#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy n ASP 4001N 0.00 0.00 -4.50 7.83 2.03 -1.26 -4.83 116.55 115.82 1vsy n ASP 4001Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1vsy n ASP 4001Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1vsy n ASP 4001CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vsy s ILE 4002N 0.00 4.99 -0.28 5.18 1.01 -1.26 -4.72 121.20 126.12 1vsy s ILE 4002Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1vsy s ILE 4002Cb 0.00 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.43 1vsy s ILE 4002CO 0.00 -0.49 -0.07 -0.63 0.00 0.00 0.00 174.94 173.76 1vsy s ILE 4003N 2.39 2.41 0.33 2.92 -1.09 -1.26 -1.36 121.20 125.54 1vsy s ILE 4003Ca 0.16 -1.62 0.10 0.00 -2.23 0.00 0.00 60.65 57.05 1vsy s ILE 4003Cb -0.16 -2.43 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 1vsy s ILE 4003CO 0.16 -0.09 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.91 1vsy s LEU 4004N 1.13 2.71 -0.28 2.97 1.43 -0.31 -2.69 118.68 123.63 1vsy s LEU 4004Ca -0.07 -1.18 -0.25 0.00 -1.03 0.00 0.00 54.13 51.60 1vsy s LEU 4004Cb -0.20 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.17 1vsy s LEU 4004CO -0.04 -0.19 1.12 -0.83 0.23 0.00 0.00 176.35 176.64 1vsy s GLY 4005N -3.59 -0.05 -0.03 -3.19 0.00 -0.90 -1.55 107.32 98.01 1vsy s GLY 4005Ca 0.32 2.82 0.00 0.00 0.00 0.00 0.00 44.72 47.87 1vsy s GLY 4005CO 0.16 1.80 -0.00 -1.50 0.00 0.00 0.00 173.10 173.56 1vsy s ILE 4006N 0.09 0.20 -0.18 0.90 2.07 -0.12 -0.97 121.20 123.19 1vsy s ILE 4006Ca 0.04 0.07 -0.19 0.00 -1.41 0.00 0.00 60.65 59.17 1vsy s ILE 4006Cb -0.05 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1vsy s ILE 4006CO -0.08 0.15 0.52 -0.60 -1.91 0.00 0.00 174.94 173.02 1vsy s ARG 4007N 1.04 4.23 0.00 3.50 3.00 0.84 -0.90 118.95 130.66 1vsy s ARG 4007Ca -0.09 0.44 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 1vsy s ARG 4007Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 34.95 31.28 1vsy s ARG 4007CO -0.02 -0.08 0.00 1.33 0.00 0.00 0.00 175.30 176.54 1vsy n VAL 4008N 4.33 0.00 -0.08 7.11 0.24 0.47 -4.81 118.33 125.59 1vsy n VAL 4008Ca -0.05 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 1vsy n VAL 4008Cb 0.51 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.79 1vsy n VAL 4008CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1vsy h GLN 4009N 0.00 0.00 -0.32 7.34 4.15 -1.57 -3.42 115.11 121.29 1vsy h GLN 4009Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1vsy h GLN 4009Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1vsy h GLN 4009CO 0.00 0.69 0.00 -0.25 -1.93 0.00 0.00 178.83 177.34 1vsy n ASP 4010N -4.55 2.97 -3.82 -0.69 8.00 -1.26 -4.47 116.55 112.73 1vsy n ASP 4010Ca -0.18 -2.11 0.03 0.00 0.71 0.00 0.00 54.79 53.23 1vsy n ASP 4010Cb 0.47 -0.25 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1vsy n ASP 4010CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1vsy s SER 4011N -1.11 0.00 0.02 -2.24 1.04 -1.26 -4.51 113.70 105.64 1vsy s SER 4011Ca 0.24 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.54 1vsy s SER 4011Cb 0.14 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 1vsy s SER 4011CO 0.14 -0.27 -0.15 -0.69 0.98 0.00 0.00 173.24 173.25 1vsy s VAL 4012N -2.05 1.20 -0.06 5.02 1.01 -0.64 -0.40 120.40 124.48 1vsy s VAL 4012Ca 0.28 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1vsy s VAL 4012Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1vsy s VAL 4012CO -0.01 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1vsy s ILE 4013N -0.63 1.54 -0.11 2.22 1.01 -0.08 -1.10 121.20 124.05 1vsy s ILE 4013Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1vsy s ILE 4013Cb -0.07 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1vsy s ILE 4013CO 0.01 0.44 -0.18 -0.76 0.00 0.00 0.00 174.94 174.45 1vsy s LEU 4014N 0.16 1.87 0.12 2.97 1.43 -0.52 -0.95 118.68 123.76 1vsy s LEU 4014Ca -0.08 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1vsy s LEU 4014Cb -0.13 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1vsy s LEU 4014CO 0.04 0.06 0.08 0.00 0.23 0.00 0.00 176.35 176.75 1vsy s ALA 4015N 0.80 3.50 -0.30 4.21 0.00 -0.59 -1.79 121.76 127.59 1vsy s ALA 4015Ca -0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1vsy s ALA 4015Cb -0.16 -1.34 0.19 0.00 0.00 0.00 0.00 23.12 21.81 1vsy s ALA 4015CO 0.01 0.64 0.62 -1.12 0.00 0.00 0.00 175.76 175.91 1vsy s SER 4016N -2.66 -1.35 0.38 0.00 0.01 -1.16 -1.17 113.70 107.75 1vsy s SER 4016Ca 0.29 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 1vsy s SER 4016Cb -0.11 2.14 -0.13 0.00 0.21 0.00 0.00 66.02 68.13 1vsy s SER 4016CO 0.22 -0.25 0.74 -1.54 0.41 0.00 0.00 173.24 172.82 1vsy n SER 4017N 5.43 0.02 -0.67 2.44 3.41 -0.47 -1.39 113.62 122.39 1vsy n SER 4017Ca -0.01 1.01 0.11 0.00 -0.26 0.00 0.00 58.87 59.72 1vsy n SER 4017Cb 0.51 -1.19 0.35 0.00 -0.26 0.00 0.00 64.21 63.62 1vsy n SER 4017CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsy n LYS 4018N 0.54 1.89 -4.29 4.33 5.02 -0.77 -4.68 118.16 120.20 1vsy n LYS 4018Ca 0.11 -1.33 -0.35 0.00 -2.02 0.00 0.00 58.31 54.72 1vsy n LYS 4018Cb 0.37 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 1vsy n LYS 4018CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vsy s ALA 4019N -1.79 3.38 -0.20 7.82 0.00 -1.12 -1.47 121.76 128.38 1vsy s ALA 4019Ca 0.34 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1vsy s ALA 4019Cb 0.19 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.81 1vsy s ALA 4019CO 0.29 0.60 -0.12 0.08 0.00 0.00 0.00 175.76 176.61 1vsy s VAL 4020N -0.94 1.71 -0.12 0.00 1.01 -0.96 -4.94 120.40 116.15 1vsy s VAL 4020Ca 0.15 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1vsy s VAL 4020Cb -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1vsy s VAL 4020CO 0.04 0.22 -0.17 -0.89 0.00 0.00 0.00 175.10 174.30 1vsy s THR 4021N 1.38 2.67 -0.84 3.92 2.01 -1.26 -0.73 115.64 122.79 1vsy s THR 4021Ca -0.00 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1vsy s THR 4021Cb -0.16 -2.09 0.24 0.00 0.01 0.00 0.00 72.50 70.50 1vsy s THR 4021CO -0.09 0.53 0.89 0.54 -0.69 0.00 0.00 174.62 175.80 1vsy n ARG 4022N 3.59 2.90 0.00 4.92 5.12 -0.85 -4.97 116.66 127.38 1vsy n ARG 4022Ca -0.19 -4.56 0.00 0.00 -1.93 0.00 0.00 57.85 51.18 1vsy n ARG 4022Cb 0.53 -2.