69 0.92 0.08 -1.26 -5.15 117.98 110.54 1a9x s PHE 4536Ca -0.01 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.46 1a9x s PHE 4536Cb 0.12 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.93 1a9x s PHE 4536CO 0.66 0.04 1.06 0.00 -0.10 0.00 0.00 175.22 176.87 1a9x s ALA 4537N -1.30 2.73 0.09 5.36 0.00 -1.26 -4.97 121.76 122.41 1a9x s ALA 4537Ca -0.03 0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1a9x s ALA 4537Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1a9x s ALA 4537CO 0.02 -1.16 -0.08 -0.08 0.00 0.00 0.00 175.76 174.46 1a9x s THR 4538N -3.08 0.78 -0.34 0.00 -1.32 -1.26 -4.55 115.64 105.86 1a9x s THR 4538Ca 0.58 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 1a9x s THR 4538Cb -0.13 -1.33 0.02 0.00 -1.51 0.00 0.00 72.50 69.55 1a9x s THR 4538CO 0.55 -0.64 0.57 0.47 -2.21 0.00 0.00 174.62 173.36 1a9x n ASP 4539N 0.52 1.20 -4.85 8.08 8.00 -1.25 -4.99 116.55 123.26 1a9x n ASP 4539Ca -0.16 -1.10 -0.33 0.00 0.71 0.00 0.00 54.79 53.91 1a9x n ASP 4539Cb 0.58 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 1a9x n ASP 4539CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9x s THR 4540N -0.26 4.68 -0.90 -3.53 2.01 -1.26 -5.01 115.64 111.36 1a9x s THR 4540Ca 0.03 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 1a9x s THR 4540Cb 0.02 -3.64 0.23 0.00 0.01 0.00 0.00 72.50 69.11 1a9x s THR 4540CO 0.04 -0.12 0.81 0.00 -0.69 0.00 0.00 174.62 174.65 1a9x n ALA 4541N -0.20 3.85 -3.98 7.40 0.00 -1.26 -4.93 120.51 121.39 1a9x n ALA 4541Ca 0.03 -4.61 -0.31 0.00 0.00 0.00 0.00 53.44 48.55 1a9x n ALA 4541Cb 0.53 -1.71 -0.15 0.00 0.00 0.00 0.00 19.45 18.12 1a9x n ALA 4541CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a9x s TYR 4542N -1.45 3.45 0.36 0.00 5.04 -1.26 -1.03 117.35 122.45 1a9x s TYR 4542Ca 0.28 -2.81 0.09 0.00 -2.44 0.00 0.00 57.07 52.19 1a9x s TYR 4542Cb -0.06 -2.74 -0.06 0.00 0.35 0.00 0.00 41.96 39.44 1a9x s TYR 4542CO -0.12 -0.94 -0.04 -1.64 -1.34 0.00 0.00 175.55 171.47 1a9x s MET 4543N 1.01 1.92 0.01 4.97 -1.94 -0.15 -0.16 119.30 124.97 1a9x s MET 4543Ca 0.11 -1.92 -0.07 0.00 -1.71 0.00 0.00 55.69 52.10 1a9x s MET 4543Cb -0.19 -1.76 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 1a9x s MET 4543CO -0.11 0.10 0.13 1.52 -0.01 0.00 0.00 175.02 176.65 1a9x s TYR 4544N -2.60 0.08 0.34 -0.03 1.13 -0.50 -1.26 117.35 114.50 1a9x s TYR 4544Ca 0.34 -0.22 -0.11 0.00 -1.41 0.00 0.00 57.07 55.67 1a9x s TYR 4544Cb 0.03 -0.07 -0.07 0.00 -1.10 0.00 0.00 41.96 40.76 1a9x s TYR 4544CO 0.18 -0.31 0.70 -1.54 -2.51 0.00 0.00 175.55 172.06 1a9x s SER 4545N -1.58 6.58 0.02 -0.18 1.04 -1.26 -1.98 113.70 116.34 1a9x s SER 4545Ca -0.12 1.07 -0.28 0.00 0.48 0.00 0.00 55.95 57.10 1a9x s SER 4545Cb -0.06 -2.29 0.08 0.00 0.10 0.00 0.00 66.02 63.84 1a9x s SER 4545CO 0.00 -0.28 0.69 0.28 0.98 0.00 0.00 173.24 174.92 1a9x s THR 4546N -2.16 0.00 -1.19 2.02 -1.32 -0.52 -4.78 115.64 107.69 1a9x s THR 4546Ca 0.50 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1a9x s THR 4546Cb -0.10 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.11 1a9x s THR 4546CO 0.26 0.00 1.90 -1.22 -2.21 0.00 0.00 174.62 173.35 1a9x n TYR 4547N 0.31 2.62 -3.15 9.09 4.02 -1.26 0.26 117.16 129.05 1a9x n TYR 4547Ca -0.17 -2.70 0.00 0.00 -0.01 0.00 0.00 57.90 55.03 1a9x n TYR 4547Cb 0.61 -1.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.32 1a9x n TYR 4547CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1a9x n GLU 4548N 1.96 2.29 -0.00 -0.72 2.13 -1.26 -4.81 120.64 120.22 1a9x n GLU 4548Ca 0.43 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.25 1a9x n GLU 4548Cb 0.31 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.02 1a9x n GLU 4548CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1a9x h GLU 4549N 0.00 -0.01 -6.00 5.31 4.39 -1.99 -3.42 114.58 112.87 1a9x h GLU 4549Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1a9x h GLU 4549Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1a9x h GLU 4549CO 0.00 -0.01 -0.01 -2.00 -1.16 0.00 0.00 179.01 175.83 1a9x s GLU 4550N -1.23 4.35 -0.16 2.33 2.12 -1.26 -4.96 118.70 119.89 1a9x s GLU 4550Ca -0.00 0.71 -0.15 0.00 0.36 0.00 0.00 54.97 55.89 1a9x s GLU 4550Cb 0.00 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1a9x s GLU 4550CO 0.01 0.25 0.36 0.00 -0.54 0.00 0.00 175.26 175.33 1a9x n GLU 4552N 3.78 2.89 -0.06 0.00 1.02 0.17 -4.64 120.64 123.81 1a9x n GLU 4552Ca -0.10 -2.60 -0.10 0.00 -0.02 0.00 0.00 57.16 54.34 1a9x n GLU 4552Cb 0.52 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1a9x n GLU 4552CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 4553N 3.88 0.28 -6.96 0.62 0.00 -1.94 -3.47 119.26 111.67 1a9x h ALA 4553Ca 0.00 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1a9x h ALA 4553Cb 1.01 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1a9x h ALA 4553CO 0.03 -0.21 -1.00 0.09 0.00 0.00 0.00 179.25 178.17 1a9x n ASN 4554N -4.90 -2.43 -4.65 0.00 3.02 -1.26 -4.88 115.26 100.16 1a9x n ASN 4554Ca -0.03 -1.28 -0.34 0.00 -0.03 0.00 0.00 54.58 52.90 1a9x n ASN 4554Cb 0.05 -1.72 0.11 0.00 -0.61 0.00 0.00 39.78 37.62 1a9x n ASN 4554CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1a9x n PRO 4555N -4.88 0.28 -2.07 3.52 -0.04 -1.26 -4.98 135.00 125.56 1a9x n PRO 4555Ca -0.19 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.12 1a9x n PRO 4555Cb 0.61 -2.34 -0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1a9x n PRO 4555CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a9x s SER 4556N -1.95 6.13 0.00 3.54 0.01 -1.26 -4.95 113.70 115.22 1a9x s SER 4556Ca 0.73 1.61 0.01 0.00 1.31 0.00 0.00 55.95 59.61 1a9x s SER 4556Cb -0.31 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1a9x s SER 4556CO 0.51 -0.93 0.06 0.35 0.41 0.00 0.00 173.24 173.65 1a9x n THR 4557N -2.17 0.00 0.09 1.44 -2.24 -1.26 -4.66 114.28 105.48 1a9x n THR 4557Ca 0.07 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1a9x n THR 4557Cb 0.54 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.62 1a9x n THR 4557CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1a9x h ASP 4558N 0.00 0.43 -2.65 3.42 3.58 -2.03 -3.49 116.42 115.69 1a9x h ASP 4558Ca 0.00 -0.50 -0.59 0.00 0.42 0.00 0.00 57.03 56.37 1a9x h ASP 4558Cb 0.03 -0.14 -0.11 0.00 1.72 0.00 0.00 39.33 40.84 1a9x h ASP 4558CO 0.00 1.40 -0.65 -0.13 -2.88 0.00 0.00 179.24 176.97 1a9x s ARG 4559N -2.64 2.36 -0.22 0.28 0.52 -1.26 -5.08 118.95 112.90 1a9x s ARG 4559Ca -0.06 -1.21 -0.27 0.00 -0.52 0.00 0.00 55.73 53.67 1a9x s ARG 4559Cb 0.07 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1a9x s ARG 4559CO 0.88 0.42 0.95 -1.21 0.02 0.00 0.00 175.30 176.36 1a9x s GLU 4560N -3.20 4.24 0.03 3.54 2.02 -1.26 -4.93 118.70 119.14 1a9x s GLU 4560Ca 0.29 1.19 0.05 0.00 0.02 0.00 0.00 54.97 56.52 1a9x s GLU 4560Cb -0.08 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 1a9x s GLU 4560CO 0.19 -0.56 -0.10 0.15 0.02 0.00 0.00 175.26 174.96 1a9x s LYS 4561N 2.96 2.37 -0.12 1.61 1.02 -1.26 -1.27 119.74 125.05 1a9x s LYS 4561Ca 0.41 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1a9x s LYS 4561Cb -0.15 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1a9x s LYS 4561CO 0.07 0.57 -0.13 0.42 -0.92 0.00 0.00 175.35 175.37 1a9x s ILE 4562N -1.02 1.39 -0.14 2.17 1.01 -0.85 0.52 121.20 124.27 1a9x s ILE 4562Ca 0.17 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 1a9x s ILE 4562Cb -0.11 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1a9x s ILE 4562CO 0.08 0.43 0.12 -0.32 0.00 0.00 0.00 174.94 175.24 1a9x s MET 4563N 1.36 3.59 -0.12 2.79 -2.45 -0.44 -0.45 119.30 123.58 1a9x s MET 4563Ca 0.01 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.26 1a9x s MET 4563Cb -0.13 -3.20 -0.01 0.00 1.25 0.00 0.00 34.83 32.74 1a9x s MET 4563CO -0.07 0.63 -0.18 0.08 1.05 0.00 0.00 175.02 176.53 1a9x s VAL 4564N -0.60 2.56 -0.29 10.11 1.01 0.29 -0.66 120.40 132.82 1a9x s VAL 4564Ca 0.12 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1a9x s VAL 4564Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1a9x s VAL 4564CO 0.02 0.54 0.17 -0.76 0.00 0.00 0.00 175.10 175.07 1a9x s LEU 4565N 0.44 4.01 1.07 3.92 1.43 -0.94 -0.59 118.68 128.01 1a9x s LEU 4565Ca -0.13 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1a9x s LEU 4565Cb -0.17 -2.07 0.25 0.00 0.03 0.00 0.00 46.19 44.23 1a9x s LEU 4565CO 0.06 -0.10 1.27 -0.83 0.23 0.00 0.00 176.35 176.98 1a9x s GLY 4566N 1.71 1.74 -0.17 -3.19 0.00 -0.11 -3.34 107.32 103.96 1a9x s GLY 4566Ca 0.06 -1.22 0.16 0.00 0.00 0.00 0.00 44.72 43.72 1a9x s GLY 4566CO 0.09 -0.36 1.42 0.61 0.00 0.00 0.00 173.10 174.85 1a9x n GLY 4567N -2.90 3.94 7.00 0.20 0.00 -1.25 -4.36 105.19 107.82 1a9x n GLY 4567Ca 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1a9x n GLY 4567CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4568N -0.42 0.42 3.71 -0.02 0.00 -1.26 -4.71 105.19 102.90 1a9x n GLY 4568Ca 0.21 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1a9x n GLY 4568CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 4569N 0.00 1.56 0.39 1.61 0.04 -1.26 -4.44 135.00 132.91 1a9x s PRO 4569Ca 0.00 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1a9x s PRO 4569Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 1a9x s PRO 4569CO 0.00 -2.21 0.90 -0.80 0.04 0.00 0.00 177.00 174.93 1a9x s ASN 4570N -2.87 6.95 0.19 6.66 -0.87 -1.26 -4.91 114.94 118.83 1a9x s ASN 4570Ca 0.65 1.61 -0.16 0.00 -1.57 0.00 0.00 52.86 53.39 1a9x s ASN 4570Cb -0.21 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.53 1a9x s ASN 4570CO 0.56 -0.29 0.49 -0.13 -2.57 0.00 0.00 177.10 175.16 1a9x s ARG 4571N -2.99 1.34 -0.06 -0.60 3.00 -1.13 -3.60 118.95 114.92 1a9x s ARG 4571Ca 0.59 -0.89 -0.36 0.00 0.00 0.00 0.00 55.73 55.06 1a9x s ARG 4571Cb -0.10 0.50 -0.14 0.00 0.00 0.00 0.00 34.95 35.21 1a9x s ARG 4571CO 0.15 -0.56 1.71 -0.89 0.00 0.00 0.00 175.30 175.71 1a9x n ILE 4572N -0.32 0.31 0.00 1.52 5.41 -1.26 -0.01 119.36 125.00 1a9x n ILE 4572Ca -0.10 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1a9x n ILE 4572Cb 0.63 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1a9x n ILE 4572CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 4573N 3.87 1.79 2.50 7.39 0.00 -1.26 -4.88 105.19 114.61 1a9x n GLY 4573Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1a9x n GLY 4573CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a9x n GLN 4574N -2.00 1.98 0.00 1.61 1.13 0.98 -5.01 117.38 116.07 1a9x n GLN 4574Ca 0.00 -4.06 0.00 0.00 -1.94 0.00 0.00 57.00 51.00 1a9x n GLN 4574Cb 0.00 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.43 1a9x n GLN 4574CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 4575N 0.25 1.67 0.35 1.08 0.00 -1.23 -2.82 105.19 104.48 1a9x n GLY 4575Ca 0.27 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.67 1a9x n GLY 4575CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 4576N 0.00 0.77 -1.00 -0.61 2.10 -1.92 -2.68 117.51 114.16 1a9x h ILE 4576Ca 0.00 0.00 0.14 0.00 1.08 0.00 0.00 64.86 66.08 1a9x h ILE 4576Cb 0.00 0.81 -0.09 0.00 -1.09 0.00 0.00 36.82 36.45 1a9x h ILE 4576CO 0.00 0.00 0.63 -0.33 -1.08 0.00 0.00 178.15 177.37 1a9x h GLU 4577N 0.00 0.91 -0.39 2.19 3.07 -1.89 -1.60 114.58 116.87 1a9x h GLU 4577Ca 0.17 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.82 1a9x h GLU 4577Cb 0.70 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1a9x h GLU 4577CO -0.00 0.60 -0.37 0.74 -1.40 0.00 0.00 179.01 178.57 1a9x h PHE 4578N 0.93 1.11 -0.57 4.33 0.04 -1.74 -2.89 116.94 118.16 1a9x h PHE 4578Ca 0.51 -0.33 -0.08 0.00 2.80 0.00 0.00 57.97 60.87 1a9x h PHE 4578Cb 0.58 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1a9x h PHE 4578CO -0.00 1.16 0.04 0.22 -0.60 0.00 0.00 178.31 179.12 1a9x h ASP 4579N 0.76 0.91 -0.86 2.17 3.58 -1.48 -1.57 116.42 119.94 1a9x h ASP 4579Ca 0.06 -0.22 0.01 0.00 0.42 0.00 0.00 57.03 57.30 1a9x h ASP 4579Cb 0.97 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1a9x h ASP 4579CO 0.09 0.94 0.57 0.22 -2.88 0.00 0.00 179.24 178.18 1a9x h TYR 4580N 0.88 1.08 -0.06 0.28 5.03 -1.27 0.15 116.97 123.07 1a9x h TYR 4580Ca 0.17 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 1a9x h TYR 4580Cb 0.46 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 1a9x h TYR 4580CO 0.03 0.68 0.03 0.00 -1.32 0.00 0.00 178.16 177.58 1a9x h VAL 4583N 1.25 0.97 -0.98 0.00 2.07 -0.40 -2.61 116.25 116.54 1a9x h VAL 4583Ca 0.34 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.92 1a9x h VAL 4583Cb -0.13 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1a9x h VAL 4583CO -0.07 0.01 0.63 0.45 0.02 0.00 0.00 177.57 178.61 1a9x h HIS 4584N 0.05 1.14 -0.63 1.57 3.86 -0.74 -0.67 115.15 119.72 1a9x h HIS 4584Ca 0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1a9x h HIS 4584Cb 0.03 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 1a9x h HIS 4584CO -0.10 0.55 0.25 0.00 0.86 0.00 0.00 177.93 179.49 1a9x h ALA 4585N 1.50 0.82 0.42 2.45 0.00 -1.08 -0.18 119.26 123.20 1a9x h ALA 4585Ca 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 4585Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a9x h ALA 4585CO -0.19 0.44 -0.20 1.03 0.00 0.00 0.00 179.25 180.33 1a9x h SER 4586N 0.89 -0.48 0.11 0.00 0.87 -1.02 -1.62 113.55 112.30 1a9x h SER 4586Ca 0.21 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1a9x h SER 4586Cb 0.21 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1a9x h SER 4586CO -0.02 -0.31 -0.24 -0.07 -0.53 0.00 0.00 176.83 175.66 1a9x h LEU 4587N -0.60 -0.67 -0.48 2.23 3.38 -1.03 -0.33 115.31 117.81 1a9x h LEU 4587Ca -0.06 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 4587Cb 0.46 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1a9x h LEU 4587CO 0.09 -0.32 0.22 0.00 0.09 0.00 0.00 178.44 178.52 1a9x h ALA 4588N 0.33 0.60 0.00 1.53 0.00 -1.02 -1.21 119.26 119.49 1a9x h ALA 4588Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1a9x h ALA 4588Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1a9x h ALA 4588CO -0.14 -0.15 -0.63 -0.07 0.00 0.00 0.00 179.25 178.26 1a9x h LEU 4589N 0.43 0.00 -0.16 0.00 3.38 -1.10 -2.07 115.31 115.79 1a9x h LEU 4589Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1a9x h LEU 4589Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1a9x h LEU 4589CO -0.18 0.63 -0.04 -0.09 0.09 0.00 0.00 178.44 178.85 1a9x h ARG 4590N 0.00 0.31 -0.53 1.13 2.43 -0.84 0.19 114.38 117.06 1a9x h ARG 4590Ca -0.01 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1a9x h ARG 4590Cb 1.46 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.96 1a9x h ARG 4590CO 0.08 0.59 0.35 1.49 -1.51 0.00 0.00 179.97 180.97 1a9x h GLU 4591N 0.00 0.48 -0.00 0.20 4.57 -1.19 0.26 114.58 118.91 1a9x h GLU 4591Ca 0.04 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1a9x h GLU 4591Cb 0.48 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1a9x h GLU 4591CO 0.02 0.32 -0.00 -0.25 -1.18 0.00 0.00 179.01 177.92 1a9x n ASP 4592N -4.47 0.00 0.00 1.04 9.92 -0.78 -4.90 116.55 117.35 1a9x n ASP 4592Ca 0.07 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1a9x n ASP 4592Cb 0.22 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1a9x n ASP 4592CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a9x n GLY 4593N 1.39 1.41 3.84 0.44 0.00 0.92 -5.07 105.19 108.12 1a9x n GLY 4593Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1a9x n GLY 4593CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 4594N -2.01 3.35 -0.24 1.61 2.02 0.58 -4.85 117.35 117.81 1a9x s TYR 4594Ca 0.00 1.43 -0.20 0.00 -0.37 0.00 0.00 57.07 57.93 1a9x s TYR 4594Cb 0.00 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1a9x s TYR 4594CO 0.00 -0.69 0.63 -2.00 -1.57 0.00 0.00 175.55 171.92 1a9x s GLU 4595N -4.41 4.14 -0.05 -0.62 2.12 -0.40 -4.16 118.70 115.31 1a9x s GLU 4595Ca 0.59 0.57 -0.13 0.00 0.36 0.00 0.00 54.97 56.36 1a9x s GLU 4595Cb -0.12 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 1a9x s GLU 4595CO 0.40 -0.37 0.34 0.95 -0.54 0.00 0.00 175.26 176.04 1a9x s THR 4596N 2.36 5.17 -0.17 -1.70 -4.23 -1.26 -2.01 115.64 113.80 1a9x s THR 4596Ca 0.27 0.68 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1a9x s THR 4596Cb -0.16 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1a9x s THR 4596CO 0.09 0.55 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.90 1a9x s ILE 4597N -0.76 1.92 -0.15 2.99 1.01 0.41 -1.49 121.20 125.14 1a9x s ILE 4597Ca 0.21 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1a9x s ILE 4597Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1a9x s ILE 4597CO 0.10 0.52 0.05 -0.32 0.00 0.00 0.00 174.94 175.28 1a9x s MET 4598N 1.29 3.65 -0.22 2.79 1.75 -0.53 0.11 119.30 128.15 1a9x s MET 4598Ca 0.04 -0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1a9x s MET 4598Cb -0.13 -3.08 0.04 0.00 2.84 0.00 0.00 34.83 34.50 1a9x s MET 4598CO -0.11 0.43 -0.13 0.08 -0.65 0.00 0.00 175.02 174.64 1a9x s VAL 4599N -0.09 1.93 0.09 10.11 1.01 0.24 -1.01 120.40 132.67 1a9x s VAL 4599Ca 0.06 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.54 1a9x s VAL 4599Cb -0.12 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1a9x s VAL 4599CO 0.01 0.17 0.87 0.21 0.00 0.00 0.00 175.10 176.36 1a9x s ASN 4600N 1.26 -0.31 0.00 3.32 2.47 -0.71 -0.94 114.94 120.03 1a9x s ASN 4600Ca -0.03 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.07 1a9x s ASN 4600Cb -0.17 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.10 1a9x s ASN 4600CO -0.08 -0.80 0.97 0.00 -3.72 0.00 0.00 177.10 173.47 1a9x s ASN 4602N -0.94 6.47 0.00 0.00 3.84 -1.26 -1.59 114.94 121.45 1a9x s ASN 4602Ca 0.00 0.09 0.18 0.00 0.21 0.00 0.00 52.86 53.34 1a9x s ASN 4602Cb 0.00 -2.39 0.80 0.00 -0.55 0.00 0.00 41.25 39.11 1a9x s ASN 4602CO -0.00 -0.85 1.57 -0.81 -2.79 0.00 0.00 177.10 174.22 1a9x n PRO 4603N 6.63 0.06 0.00 0.43 -0.04 -1.26 -3.42 135.00 137.40 1a9x n PRO 4603Ca 0.03 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1a9x n PRO 4603Cb 0.48 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.80 1a9x n PRO 4603CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a9x n GLU 4604N -1.45 0.23 -3.98 0.54 1.02 -1.26 -4.53 120.64 111.20 1a9x n GLU 4604Ca 0.05 -0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 1a9x n GLU 4604Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1a9x n GLU 4604CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1a9x s THR 4605N -2.85 2.79 0.35 2.62 -4.23 -1.22 -2.74 115.64 110.35 1a9x s THR 4605Ca 0.16 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1a9x s THR 4605Cb 0.18 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 71.20 1a9x s THR 4605CO 0.62 -0.10 1.91 0.58 -0.54 0.00 0.00 174.62 177.10 1a9x h VAL 4606N 1.39 1.18 0.00 2.29 2.07 -1.91 -2.55 116.25 118.72 1a9x h VAL 4606Ca -0.43 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1a9x h VAL 4606Cb 1.26 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1a9x h VAL 4606CO 0.64 0.24 -0.05 0.77 0.02 0.00 0.00 177.57 179.18 1a9x h SER 4607N 0.48 0.00 -0.54 0.57 4.64 -1.92 -1.80 113.55 114.98 1a9x h SER 4607Ca 0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1a9x h SER 4607Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1a9x h SER 4607CO 0.00 0.05 0.07 0.35 -0.87 0.00 0.00 176.83 176.43 1a9x n THR 4608N -3.74 2.71 -2.98 2.95 -2.24 -0.96 -4.87 114.28 105.15 1a9x n THR 4608Ca -0.02 -1.62 -0.41 0.00 -2.27 0.00 0.00 64.05 59.72 1a9x n THR 4608Cb 0.15 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 1a9x n THR 4608CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 4609N -1.17 6.82 0.61 3.42 -1.08 -0.68 -4.94 116.67 119.66 1a9x s ASP 4609Ca 0.52 1.01 0.30 0.00 -0.52 0.00 0.00 52.55 53.86 1a9x s ASP 4609Cb 0.41 -2.41 1.67 0.00 -1.46 0.00 0.00 42.92 41.13 1a9x s ASP 4609CO 0.13 -0.37 2.04 0.10 0.52 0.00 0.00 175.17 177.60 1a9x h TYR 4610N 7.46 0.00 0.00 -5.34 -0.00 -1.89 -1.90 116.97 115.30 1a9x h TYR 4610Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.43 1a9x h TYR 4610Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.86 1a9x h TYR 4610CO 0.72 0.00 -0.06 -0.44 -0.00 0.00 0.00 178.16 178.38 1a9x h ASP 4611N 0.00 0.00 0.44 0.10 3.32 -1.92 -3.25 116.42 115.12 1a9x h ASP 4611Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1a9x h ASP 4611Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1a9x h ASP 4611CO -0.00 0.06 -0.46 0.74 -1.72 0.00 0.00 179.24 177.86 1a9x h THR 4612N 0.00 1.33 -4.50 0.35 2.02 -1.61 -3.47 112.91 107.03 1a9x h THR 4612Ca -0.00 -1.58 -0.34 0.00 0.77 0.00 0.00 66.41 65.25 1a9x h THR 4612Cb 0.41 1.84 -0.14 0.00 -1.74 0.00 0.00 68.15 68.52 1a9x h THR 4612CO 0.01 0.45 -0.57 -0.94 0.37 0.00 0.00 175.52 174.84 1a9x s SER 4613N -6.90 0.89 0.13 4.18 1.04 -1.23 -4.32 113.70 107.49 1a9x s SER 4613Ca -0.02 -1.52 -0.09 0.00 0.48 0.00 0.00 55.95 54.79 1a9x s SER 4613Cb 0.14 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 1a9x s SER 4613CO 0.74 -0.90 1.36 0.44 0.98 0.00 0.00 173.24 175.86 1a9x h ASP 4614N 2.40 0.82 -3.58 7.02 3.32 -1.73 -3.45 116.42 121.22 1a9x h ASP 4614Ca -0.33 -0.52 -0.38 0.00 0.02 0.00 0.00 57.03 55.82 1a9x h ASP 4614Cb 1.24 -0.24 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 1a9x h ASP 4614CO 0.49 1.31 -0.76 -0.13 -1.72 0.00 0.00 179.24 178.42 1a9x s ARG 4615N -3.76 0.62 -0.12 3.56 0.52 -0.55 -4.48 118.95 114.74 1a9x s ARG 4615Ca -0.09 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 1a9x s ARG 4615Cb 0.09 -0.66 0.01 0.00 0.52 0.00 0.00 34.95 34.91 1a9x s ARG 4615CO 0.89 -0.04 -0.22 -1.17 0.02 0.00 0.00 175.30 174.77 1a9x s LEU 4616N 0.68 2.05 -0.30 2.53 2.96 -0.20 -1.45 118.68 124.95 1a9x s LEU 4616Ca -0.08 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1a9x s LEU 4616Cb -0.12 -1.38 0.04 0.00 0.50 0.00 0.00 46.19 45.23 1a9x s LEU 4616CO -0.00 0.11 0.03 -0.31 -1.32 0.00 0.00 176.35 174.86 1a9x s TYR 4617N 0.61 3.21 -1.20 5.38 2.02 -0.18 -0.97 117.35 126.21 1a9x s TYR 4617Ca -0.13 -1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 54.91 1a9x s TYR 4617Cb -0.17 -2.17 0.20 0.00 -0.40 0.00 0.00 41.96 39.42 1a9x s TYR 4617CO 0.03 -0.73 1.46 0.34 -1.57 0.00 0.00 175.55 175.08 1a9x n PHE 4618N 4.73 4.53 -4.19 2.71 -0.00 -0.39 -1.73 117.46 123.11 1a9x n PHE 4618Ca -0.14 -3.32 -0.12 0.00 -0.00 0.00 0.00 57.45 53.88 1a9x n PHE 4618Cb 0.45 -2.01 -0.10 0.00 -0.00 0.00 0.00 39.48 37.82 1a9x n PHE 4618CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1a9x s GLU 4619N 0.61 0.91 0.35 -4.13 0.41 -0.94 -4.56 118.70 111.35 1a9x s GLU 4619Ca 0.40 -1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 53.29 1a9x s GLU 4619Cb -0.01 -0.31 -0.11 0.00 -1.78 0.00 0.00 34.13 31.92 1a9x s GLU 4619CO -0.01 -0.00 1.51 -2.14 -0.49 0.00 0.00 175.26 174.13 1a9x s PRO 4620N -3.82 4.12 -1.19 0.39 0.02 -1.26 -3.66 135.00 129.59 1a9x s PRO 4620Ca 0.14 2.57 -0.14 0.00 0.02 0.00 0.00 61.00 63.58 1a9x s PRO 4620Cb 0.05 -2.99 0.17 0.00 0.02 0.00 0.00 34.50 31.75 1a9x s PRO 4620CO -0.03 -0.55 1.42 0.08 -0.33 0.00 0.00 177.00 177.58 1a9x s VAL 4621N -0.82 5.01 0.21 3.83 1.01 -1.26 -4.54 120.40 123.85 1a9x s VAL 4621Ca 0.56 -2.57 0.07 0.00 0.00 0.00 0.00 61.98 60.03 1a9x s VAL 4621Cb -0.47 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 30.96 1a9x s VAL 4621CO 0.59 -1.62 -0.12 0.42 0.00 0.00 0.00 175.10 174.37 1a9x s THR 4622N 1.65 1.64 0.25 3.92 -4.23 -1.26 -4.85 115.64 112.76 1a9x s THR 4622Ca 0.42 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1a9x s THR 4622Cb -0.03 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 71.93 1a9x s THR 4622CO -0.00 -0.54 1.89 0.25 -0.54 0.00 0.00 174.62 175.68 1a9x h LEU 4623N 2.52 1.02 0.55 4.79 5.85 -1.95 -1.20 115.31 126.88 1a9x h LEU 4623Ca -0.38 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 4623Cb 1.22 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1a9x h LEU 4623CO 0.63 0.70 -0.26 -0.08 -0.34 0.00 0.00 178.44 179.09 1a9x h GLU 4624N 1.19 -0.71 -0.78 1.25 4.81 -1.96 -0.56 114.58 117.82 1a9x h GLU 4624Ca 0.37 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1a9x h GLU 4624Cb -0.01 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1a9x h GLU 4624CO -0.12 -0.45 0.39 -0.44 -0.73 0.00 0.00 179.01 177.66 1a9x h ASP 4625N -0.80 1.01 -0.41 1.04 3.32 -1.80 -2.74 116.42 116.04 1a9x h ASP 4625Ca -0.08 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 1a9x h ASP 4625Cb 0.59 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1a9x h ASP 4625CO 0.12 0.84 -0.14 0.58 -1.72 0.00 0.00 179.24 178.92 1a9x h VAL 4626N 1.11 1.28 -0.41 -1.35 2.07 -1.17 -2.85 116.25 114.92 1a9x h VAL 4626Ca 0.27 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1a9x h VAL 4626Cb 0.09 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1a9x h VAL 4626CO -0.04 0.42 0.10 -0.07 0.02 0.00 0.00 177.57 178.01 1a9x h LEU 4627N 0.63 0.56 -1.15 2.57 3.38 -0.89 0.58 115.31 121.00 1a9x h LEU 4627Ca 0.10 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1a9x h LEU 4627Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1a9x h LEU 4627CO 0.05 0.56 -0.09 -0.33 0.09 0.00 0.00 178.44 178.72 1a9x h GLU 4628N 0.60 0.49 0.11 1.13 4.39 -1.33 -0.92 114.58 119.05 1a9x h GLU 4628Ca 0.14 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1a9x h GLU 4628Cb 0.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1a9x h GLU 4628CO -0.00 0.58 -0.05 0.82 -1.16 0.00 0.00 179.01 179.20 1a9x h ILE 4629N 0.46 1.08 -0.89 3.13 2.04 -1.17 -3.12 117.51 119.03 1a9x h ILE 4629Ca 0.09 -1.20 0.13 0.00 1.00 0.00 0.00 64.86 64.87 1a9x h ILE 4629Cb 0.44 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 1a9x h ILE 4629CO 0.02 0.27 0.58 0.58 0.00 0.00 0.00 178.15 179.60 1a9x h VAL 4630N -0.76 0.89 -0.69 1.67 2.07 -0.81 -0.28 116.25 118.35 1a9x h VAL 4630Ca -0.02 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1a9x h VAL 4630Cb 0.55 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1a9x h VAL 4630CO 0.02 0.14 0.30 -0.09 0.02 0.00 0.00 177.57 177.97 1a9x h ARG 4631N 0.78 0.49 0.00 1.57 2.43 -1.15 0.22 114.38 118.72 1a9x h ARG 4631Ca 0.44 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.39 1a9x h ARG 4631Cb 0.59 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1a9x h ARG 4631CO -0.20 0.33 -1.59 0.44 -1.51 0.00 0.00 179.97 177.44 1a9x n ILE 4632N -4.93 1.17 0.06 1.20 -5.35 -0.68 -4.39 119.36 106.45 1a9x n ILE 4632Ca 0.11 -0.71 -0.13 0.00 -0.27 0.00 0.00 62.75 61.75 1a9x n ILE 4632Cb 0.30 -0.69 -0.13 0.00 -1.74 0.00 0.00 39.64 37.38 1a9x n ILE 4632CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1a9x h GLU 4633N 0.00 0.16 -6.36 6.28 4.39 -0.90 -3.46 114.58 114.69 1a9x h GLU 4633Ca -0.21 -0.27 -0.47 0.00 0.34 0.00 0.00 59.36 58.75 1a9x h GLU 4633Cb 1.66 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 30.38 1a9x h GLU 4633CO 0.04 1.04 -0.84 1.63 -1.16 0.00 0.00 179.01 179.72 1a9x n LYS 4634N -3.40 -4.14 -0.98 2.33 5.02 0.05 -4.91 118.16 112.12 1a9x n LYS 4634Ca -0.09 0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 56.36 1a9x n LYS 4634Cb 1.01 -4.94 0.13 0.00 -0.02 0.00 0.00 35.03 31.21 1a9x n LYS 4634CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1a9x n PRO 4635N -4.40 -0.01 0.03 1.97 -0.04 -1.26 -4.82 135.00 126.47 1a9x n PRO 4635Ca -0.22 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.11 1a9x n PRO 4635Cb 0.64 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.70 1a9x n PRO 4635CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1a9x h LYS 4636N -1.17 0.70 -3.41 0.54 3.64 -0.29 -3.46 116.57 113.13 1a9x h LYS 4636Ca -0.45 -0.74 -0.09 0.00 -1.27 0.00 0.00 60.65 58.10 1a9x h LYS 4636Cb 1.29 0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 33.16 1a9x h LYS 4636CO 0.43 1.31 -0.25 0.20 -2.27 0.00 0.00 179.45 178.87 1a9x s GLY 4637N -4.27 -0.10 -0.05 5.01 0.00 -0.94 -4.82 107.32 102.15 1a9x s GLY 4637Ca -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.53 1a9x s GLY 4637CO 0.92 -0.33 -0.14 0.14 0.00 0.00 0.00 173.10 173.68 1a9x s VAL 4638N -2.92 1.24 -0.29 1.40 1.01 -0.26 -1.33 120.40 119.24 1a9x s VAL 4638Ca -0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1a9x s VAL 4638Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1a9x s VAL 4638CO -0.06 0.37 0.16 -0.63 0.00 0.00 0.00 175.10 174.94 1a9x s ILE 4639N 0.32 4.88 -0.81 2.22 1.01 0.16 -1.45 121.20 127.53 1a9x s ILE 4639Ca -0.09 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1a9x s ILE 4639Cb -0.13 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1a9x s ILE 4639CO 0.03 0.18 0.62 1.33 0.00 0.00 0.00 174.94 177.10 1a9x n VAL 4640N 5.01 0.00 0.93 2.92 0.24 -1.26 -2.22 118.33 123.95 1a9x n VAL 4640Ca -0.14 -0.45 0.12 0.00 -2.04 0.00 0.00 64.34 61.82 1a9x n VAL 4640Cb 0.51 1.12 0.30 0.00 -1.47 0.00 0.00 33.84 34.30 1a9x n VAL 4640CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a9x n GLN 4641N -0.04 2.06 -0.06 7.34 3.00 -1.26 -3.56 117.38 124.85 1a9x n GLN 4641Ca 0.04 -1.58 -0.05 0.00 -0.01 0.00 0.00 57.00 55.39 1a9x n GLN 4641Cb 0.18 -1.45 -0.12 0.00 0.00 0.00 0.00 30.24 28.84 1a9x n GLN 4641CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1a9x n TYR 4642N 0.83 0.00 1.12 1.08 4.02 -1.26 -2.18 117.16 120.76 1a9x n TYR 4642Ca 0.17 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.08 1a9x n TYR 4642Cb 0.46 -0.70 0.07 0.00 -0.02 0.00 0.00 39.34 39.16 1a9x n TYR 4642CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a9x n GLY 4643N 1.97 0.63 4.74 2.72 0.00 -1.21 -4.48 105.19 109.55 1a9x n GLY 4643Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1a9x n GLY 4643CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 4644N 0.47 -1.47 0.21 -0.02 0.00 -1.26 -3.76 105.19 99.36 1a9x n GLY 4644Ca 0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1a9x n GLY 4644CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a9x h GLN 4645N 0.00 0.11 -0.33 1.61 1.08 -1.94 -3.02 115.11 112.62 1a9x h GLN 4645Ca 0.00 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1a9x h GLN 4645Cb 0.00 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 1a9x h GLN 4645CO 0.00 0.07 -0.39 1.15 -0.95 0.00 0.00 178.83 178.71 1a9x h THR 4646N 0.12 0.00 0.00 -0.54 2.02 -1.85 0.67 112.91 113.33 1a9x h THR 4646Ca 0.27 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.38 1a9x h THR 4646Cb 0.42 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1a9x h THR 4646CO -0.45 0.00 -0.37 1.55 0.37 0.00 0.00 175.52 176.62 1a9x h PRO 4647N -0.24 0.00 -0.59 6.66 0.13 -1.76 -3.10 132.00 133.10 1a9x h PRO 4647Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1a9x h PRO 4647Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1a9x h PRO 4647CO -0.44 0.37 0.23 1.25 -0.23 0.00 0.00 178.00 179.18 1a9x h LEU 4648N 0.00 0.82 0.00 1.56 5.85 -1.22 -0.28 115.31 122.04 1a9x h LEU 4648Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1a9x h LEU 4648Cb 0.91 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1a9x h LEU 4648CO 0.05 0.77 0.00 0.29 -0.34 0.00 0.00 178.44 179.21 1a9x n LYS 4649N -4.47 0.70 0.00 1.25 5.02 0.15 -2.72 118.16 118.10 1a9x n LYS 4649Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1a9x n LYS 4649Cb 0.17 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1a9x n LYS 4649CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a9x n LEU 4650N -0.87 0.91 -0.06 -0.35 4.77 -0.13 -4.68 117.00 116.60 1a9x n LEU 4650Ca 0.12 -0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1a9x n LEU 4650Cb 0.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1a9x n LEU 4650CO 0.09 0.21 0.60 0.00 -1.33 0.00 0.00 177.39 176.96 1a9x h ALA 4651N 2.32 -0.46 -0.26 -1.18 0.00 -1.40 0.11 119.26 118.39 1a9x h ALA 4651Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1a9x h ALA 4651Cb 0.40 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1a9x h ALA 4651CO 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.39 1a9x h ARG 4652N -0.40 0.08 -0.66 0.00 2.47 -1.83 -0.41 114.38 113.64 1a9x h ARG 4652Ca 0.11 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1a9x h ARG 4652Cb 0.59 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1a9x h ARG 4652CO -0.47 0.05 0.26 0.00 0.56 0.00 0.00 179.97 180.38 1a9x h ALA 4653N 1.23 0.85 0.10 0.04 0.00 -1.78 0.57 119.26 120.27 1a9x h ALA 4653Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a9x h ALA 4653Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a9x h ALA 4653CO -0.21 0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 179.39 1a9x h LEU 4654N 0.93 -0.11 -1.24 0.00 3.38 -0.45 -1.78 115.31 116.03 1a9x h LEU 4654Ca 0.22 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1a9x h LEU 4654Cb 0.21 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1a9x h LEU 4654CO -0.02 -0.01 0.53 -0.08 0.09 0.00 0.00 178.44 178.96 1a9x h GLU 4655N -0.21 0.95 -0.09 1.13 4.81 -0.97 -1.54 114.58 118.66 1a9x h GLU 4655Ca -0.01 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1a9x h GLU 4655Cb 0.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1a9x h GLU 4655CO 0.02 0.63 -0.28 0.00 -0.73 0.00 0.00 179.01 178.65 1a9x h ALA 4656N 1.53 1.37 -0.02 2.92 0.00 -0.55 -1.70 119.26 122.82 1a9x h ALA 4656Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 4656Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a9x h ALA 4656CO -0.10 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1a9x n ALA 4657N -2.48 2.63 0.00 0.00 0.00 -0.66 -4.88 120.51 115.11 1a9x n ALA 4657Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a9x n ALA 4657Cb 0.36 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1a9x n ALA 4657CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4658N 0.93 0.12 3.74 0.00 0.00 -0.64 -5.05 105.19 104.29 1a9x n GLY 4658Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1a9x n GLY 4658CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4659N -2.00 2.01 -1.10 1.61 1.01 -0.70 -4.91 120.40 116.32 1a9x s VAL 4659Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1a9x s VAL 4659Cb 0.00 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.45 1a9x s VAL 4659CO 0.00 0.00 1.48 -2.16 0.00 0.00 0.00 175.10 174.42 1a9x s PRO 4660N 0.23 3.75 -0.00 2.72 0.04 -1.26 -4.38 135.00 136.10 1a9x s PRO 4660Ca 0.69 -1.61 -0.30 0.00 0.04 0.00 0.00 61.00 59.82 1a9x s PRO 4660Cb -0.49 -5.31 -0.04 0.00 0.04 0.00 0.00 34.50 28.70 1a9x s PRO 4660CO 0.41 -2.11 1.11 0.08 0.04 0.00 0.00 177.00 176.53 1a9x s VAL 4661N 4.08 4.42 0.36 -0.36 1.01 -1.26 -1.11 120.40 127.54 1a9x s VAL 4661Ca 0.46 1.73 0.08 0.00 0.00 0.00 0.00 61.98 64.25 1a9x s VAL 4661Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1a9x s VAL 4661CO -0.04 0.09 0.28 0.27 0.00 0.00 0.00 175.10 175.70 1a9x s ILE 4662N 1.41 3.15 0.00 2.22 -4.36 -0.52 -4.84 121.20 118.26 1a9x s ILE 4662Ca 0.55 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1a9x s ILE 4662Cb -0.25 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.38 1a9x s ILE 4662CO 0.26 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.92 1a9x n GLY 4663N -1.36 -1.83 3.66 6.27 0.00 -1.26 -4.69 105.19 105.98 1a9x n GLY 4663Ca -0.01 -1.57 -0.53 0.00 0.00 0.00 0.00 46.02 43.91 1a9x n GLY 4663CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a9x n THR 4664N 0.00 0.21 -1.60 2.61 -1.04 -0.78 -4.80 114.28 108.88 1a9x n THR 4664Ca 0.00 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.62 1a9x n THR 4664Cb 0.00 -1.23 0.08 0.00 -1.82 0.00 0.00 70.33 67.35 1a9x n THR 4664CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 4665N 2.29 4.43 0.55 8.00 1.04 -1.26 -4.80 113.70 123.95 1a9x s SER 4665Ca 0.90 2.46 0.25 0.00 0.48 0.00 0.00 55.95 60.04 1a9x s SER 4665Cb -0.92 -2.60 1.47 0.00 0.10 0.00 0.00 66.02 64.07 1a9x s SER 4665CO 0.54 -2.11 2.07 -0.65 0.98 0.00 0.00 173.24 174.07 1a9x h PRO 4666N 0.13 0.00 -0.11 4.02 0.11 -1.91 -0.48 132.00 133.75 1a9x h PRO 4666Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1a9x h PRO 4666Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1a9x h PRO 4666CO 0.51 0.00 -0.00 0.22 -0.21 0.00 0.00 178.00 178.52 1a9x h ASP 4667N 0.00 0.19 -0.90 -2.05 3.58 -1.99 -0.23 116.42 115.02 1a9x h ASP 4667Ca 0.13 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1a9x h ASP 4667Cb 0.58 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 1a9x h ASP 4667CO -0.00 0.47 0.56 0.00 -2.88 0.00 0.00 179.24 177.38 1a9x h ALA 4668N 0.73 1.29 -0.49 -0.78 0.00 -1.44 -0.29 119.26 118.28 1a9x h ALA 4668Ca 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1a9x h ALA 4668Cb 0.37 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a9x h ALA 4668CO 0.01 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.69 1a9x h ILE 4669N 1.24 1.26 -0.11 0.00 2.04 -1.00 -2.14 117.51 118.80 1a9x h ILE 4669Ca 0.33 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1a9x h ILE 4669Cb -0.08 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1a9x h ILE 4669CO -0.06 0.38 -0.40 -0.78 0.00 0.00 0.00 178.15 177.28 1a9x h ASP 4670N 0.73 0.25 -0.54 1.72 3.58 -0.31 -1.51 116.42 120.34 1a9x h ASP 4670Ca 0.14 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1a9x h ASP 4670Cb 0.53 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1a9x h ASP 4670CO 0.03 0.64 0.34 0.03 -2.88 0.00 0.00 179.24 177.39 1a9x h ARG 4671N 0.21 0.65 -0.37 0.28 3.08 -0.69 0.79 114.38 118.34 1a9x h ARG 4671Ca 0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1a9x h ARG 4671Cb 0.81 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1a9x h ARG 4671CO 0.06 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1a9x h ALA 4672N 1.23 0.50 0.00 0.04 0.00 -1.00 -2.65 119.26 117.38 1a9x h ALA 4672Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 4672Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1a9x h ALA 4672CO -0.08 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.83 1a9x n GLU 4673N -4.48 0.18 -3.16 0.00 1.02 -0.60 -4.51 120.64 109.09 1a9x n GLU 4673Ca -0.01 0.27 -0.45 0.00 -0.02 0.00 0.00 57.16 56.95 1a9x n GLU 4673Cb 0.28 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 1a9x n GLU 4673CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1a9x s ASP 4674N -4.09 6.32 0.12 1.62 -1.08 0.27 -4.90 116.67 114.93 1a9x s ASP 4674Ca 0.08 -1.76 -0.01 0.00 -0.52 0.00 0.00 52.55 50.34 1a9x s ASP 4674Cb 0.12 -2.28 0.25 0.00 -1.46 0.00 0.00 42.92 39.54 1a9x s ASP 4674CO 0.48 -0.98 0.61 0.54 0.52 0.00 0.00 175.17 176.34 1a9x n ARG 4675N 5.80 -0.03 0.09 4.34 3.00 -1.26 0.21 116.66 128.81 1a9x n ARG 4675Ca -0.03 0.60 -0.22 0.00 -0.01 0.00 0.00 57.85 58.19 1a9x n ARG 4675Cb 0.43 -0.93 -0.15 0.00 0.00 0.00 0.00 32.46 31.82 1a9x n ARG 4675CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1a9x h GLU 4676N 0.00 0.41 -0.12 5.56 4.81 -1.92 -3.11 114.58 120.22 1a9x h GLU 4676Ca 0.22 -0.71 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1a9x h GLU 4676Cb 0.40 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1a9x h GLU 4676CO -0.39 1.34 0.06 0.00 -0.73 0.00 0.00 179.01 179.30 1a9x h ARG 4677N -0.11 0.17 -0.26 1.92 3.08 0.21 -3.11 114.38 116.27 1a9x h ARG 4677Ca -0.21 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.88 1a9x h ARG 4677Cb 1.91 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.87 1a9x h ARG 4677CO 0.21 0.20 -0.11 0.35 -1.07 0.00 0.00 179.97 179.55 1a9x h PHE 4678N 0.09 -0.25 -0.74 3.04 3.57 0.10 -2.40 116.94 120.36 1a9x h PHE 4678Ca 0.04 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.76 1a9x h PHE 4678Cb 0.08 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1a9x h PHE 4678CO -0.04 -0.17 0.51 0.37 -2.23 0.00 0.00 178.31 176.75 1a9x h GLN 4679N -0.07 0.16 -0.18 1.11 4.15 -1.48 0.66 115.11 119.47 1a9x h GLN 4679Ca 0.13 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1a9x h GLN 4679Cb 0.27 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1a9x h GLN 4679CO -0.30 0.11 -0.31 0.45 -1.93 0.00 0.00 178.83 176.85 1a9x h HIS 4680N 0.17 0.65 -0.32 3.99 3.86 -1.39 0.44 115.15 122.56 1a9x h HIS 4680Ca 0.36 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1a9x h HIS 4680Cb 1.18 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 1a9x h HIS 4680CO -0.00 0.95 0.20 0.00 0.86 0.00 0.00 177.93 179.93 1a9x h ALA 4681N 0.59 0.41 -0.91 2.45 0.00 0.15 1.39 119.26 123.33 1a9x h ALA 4681Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 4681Cb 0.90 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1a9x h ALA 4681CO 0.07 -0.10 0.57 0.28 0.00 0.00 0.00 179.25 180.07 1a9x h VAL 4682N 0.42 1.24 0.22 0.00 2.07 0.28 0.42 116.25 120.90 1a9x h VAL 4682Ca 0.11 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1a9x h VAL 4682Cb -0.00 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.66 1a9x h VAL 4682CO -0.02 0.25 -0.44 -0.33 0.02 0.00 0.00 177.57 177.04 1a9x h GLU 4683N 1.25 -0.72 -0.53 1.57 5.08 0.90 0.17 114.58 122.30 1a9x h GLU 4683Ca 0.33 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1a9x h GLU 4683Cb -0.09 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 1a9x h GLU 4683CO -0.07 -0.48 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.27 1a9x h ARG 4684N -0.75 0.02 0.00 2.33 2.43 0.27 -0.37 114.38 118.31 1a9x h ARG 4684Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1a9x h ARG 4684Cb 0.73 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1a9x h ARG 4684CO -0.19 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.56 1a9x n LEU 4685N -5.35 0.00 -3.67 3.80 4.77 0.14 -4.92 117.00 111.78 1a9x n LEU 4685Ca 0.05 0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.96 1a9x n LEU 4685Cb 0.28 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1a9x n LEU 4685CO 0.10 -0.01 -0.08 0.29 -1.33 0.00 0.00 177.39 176.37 1a9x n LYS 4686N -1.17 -3.28 -4.03 3.23 5.02 0.55 -5.01 118.16 113.47 1a9x n LYS 4686Ca 0.17 0.58 -0.23 0.00 -2.02 0.00 0.00 58.31 56.80 1a9x n LYS 4686Cb 0.18 -4.86 -0.06 0.00 -0.02 0.00 0.00 35.03 30.26 1a9x n LYS 4686CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a9x s LEU 4687N -6.49 3.22 -0.13 -0.35 1.43 -0.81 -5.06 118.68 110.49 1a9x s LEU 4687Ca 0.20 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 1a9x s LEU 4687Cb -0.06 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1a9x s LEU 4687CO 0.83 -0.45 0.23 -0.75 0.23 0.00 0.00 176.35 176.44 1a9x s LYS 4688N -3.91 3.93 0.10 1.70 2.20 -1.26 -4.75 119.74 117.75 1a9x s LYS 4688Ca 0.41 0.00 0.04 0.00 -0.36 0.00 0.00 55.97 56.05 1a9x s LYS 4688Cb -0.00 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1a9x s LYS 4688CO 0.23 0.50 -0.10 -1.14 -0.36 0.00 0.00 175.35 174.48 1a9x s GLN 4689N -0.28 0.87 0.52 4.03 0.74 -1.26 0.83 119.66 125.11 1a9x s GLN 4689Ca 0.15 -1.21 -0.15 0.00 0.05 0.00 0.00 55.36 54.20 1a9x s GLN 4689Cb -0.13 -0.50 -0.07 0.00 1.10 0.00 0.00 33.01 33.41 1a9x s GLN 4689CO 0.04 0.07 0.98 -1.25 -0.55 0.00 0.00 175.29 174.57 1a9x s PRO 4690N -3.03 3.88 0.23 1.67 0.04 -1.26 -4.91 135.00 131.63 1a9x s PRO 4690Ca 0.07 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1a9x s PRO 4690Cb -0.01 -2.15 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 1a9x s PRO 4690CO -0.01 -0.30 1.12 0.00 0.04 0.00 0.00 177.00 177.86 1a9x n ALA 4691N -1.74 -0.30 -3.52 8.56 0.00 -1.26 -4.66 120.51 117.58 1a9x n ALA 4691Ca 0.06 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1a9x n ALA 4691Cb 0.54 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1a9x n ALA 4691CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9x s ASN 4692N -0.22 -0.56 0.11 0.00 2.20 -1.26 0.67 114.94 115.88 1a9x s ASN 4692Ca 0.66 0.51 -0.19 0.00 -0.94 0.00 0.00 52.86 52.90 1a9x s ASN 4692Cb -0.76 0.48 0.05 0.00 -2.00 0.00 0.00 41.25 39.02 1a9x s ASN 4692CO 0.55 -0.59 0.48 0.00 -2.94 0.00 0.00 177.10 174.60 1a9x s ALA 4693N -1.59 -1.18 -0.00 3.54 0.00 -0.16 -5.00 121.76 117.36 1a9x s ALA 4693Ca -0.06 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 1a9x s ALA 4693Cb -0.00 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1a9x s ALA 4693CO 0.04 -0.62 0.37 0.99 0.00 0.00 0.00 175.76 176.54 1a9x s THR 4694N -3.35 5.10 0.28 0.00 2.01 -1.26 -0.79 115.64 117.63 1a9x s THR 4694Ca -0.00 0.71 0.04 0.00 0.31 0.00 0.00 61.69 62.74 1a9x s THR 4694Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1a9x s THR 4694CO -0.09 0.54 0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 1a9x s VAL 4695N -1.12 1.14 0.17 3.82 1.01 -0.98 -4.98 120.40 119.46 1a9x s VAL 4695Ca 0.24 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1a9x s VAL 4695Cb -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1a9x s VAL 4695CO 0.13 -0.14 0.00 0.41 0.00 0.00 0.00 175.10 175.50 1a9x n THR 4696N -0.57 0.30 -3.62 3.92 -1.04 -1.26 -2.54 114.28 109.47 1a9x n THR 4696Ca -0.03 0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 1a9x n THR 4696Cb 0.65 -0.85 -0.01 0.00 -1.82 0.00 0.00 70.33 68.30 1a9x n THR 4696CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9x s ALA 4697N -2.00 3.91 0.00 2.41 0.00 -1.26 -4.83 121.76 119.99 1a9x s ALA 4697Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 1a9x s ALA 4697Cb 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 23.12 21.15 1a9x s ALA 4697CO 0.00 0.06 0.92 0.82 0.00 0.00 0.00 175.76 177.56 1a9x h ILE 4698N 0.93 0.00 0.00 0.00 5.03 -1.99 0.84 117.51 122.32 1a9x h ILE 4698Ca -0.50 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 1a9x h ILE 4698Cb 1.23 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1a9x h ILE 4698CO 0.59 0.00 0.44 -0.33 -0.68 0.00 0.00 178.15 178.17 1a9x h GLU 4699N -0.99 0.00 0.22 2.37 4.39 -2.00 0.86 114.58 119.43 1a9x h GLU 4699Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1a9x h GLU 4699Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1a9x h GLU 4699CO 0.12 0.00 -0.10 1.98 -1.16 0.00 0.00 179.01 179.84 1a9x h MET 4700N 0.00 -0.28 -0.37 2.33 1.85 -1.91 -3.21 114.93 113.34 1a9x h MET 4700Ca 0.00 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 1a9x h MET 4700Cb 0.88 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 32.90 1a9x h MET 4700CO 0.00 0.01 -0.50 0.00 -0.40 0.00 0.00 176.91 176.02 1a9x h ALA 4701N -0.71 -0.73 -0.94 0.39 0.00 0.32 0.45 119.26 118.04 1a9x h ALA 4701Ca -0.03 -0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.14 1a9x h ALA 4701Cb 0.42 1.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 1a9x h ALA 4701CO 0.05 -0.97 0.41 0.28 0.00 0.00 0.00 179.25 179.01 1a9x h VAL 4702N -0.35 0.35 -0.01 0.00 2.07 -1.01 0.48 116.25 117.77 1a9x h VAL 4702Ca 0.06 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1a9x h VAL 4702Cb 0.53 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1a9x h VAL 4702CO -0.54 0.06 -0.01 -0.08 0.02 0.00 0.00 177.57 177.02 1a9x h GLU 4703N 0.31 0.02 0.30 1.57 4.57 -1.18 -2.41 114.58 117.76 1a9x h GLU 4703Ca 0.63 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.78 1a9x h GLU 4703Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1a9x h GLU 4703CO -0.60 0.54 -0.19 0.87 -1.18 0.00 0.00 179.01 178.45 1a9x h LYS 4704N -0.49 -0.45 -0.94 1.92 6.56 0.18 -2.07 116.57 121.28 1a9x h LYS 4704Ca 0.00 0.03 0.28 0.00 -1.06 0.00 0.00 60.65 59.90 1a9x h LYS 4704Cb 0.54 0.10 -0.16 0.00 -0.57 0.00 0.00 32.23 32.14 1a9x h LYS 4704CO 0.00 -0.30 0.29 0.00 -2.06 0.00 0.00 179.45 177.38 1a9x h ALA 4705N 0.21 1.49 -0.76 3.86 0.00 -0.21 2.53 119.26 126.38 1a9x h ALA 4705Ca -0.03 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1a9x h ALA 4705Cb 0.39 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1a9x h ALA 4705CO 0.03 -0.57 0.38 0.87 0.00 0.00 0.00 179.25 179.95 1a9x h LYS 4706N 0.16 0.60 0.50 0.00 1.57 -0.86 1.06 116.57 119.60 1a9x h LYS 4706Ca 0.63 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 1a9x h LYS 4706Cb 1.39 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1a9x h LYS 4706CO -0.72 0.40 -0.24 1.49 -0.57 0.00 0.00 179.45 179.81 1a9x h GLU 4707N 0.62 -0.65 -0.20 3.15 4.81 0.48 -3.35 114.58 119.43 1a9x h GLU 4707Ca 0.38 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.71 1a9x h GLU 4707Cb 0.44 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 1a9x h GLU 4707CO -0.29 -0.43 -0.18 0.82 -0.73 0.00 0.00 179.01 178.19 1a9x h ILE 4708N -0.93 0.51 0.00 2.32 2.04 -0.85 -3.49 117.51 117.10 1a9x h ILE 4708Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1a9x h ILE 4708Cb 0.52 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1a9x h ILE 4708CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1a9x n GLY 4709N -1.33 2.51 3.73 5.37 0.00 0.36 -4.83 105.19 111.00 1a9x n GLY 4709Ca -0.01 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 1a9x n GLY 4709CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 4710N -2.69 2.89 0.97 1.61 1.51 -1.26 -4.48 117.35 115.90 1a9x s TYR 4710Ca 0.00 -0.17 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 1a9x s TYR 4710Cb 0.00 -1.29 0.17 0.00 -0.11 0.00 0.00 41.96 40.74 1a9x s TYR 4710CO 0.00 0.58 1.10 -1.25 -1.11 0.00 0.00 175.55 174.87 1a9x s PRO 4711N -3.75 0.63 0.09 -1.71 0.05 -1.26 -4.93 135.00 124.13 1a9x s PRO 4711Ca 0.32 0.47 0.07 0.00 0.05 0.00 0.00 61.00 61.91 1a9x s PRO 4711Cb -0.07 -1.76 -0.03 0.00 0.05 0.00 0.00 34.50 32.68 1a9x s PRO 4711CO 0.22 -2.58 -0.19 -1.17 0.05 0.00 0.00 177.00 173.33 1a9x s LEU 4712N -6.35 2.29 -0.40 -3.56 2.96 0.66 -1.12 118.68 113.15 1a9x s LEU 4712Ca 0.65 -0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 1a9x s LEU 4712Cb -0.18 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1a9x s LEU 4712CO 0.56 0.02 0.39 -0.69 -1.32 0.00 0.00 176.35 175.32 1a9x s VAL 4713N -1.18 5.14 -0.58 1.68 1.01 0.71 -1.24 120.40 125.93 1a9x s VAL 4713Ca 0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1a9x s VAL 4713Cb -0.10 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.46 1a9x s VAL 4713CO 0.03 -0.33 0.51 -0.69 0.00 0.00 0.00 175.10 174.62 1a9x s VAL 4714N 2.02 4.93 -0.38 2.92 1.01 0.43 -0.82 120.40 130.51 1a9x s VAL 4714Ca 0.11 -1.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.08 1a9x s VAL 4714Cb -0.17 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1a9x s VAL 4714CO 0.13 -0.88 0.33 -0.13 0.00 0.00 0.00 175.10 174.55 1a9x s ARG 4715N 1.15 3.25 0.00 2.72 0.52 -0.96 -2.87 118.95 122.77 1a9x s ARG 4715Ca 0.08 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1a9x s ARG 4715Cb -0.24 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1a9x s ARG 4715CO -0.01 -0.65 0.35 0.00 0.02 0.00 0.00 175.30 175.00 1a9x n ALA 4716N 5.30 -0.16 -0.63 2.13 0.00 -1.26 -1.71 120.51 124.18 1a9x n ALA 4716Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1a9x n ALA 4716Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1a9x n ALA 4716CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 4724N -1.81 -1.00 -2.59 0.00 0.00 -1.26 -4.56 120.51 109.30 1a9x n ALA 4724Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1a9x n ALA 4724Cb 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 1a9x n ALA 4724CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a9x s MET 4725N -1.00 1.93 0.03 0.00 1.00 -1.26 -4.99 119.30 115.00 1a9x s MET 4725Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 55.69 54.91 1a9x s MET 4725Cb 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 34.83 33.04 1a9x s MET 4725CO 0.00 0.40 -0.01 -2.00 0.00 0.00 0.00 175.02 173.41 1a9x s GLU 4726N -0.31 0.42 -0.43 2.03 2.12 -1.14 -4.79 118.70 116.60 1a9x s GLU 4726Ca 0.03 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 1a9x s GLU 4726Cb -0.10 0.15 0.11 0.00 0.26 0.00 0.00 34.13 34.55 1a9x s GLU 4726CO 0.01 -0.08 0.26 0.42 -0.54 0.00 0.00 175.26 175.33 1a9x s ILE 4727N -2.17 3.68 0.03 -3.70 1.01 -1.25 -0.43 121.20 118.37 1a9x s ILE 4727Ca -0.09 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.32 1a9x s ILE 4727Cb -0.05 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1a9x s ILE 4727CO -0.03 -0.72 0.97 -0.69 0.00 0.00 0.00 174.94 174.46 1a9x s VAL 4728N 1.24 4.76 -0.09 2.92 1.01 -0.38 -4.78 120.40 125.07 1a9x s VAL 4728Ca 0.07 2.05 0.14 0.00 0.00 0.00 0.00 61.98 64.24 1a9x s VAL 4728Cb -0.24 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 1a9x s VAL 4728CO -0.03 0.21 0.47 -1.22 0.00 0.00 0.00 175.10 174.53 1a9x n TYR 4729N 3.54 0.69 -4.02 5.22 4.02 -1.26 0.24 117.16 125.59 1a9x n TYR 4729Ca 0.05 0.25 -0.10 0.00 -0.01 0.00 0.00 57.90 58.08 1a9x n TYR 4729Cb 0.50 -1.13 -0.05 0.00 -0.02 0.00 0.00 39.34 38.65 1a9x n TYR 4729CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1a9x s ASP 4730N -5.93 0.14 0.14 7.72 1.47 -1.26 -4.49 116.67 114.47 1a9x s ASP 4730Ca -0.07 -1.09 -0.30 0.00 1.18 0.00 0.00 52.55 52.28 1a9x s ASP 4730Cb 0.07 0.61 -0.05 0.00 -0.34 0.00 0.00 42.92 43.21 1a9x s ASP 4730CO 0.82 -1.19 1.56 -0.08 0.68 0.00 0.00 175.17 176.97 1a9x h GLU 4731N 2.23 -0.33 -0.25 2.11 4.81 -1.96 2.79 114.58 123.98 1a9x h GLU 4731Ca -0.27 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1a9x h GLU 4731Cb 1.25 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 1a9x h GLU 4731CO 0.37 -0.22 -0.41 0.00 -0.73 0.00 0.00 179.01 178.02 1a9x h ALA 4732N 0.22 -0.69 -0.56 2.92 0.00 -2.00 -0.10 119.26 119.05 1a9x h ALA 4732Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1a9x h ALA 4732Cb 0.59 0.99 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 1a9x h ALA 4732CO -0.61 -0.87 -0.40 0.22 0.00 0.00 0.00 179.25 177.59 1a9x h ASP 4733N -0.33 -1.39 -0.49 0.00 3.58 -1.44 -1.68 116.42 114.68 1a9x h ASP 4733Ca 0.05 0.24 0.10 0.00 0.42 0.00 0.00 57.03 57.83 1a9x h ASP 4733Cb 0.45 0.64 -0.09 0.00 1.72 0.00 0.00 39.33 42.06 1a9x h ASP 4733CO -0.41 -0.33 -0.07 0.25 -2.88 0.00 0.00 179.24 175.80 1a9x h LEU 4734N -0.22 -0.35 0.38 2.28 5.85 0.62 -1.68 115.31 122.18 1a9x h LEU 4734Ca 0.19 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1a9x h LEU 4734Cb 0.56 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1a9x h LEU 4734CO -0.67 -0.13 -0.48 0.03 -0.34 0.00 0.00 178.44 176.86 1a9x h ARG 4735N 0.04 -0.86 -0.64 1.25 3.08 -0.23 -1.58 114.38 115.44 1a9x h ARG 4735Ca 0.24 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.55 1a9x h ARG 4735Cb 0.37 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 1a9x h ARG 4735CO -0.46 -0.57 0.10 -2.13 -1.07 0.00 0.00 179.97 175.83 1a9x n ARG 4736N -5.53 -0.05 0.00 0.04 0.63 -0.71 0.28 116.66 111.32 1a9x n ARG 4736Ca -0.11 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 1a9x n ARG 4736Cb 0.43 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1a9x n ARG 4736CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1a9x n TYR 4737N -4.73 0.00 -0.33 -0.14 9.36 -0.65 -2.47 117.16 118.20 1a9x n TYR 4737Ca 0.17 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.68 1a9x n TYR 4737Cb 0.58 -0.20 0.50 0.00 -0.63 0.00 0.00 39.34 39.58 1a9x n TYR 4737CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1a9x n PHE 4738N -1.10 0.62 0.00 2.98 3.72 0.88 0.23 117.46 124.80 1a9x n PHE 4738Ca 0.00 0.63 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 1a9x n PHE 4738Cb 0.00 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 1a9x n PHE 4738CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1a9x n GLN 4739N -4.34 0.00 0.10 -1.08 7.27 0.14 -3.23 117.38 116.25 1a9x n GLN 4739Ca 0.30 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.56 1a9x n GLN 4739Cb 1.13 -0.90 0.62 0.00 2.41 0.00 0.00 30.24 33.51 1a9x n GLN 4739CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1a9x