#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s LYS 4002N 0.00 4.07 0.05 0.03 1.02 -1.26 -1.69 119.74 121.96 2hyb s LYS 4002Ca 0.00 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.26 2hyb s LYS 4002Cb 0.00 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 2hyb s LYS 4002CO 0.00 -0.30 0.13 -0.06 -0.92 0.00 0.00 175.35 174.20 2hyb s PHE 4003N 2.14 3.34 -0.19 3.18 0.08 0.18 0.16 117.98 126.87 2hyb s PHE 4003Ca 0.20 0.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 2hyb s PHE 4003Cb -0.16 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2hyb s PHE 4003CO 0.09 0.56 -0.03 0.00 -0.10 0.00 0.00 175.22 175.74 2hyb s ALA 4004N -1.38 1.51 -0.17 5.36 0.00 -0.17 0.02 121.76 126.93 2hyb s ALA 4004Ca 0.29 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2hyb s ALA 4004Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2hyb s ALA 4004CO 0.22 -0.99 0.12 -0.51 0.00 0.00 0.00 175.76 174.60 2hyb s LEU 4005N 1.62 4.22 -0.15 0.00 1.43 -0.67 -1.01 118.68 124.12 2hyb s LEU 4005Ca -0.02 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2hyb s LEU 4005Cb -0.17 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2hyb s LEU 4005CO -0.07 0.26 -0.21 -1.58 0.23 0.00 0.00 176.35 174.98 2hyb s GLN 4006N -0.14 3.02 -0.24 1.70 0.74 -0.69 -0.95 119.66 123.11 2hyb s GLN 4006Ca 0.10 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.69 2hyb s GLN 4006Cb -0.11 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 31.57 2hyb s GLN 4006CO 0.00 -0.06 -0.14 0.42 -0.55 0.00 0.00 175.29 174.97 2hyb s ILE 4007N 0.92 2.16 -2.37 -2.34 1.01 -0.56 -0.31 121.20 119.72 2hyb s ILE 4007Ca -0.04 -1.41 0.22 0.00 0.00 0.00 0.00 60.65 59.42 2hyb s ILE 4007Cb -0.15 -2.16 0.45 0.00 0.01 0.00 0.00 42.46 40.62 2hyb s ILE 4007CO -0.04 0.15 1.44 0.59 0.00 0.00 0.00 174.94 177.08 2hyb n ASN 4008N 4.50 3.12 -4.22 3.58 3.02 -0.79 -2.05 115.26 122.41 2hyb n ASN 4008Ca -0.16 -1.95 -0.15 0.00 -0.03 0.00 0.00 54.58 52.30 2hyb n ASN 4008Cb 0.45 -0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 2hyb n ASN 4008CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2hyb s GLU 4009N -1.49 0.98 0.81 3.52 0.41 -1.26 -3.25 118.70 118.42 2hyb s GLU 4009Ca 0.38 -1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 53.49 2hyb s GLU 4009Cb 0.22 -0.61 0.08 0.00 -1.78 0.00 0.00 34.13 32.04 2hyb s GLU 4009CO 0.30 0.08 1.12 0.20 -0.49 0.00 0.00 175.26 176.47 2hyb s GLY 4010N -2.86 1.61 0.46 -1.39 0.00 -1.14 -3.71 107.32 100.28 2hyb s GLY 4010Ca 0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 2hyb s GLY 4010CO 0.00 0.10 1.30 2.56 0.00 0.00 0.00 173.10 177.07 2hyb s PRO 4011N -5.27 3.68 0.00 2.90 0.04 -1.26 -3.64 135.00 131.45 2hyb s PRO 4011Ca 0.61 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2hyb s PRO 4011Cb -0.14 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2hyb s PRO 4011CO 0.53 -0.72 0.00 0.66 0.04 0.00 0.00 177.00 177.51 2hyb n TYR 4012N -0.33 0.00 -0.30 0.56 4.02 -1.26 -4.58 117.16 115.27 2hyb n TYR 4012Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 2hyb n TYR 4012Cb 0.45 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.05 2hyb n TYR 4012CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hyb h GLN 4013N 0.00 0.44 -4.87 -0.72 5.75 -1.99 -3.41 115.11 110.31 2hyb h GLN 4013Ca 0.00 -0.03 -0.41 0.00 -0.15 0.00 0.00 58.65 58.07 2hyb h GLN 4013Cb 0.00 -0.10 -0.28 0.00 1.07 0.00 0.00 27.48 28.17 2hyb h GLN 4013CO 0.00 0.29 -0.78 -1.01 -2.65 0.00 0.00 178.83 174.68 2hyb s HIS 4014N -5.90 0.92 0.54 3.99 3.76 -1.24 -5.04 115.29 112.32 2hyb s HIS 4014Ca -0.12 -0.20 0.37 0.00 -0.15 0.00 0.00 55.06 54.96 2hyb s HIS 4014Cb 0.24 -0.58 2.02 0.00 1.11 0.00 0.00 32.58 35.37 2hyb s HIS 4014CO 0.78 -0.01 2.26 0.37 -0.85 0.00 0.00 174.74 177.28 2hyb h GLN 4015N 5.72 0.00 -0.59 1.40 4.15 -1.90 -3.31 115.11 120.58 2hyb h GLN 4015Ca -0.32 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.15 2hyb h GLN 4015Cb 1.18 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 2hyb h GLN 4015CO 0.48 0.02 -0.35 0.00 -1.93 0.00 0.00 178.83 177.05 2hyb n ALA 4016N -2.17 -0.38 -0.22 3.38 0.00 -1.26 -0.30 120.51 119.56 2hyb n ALA 4016Ca -0.02 0.50 0.03 0.00 0.00 0.00 0.00 53.44 53.95 2hyb n ALA 4016Cb 0.13 -0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.71 2hyb n ALA 4016CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hyb h SER 4017N 0.00 -0.02 -0.60 0.00 0.87 -1.81 0.11 113.55 112.10 2hyb h SER 4017Ca 0.10 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2hyb h SER 4017Cb 0.24 