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 1vsy n ARG 4022CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vsy n GLY 4023N 1.64 1.69 0.12 -0.13 0.00 -1.26 -3.76 105.19 103.48 1vsy n GLY 4023Ca 0.25 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 1vsy n GLY 4023CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vsy n ILE 4024N 0.00 1.49 -4.15 -0.61 3.06 -1.26 -4.98 119.36 112.92 1vsy n ILE 4024Ca 0.00 -0.65 -0.28 0.00 -2.50 0.00 0.00 62.75 59.32 1vsy n ILE 4024Cb 0.00 -1.21 -0.08 0.00 0.54 0.00 0.00 39.64 38.89 1vsy n ILE 4024CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1vsy s SER 4025N -6.31 4.99 -0.39 9.51 0.01 -1.25 -5.08 113.70 115.18 1vsy s SER 4025Ca -0.27 -0.25 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 1vsy s SER 4025Cb 0.08 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 65.16 1vsy s SER 4025CO 0.67 0.13 0.75 -0.69 0.41 0.00 0.00 173.24 174.52 1vsy s VAL 4026N -1.50 4.74 0.03 3.43 1.01 -1.26 -2.00 120.40 124.84 1vsy s VAL 4026Ca 0.27 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 1vsy s VAL 4026Cb -0.11 -4.21 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 1vsy s VAL 4026CO 0.19 -0.49 0.94 -0.07 0.00 0.00 0.00 175.10 175.67 1vsy h LEU 4027N 9.78 0.37 -7.82 3.92 3.38 -1.30 -3.47 115.31 120.16 1vsy h LEU 4027Ca -0.25 -0.47 -0.21 0.00 0.09 0.00 0.00 57.88 57.03 1vsy h LEU 4027Cb 1.09 -0.12 -0.26 0.00 0.09 0.00 0.00 40.66 41.47 1vsy h LEU 4027CO 0.91 1.39 -0.71 -0.75 0.09 0.00 0.00 178.44 179.36 1vsy s LYS 4028N -2.63 0.12 -0.20 1.13 2.20 -1.20 -5.02 119.74 114.14 1vsy s LYS 4028Ca -0.07 -0.22 0.16 0.00 -0.36 0.00 0.00 55.97 55.48 1vsy s LYS 4028Cb 0.07 0.03 0.51 0.00 -1.51 0.00 0.00 37.83 36.92 1vsy s LYS 4028CO 0.86 -0.01 1.41 -0.40 -0.36 0.00 0.00 175.35 176.85 1vsy n ASP 4029N 2.56 3.52 -2.76 1.43 5.68 -1.26 -2.28 116.55 123.45 1vsy n ASP 4029Ca -0.16 -3.16 -0.10 0.00 -0.50 0.00 0.00 54.79 50.87 1vsy n ASP 4029Cb 0.58 -0.55 0.08 0.00 -1.14 0.00 0.00 41.12 40.08 1vsy n ASP 4029CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1vsy n SER 4030N -0.70 -2.21 -4.42 -1.12 3.41 -0.54 -4.79 113.62 103.25 1vsy n SER 4030Ca 0.23 -3.60 -0.39 0.00 -0.26 0.00 0.00 58.87 54.85 1vsy n SER 4030Cb 0.90 1.75 -0.12 0.00 -0.26 0.00 0.00 64.21 66.49 1vsy n SER 4030CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vsy s ASP 4031N -1.40 5.56 -0.67 4.04 2.15 -0.55 -5.03 116.67 120.78 1vsy s ASP 4031Ca 0.25 -0.65 -0.27 0.00 0.43 0.00 0.00 52.55 52.31 1vsy s ASP 4031Cb 0.28 -2.00 -0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1vsy s ASP 