h THR 4740N 0.00 0.17 0.00 1.69 1.35 -0.57 -3.51 112.91 112.03 1a9x h THR 4740Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a9x h THR 4740Cb 0.00 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1a9x h THR 4740CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1a9x n ALA 4741N -2.14 0.00 0.00 6.62 0.00 0.64 -5.08 120.51 120.55 1a9x n ALA 4741Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1a9x n ALA 4741Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1a9x n ALA 4741CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a9x n VAL 4750N 0.00 0.00 -1.83 0.00 0.31 -1.05 -5.01 118.33 110.75 1a9x n VAL 4750Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1a9x n VAL 4750Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1a9x n VAL 4750CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a9x s LEU 4751N 0.00 4.34 -0.07 7.52 1.43 -0.69 -2.32 118.68 128.89 1a9x s LEU 4751Ca 0.00 2.96 -0.01 0.00 -1.03 0.00 0.00 54.13 56.05 1a9x s LEU 4751Cb 0.00 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1a9x s LEU 4751CO 0.00 -0.86 -0.02 -0.76 0.23 0.00 0.00 176.35 174.94 1a9x s LEU 4752N -1.23 0.82 -0.03 1.79 1.02 0.03 -2.26 118.68 118.82 1a9x s LEU 4752Ca 0.58 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.65 1a9x s LEU 4752Cb -0.46 -0.50 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 1a9x s LEU 4752CO 0.54 -0.16 -0.19 -1.81 0.02 0.00 0.00 176.35 174.76 1a9x s ASP 4753N 1.73 2.27 -0.00 2.29 1.11 -0.00 -0.98 116.67 123.07 1a9x s ASP 4753Ca 0.02 -0.36 -0.30 0.00 0.18 0.00 0.00 52.55 52.09 1a9x s ASP 4753Cb -0.13 -0.45 -0.07 0.00 1.07 0.00 0.00 42.92 43.35 1a9x s ASP 4753CO -0.05 0.20 1.72 -2.28 1.18 0.00 0.00 175.17 175.95 1a9x s HIS 4754N -0.21 1.93 -0.39 4.23 5.65 0.21 0.25 115.29 126.97 1a9x s HIS 4754Ca 0.02 0.08 -0.29 0.00 0.25 0.00 0.00 55.06 55.12 1a9x s HIS 4754Cb -0.10 -4.00 0.02 0.00 -1.18 0.00 0.00 32.58 27.32 1a9x s HIS 4754CO 0.01 -4.23 1.15 0.12 -0.65 0.00 0.00 174.74 171.14 1a9x s PHE 4755N 3.80 2.90 -0.90 3.88 5.36 -0.28 -4.64 117.98 128.09 1a9x s PHE 4755Ca 0.77 0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 57.42 1a9x s PHE 4755Cb -0.37 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.27 1a9x s PHE 4755CO 0.33 -1.18 1.54 -0.51 -1.46 0.00 0.00 175.22 173.93 1a9x s LEU 4756N 4.20 3.35 0.66 6.12 1.43 -1.26 -4.52 118.68 128.65 1a9x s LEU 4756Ca 0.49 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1a9x s LEU 4756Cb -0.11 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.55 1a9x s LEU 4756CO 0.24 -1.88 1.09 -0.62 0.23 0.00 0.00 176.35 175.42 1a9x s ASP 4757N 5.51 5.24 -1.38 2.29 2.15 -1.26 -3.74 116.67 125.47 1a9x s ASP 4757Ca 0.50 1.91 -0.08 0.00 0.43 0.00 0.00 52.55 55.31 1a9x s ASP 4757Cb -0.04 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1a9x s ASP 4757CO -0.00 -1.54 0.55 -0.67 -0.17 0.00 0.00 175.17 173.33 1a9x n ASP 4758N -2.48 -4.61 -4.68 -0.34 2.03 -1.26 -4.97 116.55 100.24 1a9x n ASP 4758Ca 0.10 -0.36 -0.31 0.00 0.52 0.00 0.00 54.79 54.74 1a9x n ASP 4758Cb 0.52 -3.77 -0.08 0.00 -0.72 0.00 0.00 41.12 37.07 1a9x n ASP 4758CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a9x s ALA 4759N -3.03 3.28 -0.19 -1.67 0.00 -1.25 -4.80 121.76 114.10 1a9x s ALA 4759Ca 0.37 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1a9x s ALA 4759Cb -0.19 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1a9x s ALA 4759CO 0.46 0.68 0.56 0.08 0.00 0.00 0.00 175.76 177.54 1a9x s VAL 4760N -1.24 5.08 0.23 0.00 1.01 -0.65 -1.34 120.40 123.49 1a9x s VAL 4760Ca 0.24 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 1a9x s VAL 4760Cb -0.12 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1a9x s VAL 4760CO 0.16 0.17 0.59 -0.70 0.00 0.00 0.00 175.10 175.32 1a9x s GLU 4761N 1.60 3.89 -0.01 2.72 2.12 -1.26 -1.47 118.70 126.28 1a9x s GLU 4761Ca 0.26 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 1a9x s GLU 4761Cb -0.16 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.58 1a9x s GLU 4761CO 0.10 0.32 0.03 0.08 -0.54 0.00 0.00 175.26 175.25 1a9x s VAL 4762N -1.78 -0.01 -0.08 3.70 1.01 -0.27 -1.59 120.40 121.38 1a9x s VAL 4762Ca 0.47 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1a9x s VAL 4762Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1a9x s VAL 4762CO 0.20 0.01 -0.12 -1.81 0.00 0.00 0.00 175.10 173.38 1a9x s ASP 4763N 0.12 4.19 -0.07 3.32 1.01 -0.89 -0.21 116.67 124.15 1a9x s ASP 4763Ca -0.01 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.08 1a9x s ASP 4763Cb -0.01 -1.20 0.01 0.00 1.01 0.00 0.00 42.92 42.73 1a9x s ASP 4763CO -0.00 0.28 -0.15 -0.69 0.21 0.00 0.00 175.17 174.82 1a9x s VAL 4764N -0.35 1.35 -0.11 -1.27 1.01 0.75 -1.58 120.40 120.21 1a9x s VAL 4764Ca 0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1a9x s VAL 4764Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1a9x s VAL 4764CO 0.02 0.40 0.01 -1.81 0.00 0.00 0.00 175.10 173.72 1a9x s ASP 4765N 0.53 5.25 0.22 3.32 1.01 -0.24 -1.14 116.67 125.62 1a9x s ASP 4765Ca -0.14 0.11 -0.10 0.00 0.71 0.00 0.00 52.55 53.12 1a9x s ASP 4765Cb -0.16 -1.58 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 1a9x s ASP 4765CO 0.05 0.33 0.38 0.00 0.21 0.00 0.00 175.17 176.14 1a9x s ALA 4766N -0.60 0.01 -0.04 5.23 0.00 -0.68 0.11 121.76 125.78 1a9x s ALA 4766Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1a9x s ALA 4766Cb -0.12 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1a9x s ALA 4766CO 0.02 -0.77 -0.10 0.42 0.00 0.00 0.00 175.76 175.34 1a9x s ILE 4767N -4.02 0.90 -0.02 0.00 1.01 0.25 -1.24 121.20 118.07 1a9x s ILE 4767Ca 0.23 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1a9x s ILE 4767Cb 0.01 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1a9x s ILE 4767CO 0.07 0.29 -0.18 0.00 0.00 0.00 0.00 174.94 175.12 1a9x n ASP 4769N 2.79 2.04 0.00 0.00 5.68 -0.66 -0.95 116.55 125.45 1a9x n ASP 4769Ca -0.16 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1a9x n ASP 4769Cb 0.53 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1a9x n ASP 4769CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 4770N -0.45 2.70 0.05 6.12 0.00 -1.26 -4.68 105.19 107.67 1a9x n GLY 4770Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1a9x n GLY 4770CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9x n GLU 4771N -2.00 0.81 -4.03 1.61 1.02 -1.26 -5.06 120.64 111.73 1a9x n GLU 4771Ca 0.00 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 1a9x n GLU 4771Cb 0.00 -1.20 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 1a9x n GLU 4771CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x s MET 4772N -2.20 1.26 -0.16 3.49 0.23 -1.26 -5.14 119.30 115.52 1a9x s MET 4772Ca -0.11 -1.30 0.01 0.00 -1.03 0.00 0.00 55.69 53.26 1a9x s MET 4772Cb 0.03 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.72 1a9x s MET 4772CO 0.25 -0.47 -0.19 0.08 -2.03 0.00 0.00 175.02 172.67 1a9x s VAL 4773N -4.02 2.27 -0.31 5.16 1.01 -1.26 -1.65 120.40 121.59 1a9x s VAL 4773Ca 0.23 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1a9x s VAL 4773Cb 0.03 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1a9x s VAL 4773CO 0.05 0.53 0.31 -0.22 0.00 0.00 0.00 175.10 175.77 1a9x s LEU 4774N 1.05 4.26 -0.34 3.92 2.96 0.54 -4.91 118.68 126.16 1a9x s LEU 4774Ca -0.01 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 1a9x s LEU 4774Cb -0.14 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1a9x s LEU 4774CO -0.06 -0.22 1.18 -0.63 -1.32 0.00 0.00 176.35 175.29 1a9x s ILE 4775N 1.93 4.31 0.02 6.68 -1.09 -1.26 0.87 121.20 132.66 1a9x s ILE 4775Ca 0.11 1.47 -0.06 0.00 -2.23 0.00 0.00 60.65 59.93 1a9x s ILE 4775Cb -0.16 -4.35 -0.29 0.00 -1.58 0.00 0.00 42.46 36.07 1a9x s ILE 4775CO 0.11 -0.57 0.94 1.23 -1.23 0.00 0.00 174.94 175.42 1a9x h GLY 4776N 10.62 0.36 -5.44 6.18 0.00 0.42 -3.41 103.07 111.80 1a9x h GLY 4776Ca -0.23 -0.93 0.19 0.00 0.00 0.00 0.00 47.33 46.36 1a9x h GLY 4776CO 1.05 0.81 0.84 -0.32 0.00 0.00 0.00 176.54 178.93 1a9x s GLY 4777N -4.83 0.18 -0.24 4.60 0.00 -0.82 -4.77 107.32 101.44 1a9x s GLY 4777Ca -0.08 3.12 -0.03 0.00 0.00 0.00 0.00 44.72 47.73 1a9x s GLY 4777CO 0.88 1.59 -0.05 -0.42 0.00 0.00 0.00 173.10 175.10 1a9x s ILE 4778N -0.39 3.08 -0.12 0.90 1.01 -1.26 -1.08 121.20 123.34 1a9x s ILE 4778Ca 0.07 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1a9x s ILE 4778Cb -0.03 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1a9x s ILE 4778CO -0.11 0.26 -0.18 -0.04 0.00 0.00 0.00 174.94 174.88 1a9x s MET 4779N 1.38 3.23 -0.26 2.79 -1.94 -0.61 -4.05 119.30 119.84 1a9x s MET 4779Ca 0.02 -0.77 -0.12 0.00 -1.71 0.00 0.00 55.69 53.11 1a9x s MET 4779Cb -0.16 -2.51 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 1a9x s MET 4779CO -0.04 0.16 0.25 -2.00 -0.01 0.00 0.00 175.02 173.38 1a9x s GLU 4780N 0.45 4.01 0.59 2.03 2.12 -0.50 -2.09 118.70 125.31 1a9x s GLU 4780Ca -0.13 -0.17 -0.17 0.00 0.36 0.00 0.00 54.97 54.86 1a9x s GLU 4780Cb -0.17 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1a9x s GLU 4780CO 0.06 -0.14 1.11 -1.01 -0.54 0.00 0.00 175.26 174.73 1a9x s HIS 4781N 1.65 2.70 -0.11 5.30 3.76 -0.62 -1.25 115.29 126.71 1a9x s HIS 4781Ca 0.10 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.52 1a9x s HIS 4781Cb -0.15 -3.20 -0.02 0.00 1.11 0.00 0.00 32.58 30.31 1a9x s HIS 4781CO 0.09 -1.54 0.00 0.82 -0.85 0.00 0.00 174.74 173.27 1a9x h ILE 4782N 0.68 0.10 -3.87 0.60 5.03 -0.74 -3.43 117.51 115.88 1a9x h ILE 4782Ca -0.48 -1.08 -0.53 0.00 -0.12 0.00 0.00 64.86 62.64 1a9x h ILE 4782Cb 1.25 0.20 0.08 0.00 -3.03 0.00 0.00 36.82 35.32 1a9x h ILE 4782CO 0.56 0.03 0.72 -1.61 -0.68 0.00 0.00 178.15 177.17 1a9x s GLU 4783N -1.74 4.23 1.08 2.37 8.01 -1.26 -4.60 118.70 126.79 1a9x s GLU 4783Ca -0.04 2.40 -0.12 0.00 0.01 0.00 0.00 54.97 57.21 1a9x s GLU 4783Cb 0.00 -3.02 0.24 0.00 -4.31 0.00 0.00 34.13 27.04 1a9x s GLU 4783CO 0.09 -0.38 1.06 1.14 0.01 0.00 0.00 175.26 177.18 1a9x s GLN 4784N -1.83 -0.24 0.34 1.61 0.00 -1.26 -4.34 119.66 113.94 1a9x s GLN 4784Ca 0.52 0.73 -0.29 0.00 -0.00 0.00 0.00 55.36 56.32 1a9x s GLN 4784Cb -0.43 -1.64 -0.12 0.00 0.00 0.00 0.00 33.01 30.82 1a9x s GLN 4784CO 0.57 -3.24 1.49 0.00 0.00 0.00 0.00 175.29 174.11 1a9x n ALA 4785N -4.56 2.20 0.00 2.60 0.00 -0.45 -2.24 120.51 118.05 1a9x n ALA 4785Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1a9x n ALA 4785Cb 0.55 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1a9x n ALA 4785CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4786N 1.08 0.76 3.45 0.00 0.00 -1.26 -4.81 105.19 104.42 1a9x n GLY 4786Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1a9x n GLY 4786CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4787N -1.20 4.82 0.10 1.61 1.01 -0.95 -0.76 120.40 125.03 1a9x s VAL 4787Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 61.98 61.20 1a9x s VAL 4787Cb 0.00 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1a9x s VAL 4787CO 0.00 -0.02 0.76 1.57 0.00 0.00 0.00 175.10 177.41 1a9x n HIS 4788N 5.03 0.04 -0.29 5.22 -0.00 0.50 -4.71 115.22 121.00 1a9x n HIS 4788Ca -0.13 0.99 0.09 0.00 0.46 0.00 0.00 57.72 59.13 1a9x n HIS 4788Cb 0.49 -1.98 0.32 0.00 -0.12 0.00 0.00 29.99 28.69 1a9x n HIS 4788CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1a9x h SER 4789N 1.91 0.77 0.28 0.26 4.64 -1.92 -0.41 113.55 119.08 1a9x h SER 4789Ca -0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1a9x h SER 4789Cb 1.41 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1a9x h SER 4789CO 0.60 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.59 1a9x n GLY 4790N -1.40 -0.81 0.21 -0.77 0.00 -1.26 -1.72 105.19 99.43 1a9x n GLY 4790Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1a9x n GLY 4790CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a9x n ASP 4791N -1.63 1.49 -4.87 1.61 8.00 -0.21 -4.63 116.55 116.31 1a9x n ASP 4791Ca 0.02 -1.27 -0.36 0.00 0.71 0.00 0.00 54.79 53.89 1a9x n ASP 4791Cb 0.10 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 1a9x n ASP 4791CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a9x s SER 4792N -0.46 6.61 0.43 -2.24 0.01 -0.70 -4.80 113.70 112.55 1a9x s SER 4792Ca 0.06 0.72 -0.22 0.00 1.31 0.00 0.00 55.95 57.82 1a9x s SER 4792Cb 0.04 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 1a9x s SER 4792CO 0.06 0.25 1.01 0.00 0.41 0.00 0.00 173.24 174.98 1a9x s ALA 4793N -1.27 3.01 0.22 1.44 0.00 -1.26 -4.73 121.76 119.16 1a9x s ALA 4793Ca 0.28 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 1a9x s ALA 4793Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1a9x s ALA 4793CO 0.15 -0.14 0.31 0.00 0.00 0.00 0.00 175.76 176.08 1a9x s SER 4795N -3.07 0.75 -0.15 0.00 0.15 -0.38 -0.55 113.70 110.45 1a9x s SER 4795Ca 0.29 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 1a9x s SER 4795Cb 0.03 0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1a9x s SER 4795CO 0.09 -0.11 0.02 -0.22 1.20 0.00 0.00 173.24 174.22 1a9x s LEU 4796N -1.05 0.95 0.96 3.45 0.20 -0.52 -1.41 118.68 121.26 1a9x s LEU 4796Ca -0.06 -0.55 -0.15 0.00 0.69 0.00 0.00 54.13 54.06 1a9x s LEU 4796Cb -0.07 -0.54 0.18 0.00 -0.43 0.00 0.00 46.19 45.33 1a9x s LEU 4796CO 0.00 -0.26 1.27 -2.16 -0.29 0.00 0.00 176.35 174.91 1a9x s PRO 4797N 1.90 0.70 0.42 0.98 0.04 -1.26 -1.63 135.00 136.14 1a9x s PRO 4797Ca 0.01 -0.25 -0.25 0.00 0.04 0.00 0.00 61.00 60.55 1a9x s PRO 4797Cb -0.15 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1a9x s PRO 4797CO -0.07 -2.40 1.23 0.00 0.04 0.00 0.00 177.00 175.80 1a9x n ALA 4798N -3.79 1.09 0.26 8.56 0.00 -1.25 -4.80 120.51 120.58 1a9x n ALA 4798Ca 0.13 0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.92 1a9x n ALA 4798Cb 0.60 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.69 1a9x n ALA 4798CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1a9x n TYR 4799N -0.23 0.00 0.00 0.00 4.11 -1.26 -4.62 117.16 115.16 1a9x n TYR 4799Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 1a9x n TYR 4799Cb 0.39 -0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.46 1a9x n TYR 4799CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1a9x n THR 4800N -1.89 0.00 -2.21 -3.48 -2.24 -1.26 -5.06 114.28 98.14 1a9x n THR 4800Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1a9x n THR 4800Cb 0.40 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1a9x n THR 4800CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 4801N -2.28 4.45 0.64 3.22 1.43 -1.26 -4.96 118.68 119.91 1a9x s LEU 4801Ca 0.00 2.54 -0.16 0.00 -1.03 0.00 0.00 54.13 55.48 1a9x s LEU 4801Cb 0.00 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1a9x s LEU 4801CO 0.00 -0.45 1.14 -0.94 0.23 0.00 0.00 176.35 176.33 1a9x s SER 4802N -0.41 5.12 0.20 2.29 1.04 -1.26 -4.91 113.70 115.76 1a9x s SER 4802Ca 0.49 2.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 1a9x s SER 4802Cb -0.37 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.31 1a9x s SER 4802CO 0.47 -1.63 1.84 -0.61 0.98 0.00 0.00 173.24 174.29 1a9x h GLN 4803N 0.34 0.96 -0.80 4.02 5.75 -1.99 -1.97 115.11 121.43 1a9x h GLN 4803Ca -0.48 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 57.91 1a9x h GLN 4803Cb 1.26 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.58 1a9x h GLN 4803CO 0.54 0.69 0.40 1.49 -2.65 0.00 0.00 178.83 179.30 1a9x h GLU 4804N 0.96 1.13 -0.49 1.69 4.81 -1.98 0.13 114.58 120.83 1a9x h GLU 4804Ca 0.25 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1a9x h GLU 4804Cb -0.02 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1a9x h GLU 4804CO -0.05 0.86 -0.01 0.82 -0.73 0.00 0.00 179.01 179.91 1a9x h ILE 4805N 1.12 1.26 -0.57 2.32 1.08 -1.88 -2.24 117.51 118.61 1a9x h ILE 4805Ca 0.28 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1a9x h ILE 4805Cb 0.08 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1a9x h ILE 4805CO -0.04 0.38 0.37 1.56 -0.69 0.00 0.00 178.15 179.73 1a9x h GLN 4806N 0.74 0.74 0.00 2.37 4.20 -0.84 -0.32 115.11 122.00 1a9x h GLN 4806Ca 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1a9x h GLN 4806Cb 0.52 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1a9x h GLN 4806CO 0.03 0.49 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.15 1a9x h ASP 4807N 0.76 0.00 -0.07 1.46 3.32 -0.56 0.61 116.42 121.94 1a9x h ASP 4807Ca 0.21 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1a9x h ASP 4807Cb -0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1a9x h ASP 4807CO -0.05 0.09 -0.10 0.58 -1.72 0.00 0.00 179.24 178.04 1a9x h VAL 4808N 0.00 1.39 -0.87 -1.35 2.07 -0.44 -1.36 116.25 115.69 1a9x h VAL 4808Ca -0.00 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.23 1a9x h VAL 4808Cb 0.27 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1a9x h VAL 4808CO 0.01 0.37 0.57 0.24 0.02 0.00 0.00 177.57 178.78 1a9x h MET 4809N -0.26 1.03 -0.37 1.57 2.86 -1.08 0.13 114.93 118.81 1a9x h MET 4809Ca 0.01 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1a9x h MET 4809Cb 0.64 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1a9x h MET 4809CO 0.02 0.68 0.23 0.00 1.06 0.00 0.00 176.91 178.90 1a9x h ARG 4810N 1.07 0.45 -0.37 1.72 3.08 -0.78 0.11 114.38 119.66 1a9x h ARG 4810Ca 0.35 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 1a9x h ARG 4810Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1a9x h ARG 4810CO -0.11 0.29 -0.06 1.96 -1.07 0.00 0.00 179.97 180.98 1a9x h GLN 4811N 0.46 0.61 -0.16 0.04 4.20 0.33 -2.62 115.11 117.97 1a9x h GLN 4811Ca 0.14 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 1a9x h GLN 4811Cb -0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1a9x h GLN 4811CO -0.06 0.68 -0.55 1.96 -0.67 0.00 0.00 178.83 180.19 1a9x h GLN 4812N 0.57 0.47 -0.55 1.46 4.20 -0.49 -2.54 115.11 118.23 1a9x h GLN 4812Ca 0.11 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 1a9x h GLN 4812Cb 0.46 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1a9x h GLN 4812CO 0.02 0.90 0.03 0.28 -0.67 0.00 0.00 178.83 179.39 1a9x h VAL 4813N 0.36 1.25 -0.09 -0.54 2.07 -0.56 -0.89 116.25 117.85 1a9x h VAL 4813Ca 0.01 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1a9x h VAL 4813Cb 1.08 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1a9x h VAL 4813CO 0.10 0.38 0.03 -0.61 0.02 0.00 0.00 177.57 177.48 1a9x h GLN 4814N 0.86 0.14 -0.35 1.57 4.15 -1.32 -1.33 115.11 118.83 1a9x h GLN 4814Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1a9x h GLN 4814Cb 0.47 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1a9x h GLN 4814CO 0.02 0.30 0.03 0.87 -1.93 0.00 0.00 178.83 178.13 1a9x h LYS 4815N -0.05 0.54 -0.03 1.69 1.57 -1.32 -2.67 116.57 116.29 1a9x h LYS 4815Ca 0.03 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1a9x h LYS 4815Cb 0.22 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1a9x h LYS 4815CO -0.00 0.54 0.01 -0.07 -0.57 0.00 0.00 179.45 179.36 1a9x h LEU 4816N 0.52 0.05 -0.18 2.94 3.38 -1.03 -1.12 115.31 119.88 1a9x h LEU 4816Ca 0.12 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1a9x h LEU 4816Cb 0.29 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1a9x h LEU 4816CO 0.01 0.28 -0.18 0.00 0.09 0.00 0.00 178.44 178.63 1a9x h ALA 4817N 0.78 -0.08 -0.45 1.53 0.00 -1.09 0.48 119.26 120.44 1a9x h ALA 4817Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 4817Cb 0.25 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1a9x h ALA 4817CO 0.00 -0.62 -0.08 0.74 0.00 0.00 0.00 179.25 179.29 1a9x h PHE 4818N -0.21 0.95 -0.41 0.00 0.04 -1.51 -0.58 116.94 115.21 1a9x h PHE 4818Ca 0.12 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.72 1a9x h PHE 4818Cb 0.38 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1a9x h PHE 4818CO -0.32 0.94 0.22 1.49 -0.60 0.00 0.00 178.31 180.04 1a9x h GLU 4819N 0.68 0.43 -0.01 1.51 4.57 -0.48 -2.02 114.58 119.28 1a9x h GLU 4819Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1a9x h GLU 4819Cb 0.61 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1a9x h GLU 4819CO 0.04 0.29 -0.02 1.28 -1.18 0.00 0.00 179.01 179.42 1a9x n LEU 4820N -4.89 0.52 -2.95 1.64 4.77 0.16 -4.91 117.00 111.34 1a9x n LEU 4820Ca 0.02 -0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.68 1a9x n LEU 4820Cb 0.08 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1a9x n LEU 4820CO 0.31 0.09 0.18 0.00 -1.33 0.00 0.00 177.39 176.64 1a9x n GLN 4821N -0.65 -6.21 -2.15 3.23 1.13 -0.35 -4.71 117.38 107.67 1a9x n GLN 4821Ca 0.21 0.66 -0.41 0.00 -1.94 0.00 0.00 57.00 55.52 1a9x n GLN 4821Cb 0.21 -5.18 -0.02 0.00 0.11 0.00 0.00 30.24 25.36 1a9x n GLN 4821CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1a9x s VAL 4822N -3.26 2.85 -0.35 5.09 1.01 -0.49 -4.65 120.40 120.60 1a9x s VAL 4822Ca 0.41 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 1a9x s VAL 4822Cb -0.18 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1a9x s VAL 4822CO 0.58 0.18 0.19 -0.13 0.00 0.00 0.00 175.10 175.91 1a9x s ARG 4823N -1.38 0.67 0.00 2.72 1.81 -1.25 -4.05 118.95 117.47 1a9x s ARG 4823Ca 0.51 -1.