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2hyb h SER 4017CO -0.56 -0.02 0.19 0.44 -0.53 0.00 0.00 176.83 176.35 2hyb h ASP 4018N 0.25 0.90 -0.06 6.23 3.32 -0.89 -1.61 116.42 124.56 2hyb h ASP 4018Ca 0.36 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2hyb h ASP 4018Cb 0.58 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2hyb h ASP 4018CO -0.46 0.85 -0.01 0.28 -1.72 0.00 0.00 179.24 178.18 2hyb h SER 4019N 0.94 0.12 -0.34 6.45 0.02 0.31 -2.11 113.55 118.93 2hyb h SER 4019Ca 0.21 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2hyb h SER 4019Cb 0.28 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2hyb h SER 4019CO -0.01 0.44 0.23 0.00 -1.14 0.00 0.00 176.83 176.35 2hyb h ALA 4020N 0.68 1.78 0.13 3.77 0.00 -0.72 0.91 119.26 125.82 2hyb h ALA 4020Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hyb h ALA 4020Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hyb h ALA 4020CO 0.01 0.20 -0.06 -0.92 0.00 0.00 0.00 179.25 178.47 2hyb h TYR 4021N 0.44 -0.16 -0.96 0.00 3.20 -1.19 -0.79 116.97 117.51 2hyb h TYR 4021Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2hyb h TYR 4021Cb -0.02 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2hyb h TYR 4021CO -0.00 0.25 0.63 1.96 -1.64 0.00 0.00 178.16 179.36 2hyb h GLN 4022N -0.64 1.12 0.37 1.82 1.08 -0.94 0.11 115.11 118.03 2hyb h GLN 4022Ca -0.02 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2hyb h GLN 4022Cb 0.49 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2hyb h GLN 4022CO 0.03 0.74 -0.18 0.35 -0.95 0.00 0.00 178.83 178.82 2hyb h PHE 4023N 1.15 -0.46 -0.68 2.96 3.57 -0.78 -1.58 116.94 121.12 2hyb h PHE 4023Ca 0.40 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.99 2hyb h PHE 4023Cb 0.12 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2hyb h PHE 4023CO -0.00 -0.25 0.32 0.00 -2.23 0.00 0.00 178.31 176.14 2hyb h ALA 4024N 0.09 0.93 -0.38 2.41 0.00 -0.25 -1.52 119.26 120.54 2hyb h ALA 4024Ca -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2hyb h ALA 4024Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2hyb h ALA 4024CO 0.08 -0.10 0.10 -0.22 0.00 0.00 0.00 179.25 179.12 2hyb h LYS 4025N 0.54 0.60 -0.65 0.00 3.64 -0.63 0.32 116.57 120.39 2hyb h LYS 4025Ca 0.34 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2hyb h LYS 4025Cb 0.39 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2hyb h LYS 4025CO -0.28 0.62 0.28 0.00 -2.27 0.00 0.00 179.45 177.80 2hyb h ALA 4026N 0.95 1.27 -0.06 5.00 0.00 -0.86 -1.66 119.26 123.90 2hyb h ALA 4026Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2hyb h ALA 4026Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hyb h ALA 4026CO -0.00 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.66 2hyb h ALA 4027N 1.38 0.09 -0.68 0.00 0.00 -1.09 -2.58 119.26 116.39 2hyb h ALA 4027Ca 0.22 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2hyb h ALA 4027Cb 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2hyb h ALA 4027CO -0.02 -0.00 0.37 -0.07 0.00 0.00 0.00 179.25 179.52 2hyb h LEU 4028N -0.32 0.53 -1.22 0.00 3.38 -0.84 -0.09 115.31 116.75 2hyb h LEU 4028Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2hyb h LEU 4028Cb 0.74 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2hyb h LEU 4028CO 0.03 0.33 0.00 -0.33 0.09 0.00 0.00 178.44 178.56 2hyb h GLU 4029N 0.66 0.00 0.00 1.13 5.08 -1.30 -2.21 114.58 117.94 2hyb h GLU 4029Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2hyb h GLU 4029Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hyb h GLU 4029CO -0.21 0.00 -0.50 1.63 -1.00 0.00 0.00 179.01 178.93 2hyb n LYS 4030N -2.52 0.01 0.00 2.33 5.02 -0.09 -4.93 118.16 117.98 2hyb n LYS 4030Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2hyb n LYS 4030Cb 0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2hyb n LYS 4030CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hyb n GLY 4031N 1.49 0.55 3.81 0.72 0.00 -0.83 -5.09 105.19 105.85 2hyb n GLY 4031Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2hyb n GLY 4031CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hyb s HIS 4032N -2.00 2.96 -0.08 1.61 3.76 -0.93 -4.80 115.29 115.80 2hyb s HIS 4032Ca 0.00 1.26 0.01 0.00 -0.15 0.00 0.00 55.06 56.18 2hyb s HIS 4032Cb 0.00 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.64 2hyb s HIS 4032CO 0.00 -1.54 -0.10 -2.00 -0.85 0.00 0.00 174.74 170.25 2hyb s GLU 4033N -5.12 2.89 -0.46 1.40 2.12 -0.68 -4.34 118.70 114.51 2hyb s GLU 4033Ca 0.60 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 