4031CO -0.08 -0.24 1.63 -0.62 -0.17 0.00 0.00 175.17 175.69 1vsy s ASP 4032N 1.59 5.63 -0.56 -0.34 2.15 -1.26 -4.50 116.67 119.37 1vsy s ASP 4032Ca 0.04 0.01 -0.05 0.00 0.43 0.00 0.00 52.55 52.98 1vsy s ASP 4032Cb -0.18 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1vsy s ASP 4032CO 0.06 -2.16 2.89 0.29 -0.17 0.00 0.00 175.17 176.08 1vsy n LYS 4033N 9.26 2.75 -3.64 4.34 5.02 -1.26 -4.84 118.16 129.79 1vsy n LYS 4033Ca 0.14 -2.26 -0.09 0.00 -2.02 0.00 0.00 58.31 54.08 1vsy n LYS 4033Cb 0.51 -2.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 1vsy n LYS 4033CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1vsy s THR 4034N -1.21 0.00 -0.10 -0.18 -1.32 -1.26 -2.41 115.64 109.16 1vsy s THR 4034Ca 0.60 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.05 1vsy s THR 4034Cb 0.33 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1vsy s THR 4034CO -0.15 0.00 0.03 -0.13 -2.21 0.00 0.00 174.62 172.16 1vsy s ARG 4035N 1.14 3.14 -0.22 7.08 1.81 -1.05 -4.97 118.95 125.87 1vsy s ARG 4035Ca -0.06 -0.36 -0.29 0.00 -1.72 0.00 0.00 55.73 53.30 1vsy s ARG 4035Cb -0.05 -2.89 0.01 0.00 -0.45 0.00 0.00 34.95 31.57 1vsy s ARG 4035CO -0.12 0.68 1.04 -1.14 -0.68 0.00 0.00 175.30 175.07 1vsy s GLN 4036N -0.80 4.27 0.01 3.54 0.74 -1.26 -2.30 119.66 123.85 1vsy s GLN 4036Ca 0.12 1.36 0.26 0.00 0.05 0.00 0.00 55.36 57.15 1vsy s GLN 4036Cb -0.12 -3.63 0.70 0.00 1.10 0.00 0.00 33.01 31.06 1vsy s GLN 4036CO 0.02 -0.61 1.55 1.28 -0.55 0.00 0.00 175.29 176.99 1vsy n LEU 4037N 6.24 0.38 0.00 3.68 4.77 -0.14 -4.92 117.00 127.01 1vsy n LEU 4037Ca 0.12 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1vsy n LEU 4037Cb 0.46 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1vsy n LEU 4037CO 0.52 0.07 0.00 -1.54 -1.33 0.00 0.00 177.39 175.11 1vsy n SER 4038N -1.55 0.00 -0.05 -1.43 3.41 -1.16 -4.27 113.62 108.57 1vsy n SER 4038Ca 0.06 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1vsy n SER 4038Cb 0.34 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1vsy n SER 4038CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vsy n PRO 4039N -0.97 -0.03 -0.72 4.33 -0.02 -1.26 -0.55 135.00 135.79 1vsy n PRO 4039Ca 0.00 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1vsy n PRO 4039Cb 0.00 -0.31 0.20 0.00 -0.02 0.00 0.00 33.50 33.37 1vsy n PRO 4039CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vsy n HIS 4040N -4.20 0.48 -3.66 6.00 8.25 -1.26 -3.44 115.22 117.39 1vsy n HIS 4040Ca 0.01 -1.57 -0.15 0.00 -0.26 0.00 0.00 57.72 55.76 1vsy n HIS 4040Cb 0.06 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 30.67 1vsy n HIS 4040CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1vsy s THR 4041N -3.28 -0.34 0.06 1.59 2.01 0.29 -0.95 115.64 115.02 1vsy s THR 4041Ca 0.41 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.80 1vsy s THR 4041Cb 0.39 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1vsy s THR 4041CO -0.04 0.12 