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1a9x s ARG 4823Cb -0.39 -1.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1a9x s ARG 4823CO 0.49 -1.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.38 1a9x n GLY 4824N 4.26 0.57 3.85 -3.53 0.00 -0.13 -1.86 105.19 108.35 1a9x n GLY 4824Ca 0.06 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1a9x n GLY 4824CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 4825N 0.00 3.50 0.14 0.99 1.43 -1.26 -1.56 118.68 121.92 1a9x s LEU 4825Ca 0.00 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.49 1a9x s LEU 4825Cb 0.00 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1a9x s LEU 4825CO 0.00 -0.70 0.39 0.00 0.23 0.00 0.00 176.35 176.28 1a9x s MET 4826N -4.41 1.13 -0.01 1.70 0.23 -0.38 -2.64 119.30 114.93 1a9x s MET 4826Ca 0.58 -0.82 -0.01 0.00 -1.03 0.00 0.00 55.69 54.40 1a9x s MET 4826Cb -0.10 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 1a9x s MET 4826CO 0.38 -0.44 0.03 1.21 -2.03 0.00 0.00 175.02 174.17 1a9x s ASN 4827N -2.84 -0.02 -0.02 -1.18 3.84 0.20 -1.69 114.94 113.23 1a9x s ASN 4827Ca 0.06 0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.16 1a9x s ASN 4827Cb 0.02 0.07 0.02 0.00 -0.55 0.00 0.00 41.25 40.80 1a9x s ASN 4827CO -0.08 -0.03 0.00 -0.69 -2.79 0.00 0.00 177.10 173.51 1a9x s VAL 4828N -0.09 0.13 -0.12 -5.21 1.01 -0.29 -0.09 120.40 115.74 1a9x s VAL 4828Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1a9x s VAL 4828Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1a9x s VAL 4828CO 0.00 0.11 -0.09 -1.10 0.00 0.00 0.00 175.10 174.03 1a9x s GLN 4829N 0.80 3.28 0.25 2.72 -0.21 -0.16 -0.18 119.66 126.16 1a9x s GLN 4829Ca -0.08 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.74 1a9x s GLN 4829Cb -0.11 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 1a9x s GLN 4829CO -0.02 0.35 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.44 1a9x s PHE 4830N 0.02 1.70 -0.02 0.91 0.08 0.71 -0.50 117.98 120.88 1a9x s PHE 4830Ca -0.02 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.15 1a9x s PHE 4830Cb -0.14 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1a9x s PHE 4830CO 0.03 0.03 -0.03 0.00 -0.10 0.00 0.00 175.22 175.15 1a9x s ALA 4831N -3.32 0.47 -0.21 5.36 0.00 -0.45 -1.11 121.76 122.50 1a9x s ALA 4831Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 1a9x s ALA 4831Cb 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1a9x s ALA 4831CO 0.10 0.02 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 1a9x s VAL 4832N 0.57 2.53 -0.06 0.00 1.01 -0.55 0.65 120.40 124.55 1a9x s VAL 4832Ca -0.07 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1a9x s VAL 4832Cb -0.10 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1a9x s VAL 4832CO -0.00 0.41 -0.06 -0.75 0.00 0.00 0.00 175.10 174.70 1a9x s LYS 4833N 1.33 1.04 -1.47 2.72 2.20 -0.71 -1.64 119.74 123.21 1a9x s LYS 4833Ca 0.03 -0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1a9x s LYS 4833Cb -0.14 -1.05 0.05 0.00 -1.51 0.00 0.00 37.83 35.18 1a9x s LYS 4833CO -0.09 -0.12 0.73 0.09 -0.36 0.00 0.00 175.35 175.61 1a9x n ASN 4834N 4.28 -2.45 -1.03 1.43 4.13 -1.26 -1.06 115.26 119.29 1a9x n ASN 4834Ca -0.20 -0.88 -0.13 0.00 1.68 0.00 0.00 54.58 55.04 1a9x n ASN 4834Cb 0.51 -3.55 -0.05 0.00 -1.54 0.00 0.00 39.78 35.15 1a9x n ASN 4834CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1a9x n ASN 4835N -2.91 -4.53 -4.22 6.41 2.85 -1.26 -4.99 115.26 106.61 1a9x n ASN 4835Ca -0.13 0.30 -0.26 0.00 -0.11 0.00 0.00 54.58 54.37 1a9x n ASN 4835Cb 0.60 -3.21 -0.15 0.00 1.24 0.00 0.00 39.78 38.26 1a9x n ASN 4835CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1a9x s GLU 4836N -3.21 1.53 -0.24 1.20 2.02 -0.23 -5.06 118.70 114.71 1a9x s GLU 4836Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 1a9x s GLU 4836Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 1a9x s GLU 4836CO 0.00 0.41 0.37 0.08 0.02 0.00 0.00 175.26 176.15 1a9x s VAL 4837N -0.59 5.19 -0.05 2.63 1.01 -1.26 -1.74 120.40 125.60 1a9x s VAL 4837Ca 0.08 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1a9x s VAL 4837Cb -0.08 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1a9x s VAL 4837CO 0.00 0.20 -0.10 -0.31 0.00 0.00 0.00 175.10 174.89 1a9x s TYR 4838N 1.72 2.82 -0.15 5.22 1.51 0.21 -4.44 117.35 124.24 1a9x s TYR 4838Ca 0.16 -0.07 -0.28 0.00 -1.01 0.00 0.00 57.07 55.88 1a9x s TYR 4838Cb -0.15 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1a9x s TYR 4838CO 0.09 0.28 0.94 -1.17 -1.11 0.00 0.00 175.55 174.57 1a9x s LEU 4839N -0.89 4.20 -0.20 -1.29 2.96 0.24 -1.35 118.68 122.36 1a9x s LEU 4839Ca 0.13 1.36 -0.16 0.00 -0.22 0.00 0.00 54.13 55.24 1a9x s LEU 4839Cb -0.11 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 1a9x s LEU 4839CO 0.02 -0.46 -0.29 -0.38 -1.32 0.00 0.00 176.35 173.92 1a9x n ILE 4840N 4.73 1.50 -3.45 6.68 5.41 0.34 -4.45 119.36 130.13 1a9x n ILE 4840Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 1a9x n ILE 4840Cb 0.48 -2.22 -0.03 0.00 -0.71 0.00 0.00 39.64 37.17 1a9x n ILE 4840CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1a9x s GLU 4841N -2.67 1.23 -0.11 0.38 -1.05 -1.07 -4.98 118.70 110.43 1a9x s GLU 4841Ca -0.29 -0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.22 1a9x s GLU 4841Cb 0.07 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.33 1a9x s GLU 4841CO 0.43 -0.51 -0.22 0.08 0.95 0.00 0.00 175.26 175.98 1a9x s VAL 4842N -3.25 1.99 -0.40 1.83 1.01 -1.26 -0.99 120.40 119.32 1a9x s VAL 4842Ca -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1a9x s VAL 4842Cb -0.01 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1a9x s VAL 4842CO -0.09 0.54 0.13 0.20 0.00 0.00 0.00 175.10 175.88 1a9x s ASN 4843N 0.55 4.53 -1.21 3.32 0.01 0.87 -4.58 114.94 118.42 1a9x s ASN 4843Ca -0.14 -2.41 -0.09 0.00 -0.71 0.00 0.00 52.86 49.52 1a9x s ASN 4843Cb -0.17 -1.55 -0.13 0.00 0.41 0.00 0.00 41.25 39.82 1a9x s ASN 4843CO 0.04 -0.33 3.03 -0.81 -1.51 0.00 0.00 177.10 177.52 1a9x n PRO 4844N 3.91 3.19 -2.65 -0.60 -0.04 -1.26 0.61 135.00 138.17 1a9x n PRO 4844Ca 0.04 -1.87 -0.03 0.00 -0.04 0.00 0.00 63.50 61.61 1a9x n PRO 4844Cb 0.39 -2.59 0.01 0.00 -0.04 0.00 0.00 33.50 31.27 1a9x n PRO 4844CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1a9x n ARG 4845N 3.38 0.45 -2.58 0.54 1.85 -1.08 -4.82 116.66 114.40 1a9x n ARG 4845Ca 0.68 -0.96 -0.42 0.00 -1.00 0.00 0.00 57.85 56.15 1a9x n ARG 4845Cb 0.37 1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 33.00 1a9x n ARG 4845CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a9x s ALA 4846N -1.57 3.26 0.33 2.89 0.00 -0.93 -3.72 121.76 122.03 1a9x s ALA 4846Ca 0.11 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1a9x s ALA 4846Cb -0.02 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1a9x s ALA 4846CO 0.04 -0.32 0.48 0.00 0.00 0.00 0.00 175.76 175.97 1a9x s ALA 4847N 1.01 4.05 -0.85 0.00 0.00 -1.26 -4.82 121.76 119.89 1a9x s ALA 4847Ca 0.55 -1.31 0.12 0.00 0.00 0.00 0.00 51.96 51.32 1a9x s ALA 4847Cb -0.25 -1.79 0.52 0.00 0.00 0.00 0.00 23.12 21.60 1a9x s ALA 4847CO 0.29 -0.02 1.37 2.89 0.00 0.00 0.00 175.76 180.28 1a9x n ARG 4848N -1.67 0.04 0.02 0.00 1.85 -1.26 -2.23 116.66 113.41 1a9x n ARG 4848Ca -0.02 0.40 0.13 0.00 -1.00 0.00 0.00 57.85 57.35 1a9x n ARG 4848Cb 0.58 -1.60 0.43 0.00 -1.05 0.00 0.00 32.46 30.82 1a9x n ARG 4848CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1a9x n THR 4849N -1.68 0.11 -0.09 8.89 -2.24 -1.26 -4.34 114.28 113.67 1a9x n THR 4849Ca 0.02 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1a9x n THR 4849Cb 0.11 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1a9x n THR 4849CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a9x h VAL 4850N 0.00 0.71 -0.74 2.28 2.07 -1.83 -1.74 116.25 117.00 1a9x h VAL 4850Ca 0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1a9x h VAL 4850Cb 0.55 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1a9x h VAL 4850CO 0.00 0.01 0.45 -0.65 0.02 0.00 0.00 177.57 177.40 1a9x h PRO 4851N 0.04 0.83 -0.37 1.57 0.11 -1.84 -0.57 132.00 131.76 1a9x h PRO 4851Ca 0.16 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1a9x h PRO 4851Cb 0.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1a9x h PRO 4851CO -0.30 0.55 0.22 0.35 -0.21 0.00 0.00 178.00 178.61 1a9x h PHE 4852N 0.85 0.49 -0.39 0.65 3.57 -1.72 -1.51 116.94 118.90 1a9x h PHE 4852Ca 0.31 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 1a9x h PHE 4852Cb 0.11 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1a9x h PHE 4852CO -0.05 0.36 -0.11 0.28 -2.23 0.00 0.00 178.31 176.56 1a9x h VAL 4853N 0.49 1.25 -0.24 1.41 2.07 -0.91 0.30 116.25 120.62 1a9x h VAL 4853Ca 0.13 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1a9x h VAL 4853Cb 0.01 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1a9x h VAL 4853CO -0.02 0.37 0.14 0.28 0.02 0.00 0.00 177.57 178.36 1a9x h SER 4854N 0.62 0.24 -0.21 0.57 0.02 -0.65 0.20 113.55 114.34 1a9x h SER 4854Ca 0.11 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1a9x h SER 4854Cb 0.54 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1a9x h SER 4854CO 0.03 0.18 0.03 0.11 -1.14 0.00 0.00 176.83 176.04 1a9x h LYS 4855N 0.30 0.35 -0.35 3.45 1.79 -1.00 0.18 116.57 121.29 1a9x h LYS 4855Ca 0.09 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 1a9x h LYS 4855Cb -0.02 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1a9x h LYS 4855CO -0.03 0.50 -0.31 0.00 -1.08 0.00 0.00 179.45 178.52 1a9x h ALA 4856N 0.83 0.80 0.00 3.86 0.00 -0.73 -3.29 119.26 120.73 1a9x h ALA 4856Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1a9x h ALA 4856Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a9x h ALA 4856CO 0.00 0.65 -0.93 0.25 0.00 0.00 0.00 179.25 179.22 1a9x n THR 4857N -4.07 0.01 -0.95 0.00 -2.24 0.70 -4.83 114.28 102.90 1a9x n THR 4857Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1a9x n THR 4857Cb 0.48 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1a9x n THR 4857CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4858N 1.49 0.79 3.45 3.38 0.00 0.63 -5.00 105.19 109.93 1a9x n GLY 4858Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1a9x n GLY 4858CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4859N -3.13 4.18 -1.21 1.61 1.01 -1.15 -5.03 120.40 116.68 1a9x s VAL 4859Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 1a9x s VAL 4859Cb 0.00 -2.93 0.14 0.00 0.00 0.00 0.00 36.38 33.59 1a9x s VAL 4859CO 0.00 0.38 1.50 -2.16 0.00 0.00 0.00 175.10 174.81 1a9x s PRO 4860N 1.36 4.03 0.34 2.72 0.04 -1.26 -4.09 135.00 138.14 1a9x s PRO 4860Ca 0.05 -2.37 0.13 0.00 0.04 0.00 0.00 61.00 58.85 1a9x s PRO 4860Cb -0.15 -5.18 1.00 0.00 0.04 0.00 0.00 34.50 30.21 1a9x s PRO 4860CO 0.02 -1.90 1.71 -0.07 0.04 0.00 0.00 177.00 176.80 1a9x h LEU 4861N 10.54 0.58 -0.98 -3.56 3.38 -1.92 -0.17 115.31 123.19 1a9x h LEU 4861Ca 0.34 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.40 1a9x h LEU 4861Cb 0.88 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1a9x h LEU 4861CO 1.30 0.01 0.15 0.00 0.09 0.00 0.00 178.44 179.99 1a9x h ALA 4862N 1.75 1.17 -0.06 1.53 0.00 -1.92 0.19 119.26 121.93 1a9x h ALA 4862Ca 0.67 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1a9x h ALA 4862Cb 1.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a9x h ALA 4862CO -0.49 0.57 -0.25 0.87 0.00 0.00 0.00 179.25 179.95 1a9x h LYS 4863N 0.86 0.27 -0.79 0.00 1.57 -1.31 -1.09 116.57 116.07 1a9x h LYS 4863Ca 0.19 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1a9x h LYS 4863Cb 0.30 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1a9x h LYS 4863CO -0.00 0.86 0.51 0.28 -0.57 0.00 0.00 179.45 180.53 1a9x h VAL 4864N -0.25 1.16 -0.34 0.50 2.07 -1.03 -0.88 116.25 117.48 1a9x h VAL 4864Ca -0.01 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1a9x h VAL 4864Cb 0.90 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1a9x h VAL 4864CO 0.05 0.19 -0.22 0.00 0.02 0.00 0.00 177.57 177.61 1a9x h ALA 4865N 1.31 0.98 -0.42 1.67 0.00 -0.60 0.63 119.26 122.84 1a9x h ALA 4865Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a9x h ALA 4865Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a9x h ALA 4865CO -0.09 0.60 0.21 0.00 0.00 0.00 0.00 179.25 179.97 1a9x h ALA 4866N 1.18 0.55 -0.93 0.00 0.00 -0.77 0.11 119.26 119.38 1a9x h ALA 4866Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 4866Cb 0.69 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1a9x h ALA 4866CO 0.05 0.10 0.55 0.00 0.00 0.00 0.00 179.25 179.95 1a9x h ARG 4867N 0.55 1.28 -0.32 0.00 3.08 -0.87 0.11 114.38 118.20 1a9x h ARG 4867Ca 0.15 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1a9x h ARG 4867Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1a9x h ARG 4867CO -0.02 0.90 0.16 0.28 -1.07 0.00 0.00 179.97 180.22 1a9x h VAL 4868N 1.29 1.15 -0.31 2.04 2.07 -0.02 0.25 116.25 122.71 1a9x h VAL 4868Ca 0.33 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1a9x h VAL 4868Cb -0.04 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1a9x h VAL 4868CO -0.06 0.16 0.20 0.24 0.02 0.00 0.00 177.57 178.13 1a9x h MET 4869N 0.39 0.42 -0.00 1.57 2.86 -0.05 0.58 114.93 120.69 1a9x h MET 4869Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1a9x h MET 4869Cb 0.10 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1a9x h MET 4869CO -0.02 0.28 -0.00 0.00 1.06 0.00 0.00 176.91 178.23 1a9x n ALA 4870N -2.49 2.67 0.00 6.32 0.00 -0.05 -4.03 120.51 122.93 1a9x n ALA 4870Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1a9x n ALA 4870Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1a9x n ALA 4870CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4871N 1.03 1.23 3.32 0.00 0.00 0.20 -5.07 105.19 105.90 1a9x n GLY 4871Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1a9x n GLY 4871CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a9x s LYS 4872N -0.54 2.93 1.06 1.61 2.20 0.02 -4.99 119.74 122.04 1a9x s LYS 4872Ca 0.00 -0.97 -0.12 0.00 -0.36 0.00 0.00 55.97 54.52 1a9x s LYS 4872Cb 0.00 -3.40 0.21 0.00 -1.51 0.00 0.00 37.83 33.13 1a9x s LYS 4872CO 0.00 -0.52 0.97 -1.13 -0.36 0.00 0.00 175.35 174.31 1a9x n SER 4873N 4.85 -1.00 -0.06 1.43 3.41 -1.26 -3.41 113.62 117.57 1a9x n SER 4873Ca -0.14 0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.45 1a9x n SER 4873Cb 0.47 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 1a9x n SER 4873CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1a9x h LEU 4874N -2.29 0.33 -0.14 1.04 3.38 -1.95 0.12 115.31 115.80 1a9x h LEU 4874Ca -0.53 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.20 1a9x h LEU 4874Cb 1.31 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1a9x h LEU 4874CO 0.44 0.51 -0.07 0.00 0.09 0.00 0.00 178.44 179.42 1a9x h ALA 4875N 0.82 0.06 -0.60 1.53 0.00 -1.92 0.40 119.26 119.55 1a9x h ALA 4875Ca 0.06 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1a9x h ALA 4875Cb 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1a9x h ALA 4875CO 0.01 -0.51 0.40 0.93 0.00 0.00 0.00 179.25 180.07 1a9x h GLU 4876N -0.05 0.58 0.00 0.00 5.08 -1.85 0.11 114.58 118.45 1a9x h GLU 4876Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1a9x h GLU 4876Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1a9x h GLU 4876CO -0.18 0.38 -0.12 1.96 -1.00 0.00 0.00 179.01 180.06 1a9x h GLN 4877N 0.60 0.00 -0.02 2.33 4.20 0.58 -3.47 115.11 119.32 1a9x h GLN 4877Ca 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1a9x h GLN 4877Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1a9x h GLN 4877CO -0.08 0.00 -0.00 0.41 -0.67 0.00 0.00 178.83 178.49 1a9x n GLY 4878N 1.25 0.38 2.96 3.46 0.00 0.13 -5.00 105.19 108.37 1a9x n GLY 4878Ca 0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1a9x n GLY 4878CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4879N -2.01 2.73 0.00 1.61 1.01 -0.43 -4.90 120.40 118.41 1a9x s VAL 4879Ca 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 61.98 58.59 1a9x s VAL 4879Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1a9x s VAL 4879CO 0.00 -0.83 0.02 0.35 0.00 0.00 0.00 175.10 174.64 1a9x n THR 4880N 3.02 0.00 -4.53 3.92 -2.24 -1.26 -4.59 114.28 108.60 1a9x n THR 4880Ca 0.07 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1a9x n THR 4880Cb 0.33 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 1a9x n THR 4880CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a9x s LYS 4881N -0.72 1.96 0.23 -0.78 -0.14 -1.26 -4.93 119.74 114.10 1a9x s LYS 4881Ca 0.00 -1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 53.26 1a9x s LYS 4881Cb 0.00 -2.16 -0.09 0.00 -1.68 0.00 0.00 37.83 33.90 1a9x s LYS 4881CO 0.00 0.52 1.27 -2.00 -0.76 0.00 0.00 175.35 174.38 1a9x s GLU 4882N -1.69 4.43 -0.12 1.68 2.12 -1.26 -4.97 118.70 118.89 1a9x s GLU 4882Ca 0.16 2.03 -0.17 0.00 0.36 0.00 0.00 54.97 57.34 1a9x s GLU 4882Cb -0.11 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1a9x s GLU 4882CO 0.07 -0.17 0.43 0.08 -0.54 0.00 0.00 175.26 175.13 1a9x s VAL 4883N -0.24 5.20 -0.23 3.70 1.01 -1.26 -5.05 120.40 123.53 1a9x s VAL 4883Ca 0.54 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1a9x s VAL 4883Cb -0.36 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1a9x s VAL 4883CO 0.41 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 175.10 1a9x s ILE 4884N 0.45 2.27 0.51 2.22 -1.09 -1.26 -4.97 121.20 119.33 1a9x s ILE 4884Ca 0.24 -1.24 -0.19 0.00 -2.23 0.00 0.00 60.65 57.23 1a9x s ILE 4884Cb -0.15 -2.15 -0.08 0.00 -1.58 0.00 0.00 42.46 38.51 1a9x s ILE 4884CO 0.09 0.24 1.03 -2.84 -1.23 0.00 0.00 174.94 172.24 1a9x s PRO 4885N 1.22 3.74 0.00 2.79 0.02 -1.26 -4.94 135.00 136.57 1a9x s PRO 4885Ca -0.02 1.29 0.31 0.00 0.02 0.00 0.00 61.00 62.61 1a9x s PRO 4885Cb -0.17 -2.09 1.70 0.00 0.02 0.00 0.00 34.50 33.97 1a9x s PRO 4885CO -0.08 -0.47 2.13 -0.35 -0.33 0.00 0.00 177.00 177.90 1a9x n PRO 4886N -1.19 0.70 -4.34 5.54 -0.04 -1.26 -4.80 135.00 129.61 1a9x n PRO 4886Ca 0.09 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1a9x n PRO 4886Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1a9x n PRO 4886CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1a9x s TYR 4887N -2.30 1.58 0.13 0.54 -0.85 -1.26 -4.96 117.35 110.24 1a9x s TYR 4887Ca 0.38 -0.96 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 1a9x s TYR 4887Cb 0.21 -0.93 -0.06 0.00 0.38 0.00 0.00 41.96 41.56 1a9x s TYR 4887CO 0.42 -0.08 0.43 0.71 -1.52 0.00 0.00 175.55 175.51 1a9x s TYR 4888N -3.46 3.52 -0.11 -3.49 2.02 0.15 -4.62 117.35 111.36 1a9x s TYR 4888Ca 0.30 0.75 0.01 0.00 -0.37 0.00 0.00 57.07 57.77 1a9x s TYR 4888Cb 0.06 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1a9x s TYR 4888CO 0.10 0.44 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.27 1a9x s SER 4889N -2.08 2.30 -0.03 2.29 0.01 -0.65 0.27 113.70 115.82 1a9x s SER 4889Ca 0.39 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.33 1a9x s SER 4889Cb -0.13 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 1a9x s SER 4889CO 0.21 -0.02 -0.24 -0.69 0.41 0.00 0.00 173.24 172.91 1a9x s VAL 4890N 1.13 1.93 -0.10 3.43 1.01 0.98 -1.43 120.40 127.35 1a9x s VAL 4890Ca -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1a9x s VAL 4890Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1a9x s VAL 4890CO -0.03 0.55 -0.03 -0.75 0.00 0.00 0.00 175.10 174.83 1a9x s LYS 4891N -0.49 3.08 0.07 2.72 2.20 0.28 -0.17 119.74 127.43 1a9x s LYS 4891Ca 0.07 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 1a9x s LYS 4891Cb -0.10 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1a9x s LYS 4891CO -0.00 0.57 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.43 1a9x s GLU 4892N -0.53 0.77 0.43 4.03 2.56 -0.93 -0.84 118.70 124.20 1a9x s GLU 4892Ca 0.09 -0.93 0.07 0.00 0.00 0.00 0.00 54.97 54.20 1a9x s GLU 4892Cb -0.12 -0.72 -0.02 0.00 2.00 0.00 0.00 34.13 35.26 1a9x s GLU 4892CO 0.02 0.16 0.31 0.14 -0.56 0.00 0.00 175.26 175.33 1a9x s VAL 4893N -1.34 2.38 -0.06 3.70 -7.23 -1.26 -1.11 120.40 115.48 1a9x s VAL 4893Ca -0.03 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1a9x s VAL 4893Cb -0.10 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 1a9x s VAL 4893CO 0.02 0.00 -0.19 0.68 -0.31 0.00 0.00 175.10 175.30 1a9x s VAL 4894N -2.56 1.58 -0.02 1.32 -7.23 -0.86 -4.92 120.40 107.70 1a9x s VAL 4894Ca 0.43 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.87 1a9x s VAL 4894Cb -0.00 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1a9x s VAL 4894CO 0.25 0.45 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.59 1a9x s LEU 4895N 0.19 2.76 0.00 1.32 1.43 -1.26 -1.87 118.68 121.25 1a9x s LEU 4895Ca -0.09 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1a9x s LEU 4895Cb -0.14 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1a9x s LEU 4895CO 0.04 0.32 0.74 -0.81 0.23 0.00 0.00 176.35 176.87 1a9x n PRO 4896N 2.05 0.97 -0.32 1.29 -0.04 -1.26 -4.46 135.00 133.22 1a9x n PRO 4896Ca -0.17 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1a9x n PRO 4896Cb 0.52 -1.24 0.34 0.00 -0.04 0.00 0.00 33.50 33.08 1a9x n PRO 4896CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a9x h PHE 4897N 0.01 0.84 0.00 0.54 0.04 -1.93 0.20 116.94 116.65 1a9x h PHE 4897Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1a9x h PHE 4897Cb 0.24 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1a9x h PHE 4897CO 0.00 0.03 0.00 -2.95 -0.60 0.00 0.00 178.31 174.79 1a9x h ASN 4898N 0.52 0.00 0.91 2.17 -1.07 -1.98 -1.67 115.58 114.45 1a9x h ASN 4898Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.96 1a9x h ASN 4898Cb 1.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1a9x h ASN 4898CO -0.48 0.00 -0.43 0.29 0.07 0.00 0.00 177.43 176.87 1a9x n LYS 4899N -2.71 0.20 -3.28 4.14 4.76 0.72 -4.35 118.16 117.64 1a9x n LYS 4899Ca -0.02 0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 1a9x n LYS 4899Cb 0.09 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1a9x n LYS 4899CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1a9x n PHE 4900N -1.95 0.14 -0.36 2.13 3.72 -0.63 -5.00 117.46 115.52 1a9x n PHE 4900Ca 0.04 -3.61 0.31 0.00 -0.05 0.00 0.00 57.45 54.14 1a9x n PHE 4900Cb 0.41 -0.28 0.63 0.00 -0.94 0.00 0.00 39.48 39.30 1a9x n PHE 4900CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a9x h PRO 4901N 4.35 0.18 -0.89 -1.08 0.13 -1.75 -0.84 132.00 132.09 1a9x h PRO 4901Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1a9x h PRO 4901Cb 0.85 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1a9x h PRO 4901CO 0.50 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 1a9x n GLY 4902N -1.61 1.47 3.83 1.56 0.00 -1.26 -4.79 105.19 104.40 1a9x n GLY 4902Ca 0.28 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1a9x n GLY 4902CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 4903N -1.23 4.96 -0.23 1.61 1.01 -0.32 -4.51 120.40 121.68 1a9x s VAL 4903Ca 0.05 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1a9x s VAL 4903Cb 0.04 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1a9x s VAL 4903CO 0.02 0.25 0.92 -0.62 0.00 0.00 0.00 175.10 175.67 1a9x s ASP 4904N -2.09 6.96 -1.00 3.32 2.15 -1.26 -4.89 116.67 119.87 1a9x s ASP 4904Ca 0.28 1.20 -0.06 0.00 0.43 0.00 0.00 52.55 54.40 1a9x s ASP 4904Cb -0.12 -2.48 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 1a9x s ASP 4904CO 0.20 -0.57 2.30 -2.65 -0.17 0.00 0.00 175.17 174.27 1a9x n PRO 4905N 6.08 2.34 -5.20 4.34 -0.02 -1.26 -4.86 135.00 136.41 1a9x n PRO 4905Ca 0.08 -1.55 -0.32 0.00 -2.02 0.00 0.00 63.50 59.70 1a9x n PRO 4905Cb 0.47 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 1a9x n PRO 4905CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a9x s LEU 4906N 0.10 2.20 0.61 2.45 2.96 -1.26 -4.98 118.68 120.76 1a9x s LEU 4906Ca 0.45 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1a9x s LEU 4906Cb 0.12 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1a9x s LEU 4906CO -0.04 0.30 0.99 -0.76 -1.32 0.00 0.00 176.35 175.52 1a9x s LEU 4907N -0.46 3.25 0.00 -0.68 1.43 -1.26 -5.06 118.68 115.89 1a9x s LEU 4907Ca 0.05 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1a9x s LEU 4907Cb -0.11 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.87 1a9x s LEU 4907CO 0.01 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1a9x n GLY 4908N -2.70 0.77 0.00 -3.19 0.00 -1.26 -5.00 105.19 93.81 1a9x n GLY 4908Ca 0.05 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1a9x n GLY 4908CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 4909N 0.00 0.57 -4.03 1.61 -0.04 0.06 -0.37 135.00 132.80 1a9x n PRO 4909Ca 0.00 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 1a9x n PRO 4909Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1a9x n PRO 4909CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1a9x s GLU 4910N -2.12 3.75 0.03 0.54 2.12 -1.26 -4.49 118.70 117.27 1a9x s GLU 4910Ca 0.29 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 1a9x s GLU 4910Cb 0.14 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 1a9x s GLU 4910CO 0.25 0.08 1.26 1.41 -0.54 0.00 0.00 175.26 177.72 1a9x s MET 4911N 0.86 4.38 0.00 4.30 -2.45 -1.26 -4.78 119.30 120.35 1a9x s MET 4911Ca 0.02 1.82 0.00 0.00 -1.25 0.00 0.00 55.69 56.28 1a9x s MET 4911Cb -0.14 -3.42 0.00 0.00 1.25 0.00 0.00 34.83 32.52 1a9x s MET 4911CO 0.02 -0.37 0.20 0.54 1.05 0.00 0.00 175.02 176.46 1a9x n ARG 4912N 4.45 2.26 -2.03 4.11 3.00 -1.26 -4.88 116.66 122.31 1a9x n ARG 4912Ca 0.10 -0.20 -0.34 0.00 -0.01 0.00 0.00 57.85 57.41 1a9x n ARG 4912Cb 0.45 -0.65 0.02 0.00 0.00 0.00 0.00 32.46 32.29 1a9x n ARG 4912CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1a9x s SER 4913N -0.38 5.53 -0.19 0.55 1.04 -1.26 -4.35 113.70 114.64 1a9x s SER 4913Ca 0.00 2.01 0.16 0.00 0.48 0.00 0.00 55.95 58.61 1a9x s SER 4913Cb 0.00 -2.56 -0.24 0.00 0.10 0.00 0.00 66.02 63.32 1a9x s SER 4913CO 0.00 -1.35 0.10 0.35 0.98 0.00 0.00 173.24 173.33 1a9x n THR 4914N -1.88 1.42 -3.40 2.02 -2.24 -0.78 -4.39 114.28 105.02 1a9x n THR 4914Ca 0.10 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 61.01 1a9x n THR 4914Cb 0.52 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1a9x n THR 4914CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 4915N 1.77 2.03 3.28 3.38 0.00 -1.14 -4.63 105.19 109.88 1a9x n GLY 4915Ca -0.32 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1a9x n GLY 4915CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 4916N -2.10 0.99 0.13 1.61 -1.05 -1.26 -2.03 118.70 115.00 1a9x s GLU 4916Ca 0.06 -0.83 0.05 0.00 -0.15 0.00 0.00 54.97 54.11 1a9x s GLU 4916Cb -0.01 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1a9x s GLU 4916CO 0.05 -0.36 -0.12 0.14 0.95 0.00 0.00 175.26 175.91 1a9x s VAL 4917N -3.83 1.25 0.04 1.83 -7.23 -0.26 -4.31 120.40 107.89 1a9x s VAL 4917Ca 0.04 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1a9x s VAL 4917Cb 0.03 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1a9x s VAL 4917CO -0.11 -0.57 -0.23 -0.32 -0.31 0.00 0.00 175.10 173.56 1a9x s MET 4918N -3.14 1.60 -0.04 4.82 1.75 -0.76 -2.18 119.30 121.35 1a9x s MET 4918Ca 0.12 -1.00 0.05 0.00 -1.25 0.00 0.00 55.69 53.62 1a9x s MET 4918Cb -0.02 -1.73 -0.01 0.00 2.84 0.00 0.00 34.83 35.92 1a9x s MET 4918CO 0.02 0.45 -0.21 0.20 -0.65 0.00 0.00 175.02 174.83 1a9x s GLY 4919N -1.14 1.07 -0.14 2.11 0.00 0.76 -4.52 107.32 105.46 1a9x s GLY 4919Ca 0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1a9x s GLY 4919CO 0.02 -0.52 -0.11 0.14 0.00 0.00 0.00 173.10 172.63 1a9x s VAL 4920N -0.12 3.18 0.20 1.40 1.01 -1.26 -0.02 120.40 124.80 1a9x s VAL 4920Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1a9x s VAL 4920Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1a9x s VAL 4920CO 0.02 0.51 0.39 -0.83 0.00 0.00 0.00 175.10 175.20 1a9x s GLY 4921N 0.50 0.45 0.29 4.51 0.00 0.14 -4.42 107.32 108.79 1a9x s GLY 4921Ca -0.08 -0.81 0.25 0.00 0.00 0.00 0.00 44.72 44.08 1a9x s GLY 4921CO 0.04 -0.68 1.63 3.21 0.00 0.00 0.00 173.10 177.30 1a9x h ARG 4922N 2.37 0.00 -4.78 2.90 3.08 -1.93 0.43 114.38 116.45 1a9x h ARG 4922Ca -0.29 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.48 1a9x h ARG 4922Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.15 1a9x h ARG 4922CO 0.41 0.00 -0.66 0.95 -1.07 0.00 0.00 179.97 179.60 1a9x s THR 4923N -3.16 0.65 0.11 2.04 -4.23 -1.26 -4.67 115.64 105.13 1a9x s THR 4923Ca 0.08 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.40 1a9x s THR 4923Cb 0.09 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 1a9x s THR 4923CO 0.65 -0.48 1.71 0.15 -0.54 0.00 0.00 174.62 176.11 1a9x h PHE 4924N 2.70 -0.10 -0.58 3.99 3.57 -1.95 -1.69 116.94 122.87 1a9x h PHE 4924Ca -0.37 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.27 1a9x h PHE 4924Cb 1.20 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.90 1a9x h PHE 4924CO 0.53 -0.07 -0.03 0.00 -2.23 0.00 0.00 178.31 176.51 1a9x h ALA 4925N 1.09 0.53 -0.00 2.41 0.00 -1.94 0.32 119.26 121.67 1a9x h ALA 4925Ca 0.06 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 4925Cb 0.12 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a9x h ALA 4925CO -0.13 -0.40 0.00 1.49 0.00 0.00 0.00 179.25 180.20 1a9x h GLU 4926N 0.09 0.00 -0.53 0.00 4.81 -1.82 0.89 114.58 118.02 1a9x h GLU 4926Ca 0.30 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1a9x h GLU 4926Cb 0.48 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1a9x h GLU 4926CO -0.52 0.15 0.35 0.00 -0.73 0.00 0.00 179.01 178.26 1a9x h ALA 4927N 0.85 0.68 -0.65 2.92 0.00 -0.66 -1.94 119.26 120.45 1a9x h ALA 4927Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 4927Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1a9x h ALA 4927CO -0.00 0.13 0.43 0.35 0.00 0.00 0.00 179.25 180.16 1a9x h PHE 4928N 0.72 0.82 -0.76 0.00 3.57 -0.24 -1.05 116.94 120.01 1a9x h PHE 4928Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1a9x h PHE 4928Cb -0.07 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 1a9x h PHE 4928CO -0.03 0.52 0.48 0.00 -2.23 0.00 0.00 178.31 177.04 1a9x h ALA 4929N 1.24 1.41 -0.25 2.41 0.00 -0.51 0.59 119.26 124.15 1a9x h ALA 4929Ca 0.24 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 4929Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1a9x h ALA 4929CO -0.05 0.53 -0.57 0.87 0.00 0.00 0.00 179.25 180.02 1a9x h LYS 4930N 1.04 0.83 -0.54 0.00 1.57 -0.76 -0.36 116.57 118.34 1a9x h LYS 4930Ca 0.28 -0.56 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1a9x h LYS 4930Cb -0.08 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1a9x h LYS 4930CO -0.06 1.18 -0.06 0.00 -0.57 0.00 0.00 179.45 179.95 1a9x h ALA 4931N 0.64 0.74 -0.17 3.86 0.00 -0.84 0.55 119.26 124.04 1a9x h ALA 4931Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1a9x h ALA 4931Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1a9x h ALA 4931CO 0.13 0.61 0.08 0.37 0.00 0.00 0.00 179.25 180.43 1a9x h GLN 4932N 0.87 0.24 -0.59 0.00 4.15 0.24 -0.24 115.11 119.78 1a9x h GLN 4932Ca 0.15 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.43 1a9x h GLN 4932Cb 0.61 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1a9x h GLN 4932CO 0.04 0.28 -0.02 1.25 -1.93 0.00 0.00 178.83 178.45 1a9x h LEU 4933N 0.14 1.03 -2.11 -2.39 5.85 -0.83 -2.32 115.31 114.68 1a9x h LEU 4933Ca 0.06 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1a9x h LEU 4933Cb 0.12 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1a9x h LEU 4933CO -0.01 1.09 -0.05 1.23 -0.34 0.00 0.00 178.44 180.36 1a9x h GLY 4934N 0.98 0.00 -0.69 3.75 0.00 0.49 -0.69 103.07 106.91 1a9x h GLY 4934Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1a9x h GLY 4934CO 0.03 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 1a9x n SER 4935N -3.33 0.96 -0.55 0.19 3.41 -0.13 -4.80 113.62 109.36 1a9x n SER 4935Ca -0.02 -2.03 -0.06 0.00 -0.26 0.00 0.00 58.87 56.51 1a9x n SER 4935Cb 0.21 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1a9x n SER 4935CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a9x n ASN 4936N -0.05 -2.90 -4.77 4.04 4.05 -0.26 -4.90 115.26 110.48 1a9x n ASN 4936Ca 0.05 0.06 -0.34 0.00 0.45 0.00 0.00 54.58 54.79 1a9x n ASN 4936Cb 0.18 -1.68 0.03 0.00 1.23 0.00 0.00 39.78 39.53 1a9x n ASN 4936CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1a9x s SER 4937N -2.83 5.35 -0.24 1.20 0.15 -1.13 -4.93 113.70 111.26 1a9x s SER 4937Ca 0.00 2.15 0.13 0.00 0.70 0.00 0.00 55.95 58.93 1a9x s SER 4937Cb 0.00 -2.57 0.55 0.00 -1.71 0.00 0.00 66.02 62.29 1a9x s SER 4937CO 0.00 -1.47 1.50 0.35 1.20 0.00 0.00 173.24 174.82 1a9x n THR 4938N -1.80 2.49 -1.96 6.45 -2.24 -1.26 -4.88 114.28 111.07 1a9x n THR 4938Ca 0.12 -2.14 -0.39 0.00 -2.27 0.00 0.00 64.05 59.36 1a9x n THR 4938Cb 0.51 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1a9x n THR 4938CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1a9x s MET 4939N -3.01 3.83 0.41 -0.78 -2.45 -1.26 -4.31 119.30 111.74 1a9x s MET 4939Ca 0.45 2.24 0.07 0.00 -1.25 0.00 0.00 55.69 57.20 1a9x s MET 4939Cb 0.38 -2.69 -0.07 0.00 1.25 0.00 0.00 34.83 33.70 1a9x s MET 4939CO 0.06 -0.63 0.05 0.15 1.05 0.00 0.00 175.02 175.70 1a9x s LYS 4940N -2.35 2.03 -0.03 4.11 1.02 -1.26 -5.05 119.74 118.21 1a9x s LYS 4940Ca 0.59 -2.04 0.16 0.00 0.02 0.00 0.00 55.97 54.71 1a9x s LYS 4940Cb -0.40 -1.73 0.50 0.00 -0.52 0.00 0.00 37.83 35.68 1a9x s LYS 4940CO 0.51 -0.06 1.42 1.63 -0.92 0.00 0.00 175.35 177.93 1a9x n LYS 4941N -1.04 2.95 -3.95 1.68 4.76 -1.26 -4.96 118.16 116.34 1a9x n LYS 4941Ca -0.04 -2.44 -0.09 0.00 -2.87 0.00 0.00 58.31 52.87 1a9x n LYS 4941Cb 0.66 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 1a9x n LYS 4941CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1a9x s HIS 4942N -1.23 0.33 0.00 2.13 -3.43 -1.26 -4.87 115.29 106.96 1a9x s HIS 4942Ca 0.38 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1a9x s HIS 4942Cb 0.21 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 1a9x s HIS 4942CO 0.23 -0.88 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 1a9x n GLY 4943N -0.32 0.46 3.35 -1.38 0.00 -1.26 -4.79 105.19 101.25 1a9x n GLY 4943Ca -0.05 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.37 1a9x n GLY 4943CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 4944N 0.00 2.67 0.13 1.61 3.52 -1.26 -1.52 118.95 124.10 1a9x s ARG 4944Ca 0.00 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 1a9x s ARG 4944Cb 0.00 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1a9x s ARG 4944CO 0.00 0.43 0.17 0.00 -0.81 0.00 0.00 175.30 175.09 1a9x s ALA 4945N -0.26 3.72 -0.18 6.12 0.00 -0.31 -1.70 121.76 129.15 1a9x s ALA 4945Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 1a9x s ALA 4945Cb -0.13 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1a9x s ALA 4945CO 0.03 0.61 -0.15 -1.17 0.00 0.00 0.00 175.76 175.07 1a9x s LEU 4946N -2.90 2.40 -0.23 0.00 2.96 -0.46 -1.16 118.68 119.29 1a9x s LEU 4946Ca 0.32 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1a9x s LEU 4946Cb -0.11 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1a9x s LEU 4946CO 0.25 0.02 0.07 -0.76 -1.32 0.00 0.00 176.35 174.60 1a9x s LEU 4947N 1.21 3.53 -0.43 -0.68 1.02 0.39 -0.85 118.68 122.87 1a9x s LEU 4947Ca 0.02 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.09 1a9x s LEU 4947Cb -0.14 -1.93 0.17 0.00 0.02 0.00 0.00 46.19 44.31 1a9x s LEU 4947CO -0.07 0.02 0.51 -0.55 0.02 0.00 0.00 176.35 176.28 1a9x s SER 4948N 1.28 0.08 0.31 2.29 0.15 -0.38 -2.27 113.70 115.16 1a9x s SER 4948Ca 0.05 -1.95 0.11 0.00 0.70 0.00 0.00 55.95 54.86 1a9x s SER 4948Cb -0.15 0.89 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 1a9x s SER 4948CO 0.03 -0.16 -0.14 0.68 1.20 0.00 0.00 173.24 174.85 1a9x s VAL 4949N 0.92 2.38 0.93 4.45 -7.23 -1.26 -2.17 120.40 118.42 1a9x s VAL 4949Ca 0.25 -2.