55.22 2hyb s GLU 4033Cb -0.14 -2.56 0.11 0.00 0.26 0.00 0.00 34.13 31.80 2hyb s GLU 4033CO 0.54 0.52 0.31 0.42 -0.54 0.00 0.00 175.26 176.52 2hyb s ILE 4034N -0.43 4.08 0.18 -3.70 1.01 -1.26 0.48 121.20 121.56 2hyb s ILE 4034Ca 0.06 -1.78 -0.13 0.00 0.00 0.00 0.00 60.65 58.80 2hyb s ILE 4034Cb -0.12 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.75 2hyb s ILE 4034CO 0.02 -0.73 1.79 0.15 0.00 0.00 0.00 174.94 176.17 2hyb h PHE 4035N 8.39 0.51 -1.85 3.97 3.57 -0.74 -3.43 116.94 127.37 2hyb h PHE 4035Ca -0.20 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2hyb h PHE 4035Cb 1.07 -0.15 -0.23 0.00 2.79 0.00 0.00 35.95 39.43 2hyb h PHE 4035CO 0.62 0.26 0.26 0.50 -2.23 0.00 0.00 178.31 177.72 2hyb s ARG 4036N -6.13 0.71 -0.34 1.11 3.52 -1.19 -4.48 118.95 112.16 2hyb s ARG 4036Ca -0.13 0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 56.23 2hyb s ARG 4036Cb 0.14 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 2hyb s ARG 4036CO 0.74 -0.09 0.13 0.08 -0.81 0.00 0.00 175.30 175.35 2hyb s VAL 4037N 0.30 4.12 -0.09 7.11 1.01 -0.61 -1.67 120.40 130.57 2hyb s VAL 4037Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2hyb s VAL 4037Cb -0.05 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2hyb s VAL 4037CO -0.02 -0.11 -0.06 0.12 0.00 0.00 0.00 175.10 175.03 2hyb s PHE 4038N 1.49 2.98 -0.25 5.22 2.19 -0.13 -0.57 117.98 128.90 2hyb s PHE 4038Ca 0.01 -0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.16 2hyb s PHE 4038Cb -0.19 -1.79 0.01 0.00 -1.31 0.00 0.00 43.02 39.75 2hyb s PHE 4038CO 0.04 0.23 -0.02 -0.06 1.83 0.00 0.00 175.22 177.24 2hyb s PHE 4039N -0.46 3.06 0.28 10.12 0.40 0.83 -1.49 117.98 130.72 2hyb s PHE 4039Ca 0.07 -1.24 0.09 0.00 -0.60 0.00 0.00 56.93 55.24 2hyb s PHE 4039Cb -0.12 -2.13 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 2hyb s PHE 4039CO 0.02 -0.64 -0.11 -0.47 0.70 0.00 0.00 175.22 174.72 2hyb s TYR 4040N 1.41 2.08 0.00 0.36 5.04 -0.87 -2.39 117.35 122.98 2hyb s TYR 4040Ca 0.02 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2hyb s TYR 4040Cb -0.16 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.05 2hyb s TYR 4040CO -0.02 0.45 0.00 0.72 -1.34 0.00 0.00 175.55 175.36 2hyb n HIS 4041N -0.60 0.00 0.07 4.97 8.25 -1.26 -0.42 115.22 126.22 2hyb n HIS 4041Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 2hyb n HIS 4041Cb 0.62 0.07 0.24 0.00 1.12 0.00 0.00 29.99 32.05 2hyb n HIS 4041CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hyb n ASP 4042N -2.14 0.23 -0.32 0.41 9.92 -1.21 -2.12 116.55 121.32 2hyb n ASP 4042Ca 0.00 0.58 0.09 0.00 -0.53 0.00 0.00 54.79 54.93 2hyb n ASP 4042Cb 0.00 -0.60 0.26 0.00 -0.64 0.00 0.00 41.12 40.14 2hyb n ASP 4042CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2hyb h GLY 4043N 0.00 1.56 0.98 0.44 0.00 -0.72 -0.25 103.07 105.08 2hyb h GLY 4043Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2hyb h GLY 4043CO 0.00 -0.03 0.50 -0.39 0.00 0.00 0.00 176.54 176.62 2hyb h VAL 4044N 0.71 0.00 0.00 4.60 -1.51 -1.54 -0.61 116.25 117.90 2hyb h VAL 4044Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.98 2hyb h VAL 4044Cb 0.73 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2hyb h VAL 4044CO -0.36 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.57 2hyb n ASN 4045N -2.72 0.00 -0.05 4.19 5.03 -0.12 -2.47 115.26 119.12 2hyb n ASN 4045Ca -0.01 -0.58 0.14 0.00 0.87 0.00 0.00 54.58 55.00 2hyb n ASN 4045Cb 0.53 -0.06 0.63 0.00 -1.02 0.00 0.00 39.78 39.86 2hyb n ASN 4045CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2hyb n ASN 4046N -1.06 0.25 -1.05 6.41 3.02 -0.24 -3.77 115.26 118.83 2hyb n ASN 4046Ca 0.16 -0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.58 2hyb n ASN 4046Cb 0.10 -0.18 0.18 0.00 -0.61 0.00 0.00 39.78 39.28 2hyb n ASN 4046CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hyb n SER 4047N -1.18 3.19 -4.76 6.41 3.41 -1.03 -4.58 113.62 115.08 2hyb n SER 4047Ca 0.13 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 2hyb n SER 4047Cb 0.28 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 2hyb n SER 4047CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2hyb s THR 4048N -1.72 3.88 -2.54 6.66 -1.32 -1.25 0.62 115.64 119.98 2hyb s THR 4048Ca 0.34 1.79 0.24 0.00 -1.21 0.00 0.00 61.69 62.85 2hyb s THR 4048Cb 0.22 -4.10 0.41 0.00 -1.51 0.00 0.00 72.50 67.52 2hyb s THR 4048CO 0.31 0.35 1.48 -2.11 -2.21 0.00 0.00 174.62 172.44 2hyb n ARG 4049N 1.09 2.07 -0.16 7.08 1.85 0.21 -4.36 116.66 124.44 2hyb n ARG 4049Ca -0.00 -1.59 0.06 0.00 -1.00 