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.52 1vsy s LEU 4042N 2.36 2.23 -0.21 4.42 2.96 0.28 -0.97 118.68 129.75 1vsy s LEU 4042Ca 0.02 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1vsy s LEU 4042Cb -0.12 -1.30 0.06 0.00 0.50 0.00 0.00 46.19 45.33 1vsy s LEU 4042CO -0.07 0.25 0.01 -0.32 -1.32 0.00 0.00 176.35 174.89 1vsy s MET 4043N -1.40 0.95 0.44 1.98 -2.45 -0.97 -0.91 119.30 116.94 1vsy s MET 4043Ca 0.12 -0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 53.92 1vsy s MET 4043Cb -0.10 -2.26 -0.04 0.00 1.25 0.00 0.00 34.83 33.68 1vsy s MET 4043CO 0.03 -0.63 0.73 -1.54 1.05 0.00 0.00 175.02 174.66 1vsy s SER 4044N 1.71 6.30 -0.09 1.11 1.04 0.13 -2.53 113.70 121.37 1vsy s SER 4044Ca -0.02 0.85 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1vsy s SER 4044Cb -0.18 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 63.81 1vsy s SER 4044CO -0.07 -0.49 0.70 0.72 0.98 0.00 0.00 173.24 175.08 1vsy s PHE 4045N -2.59 -0.67 0.19 5.02 -0.12 -1.01 -0.76 117.98 118.04 1vsy s PHE 4045Ca 0.46 1.24 -0.16 0.00 -0.05 0.00 0.00 56.93 58.42 1vsy s PHE 4045Cb -0.10 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1vsy s PHE 4045CO 0.41 -0.56 0.49 0.00 -0.05 0.00 0.00 175.22 175.51 1vsy s ALA 4046N -0.92 -0.75 0.00 1.99 0.00 -0.65 -4.87 121.76 116.56 1vsy s ALA 4046Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1vsy s ALA 4046Cb -0.01 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1vsy s ALA 4046CO 0.08 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1vsy n GLY 4047N -0.32 0.40 3.37 0.00 0.00 -1.26 -1.27 105.19 106.10 1vsy n GLY 4047Ca -0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1vsy n GLY 4047CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vsy n GLU 4048N 0.00 -0.52 0.00 1.61 4.07 -0.75 -4.85 120.64 120.20 1vsy n GLU 4048Ca 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1vsy n GLU 4048Cb 0.00 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1vsy n GLU 4048CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vsy n ALA 4049N -3.70 -0.30 0.01 4.31 0.00 -1.26 -2.93 120.51 116.63 1vsy n ALA 4049Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1vsy n ALA 4049Cb 0.55 0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 1vsy n ALA 4049CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vsy h GLY 4050N 0.00 0.12 0.11 0.00 0.00 -1.99 -3.35 103.07 97.97 1vsy h GLY 4050Ca 0.00 -0.30 0.25 0.00 0.00 0.00 0.00 47.33 47.27 1vsy h GLY 4050CO 0.00 0.27 0.65 -0.55 0.00 0.00 0.00 176.54 176.91 1vsy h ASP 4051N 0.03 0.25 0.00 0.19 3.32 -1.92 -3.08 116.42 115.20 1vsy h ASP 4051Ca -0.29 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1vsy h ASP 4051Cb 2.