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 1a9x s VAL 4949Cb -0.04 -2.48 0.15 0.00 0.56 0.00 0.00 36.38 34.57 1a9x s VAL 4949CO -0.08 -0.30 1.15 0.00 -0.31 0.00 0.00 175.10 175.56 1a9x s ARG 4950N -3.56 0.99 0.18 4.82 1.70 -0.93 -4.73 118.95 117.41 1a9x s ARG 4950Ca 0.31 0.22 -0.22 0.00 -0.47 0.00 0.00 55.73 55.56 1a9x s ARG 4950Cb -0.01 -1.83 0.09 0.00 -0.57 0.00 0.00 34.95 32.63 1a9x s ARG 4950CO 0.16 -2.28 1.58 0.93 -1.08 0.00 0.00 175.30 174.61 1a9x h GLU 4951N -1.56 -0.19 -0.45 3.89 4.39 -1.98 -1.39 114.58 117.28 1a9x h GLU 4951Ca -0.50 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.30 1a9x h GLU 4951Cb 1.32 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 1a9x h GLU 4951CO 0.59 -0.13 0.04 0.78 -1.16 0.00 0.00 179.01 179.13 1a9x h GLY 4952N -0.20 0.50 2.00 -3.84 0.00 -2.01 -1.65 103.07 97.88 1a9x h GLY 4952Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1a9x h GLY 4952CO -0.65 -0.09 -0.07 -0.55 0.00 0.00 0.00 176.54 175.18 1a9x h ASP 4953N 0.16 0.00 0.00 0.19 3.32 -1.80 -3.24 116.42 115.06 1a9x h ASP 4953Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1a9x h ASP 4953Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1a9x h ASP 4953CO -0.34 0.07 0.52 0.11 -1.72 0.00 0.00 179.24 177.88 1a9x h LYS 4954N 0.00 0.00 0.00 3.56 1.57 -0.25 -1.65 116.57 119.80 1a9x h LYS 4954Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1a9x h LYS 4954Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1a9x h LYS 4954CO 0.01 0.00 -0.26 0.93 -0.57 0.00 0.00 179.45 179.56 1a9x h GLU 4955N 0.00 0.00 0.00 3.15 5.08 -1.74 -3.39 114.58 117.68 1a9x h GLU 4955Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 4955Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1a9x h GLU 4955CO 0.00 0.25 -0.22 0.00 -1.00 0.00 0.00 179.01 178.04 1a9x h ARG 4956N -1.00 0.00 -0.04 2.33 3.08 -1.67 -3.20 114.38 113.88 1a9x h ARG 4956Ca -0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1a9x h ARG 4956Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1a9x h ARG 4956CO -0.02 0.22 0.14 -0.24 -1.07 0.00 0.00 179.97 179.00 1a9x h VAL 4957N 0.00 0.12 -0.35 2.04 3.04 -1.52 -1.30 116.25 118.28 1a9x h VAL 4957Ca -0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1a9x h VAL 4957Cb 0.84 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1a9x h VAL 4957CO 0.03 0.00 0.22 0.58 -1.01 0.00 0.00 177.57 177.39 1a9x h VAL 4958N 0.00 1.11 -0.38 1.51 2.07 -1.79 0.29 116.25 119.06 1a9x h VAL 4958Ca 0.02 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1a9x h VAL 4958Cb 0.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1a9x h VAL 4958CO -0.00 0.11 -0.34 -0.78 0.02 0.00 0.00 177.57 176.58 1a9x h ASP 4959N 0.46 0.92 -0.37 0.57 3.58 -1.49 -1.14 116.42 118.95 1a9x h ASP 4959Ca 0.13 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1a9x h ASP 4959Cb -0.01 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1a9x h ASP 4959CO -0.02 1.16 0.22 0.25 -2.88 0.00 0.00 179.24 177.97 1a9x h LEU 4960N 0.73 0.46 -0.59 2.28 5.85 -1.21 -1.00 115.31 121.83 1a9x h LEU 4960Ca 0.07 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1a9x h LEU 4960Cb 0.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1a9x h LEU 4960CO 0.08 0.36 -0.43 0.00 -0.34 0.00 0.00 178.44 178.12 1a9x h ALA 4961N 1.72 0.76 -0.42 1.25 0.00 -0.02 -2.36 119.26 120.19 1a9x h ALA 4961Ca 0.14 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1a9x h ALA 4961Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1a9x h ALA 4961CO -0.03 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.15 1a9x h ALA 4962N 1.00 0.54 0.32 0.00 0.00 -0.30 -1.18 119.26 119.64 1a9x h ALA 4962Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 4962Cb 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a9x h ALA 4962CO 0.09 -0.03 -0.17 0.87 0.00 0.00 0.00 179.25 180.01 1a9x h LYS 4963N 0.55 -0.44 -0.47 0.00 1.57 -1.11 0.22 116.57 116.89 1a9x h LYS 4963Ca 0.16 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1a9x h LYS 4963Cb -0.04 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1a9x h LYS 4963CO -0.05 -0.29 0.32 -0.07 -0.57 0.00 0.00 179.45 178.79 1a9x h LEU 4964N -0.45 0.35 -0.15 2.94 3.38 -1.27 0.48 115.31 120.59 1a9x h LEU 4964Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1a9x h LEU 4964Cb 0.36 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1a9x h LEU 4964CO 0.06 0.23 -0.84 -0.07 0.09 0.00 0.00 178.44 177.91 1a9x h LEU 4965N 0.40 0.87 -1.37 1.67 3.38 -0.81 0.00 115.31 119.44 1a9x h LEU 4965Ca 0.21 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1a9x h LEU 4965Cb 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a9x h LEU 4965CO -0.05 1.40 0.43 0.50 0.09 0.00 0.00 178.44 180.80 1a9x h LYS 4966N 0.46 0.84 0.00 1.13 3.64 0.17 0.13 116.57 122.94 1a9x h LYS 4966Ca -0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1a9x h LYS 4966Cb 1.47 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1a9x h LYS 4966CO 0.17 0.56 0.00 0.94 -2.27 0.00 0.00 179.45 178.84 1a9x n GLN 4967N -4.44 0.04 0.00 1.90 -0.06 0.15 -4.90 117.38 110.07 1a9x n GLN 4967Ca 0.07 0.10 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1a9x n GLN 4967Cb 0.04 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 24.67 1a9x n GLN 4967CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a9x n GLY 4968N 1.08 0.76 3.84 1.69 0.00 0.44 -4.89 105.19 108.10 1a9x n GLY 4968Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 4968CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 4969N -2.00 3.37 0.09 1.61 0.40 -0.07 -4.56 117.98 116.84 1a9x s PHE 4969Ca 0.00 1.45 0.02 0.00 -0.60 0.00 0.00 56.93 57.81 1a9x s PHE 4969Cb 0.00 -2.83 -0.04 0.00 0.51 0.00 0.00 43.02 40.66 1a9x s PHE 4969CO 0.00 -0.58 0.15 -1.21 0.70 0.00 0.00 175.22 174.28 1a9x s GLU 4970N -4.24 3.12 0.04 0.44 2.02 -0.58 -4.35 118.70 115.16 1a9x s GLU 4970Ca 0.59 -0.63 0.08 0.00 0.02 0.00 0.00 54.97 55.03 1a9x s GLU 4970Cb -0.11 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 1a9x s GLU 4970CO 0.36 0.56 -0.21 -0.51 0.02 0.00 0.00 175.26 175.48 1a9x s LEU 4971N -2.63 2.45 0.09 1.80 1.43 -1.26 -1.16 118.68 119.40 1a9x s LEU 4971Ca 0.32 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1a9x s LEU 4971Cb -0.12 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1a9x s LEU 4971CO 0.25 0.26 -0.23 -1.81 0.23 0.00 0.00 176.35 175.05 1a9x s ASP 4972N -1.33 2.73 0.03 2.29 1.11 -0.31 -0.11 116.67 121.09 1a9x s ASP 4972Ca 0.13 -0.65 -0.16 0.00 0.18 0.00 0.00 52.55 52.05 1a9x s ASP 4972Cb -0.10 -0.18 0.03 0.00 1.07 0.00 0.00 42.92 43.73 1a9x s ASP 4972CO 0.04 0.12 0.36 0.00 1.18 0.00 0.00 175.17 176.87 1a9x s ALA 4973N -1.03 -0.86 0.48 5.23 0.00 -0.63 -0.46 121.76 124.49 1a9x s ALA 4973Ca 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1a9x s ALA 4973Cb -0.10 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1a9x s ALA 4973CO 0.04 -0.41 0.75 0.95 0.00 0.00 0.00 175.76 177.09 1a9x s THR 4974N -2.31 4.29 0.00 0.00 -4.23 -0.96 -2.04 115.64 110.39 1a9x s THR 4974Ca -0.06 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1a9x s THR 4974Cb -0.01 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1a9x s THR 4974CO -0.01 -0.53 0.32 1.57 -0.54 0.00 0.00 174.62 175.42 1a9x n HIS 4975N -2.22 0.00 -0.34 3.99 -0.00 -1.26 0.13 115.22 115.51 1a9x n HIS 4975Ca 0.01 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.17 1a9x n HIS 4975Cb 0.57 -0.14 0.13 0.00 -0.12 0.00 0.00 29.99 30.42 1a9x n HIS 4975CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1a9x h GLY 4976N 0.00 1.34 0.93 1.57 0.00 -1.96 -1.34 103.07 103.61 1a9x h GLY 4976Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1a9x h GLY 4976CO 0.00 0.51 0.08 -0.84 0.00 0.00 0.00 176.54 176.29 1a9x h THR 4977N 1.29 1.23 -0.39 4.70 2.02 -1.25 -2.26 112.91 118.25 1a9x h THR 4977Ca 0.34 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.77 1a9x h THR 4977Cb -0.11 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1a9x h THR 4977CO -0.07 0.28 0.27 0.00 0.37 0.00 0.00 175.52 176.37 1a9x h ALA 4978N 0.93 2.04 0.07 6.16 0.00 0.09 -1.48 119.26 127.07 1a9x h ALA 4978Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a9x h ALA 4978Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a9x h ALA 4978CO 0.00 -0.12 -0.04 0.82 0.00 0.00 0.00 179.25 179.92 1a9x h ILE 4979N 0.26 1.01 -0.36 0.00 1.08 -0.65 -0.01 117.51 118.84 1a9x h ILE 4979Ca 0.18 -0.28 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1a9x h ILE 4979Cb 0.36 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1a9x h ILE 4979CO -0.03 0.07 -0.10 0.58 -0.69 0.00 0.00 178.15 177.98 1a9x h VAL 4980N -0.22 1.24 -0.37 1.67 2.07 -1.25 0.01 116.25 119.40 1a9x h VAL 4980Ca -0.01 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1a9x h VAL 4980Cb 0.19 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1a9x h VAL 4980CO 0.02 0.35 0.03 -0.07 0.02 0.00 0.00 177.57 177.91 1a9x h LEU 4981N 0.56 0.62 -0.77 2.57 3.38 -1.11 -1.63 115.31 118.93 1a9x h LEU 4981Ca 0.10 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1a9x h LEU 4981Cb 0.50 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1a9x h LEU 4981CO 0.03 0.75 0.48 1.23 0.09 0.00 0.00 178.44 181.02 1a9x h GLY 4982N 0.46 1.10 2.00 0.83 0.00 0.57 0.28 103.07 108.31 1a9x h GLY 4982Ca 0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1a9x h GLY 4982CO 0.01 0.43 -0.09 0.83 0.00 0.00 0.00 176.54 177.72 1a9x h GLU 4983N 1.05 0.00 -0.02 4.80 5.08 -0.86 0.15 114.58 124.77 1a9x h GLU 4983Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1a9x h GLU 4983Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1a9x h GLU 4983CO -0.05 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1a9x n ALA 4984N -2.27 2.54 0.00 3.43 0.00 0.69 -4.90 120.51 120.00 1a9x n ALA 4984Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1a9x n ALA 4984Cb 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1a9x n ALA 4984CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 4985N 1.22 0.94 3.10 0.00 0.00 0.04 -5.06 105.19 105.43 1a9x n GLY 4985Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1a9x n GLY 4985CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 4986N -2.00 1.80 -0.46 -0.61 1.01 0.41 -4.98 121.20 116.37 1a9x s ILE 4986Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1a9x s ILE 4986Cb 0.00 -1.63 0.12 0.00 0.01 0.00 0.00 42.46 40.97 1a9x s ILE 4986CO 0.00 0.50 0.26 0.20 0.00 0.00 0.00 174.94 175.90 1a9x s ASN 4987N 1.07 5.24 1.06 3.58 0.02 -1.26 -1.14 114.94 123.51 1a9x s ASN 4987Ca -0.03 -2.23 -0.17 0.00 -1.02 0.00 0.00 52.86 49.41 1a9x s ASN 4987Cb -0.14 -1.83 0.23 0.00 0.02 0.00 0.00 41.25 39.52 1a9x s ASN 4987CO -0.05 -0.50 1.19 -2.16 0.02 0.00 0.00 177.10 175.60 1a9x s PRO 4988N 0.85 -0.13 -0.02 -0.60 0.04 -1.26 -4.98 135.00 128.90 1a9x s PRO 4988Ca 0.10 -0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.76 1a9x s PRO 4988Cb -0.22 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1a9x s PRO 4988CO -0.04 -2.98 0.77 0.50 0.04 0.00 0.00 177.00 175.29 1a9x s ARG 4989N -5.56 4.48 0.22 4.56 3.52 0.85 -4.89 118.95 122.12 1a9x s ARG 4989Ca 0.71 1.04 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 1a9x s ARG 4989Cb -0.08 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 29.80 1a9x s ARG 4989CO 0.54 0.12 0.76 -1.17 -0.81 0.00 0.00 175.30 174.74 1a9x s LEU 4990N 0.53 4.38 0.06 -0.88 2.96 -1.26 -1.60 118.68 122.86 1a9x s LEU 4990Ca 0.40 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 1a9x s LEU 4990Cb -0.19 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1a9x s LEU 4990CO 0.22 0.05 -0.09 0.68 -1.32 0.00 0.00 176.35 175.89 1a9x s VAL 4991N -1.48 0.65 0.14 1.68 -7.23 -0.86 -4.89 120.40 108.41 1a9x s VAL 4991Ca 0.43 -1.24 -0.28 0.00 -1.81 0.00 0.00 61.98 59.08 1a9x s VAL 4991Cb -0.18 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 1a9x s VAL 4991CO 0.22 -0.43 0.87 0.20 -0.31 0.00 0.00 175.10 175.65 1a9x s ASN 4992N -1.82 7.45 1.01 4.85 0.02 -1.26 -4.34 114.94 120.84 1a9x s ASN 4992Ca -0.06 1.72 -0.13 0.00 -1.02 0.00 0.00 52.86 53.38 1a9x s ASN 4992Cb -0.08 -2.55 0.19 0.00 0.02 0.00 0.00 41.25 38.84 1a9x s ASN 4992CO 0.00 0.06 1.10 -0.54 0.02 0.00 0.00 177.10 177.74 1a9x s LYS 4993N -0.53 0.36 0.40 -0.60 1.02 -1.26 -1.83 119.74 117.30 1a9x s LYS 4993Ca 0.41 0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.91 1a9x s LYS 4993Cb -0.23 -1.74 0.81 0.00 -0.52 0.00 0.00 37.83 36.15 1a9x s LYS 4993CO 0.28 -2.76 2.02 0.28 -0.92 0.00 0.00 175.35 174.26 1a9x h VAL 4994N -1.91 1.12 -0.00 3.17 2.07 -1.95 -1.04 116.25 117.71 1a9x h VAL 4994Ca -0.54 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1a9x h VAL 4994Cb 1.33 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1a9x h VAL 4994CO 0.58 0.14 -0.09 0.00 0.02 0.00 0.00 177.57 178.21 1a9x n HIS 4995N -4.43 0.00 0.90 1.57 1.44 -1.26 -3.62 115.22 109.82 1a9x n HIS 4995Ca 0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.85 1a9x n HIS 4995Cb 0.10 -0.17 -0.00 0.00 0.12 0.00 0.00 29.99 30.03 1a9x n HIS 4995CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1a9x n GLU 4996N -0.94 0.06 -0.30 -1.40 1.02 -0.40 -5.07 120.64 113.61 1a9x n GLU 4996Ca 0.15 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1a9x n GLU 4996Cb 0.27 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1a9x n GLU 4996CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a9x n GLY 4997N 1.47 0.73 3.13 0.62 0.00 -1.14 -4.86 105.19 105.15 1a9x n GLY 4997Ca 0.04 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 1a9x n GLY 4997CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9x s ARG 4998N -1.13 0.72 0.60 1.61 0.52 -1.26 -3.53 118.95 116.48 1a9x s ARG 4998Ca 0.00 -0.94 -0.14 0.00 -0.52 0.00 0.00 55.73 54.13 1a9x s ARG 4998Cb 0.00 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 1a9x s ARG 4998CO 0.00 0.11 1.04 -2.14 0.02 0.00 0.00 175.30 174.33 1a9x s PRO 4999N -1.93 3.40 0.09 3.54 0.02 -1.26 -5.06 135.00 133.79 1a9x s PRO 4999Ca -0.03 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.05 1a9x s PRO 4999Cb -0.08 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1a9x s PRO 4999CO 0.01 -0.73 0.02 -2.39 -0.33 0.00 0.00 177.00 173.58 1a9x n HIS 5000N -2.22 -0.23 -0.10 6.54 1.44 -1.23 -4.27 115.22 115.14 1a9x n HIS 5000Ca 0.08 -0.42 -0.11 0.00 -2.01 0.00 0.00 57.72 55.25 1a9x n HIS 5000Cb 0.53 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 1a9x n HIS 5000CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 1a9x h ILE 5001N 0.90 0.09 -0.94 0.61 2.04 -1.65 -0.72 117.51 117.84 1a9x h ILE 5001Ca -0.07 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.96 1a9x h ILE 5001Cb 0.22 0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 1a9x h ILE 5001CO 0.11 0.00 0.54 -0.61 0.00 0.00 0.00 178.15 178.20 1a9x h GLN 5002N -0.38 0.72 -0.45 2.37 -0.00 -1.92 0.28 115.11 115.73 1a9x h GLN 5002Ca 0.11 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.62 1a9x h GLN 5002Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1a9x h GLN 5002CO -0.54 0.47 -0.11 -0.44 0.00 0.00 0.00 178.83 178.21 1a9x h ASP 5003N 0.74 0.88 -0.45 -0.69 3.32 -1.57 -0.55 116.42 118.10 1a9x h ASP 5003Ca 0.52 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1a9x h ASP 5003Cb 0.75 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1a9x h ASP 5003CO -0.36 1.04 0.05 0.03 -1.72 0.00 0.00 179.24 178.28 1a9x h ARG 5004N 0.71 0.76 0.80 3.56 3.08 0.26 -0.31 114.38 123.23 1a9x h ARG 5004Ca 0.11 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1a9x h ARG 5004Cb 0.65 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1a9x h ARG 5004CO 0.04 0.79 -0.38 0.82 -1.07 0.00 0.00 179.97 180.17 1a9x h ILE 5005N 0.61 0.10 -0.76 2.04 2.04 -0.47 0.39 117.51 121.46 1a9x h ILE 5005Ca 0.13 -0.15 0.22 0.00 1.00 0.00 0.00 64.86 66.06 1a9x h ILE 5005Cb 0.42 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1a9x h ILE 5005CO 0.01 0.01 0.61 0.50 0.00 0.00 0.00 178.15 179.28 1a9x h LYS 5006N -1.21 0.00 -0.98 2.37 3.64 -1.08 0.13 116.57 119.45 1a9x h LYS 5006Ca -0.11 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.83 1a9x h LYS 5006Cb 0.83 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.39 1a9x h LYS 5006CO 0.18 0.00 0.56 0.09 -2.27 0.00 0.00 179.45 178.01 1a9x n ASN 5007N -4.09 3.76 -2.68 4.20 5.03 -0.13 -4.91 115.26 116.44 1a9x n ASN 5007Ca 0.16 -3.41 -0.15 0.00 0.87 0.00 0.00 54.58 52.04 1a9x n ASN 5007Cb 0.88 -0.80 -0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1a9x n ASN 5007CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a9x n GLY 5008N -0.90 -0.50 0.20 7.41 0.00 0.47 -4.87 105.19 107.00 1a9x n GLY 5008Ca 0.52 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.70 1a9x n GLY 5008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a9x h GLU 5009N -0.30 0.00 -6.63 1.61 5.08 -0.37 -3.46 