0.00 0.00 57.85 55.31 2hyb n ARG 4049Cb 0.47 -1.46 0.17 0.00 -1.05 0.00 0.00 32.46 30.59 2hyb n ARG 4049CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hyb n LEU 4050N 0.85 1.79 -4.83 2.89 4.77 -1.26 -4.94 117.00 116.26 2hyb n LEU 4050Ca 0.17 -0.88 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 2hyb n LEU 4050Cb 0.47 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2hyb n LEU 4050CO 0.15 0.44 0.56 0.42 -1.33 0.00 0.00 177.39 177.63 2hyb s THR 4051N -1.57 4.51 -0.40 -5.08 -4.23 -1.26 -5.01 115.64 102.60 2hyb s THR 4051Ca 0.23 1.26 0.08 0.00 -1.18 0.00 0.00 61.69 62.09 2hyb s THR 4051Cb 0.12 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.61 2hyb s THR 4051CO 0.16 -0.30 0.57 0.41 -0.54 0.00 0.00 174.62 174.93 2hyb n THR 4052N -0.61 -0.60 -2.06 3.99 -1.04 -1.26 -5.12 114.28 107.58 2hyb n THR 4052Ca 0.06 -3.83 -0.36 0.00 -2.04 0.00 0.00 64.05 57.88 2hyb n THR 4052Cb 0.54 -1.53 0.02 0.00 -1.82 0.00 0.00 70.33 67.54 2hyb n THR 4052CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyb s PRO 4053N -1.10 3.15 0.14 -2.82 0.02 -1.26 -4.94 135.00 128.19 2hyb s PRO 4053Ca 0.35 1.83 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 2hyb s PRO 4053Cb 0.19 -2.04 -0.16 0.00 0.02 0.00 0.00 34.50 32.51 2hyb s PRO 4053CO -0.12 -1.06 1.14 -2.30 -0.33 0.00 0.00 177.00 174.33 2hyb n PRO 4054N -1.34 0.96 0.27 5.54 -0.02 -1.26 -4.83 135.00 134.32 2hyb n PRO 4054Ca 0.12 0.34 0.18 0.00 -2.02 0.00 0.00 63.50 62.12 2hyb n PRO 4054Cb 0.49 -1.83 0.78 0.00 -0.02 0.00 0.00 33.50 32.92 2hyb n PRO 4054CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hyb h GLN 4055N 3.38 0.00 -0.21 -0.52 4.20 -1.96 -2.53 115.11 117.48 2hyb h GLN 4055Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2hyb h GLN 4055Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2hyb h GLN 4055CO 0.70 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.46 2hyb n ASP 4056N -2.97 1.68 -4.35 1.46 3.85 -1.26 -4.88 116.55 110.08 2hyb n ASP 4056Ca -0.00 -1.78 -0.18 0.00 -0.71 0.00 0.00 54.79 52.12 2hyb n ASP 4056Cb 0.24 -0.14 -0.10 0.00 -1.35 0.00 0.00 41.12 39.77 2hyb n ASP 4056CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hyb s ASP 4057N -1.42 1.82 0.63 -1.12 3.68 -0.95 -5.14 116.67 114.17 2hyb s ASP 4057Ca 0.30 -1.29 -0.18 0.00 2.13 0.00 0.00 52.55 53.52 2hyb s ASP 4057Cb 0.16 0.02 -0.02 0.00 -1.45 0.00 0.00 42.92 41.63 2hyb s ASP 4057CO 0.23 -0.58 1.21 0.00 0.13 0.00 0.00 175.17 176.17 2hyb s ARG 4058N -3.90 2.75 -0.69 4.34 3.03 -1.26 -4.81 118.95 118.40 2hyb s ARG 4058Ca 0.32 1.81 -0.09 0.00 2.03 0.00 0.00 55.73 59.80 2hyb s ARG 4058Cb 0.07 -1.90 0.18 0.00 -1.03 0.00 0.00 34.95 32.26 2hyb s ARG 4058CO 0.11 -1.38 0.57 -1.58 -1.13 0.00 0.00 175.30 171.89 2hyb s HIS 4059N -1.70 3.56 0.27 5.89 2.46 -1.26 -4.87 115.29 119.64 2hyb s HIS 4059Ca 0.77 -2.24 -0.00 0.00 0.47 0.00 0.00 55.06 54.05 2hyb s HIS 4059Cb -0.30 -3.53 0.59 0.00 -0.13 0.00 0.00 32.58 29.22 2hyb s HIS 4059CO 0.37 -0.93 1.71 0.82 -2.47 0.00 0.00 174.74 174.23 2hyb h ILE 4060N 5.21 0.55 0.05 0.89 2.04 -1.99 -1.05 117.51 123.20 2hyb h ILE 4060Ca -0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2hyb h ILE 4060Cb 1.01 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2hyb h ILE 4060CO 0.76 0.08 -0.02 0.58 0.00 0.00 0.00 178.15 179.55 2hyb h VAL 4061N 0.41 1.26 -0.77 1.67 2.07 -1.92 -2.71 116.25 116.26 2hyb h VAL 4061Ca 0.49 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2hyb h VAL 4061Cb 0.85 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2hyb h VAL 4061CO -0.48 0.26 0.51 0.78 0.02 0.00 0.00 177.57 178.66 2hyb h ASN 4062N -0.54 0.88 -0.03 0.57 2.35 -1.87 -1.61 115.58 115.33 2hyb h ASN 4062Ca -0.01 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2hyb h ASN 4062Cb 0.48 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2hyb h ASN 4062CO 0.01 0.64 -0.29 0.03 -1.65 0.00 0.00 177.43 176.17 2hyb h ARG 4063N 1.04 -0.40 -0.92 0.81 3.08 -1.22 0.38 114.38 117.15 2hyb h ARG 4063Ca 0.28 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.45 2hyb h ARG 4063Cb -0.12 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 2hyb h ARG 4063CO -0.06 -0.27 0.59 -1.49 -1.07 0.00 0.00 179.97 177.67 2hyb h TRP 4064N -0.42 1.01 -0.13 3.04 4.06 -1.13 -0.33 115.95 122.05 2hyb h TRP 4064Ca 0.07 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 2hyb h TRP 4064Cb 0.52 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2hyb h TRP 4064CO -0.34 0.47 0.01 0.00 -3.56 0.00 0.00 178.44 175.02 2hyb h ALA 4065N 1.54 0.18 0.09 1.49 0.00 -0.23 -0.10 119.26 122.23 2hyb h ALA 4065Ca 0.43 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2hyb h ALA 4065Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2hyb h ALA 4065CO -0.19 -0.14 -0.24 0.93 0.00 0.00 0.00 179.25 179.61 2hyb h GLU 4066N -0.02 -0.42 -0.76 0.00 5.08 0.58 0.40 114.58 119.45 2hyb h GLU 4066Ca 0.04 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2hyb h GLU 4066Cb 0.34 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2hyb h GLU 4066CO 0.01 -0.28 0.44 1.25 -1.00 0.00 0.00 179.01 179.42 2hyb h LEU 4067N -0.43 0.65 -0.23 1.33 5.85 -1.07 0.19 115.31 121.60 2hyb h LEU 4067Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2hyb h LEU 4067Cb 0.47 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2hyb h LEU 4067CO -0.15 0.41 0.02 0.00 -0.34 0.00 0.00 178.44 178.38 2hyb h ALA 4068N 1.39 0.22 0.52 1.25 0.00 -0.11 -0.51 119.26 122.02 2hyb h ALA 4068Ca 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2hyb h ALA 4068Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2hyb h ALA 4068CO -0.20 -0.40 -0.45 1.49 0.00 0.00 0.00 179.25 179.69 2hyb h GLU 4069N 0.10 -0.93 -0.71 0.00 4.57 0.96 0.34 114.58 118.92 2hyb h GLU 4069Ca 0.11 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2hyb h GLU 4069Cb 0.12 0.21 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 2hyb h GLU 4069CO -0.16 -0.62 0.32 0.37 -1.18 0.00 0.00 179.01 177.74 2hyb h GLN 4070N -0.96 0.51 -0.31 1.92 4.15 -0.37 -2.92 115.11 117.13 2hyb h GLN 4070Ca -0.06 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 2hyb h GLN 4070Cb 0.83 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 2hyb h GLN 4070CO -0.02 0.34 -0.01 0.66 -1.93 0.00 0.00 178.83 177.86 2hyb n TYR 4071N -4.93 1.03 -4.30 3.99 4.02 -0.23 -4.98 117.16 111.77 2hyb n TYR 4071Ca 0.12 -1.20 -0.33 0.00 -0.01 0.00 0.00 57.90 56.48 2hyb n TYR 4071Cb 0.32 -0.40 -0.09 0.00 -0.02 0.00 0.00 39.34 39.15 2hyb n TYR 4071CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hyb n GLU 4072N -0.81 -0.87 -2.11 -0.72 1.02 0.11 -4.89 120.64 112.37 2hyb n GLU 4072Ca 0.27 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 57.17 2hyb n GLU 4072Cb 0.96 -3.46 0.01 0.00 -0.02 0.00 0.00 31.44 28.93 2hyb n GLU 4072CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hyb s LEU 4073N -7.40 3.56 -0.53 -4.62 1.43 -0.53 -5.00 118.68 105.58 2hyb s LEU 4073Ca 0.05 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.88 2hyb s LEU 4073Cb -0.03 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.78 2hyb s LEU 4073CO 1.00 -1.14 0.46 -0.62 0.23 0.00 0.00 176.35 176.28 2hyb s ASP 4074N -2.60 6.03 -0.31 2.29 2.15 -1.26 -4.91 116.67 118.06 2hyb s ASP 4074Ca 0.65 -1.91 -0.13 0.00 0.43 0.00 0.00 52.55 51.60 2hyb s ASP 4074Cb -0.17 -2.13 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2hyb s ASP 4074CO 0.34 -0.78 0.25 -0.04 -0.17 0.00 0.00 175.17 174.78 2hyb s MET 4075N 1.40 3.74 -0.03 4.34 -1.94 -1.26 -1.58 119.30 123.98 2hyb s MET 4075Ca 0.05 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 2hyb s MET 4075Cb -0.27 -3.73 -0.03 0.00 2.01 0.00 0.00 34.83 32.80 2hyb s MET 4075CO 0.01 -0.33 -0.11 0.08 -0.01 0.00 0.00 175.02 174.66 2hyb s VAL 4076N 1.82 3.36 -0.19 -6.03 1.01 0.27 -1.63 120.40 119.01 2hyb s VAL 4076Ca 0.08 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2hyb s VAL 4076Cb -0.17 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.86 2hyb s VAL 4076CO 0.11 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.88 2hyb s VAL 4077N -0.85 1.85 -0.10 2.92 1.01 0.04 -0.12 120.40 125.14 2hyb s VAL 4077Ca 0.14 -1.02 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 2hyb s VAL 4077Cb -0.11 -1.81 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 2hyb s VAL 4077CO 0.03 0.31 1.99 0.00 0.00 0.00 0.00 175.10 177.43 2hyb h VAL 4079N 5.94 0.84 -0.15 0.00 3.04 -0.63 -0.50 116.25 124.79 2hyb h VAL 4079Ca -0.46 -0.15 -0.19 0.00 -1.01 0.00 0.00 66.70 64.90 2hyb h VAL 4079Cb 1.26 0.38 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2hyb h VAL 4079CO 0.96 0.08 -0.65 0.00 -1.01 0.00 0.00 177.57 176.95 2hyb h ALA 4080N 1.66 0.28 -0.28 3.17 0.00 -1.89 -2.22 119.26 119.98 2hyb h ALA 4080Ca 0.33 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2hyb h ALA 4080Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hyb h ALA 4080CO -0.10 0.56 -0.20 0.00 0.00 0.00 0.00 179.25 179.51 2hyb h ALA 4081N 0.53 1.14 -0.37 0.00 0.00 -1.75 -2.91 119.26 115.91 2hyb h ALA 4081Ca -0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2hyb h ALA 