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.54 1vsy h ASP 4051CO 0.10 0.08 0.00 1.07 -1.72 0.00 0.00 179.24 178.77 1vsy n THR 4052N -4.43 0.00 -0.03 0.35 5.66 -1.15 -2.76 114.28 111.92 1vsy n THR 4052Ca 0.21 1.36 -0.08 0.00 -3.05 0.00 0.00 64.05 62.48 1vsy n THR 4052Cb 0.87 -2.33 -0.02 0.00 -1.55 0.00 0.00 70.33 67.30 1vsy n THR 4052CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1vsy h VAL 4053N 0.00 0.46 -0.99 1.08 2.07 -1.80 -2.72 116.25 114.35 1vsy h VAL 4053Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1vsy h VAL 4053Cb 0.00 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1vsy h VAL 4053CO 0.00 0.00 0.65 1.56 0.02 0.00 0.00 177.57 179.80 1vsy h GLN 4054N -0.22 0.38 0.38 1.57 1.08 -1.60 -0.48 115.11 116.22 1vsy h GLN 4054Ca 0.13 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1vsy h GLN 4054Cb 0.41 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1vsy h GLN 4054CO -0.34 0.25 -0.18 0.35 -0.95 0.00 0.00 178.83 177.96 1vsy h PHE 4055N 0.39 -0.48 -0.79 2.96 3.57 -1.30 -2.77 116.94 118.53 1vsy h PHE 4055Ca 0.54 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.21 1vsy h PHE 4055Cb 1.38 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 1vsy h PHE 4055CO -0.00 -0.17 0.53 0.00 -2.23 0.00 0.00 178.31 176.44 1vsy h ALA 4056N -0.76 2.28 -0.02 2.41 0.00 -0.95 -0.27 119.26 121.95 1vsy h ALA 4056Ca -0.05 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1vsy h ALA 4056Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1vsy h ALA 4056CO 0.09 -0.51 -0.96 0.93 0.00 0.00 0.00 179.25 178.79 1vsy h GLU 4057N 0.31 0.60 -0.87 0.00 5.08 -1.33 -1.19 114.58 117.17 1vsy h GLU 4057Ca 0.39 -0.62 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1vsy h GLU 4057Cb 1.08 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1vsy h GLU 4057CO -0.11 1.23 0.56 -0.92 -1.00 0.00 0.00 179.01 178.77 1vsy h TYR 4058N 0.36 1.04 -0.39 4.33 3.20 -0.79 -0.08 116.97 124.63 1vsy h TYR 4058Ca -0.10 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.66 1vsy h TYR 4058Cb 1.60 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1vsy h TYR 4058CO 0.08 0.57 -0.31 0.82 -1.64 0.00 0.00 178.16 177.68 1vsy h ILE 4059N 1.05 1.28 0.04 1.81 1.08 -1.19 -2.04 117.51 119.53 1vsy h ILE 4059Ca 0.36 -1.48 0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1vsy h ILE 4059Cb 0.07 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 1vsy h ILE 4059CO -0.14 0.50 -0.22 -0.61 -0.69 0.00 0.00 178.15 176.99 1vsy h GLN 4060N 0.72 -0.35 0.02 2.37 4.15 -0.77 -1.55 115.11 119.70 1vsy h GLN 4060Ca 0.07 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1vsy h GLN 4060Cb 0.90 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.62 1vsy h GLN 4060CO 0.08 -0.24 -0.34 0.00 -1.93 0.00 0.00 178.83 176.41 1vsy h ALA 4061N 0.48 -0.52 0.00 3.38 0.00 -1.00 -0.30 119.26 121.30 1vsy h ALA 4061Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vsy h ALA 4061Cb 0.42 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1vsy h ALA 4061CO -0.17 -0.86 0.00 -0.91 0.00 0.00 0.00 179.25 177.31 1vsy h ASN 4062N -0.51 0.00 0.18 0.00 4.21 -1.07 -0.58 115.58 117.80 1vsy h ASN 4062Ca 0.05 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.22 