114.58 110.51 1a9x h GLU 5009Ca -0.33 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.36 1a9x h GLU 5009Cb 1.24 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.32 1a9x h GLU 5009CO 0.40 0.00 -0.78 0.71 -1.00 0.00 0.00 179.01 178.34 1a9x s TYR 5010N -3.30 2.57 -0.31 4.33 2.02 -1.26 -4.38 117.35 117.02 1a9x s TYR 5010Ca 0.06 -0.25 0.10 0.00 -0.37 0.00 0.00 57.07 56.61 1a9x s TYR 5010Cb 0.08 -1.33 -0.12 0.00 -0.40 0.00 0.00 41.96 40.19 1a9x s TYR 5010CO 0.59 0.43 0.35 0.25 -1.57 0.00 0.00 175.55 175.60 1a9x n THR 5011N 0.57 0.00 -3.71 -0.71 -2.24 -0.69 -4.90 114.28 102.60 1a9x n THR 5011Ca -0.14 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1a9x n THR 5011Cb 0.53 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1a9x n THR 5011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1a9x s TYR 5012N -2.16 -0.56 -0.06 4.78 5.04 -1.22 -3.80 117.35 119.37 1a9x s TYR 5012Ca 0.01 1.30 0.02 0.00 -2.44 0.00 0.00 57.07 55.97 1a9x s TYR 5012Cb 0.07 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1a9x s TYR 5012CO 0.40 -0.28 -0.10 0.42 -1.34 0.00 0.00 175.55 174.64 1a9x s ILE 5013N 0.59 0.98 -0.27 3.14 1.01 -0.82 -1.35 121.20 124.48 1a9x s ILE 5013Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1a9x s ILE 5013Cb -0.05 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.56 1a9x s ILE 5013CO -0.04 0.32 -0.05 -0.51 0.00 0.00 0.00 174.94 174.67 1a9x s ILE 5014N 0.66 2.77 -0.27 2.92 1.10 -0.03 -1.27 121.20 127.09 1a9x s ILE 5014Ca -0.13 -1.31 -0.03 0.00 -0.51 0.00 0.00 60.65 58.67 1a9x s ILE 5014Cb -0.15 -2.53 0.09 0.00 0.15 0.00 0.00 42.46 40.02 1a9x s ILE 5014CO 0.03 0.02 0.11 0.21 -2.11 0.00 0.00 174.94 173.20 1a9x s ASN 5015N 1.25 3.44 0.06 4.50 3.04 -0.84 -1.25 114.94 125.15 1a9x s ASN 5015Ca -0.04 -1.24 0.03 0.00 0.04 0.00 0.00 52.86 51.66 1a9x s ASN 5015Cb -0.19 -0.48 -0.04 0.00 -1.54 0.00 0.00 41.25 39.00 1a9x s ASN 5015CO -0.03 -0.41 0.02 0.42 -3.04 0.00 0.00 177.10 174.06 1a9x s THR 5016N 1.97 4.18 -0.02 -5.21 -4.23 -0.92 -4.33 115.64 107.07 1a9x s THR 5016Ca 0.07 -0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.58 1a9x s THR 5016Cb -0.16 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.74 1a9x s THR 5016CO -0.28 0.19 0.36 -0.89 -0.54 0.00 0.00 174.62 173.46 1a9x s THR 5017N -1.27 0.05 -0.10 3.99 2.01 -1.26 -2.20 115.64 116.86 1a9x s THR 5017Ca 0.25 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1a9x s THR 5017Cb -0.12 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1a9x s THR 5017CO 0.17 -0.22 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.23 1a9x s SER 5018N -1.28 2.05 0.00 3.53 0.15 -1.26 -4.97 113.70 111.92 1a9x s SER 5018Ca -0.13 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1a9x s SER 5018Cb -0.05 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1a9x s SER 5018CO 0.05 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1a9x n GLY 5019N 4.43 2.65 0.28 9.45 0.00 -1.26 -4.49 105.19 116.25 1a9x n GLY 5019Ca -0.17 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1a9x n GLY 5019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a9x h ARG 5020N 0.00 -0.18 0.53 1.61 9.65 -1.98 0.71 114.38 124.73 1a9x h ARG 5020Ca 0.00 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1a9x h ARG 5020Cb 0.00 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1a9x h ARG 5020CO 0.00 -0.12 -0.26 -0.09 2.80 0.00 0.00 179.97 182.31 1a9x h ARG 5021N -0.19 -0.69 -0.61 0.20 1.12 -1.97 0.36 114.38 112.60 1a9x h ARG 5021Ca 0.18 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.09 1a9x h ARG 5021Cb 0.48 0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.56 1a9x h ARG 5021CO -0.49 -0.41 0.34 0.00 -3.11 0.00 0.00 179.97 176.30 1a9x h ALA 5022N -0.42 1.45 0.50 2.80 0.00 -1.73 -0.96 119.26 120.90 1a9x h ALA 5022Ca -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1a9x h ALA 5022Cb 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a9x h ALA 5022CO 0.12 0.46 -0.24 0.82 0.00 0.00 0.00 179.25 180.41 1a9x h ILE 5023N 0.84 0.50 -0.05 0.00 2.04 0.59 -2.31 117.51 119.12 1a9x h ILE 5023Ca 0.22 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1a9x h ILE 5023Cb 0.01 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1a9x h ILE 5023CO -0.04 0.02 0.12 -0.33 0.00 0.00 0.00 178.15 177.92 1a9x h GLU 5024N -0.73 0.00 0.12 2.37 5.08 0.27 -2.19 114.58 119.50 1a9x h GLU 5024Ca -0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1a9x h GLU 5024Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1a9x h GLU 5024CO 0.11 0.00 -1.64 -0.44 -1.00 0.00 0.00 179.01 176.04 1a9x h ASP 5025N 0.00 0.40 0.29 1.42 3.32 -0.93 -3.35 116.42 117.57 1a9x h ASP 5025Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1a9x h ASP 5025Cb 0.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a9x h ASP 5025CO -0.00 1.52 -0.12 -1.54 -1.72 0.00 0.00 179.24 177.38 1a9x n SER 5026N -3.45 0.65 -0.18 6.45 3.41 -0.89 -4.29 113.62 115.32 1a9x n SER 5026Ca -0.20 -0.74 0.30 0.00 -0.26 0.00 0.00 58.87 57.98 1a9x n SER 5026Cb 1.05 -0.02 0.66 0.00 -0.26 0.00 0.00 64.21 65.64 1a9x n SER 5026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a9x h ARG 5027N 0.82 0.00 0.00 4.33 2.43 -1.55 0.18 114.38 120.59 1a9x h ARG 5027Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1a9x h ARG 5027Cb 0.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1a9x h ARG 5027CO 0.00 0.00 -0.43 -0.24 -1.51 0.00 0.00 179.97 177.79 1a9x h VAL 5028N 0.00 1.06 -0.17 0.20 3.04 -1.88 -1.02 116.25 117.48 1a9x h VAL 5028Ca 0.45 -1.61 -0.14 0.00 -1.01 0.00 0.00 66.70 64.39 1a9x h VAL 5028Cb 2.22 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 33.43 1a9x h VAL 5028CO -0.00 0.42 -0.43 0.40 -1.01 0.00 0.00 177.57 176.94 1a9x h ILE 5029N 0.00 1.34 -0.39 3.17 2.04 -0.98 -0.35 117.51 122.33 1a9x h ILE 5029Ca -0.00 -1.69 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 1a9x h ILE 5029Cb 0.90 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1a9x h ILE 5029CO 0.06 0.52 -0.23 0.03 0.00 0.00 0.00 178.15 178.53 1a9x h ARG 5030N 0.25 0.85 -0.30 2.37 3.08 -1.56 0.39 114.38 119.46 1a9x h ARG 5030Ca -0.01 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1a9x h ARG 5030Cb 1.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1a9x h ARG 5030CO 0.09 1.03 -0.05 0.00 -1.07 0.00 0.00 179.97 179.97 1a9x h ARG 5031N 0.66 0.56 -0.16 0.04 3.08 -1.24 -2.06 114.38 115.26 1a9x h ARG 5031Ca 0.08 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1a9x h ARG 5031Cb 0.79 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1a9x h ARG 5031CO 0.06 0.74 0.05 0.77 -1.07 0.00 0.00 179.97 180.53 1a9x h SER 5032N 0.34 0.06 -0.29 7.04 0.02 -0.94 -1.07 113.55 118.71 1a9x h SER 5032Ca 0.08 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1a9x h SER 5032Cb 0.52 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 1a9x h SER 5032CO 0.03 0.06 -0.01 0.00 -1.14 0.00 0.00 176.83 175.77 1a9x h ALA 5033N 1.10 0.25 -0.26 3.77 0.00 -0.82 -0.74 119.26 122.56 1a9x h ALA 5033Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a9x h ALA 5033Cb 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a9x h ALA 5033CO -0.07 -0.42 0.12 1.25 0.00 0.00 0.00 179.25 180.14 1a9x h LEU 5034N 0.08 0.35 -1.24 0.00 5.85 -1.14 -0.76 115.31 118.44 1a9x h LEU 5034Ca 0.14 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1a9x h LEU 5034Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1a9x h LEU 5034CO -0.24 0.38 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.53 1a9x h GLN 5035N 0.29 0.41 -0.37 1.25 4.15 -0.96 -2.30 115.11 117.59 1a9x h GLN 5035Ca 0.09 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1a9x h GLN 5035Cb 0.13 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1a9x h GLN 5035CO -0.01 0.51 0.00 0.66 -1.93 0.00 0.00 178.83 178.06 1a9x n TYR 5036N -4.25 0.49 -3.22 3.99 4.01 -0.31 -4.95 117.16 112.93 1a9x n TYR 5036Ca 0.00 -0.25 -0.23 0.00 -0.16 0.00 0.00 57.90 57.27 1a9x n TYR 5036Cb 0.28 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 1a9x n TYR 5036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1a9x n LYS 5037N 0.74 -5.67 -3.62 -0.72 4.76 -0.41 -4.98 118.16 108.25 1a9x n LYS 5037Ca 0.16 0.86 -0.36 0.00 -2.87 0.00 0.00 58.31 56.09 1a9x n LYS 5037Cb 0.38 -5.77 -0.07 0.00 -1.84 0.00 0.00 35.03 27.73 1a9x n LYS 5037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a9x s VAL 5038N -3.21 5.35 0.38 -0.18 1.01 -0.50 -4.81 120.40 118.44 1a9x s VAL 5038Ca 0.40 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.52 1a9x s VAL 5038Cb -0.18 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1a9x s VAL 5038CO 0.49 0.42 1.27 -2.28 0.00 0.00 0.00 175.10 175.00 1a9x s HIS 5039N 0.35 2.97 -0.00 5.22 2.46 -1.25 -4.60 115.29 120.45 1a9x s HIS 5039Ca 0.13 1.45 -0.04 0.00 0.47 0.00 0.00 55.06 57.07 1a9x s HIS 5039Cb -0.12 -3.61 -0.00 0.00 -0.13 0.00 0.00 32.58 28.72 1a9x s HIS 5039CO 0.02 -1.82 0.08 1.52 -2.47 0.00 0.00 174.74 172.08 1a9x s TYR 5040N -1.24 0.07 -0.07 3.88 1.13 -1.26 -1.94 117.35 117.92 1a9x s TYR 5040Ca 0.54 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 56.07 1a9x s TYR 5040Cb -0.37 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 1a9x s TYR 5040CO 0.48 -0.21 -0.14 -0.51 -2.51 0.00 0.00 175.55 172.67 1a9x s ASP 5041N -1.09 4.06 0.00 -0.18 1.01 -0.39 -4.98 116.67 115.10 1a9x s ASP 5041Ca -0.12 -0.21 0.16 0.00 0.71 0.00 0.00 52.55 53.10 1a9x s ASP 5041Cb -0.07 -1.02 0.47 0.00 1.01 0.00 0.00 42.92 43.31 1a9x s ASP 5041CO 0.01 0.31 1.39 0.35 0.21 0.00 0.00 175.17 177.44 1a9x n THR 5042N 2.55 0.99 -4.06 -1.27 -2.24 -1.26 -1.98 114.28 107.02 1a9x n THR 5042Ca -0.17 -1.00 -0.10 0.00 -2.27 0.00 0.00 64.05 60.51 1a9x n THR 5042Cb 0.52 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1a9x n THR 5042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a9x s THR 5043N -1.00 0.36 0.06 4.28 -4.23 -1.26 -4.50 115.64 109.35 1a9x s THR 5043Ca 0.36 -1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1a9x s THR 5043Cb 0.19 -0.81 -0.28 0.00 1.34 0.00 0.00 72.50 72.94 1a9x s THR 5043CO 0.24 -0.60 1.13 0.25 -0.54 0.00 0.00 174.62 175.10 1a9x h LEU 5044N 4.09 0.87 -0.63 4.79 5.85 -1.96 -1.78 115.31 126.54 1a9x h LEU 5044Ca -0.34 -0.78 0.03 0.00 0.84 0.00 0.00 57.88 57.63 1a9x h LEU 5044Cb 1.19 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1a9x h LEU 5044CO 0.49 1.58 0.39 0.78 -0.34 0.00 0.00 178.44 181.34 1a9x h ASN 5045N 0.30 0.63 -0.95 1.25 4.21 -1.97 -0.13 115.58 118.93 1a9x h ASN 5045Ca -0.17 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.36 1a9x h ASN 5045Cb 1.87 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 38.88 1a9x h ASN 5045CO 0.23 0.44 0.62 1.23 -1.29 0.00 0.00 177.43 178.66 1a9x h GLY 5046N 0.76 1.35 1.01 2.83 0.00 -1.80 -1.37 103.07 105.85 1a9x h GLY 5046Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1a9x h GLY 5046CO -0.11 0.45 0.37 -1.33 0.00 0.00 0.00 176.54 175.93 1a9x h GLY 5047N 1.25 1.09 1.49 4.60 0.00 -0.24 -1.44 103.07 109.82 1a9x h GLY 5047Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1a9x h GLY 5047CO -0.09 0.49 -0.22 0.74 0.00 0.00 0.00 176.54 177.46 1a9x h PHE 5048N 1.00 0.67 -0.49 5.60 0.04 -0.81 -0.55 116.94 122.40 1a9x h PHE 5048Ca 0.25 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1a9x h PHE 5048Cb 0.07 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1a9x h PHE 5048CO 0.00 0.77 0.19 0.00 -0.60 0.00 0.00 178.31 178.67 1a9x h ALA 5049N 1.23 0.64 -0.65 2.45 0.00 -0.59 -0.78 119.26 121.56 1a9x h ALA 5049Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1a9x h ALA 5049Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1a9x h ALA 5049CO 0.05 0.26 0.10 1.15 0.00 0.00 0.00 179.25 180.80 1a9x h THR 5050N 0.66 1.26 -0.30 0.00 2.02 -1.16 -2.11 112.91 113.28 1a9x h THR 5050Ca 0.16 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1a9x h THR 5050Cb 0.21 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1a9x h THR 5050CO -0.01 0.39 0.09 0.00 0.37 0.00 0.00 175.52 176.36 1a9x h ALA 5051N 1.04 0.39 -0.54 6.16 0.00 -0.64 -2.89 119.26 122.77 1a9x h ALA 5051Ca 0.20 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1a9x h ALA 5051Cb 0.45 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1a9x h ALA 5051CO 0.01 0.03 -0.03 0.52 0.00 0.00 0.00 179.25 179.79 1a9x h MET 5052N 0.32 0.09 0.00 0.00 2.86 -0.94 -0.96 114.93 116.31 1a9x h MET 5052Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1a9x h MET 5052Cb 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1a9x h MET 5052CO -0.00 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.03 1a9x n ALA 5053N -2.76 1.25 0.33 6.32 0.00 -0.81 -1.29 120.51 123.55 1a9x n ALA 5053Ca 0.07 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1a9x n ALA 5053Cb 0.30 -1.32 0.60 0.00 0.00 0.00 0.00 19.45 19.03 1a9x n ALA 5053CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a9x h LEU 5054N 0.00 0.00 -1.86 0.00 3.38 -0.97 -1.37 115.31 114.49 1a9x h LEU 5054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9x h LEU 5054Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1a9x h LEU 5054CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1a9x n ASN 5055N -2.48 2.75 -4.50 -0.43 5.03 -0.41 -4.93 115.26 110.29 1a9x n ASN 5055Ca 0.01 -1.92 -0.24 0.00 0.87 0.00 0.00 54.58 53.30 1a9x n ASN 5055Cb 0.20 -0.25 -0.10 0.00 -1.02 0.00 0.00 39.78 38.61 1a9x n ASN 5055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a9x s ALA 5056N -1.50 2.72 -0.30 5.41 0.00 -0.52 -5.02 121.76 122.56 1a9x s ALA 5056Ca 0.36 -2.03 0.03 0.00 0.00 0.00 0.00 51.96 50.32 1a9x s ALA 5056Cb 0.20 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.47 1a9x s ALA 5056CO 0.28 0.00 -0.02 0.34 0.00 0.00 0.00 175.76 176.35 1a9x s ASP 5057N -3.55 4.54 0.57 0.00 -1.08 -1.26 -4.99 116.67 110.90 1a9x s ASP 5057Ca 0.32 -1.75 0.32 0.00 -0.52 0.00 0.00 52.55 50.92 1a9x s ASP 5057Cb 0.03 -1.54 1.74 0.00 -1.46 0.00 0.00 42.92 41.70 1a9x s ASP 5057CO 0.15 -0.29 2.17 0.00 0.52 0.00 0.00 175.17 177.72 1a9x h ALA 5058N 7.72 1.24 -0.46 3.66 0.00 -1.88 -1.66 119.26 127.87 1a9x h ALA 5058Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a9x h ALA 5058Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a9x h ALA 5058CO 0.49 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1a9x n THR 5059N -3.50 0.60 -0.04 0.00 -2.24 -1.26 -4.52 114.28 103.32 1a9x n THR 5059Ca -0.02 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1a9x n THR 5059Cb 0.18 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.08 1a9x n THR 5059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a9x h GLU 5060N 4.11 0.26 -3.77 -0.78 4.81 -1.70 -3.46 114.58 114.04 1a9x h GLU 5060Ca 0.00 -0.13 -0.27 0.00 -0.13 0.00 0.00 59.36 58.82 1a9x h GLU 5060Cb 0.92 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.00 1a9x h GLU 5060CO 0.00 0.66 -0.73 0.21 -0.73 0.00 0.00 179.01 178.42 1a9x s LYS 5061N -4.32 0.09 0.10 1.92 2.20 -1.26 -5.13 119.74 113.34 1a9x s LYS 5061Ca -0.15 0.02 0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1a9x s LYS 5061Cb 0.04 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1a9x s LYS 5061CO 0.73 -0.04 -0.13 0.14 -0.36 0.00 0.00 175.35 175.70 1a9x s VAL 5062N 0.34 3.19 0.03 4.02 -7.23 -1.26 -5.04 120.40 114.45 1a9x s VAL 5062Ca -0.03 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1a9x s VAL 5062Cb -0.05 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1a9x s VAL 5062CO -0.01 0.13 -0.04 -0.51 -0.31 0.00 0.00 175.10 174.36 1a9x s ILE 5063N -1.17 0.24 0.21 -0.62 2.07 -1.26 -5.10 121.20 115.57 1a9x s ILE 5063Ca 0.20 -1.14 0.04 0.00 -1.41 0.00 0.00 60.65 58.34 1a9x s ILE 5063Cb -0.11 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1a9x s ILE 5063CO 0.12 -0.58 0.30 -0.94 -1.91 0.00 0.00 174.94 171.93 1a9x s SER 5064N -1.81 6.18 0.29 4.50 1.04 -1.26 -4.56 113.70 118.09 1a9x s SER 5064Ca -0.10 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 1a9x s SER 5064Cb -0.06 -1.80 0.44 0.00 0.10 0.00 0.00 66.02 64.71 1a9x s SER 5064CO -0.02 -0.02 1.95 0.58 0.98 0.00 0.00 173.24 176.71 1a9x h VAL 5065N 1.42 1.18 -0.34 5.02 2.07 -0.93 0.21 116.25 124.88 1a9x h VAL 5065Ca -0.50 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1a9x h VAL 5065Cb 1.22 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1a9x h VAL 5065CO 0.64 0.21 0.19 1.56 0.02 0.00 0.00 177.57 180.18 1a9x h GLN 5066N 1.13 0.38 -0.47 1.57 7.50 -1.91 0.56 115.11 123.86 1a9x h GLN 5066Ca 0.33 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.36 1a9x h GLN 5066Cb -0.05 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 1a9x h GLN 5066CO -0.09 0.25 -0.09 0.93 -1.50 0.00 0.00 178.83 178.33 1a9x h GLU 5067N 0.39 0.89 0.32 1.46 5.08 -1.75 -1.33 114.58 119.63 1a9x h GLU 5067Ca 0.13 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1a9x h GLU 5067Cb 0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1a9x h GLU 5067CO -0.07 0.97 -0.42 0.52 -1.00 0.00 0.00 179.01 179.01 1a9x h MET 5068N 0.73 -0.76 -0.86 2.33 2.86 -0.05 -1.87 114.93 117.31 1a9x h MET 5068Ca 0.12 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1a9x h MET 5068Cb 0.63 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 1a9x h MET 5068CO 0.04 -0.51 0.56 0.45 1.06 0.00 0.00 176.91 178.51 1a9x h HIS 5069N -0.79 1.00 0.00 -0.22 3.86 0.20 -0.47 115.15 118.72 1a9x h HIS 5069Ca -0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1a9x h HIS 5069Cb 0.74 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1a9x h HIS 5069CO -0.28 0.54 -0.08 0.00 0.86 0.00 0.00 177.93 178.98 1a9x h ALA 5070N 1.52 1.11 0.00 2.45 0.00 -0.90 -0.47 119.26 122.97 1a9x h ALA 5070Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1a9x h ALA 5070Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1a9x h ALA 5070CO -0.12 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1a9x n GLN 5071N -3.34 0.09 -2.55 0.00 6.02 -0.19 -4.72 117.38 112.70 1a9x n GLN 5071Ca -0.01 0.19 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1a9x n GLN 5071Cb 0.25 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1a9x n GLN 5071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a9x s ILE 5072N -3.08 4.47 -2.23 5.09 1.01 -0.19 -4.89 121.20 121.39 1a9x s ILE 5072Ca 0.10 1.77 0.30 0.00 0.00 0.00 0.00 60.65 62.82 1a9x s ILE 5072Cb 0.13 -4.18 0.74 0.00 0.01 0.00 0.00 42.46 39.16 1a9x s ILE 5072CO 0.45 -0.20 2.01 0.29 0.00 0.00 0.00 174.94 177.48