4081Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2hyb h ALA 4081CO 0.14 0.54 -0.36 0.00 0.00 0.00 0.00 179.25 179.57 2hyb h ALA 4082N 1.33 0.67 -0.35 0.00 0.00 -1.08 -2.74 119.26 117.10 2hyb h ALA 4082Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2hyb h ALA 4082Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2hyb h ALA 4082CO 0.04 0.67 -0.23 1.96 0.00 0.00 0.00 179.25 181.69 2hyb h GLN 4083N 0.70 0.68 -0.08 0.00 4.20 -1.29 0.34 115.11 119.66 2hyb h GLN 4083Ca 0.06 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 2hyb h GLN 4083Cb 0.93 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2hyb h GLN 4083CO 0.09 0.85 -0.48 -0.09 -0.67 0.00 0.00 178.83 178.52 2hyb h ARG 4084N 0.59 0.21 -0.01 1.46 2.43 -1.48 -3.28 114.38 114.30 2hyb h ARG 4084Ca 0.08 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2hyb h ARG 4084Cb 0.71 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2hyb h ARG 4084CO 0.05 0.65 -0.35 0.54 -1.51 0.00 0.00 179.97 179.35 2hyb n ARG 4085N -3.97 1.69 -1.16 0.20 1.74 -1.04 -5.02 116.66 109.09 2hyb n ARG 4085Ca -0.02 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 2hyb n ARG 4085Cb 0.53 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2hyb n ARG 4085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 4086N 1.16 1.06 3.71 -0.13 0.00 0.94 -5.06 105.19 106.87 2hyb n GLY 4086Ca 0.06 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2hyb n GLY 4086CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 4087N -2.30 5.40 -0.01 -0.61 -1.09 0.36 -4.92 121.20 118.03 2hyb s ILE 4087Ca 0.00 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2hyb s ILE 4087Cb 0.00 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2hyb s ILE 4087CO 0.00 0.41 0.02 -0.69 -1.23 0.00 0.00 174.94 173.45 2hyb s VAL 4088N 0.54 -0.03 0.49 2.92 1.01 -1.26 -4.41 120.40 119.66 2hyb s VAL 4088Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2hyb s VAL 4088Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2hyb s VAL 4088CO -0.00 0.05 0.04 -0.90 0.00 0.00 0.00 175.10 174.29 2hyb n ASP 4089N 3.69 3.29 -0.20 3.32 3.85 -1.26 -1.49 116.55 127.74 2hyb n ASP 4089Ca -0.21 -3.11 -0.06 0.00 -0.71 0.00 0.00 54.79 50.70 2hyb n ASP 4089Cb 0.54 0.30 -0.01 0.00 -1.35 0.00 0.00 41.12 40.61 2hyb n ASP 4089CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2hyb h GLU 4090N 0.00 -0.18 0.13 0.11 4.57 -1.98 0.64 114.58 117.87 2hyb h GLU 4090Ca -0.40 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2hyb h GLU 4090Cb 1.23 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 2hyb h GLU 4090CO 0.66 -0.12 -0.21 0.78 -1.18 0.00 0.00 179.01 178.94 2hyb h GLY 4091N -0.18 -0.40 0.99 1.92 0.00 -1.99 -1.76 103.07 101.65 2hyb h GLY 4091Ca 0.22 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2hyb h GLY 4091CO -0.69 -0.19 0.23 0.83 0.00 0.00 0.00 176.54 176.72 2hyb h GLU 4092N -0.41 0.49 -0.80 4.80 4.39 -1.80 -0.89 114.58 120.37 2hyb h GLU 4092Ca 0.02 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.78 2hyb h GLU 4092Cb 0.42 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 2hyb h GLU 4092CO -0.11 0.34 0.44 0.00 -1.16 0.00 0.00 179.01 178.53 2hyb h ALA 4093N 1.11 1.13 -0.35 3.43 0.00 -0.73 0.20 119.26 124.06 2hyb h ALA 4093Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2hyb h ALA 4093Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2hyb h ALA 4093CO -0.03 0.05 -0.00 1.03 0.00 0.00 0.00 179.25 180.30 2hyb h SER 4094N 0.73 0.61 -0.05 0.00 0.87 -0.97 0.30 113.55 115.04 2hyb h SER 4094Ca 0.39 -0.31 -0.22 0.00 -1.23 0.00 0.00 61.79 60.42 2hyb h SER 4094Cb 0.38 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2hyb h SER 4094CO -0.26 0.77 -0.81 0.03 -0.53 0.00 0.00 176.83 176.03 2hyb h ARG 4095N 0.43 0.71 -0.00 2.24 3.08 -0.61 -3.26 114.38 116.96 2hyb h ARG 4095Ca 0.10 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2hyb h ARG 4095Cb 0.46 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2hyb h ARG 4095CO 0.02 1.22 -0.54 0.09 -1.07 0.00 0.00 179.97 179.69 2hyb n ASN 4096N -3.90 0.71 -2.78 7.04 5.03 0.66 -4.99 115.26 117.03 2hyb n ASN 4096Ca -0.07 -0.51 -0.11 0.00 0.87 0.00 0.00 54.58 54.75 2hyb n ASN 4096Cb 0.76 0.35 0.06 0.00 -1.02 0.00 0.00 39.78 39.93 2hyb n ASN 4096CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hyb n GLY 4097N 1.47 -0.48 3.84 7.41 0.00 0.83 -5.03 105.19 113.23 2hyb n GLY 4097Ca 0.06 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2hyb n GLY 4097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyb s LYS 4098N -4.29 3.10 0.00 1.61 -0.14 0.08 -5.02 119.74 115.09 2hyb s LYS 4098Ca 0.24 -0.62 0.13 0.00 -1.36 0.00 0.00 55.97 54.37 2hyb s LYS 4098Cb -0.03 -2.84 0.39 0.00 -1.68 0.00 0.00 37.83 33.68 2hyb s LYS 4098CO 0.54 0.57 1.32 -0.40 -0.76 0.00 0.00 175.35 176.62 2hyb n ASP 4099N 0.26 2.20 -3.61 2.83 5.68 -1.26 -4.77 116.55 117.88 2hyb n ASP 4099Ca -0.07 -1.98 -0.04 0.00 -0.50 0.00 0.00 54.79 52.20 2hyb n ASP 4099Cb 0.52 -0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 2hyb n ASP 4099CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hyb s ALA 4100N -1.47 -1.95 0.24 2.12 0.00 -1.26 -5.18 121.76 114.26 2hyb s ALA 4100Ca 0.28 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.21 2hyb s ALA 4100Cb 0.15 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 2hyb s ALA 4100CO 0.20 -0.84 -0.13 0.95 0.00 0.00 0.00 175.76 175.94 2hyb s THR 4101N -2.80 1.81 0.00 0.00 -4.23 -1.26 -4.84 115.64 104.31 2hyb s THR 4101Ca 0.10 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2hyb s THR 4101Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2hyb s THR 4101CO -0.04 -0.48 0.00 -0.46 -0.54 0.00 0.00 174.62 173.10 2hyb n ASN 4102N -0.47 0.00 -4.76 3.99 6.94 -0.56 -5.00 115.26 115.41 2hyb n ASN 4102Ca -0.07 -0.06 -0.38 0.00 -0.02 0.00 0.00 54.58 54.05 2hyb n ASN 4102Cb 0.61 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.06 2hyb n ASN 4102CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2hyb s ILE 4103N -0.00 2.43 0.19 1.53 2.07 -0.81 0.66 121.20 127.27 2hyb s ILE 4103Ca 0.00 0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 59.27 2hyb s ILE 4103Cb 0.00 -3.17 -0.08 0.00 0.13 0.00 0.00 42.46 39.34 2hyb s ILE 4103CO 0.00 0.00 0.95 -2.28 -1.91 0.00 0.00 174.94 171.70 2hyb s HIS 4104N -1.37 3.92 0.66 3.50 5.65 0.20 -4.50 115.29 123.35 2hyb s HIS 4104Ca 0.68 1.87 0.39 0.00 0.25 0.00 0.00 55.06 58.25 2hyb s HIS 4104Cb -0.37 -3.01 2.15 0.00 -1.18 0.00 0.00 32.58 30.17 2hyb s HIS 4104CO 0.44 0.36 2.23 -1.00 -0.65 0.00 0.00 174.74 176.12 2hyb h PRO 4105N 4.67 0.00 -0.00 2.88 0.13 -1.93 -2.10 132.00 135.65 2hyb h PRO 4105Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2hyb h PRO 4105Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2hyb h PRO 4105CO 0.69 0.00 -0.04 1.63 -0.23 0.00 0.00 178.00 180.06 2hyb n LYS 4106N -3.12 0.63 -4.28 0.86 4.76 -1.26 -4.79 118.16 110.96 2hyb n LYS 4106Ca -0.02 -0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 2hyb n LYS 4106Cb 0.17 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 2hyb n LYS 4106CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2hyb s PHE 4107N -2.44 2.68 0.01 2.13 0.40 -0.79 -4.56 117.98 115.42 2hyb s PHE 4107Ca 0.32 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 2hyb s PHE 4107Cb 0.20 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 2hyb s PHE 4107CO 0.45 0.40 -0.16 -0.98 0.70 0.00 0.00 175.22 175.64 2hyb s ARG 4108N -2.11 1.18 0.30 0.44 1.70 -0.64 -4.82 118.95 115.00 2hyb s ARG 4108Ca 0.20 -0.66 -0.16 0.00 -0.47 0.00 0.00 55.73 54.64 2hyb s ARG 4108Cb -0.11 -1.17 -0.09 0.00 -0.57 0.00 0.00 34.95 33.01 2hyb s ARG 4108CO 0.12 0.31 0.73 0.42 -1.08 0.00 0.00 175.30 175.80 2hyb s ILE 4109N -0.56 4.66 0.16 4.99 1.01 -1.26 -0.78 121.20 129.42 2hyb s ILE 4109Ca 0.05 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 2hyb s ILE 4109Cb -0.07 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.80 2hyb s ILE 4109CO 0.00 -0.12 0.62 -0.24 0.00 0.00 0.00 174.94 175.20 2hyb n SER 4110N -0.18 -1.23 -4.89 3.58 2.88 -0.65 -4.84 113.62 108.28 2hyb n SER 4110Ca 0.02 -1.72 -0.29 0.00 -1.33 0.00 0.00 58.87 55.56 2hyb n SER 4110Cb 0.53 2.02 -0.02 0.00 -0.75 0.00 0.00 64.21 65.99 2hyb n SER 4110CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2hyb s GLY 4111N -2.71 1.73 0.27 0.46 0.00 -1.26 0.16 107.32 105.96 2hyb s GLY 4111Ca 0.13 -0.40 0.14 0.00 0.00 0.00 0.00 44.72 44.59 2hyb s GLY 4111CO 0.05 -0.24 1.36 -0.10 0.00 0.00 0.00 173.10 174.17 2hyb n LEU 4112N -1.65 0.36 0.24 0.66 7.94 -1.26 -1.11 117.00 122.17 2hyb n LEU 4112Ca 0.01 0.60 0.10 0.00 -1.11 0.00 0.00 56.01 55.61 2hyb n LEU 4112Cb 0.54 -0.60 0.60 0.00 0.53 0.00 0.00 43.42 44.49 2hyb n LEU 4112CO 0.50 -0.72 0.89 1.23 -1.11 0.00 0.00 177.39 178.17 2hyb h GLY 4113N 0.00 0.00 2.00 -3.96 0.00 -2.00 -2.43 103.07 96.68 2hyb h GLY 4113Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2hyb h GLY 4113CO 0.00 0.00 -0.15 1.46 0.00 0.00 0.00 176.54 177.85 2hyb h GLN 4114N 0.00 0.00 0.40 4.80 1.08 -1.51 0.31 115.11 120.19 2hyb h GLN 4114Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2hyb h GLN 4114Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2hyb h GLN 4114CO 0.02 0.15 -0.19 1.25 -0.95 0.00 0.00 178.83 179.11 2hyb h LEU 4115N 0.00 -0.45 -0.75 1.46 5.85 -1.63 -1.80 115.31 117.98 2hyb h LEU 4115Ca -0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.86 2hyb h LEU 4115Cb 0.45 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 2hyb h LEU 4115CO 0.02 -0.03 0.35 0.58 -0.34 0.00 0.00 178.44 179.02 2hyb h VAL 4116N -1.13 0.75 -0.65 1.05 2.07 -1.55 0.13 116.25 116.92 2hyb h VAL 4116Ca -0.05 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.40 2hyb h VAL 4116Cb 0.41 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 2hyb h VAL 4116CO 0.09 0.10 0.19 -0.08 0.02 0.00 0.00 177.57 177.89 2hyb h GLU 4117N 0.55 0.32 -0.14 1.57 4.22 -0.39 -1.63 114.58 119.08 2hyb h GLU 4117Ca 0.40 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.69 2hyb h GLU 4117Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2hyb h GLU 4117CO -0.34 0.21 -0.47 0.00 -2.18 0.00 0.00 179.01 176.23 2hyb h ALA 4118N 1.50 0.95 0.00 2.92 0.00 -0.10 -2.73 119.26 121.80 2hyb h ALA 4118Ca 0.34 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2hyb h ALA 4118Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2hyb h ALA 4118CO -0.40 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.34 2hyb h ALA 4119N 1.23 1.62 0.05 0.00 0.00 -0.29 0.35 119.26 122.21 2hyb h ALA 4119Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2hyb h ALA 4119Cb 0.93 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2hyb h ALA 4119CO 0.08 0.20 -0.27 0.82 0.00 0.00 0.00 179.25 180.08 2hyb h ILE 4120N 0.00 1.71 -0.62 0.00 2.04 -1.30 -3.36 117.51 115.98 2hyb h ILE 4120Ca -0.00 -2.41 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 2hyb h ILE 4120Cb 0.31 3.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.70 2hyb h ILE 4120CO 0.02 0.65 0.09 1.56 0.00 0.00 0.00 178.15 180.46 2hyb h GLN 4121N -0.79 1.04 -6.96 2.37 1.08 -1.28 -3.44 115.11 107.11 2hyb h GLN 4121Ca -0.05 -0.29 -0.46 0.00 -1.45 0.00 0.00 58.65 56.40 2hyb h GLN 4121Cb 1.21 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2hyb h GLN 4121CO 0.05 0.98 0.36 0.00 -0.95 0.00 0.00 178.83 179.27 2hyb s ALA 4122N -5.18 3.11 0.27 3.87 0.00 0.10 -4.94 121.76 118.99 2hyb s ALA 4122Ca -0.12 0.54 0.11 0.00 0.00 0.00 0.00 51.96 52.49 2hyb s ALA 4122Cb 0.14 -3.20 0.40 0.00 0.00 0.00 0.00 23.12 20.46 2hyb s ALA 4122CO 0.84 0.04 1.63 -0.44 0.00 0.00 0.00 175.76 177.84 2hyb h ASP 4123N 2.56 0.00 -3.77 0.00 3.32 -0.59 -3.45 116.42 114.49 2hyb h ASP 4123Ca -0.48 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.23 2hyb h ASP 4123Cb 1.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 2hyb h ASP 4123CO 0.63 0.58 -0.75 -0.13 -1.72 0.00 0.00 179.24 177.85 2hyb s ARG 4124N -3.63 0.45 -0.42 3.56 1.81 -1.08 -5.03 118.95 114.60 2hyb s ARG 4124Ca -0.01 -0.12 -0.05 0.00 -1.72 0.00 0.00 55.73 53.83 2hyb s ARG 4124Cb 0.13 -0.47 0.11 0.00 -0.45 0.00 0.00 34.95 34.27 2hyb s ARG 4124CO 0.75 0.04 0.24 -1.17 -0.68 0.00 0.00 175.30 174.48 2hyb s LEU 4125N 0.22 5.34 -0.27 2.53 2.96 -1.26 -1.00 118.68 127.20 2hyb s LEU 4125Ca -0.02 -1.96 -0.11 0.00 -0.22 0.00 0.00 54.13 51.82 2hyb s LEU 4125Cb -0.06 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2hyb s LEU 4125CO -0.00 -0.58 0.18 -0.69 -1.32 0.00 0.00 176.35 173.93 2hyb s VAL 4126N 1.21 5.26 -0.16 1.68 1.01 -0.18 -5.00 120.40 124.22 2hyb s VAL 4126Ca 0.07 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2hyb s VAL 4126Cb -0.24 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2hyb s VAL 4126CO -0.03 0.28 0.07 -0.69 0.00 0.00 0.00 175.10 174.72 2hyb s VAL 4127N 1.58 4.83 -0.15 2.92 1.01 -1.26 -1.71 120.40 127.62 2hyb s VAL 4127Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2hyb s VAL 4127Cb -0.15 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2hyb s VAL 4127CO 0.09 0.50 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 2hyb s PHE 4128N 0.02 2.74 0.00 5.22 0.40 0.58 -4.96 117.98 121.98 2hyb s PHE 4128Ca 0.06 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 55.13 2hyb s PHE 4128Cb -0.12 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2hyb s PHE 4128CO 0.01 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 175.75 2hyb n GLY 4129N 4.17 4.10 0.65 4.36 0.00 -1.26 -1.89 105.19 115.31 2hyb n GLY 4129Ca -0.20 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.34 2hyb n GLY 4129CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66