1vsy h ASN 4062Cb 0.58 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.73 1vsy h ASN 4062CO -0.26 0.00 -2.12 -0.38 -1.29 0.00 0.00 177.43 173.37 1vsy n ILE 4063N -3.08 1.55 0.27 2.81 2.08 -0.61 -2.90 119.36 119.48 1vsy n ILE 4063Ca -0.02 -0.75 0.16 0.00 0.56 0.00 0.00 62.75 62.70 1vsy n ILE 4063Cb 0.14 -1.04 0.74 0.00 -0.75 0.00 0.00 39.64 38.73 1vsy n ILE 4063CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1vsy h GLN 4064N 0.01 0.00 0.22 0.38 4.20 -0.62 -0.82 115.11 118.49 1vsy h GLN 4064Ca -0.45 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 57.96 1vsy h GLN 4064Cb 2.07 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.89 1vsy h GLN 4064CO 0.03 0.07 -1.35 1.25 -0.67 0.00 0.00 178.83 178.17 1vsy h LEU 4065N 0.00 0.73 -0.79 1.46 5.85 -1.21 -2.07 115.31 119.28 1vsy h LEU 4065Ca -0.00 -0.93 -0.12 0.00 0.84 0.00 0.00 57.88 57.67 1vsy h LEU 4065Cb 0.43 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1vsy h LEU 4065CO 0.01 1.64 -0.39 0.22 -0.34 0.00 0.00 178.44 179.58 1vsy h TYR 4066N 0.00 0.52 0.38 1.25 5.03 -1.40 -1.66 116.97 121.08 1vsy h TYR 4066Ca -0.24 -0.14 -0.02 0.00 2.58 0.00 0.00 58.73 60.91 1vsy h TYR 4066Cb 2.03 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 40.20 1vsy h TYR 4066CO 0.14 0.77 -0.18 0.77 -1.32 0.00 0.00 178.16 178.34 1vsy h SER 4067N 0.37 -0.43 -0.85 -2.11 0.02 -1.22 -2.67 113.55 106.66 1vsy h SER 4067Ca 0.03 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1vsy h SER 4067Cb 0.85 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1vsy h SER 4067CO 0.07 -0.22 0.55 0.40 -1.14 0.00 0.00 176.83 176.49 1vsy h ILE 4068N -0.61 1.23 -0.11 3.27 5.03 -1.33 -0.07 117.51 124.92 1vsy h ILE 4068Ca -0.05 -0.44 -0.05 0.00 -0.12 0.00 0.00 64.86 64.20 1vsy h ILE 4068Cb 0.45 -0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.22 1vsy h ILE 4068CO 0.09 0.22 -0.11 -0.09 -0.68 0.00 0.00 178.15 177.58 1vsy h ARG 4069N 1.17 0.27 -0.67 2.37 2.43 -1.27 -3.23 114.38 115.45 1vsy h ARG 4069Ca 0.31 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1vsy h ARG 4069Cb -0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1vsy h ARG 4069CO -0.06 0.69 0.00 0.39 -1.51 0.00 0.00 179.97 179.47 1vsy n GLU 4070N -4.62 2.70 -3.93 0.20 -0.58 -1.01 -4.95 120.64 108.45 1vsy n GLU 4070Ca -0.07 -2.59 -0.30 0.00 -0.42 0.00 0.00 57.16 53.78 1vsy n GLU 4070Cb 0.34 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.61 1vsy n GLU 4070CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1vsy n ASP 4071N 1.58 -1.84 -4.05 1.62 2.03 -0.05 -4.90 116.55 110.93 1vsy n ASP 4071Ca 0.23 -0.73 -0.20 0.00 0.52 0.00 0.00 54.79 54.61 1vsy n ASP 4071Cb 0.61 -1.62 -0.15 0.00 -0.72 0.00 0.00 41.12 39.24 1vsy n ASP 4071CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1vsy s TYR 4072N -2.91 0.98 -0.58 -0.67 5.04 -1.16 -5.05 117.35 113.00 1vsy s TYR 4072Ca 0.59 -0.19 -0.24 0.00 -2.44 0.00 0.00 57.07 54.79 1vsy s TYR 4072Cb -0.34 -0.63 0.05 0.00 0.35 0.00 0.00 41.96 41.38 1vsy s TYR 4072CO 0.73 -0.02 0.97 -2.00 -1.34 0.00 0.00 175.55 173.89 1vsy s GLU 4073N -0.25 3.28 0.15 4.97 2.12 -1.26 -4.25 118.70 123.46 1vsy s GLU 4073Ca 0.04 -0.37 -0.34 0.00 0.36 0.00 0.00 54.97 54.66 1vsy s GLU 4073Cb -0.04 -4.09 -0.15 0.00 0.26 0.00 0.00 34.13 30.10 1vsy s GLU 4073CO -0.00 -1.59 1.44 -0.11 -0.54 0.00 0.00 175.26 174.46 1vsy n LEU 4074N 7.63 2.48 -4.77 2.70 0.00 -1.26 -4.91 117.00 118.87 1vsy n LEU 4074Ca 0.01 1.11 -0.36 0.00 0.00 0.00 0.00 56.01 56.77 1vsy n LEU 4074Cb 0.47 -1.33 0.01 0.00 0.00 0.00 0.00 43.42 42.57 1vsy n LEU 4074CO 0.64 -0.65 0.81 -0.94 0.00 0.00 0.00 177.39 177.24 1vsy s SER 4075N 0.61 5.70 0.17 1.96 1.04 -1.26 -4.75 113.70 117.16 1vsy s SER 4075Ca 0.79 2.25 -0.24 0.00 0.48 0.00 0.00 55.95 59.23 1vsy s SER 4075Cb -0.78 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 62.80 1vsy s SER 4075CO 0.44 -1.24 1.59 -0.65 0.98 0.00 0.00 173.24 174.35 1vsy h PRO 4076N 1.30 -0.25 -0.99 4.02 0.11 -1.91 -0.52 132.00 133.76 1vsy h PRO 4076Ca -0.50 0.02 0.30 0.00 0.11 0.00 0.00 66.00 65.93 1vsy h PRO 4076Cb 1.27 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.29 1vsy h PRO 4076CO 0.57 -0.17 0.54 0.37 -0.21 0.00 0.00 178.00 179.10 1vsy h GLN 4077N -0.26 0.34 0.02 1.05 -0.00 -1.97 1.00 115.11 115.29 1vsy h GLN 4077Ca 0.17 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.74 1vsy h GLN 4077Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 27.48 27.97 1vsy h GLN 4077CO -0.58 0.23 -0.27 0.00 0.00 0.00 0.00 178.83 178.21 1vsy h ALA 4078N 1.82 0.00 -0.90 3.38 0.00 -1.55 -1.37 119.26 120.66 1vsy h ALA 4078Ca 0.70 -0.51 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1vsy h ALA 4078Cb 1.54 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1vsy h ALA 4078CO -0.59 0.10 0.52 0.28 0.00 0.00 0.00 179.25 179.57 1vsy h VAL 4079N -0.61 0.87 0.75 0.00 2.07 -0.61 -0.60 116.25 118.13 1vsy h VAL 4079Ca -0.04 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1vsy h VAL 4079Cb 1.09 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1vsy h VAL 4079CO 0.05 0.15 -0.46 -1.28 0.02 0.00 0.00 177.57 176.06 1vsy h SER 4080N 0.83 -1.15 0.33 0.57 0.87 -0.80 -1.20 113.55 112.99 1vsy h SER 4080Ca 0.45 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1vsy h SER 4080Cb 0.48 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1vsy h SER 4080CO -0.28 -0.71 0.00 -0.24 -0.53 0.00 0.00 176.83 175.07 1vsy n SER 4081N -5.34 0.39 -0.08 6.23 2.88 -0.52 -1.09 113.62 116.09 1vsy n SER 4081Ca -0.14 0.63 -0.13 0.00 -1.33 0.00 0.00 58.87 57.90 1vsy n SER 4081Cb 0.47 -0.70 -0.09 0.00 -0.75 0.00 0.00 64.21 63.13 1vsy n SER 4081CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1vsy h PHE 4082N 0.00 0.00 -0.80 0.66 3.57 -1.00 -3.15 116.94 116.23 1vsy h PHE 4082Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1vsy h PHE 4082Cb 0.16 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 1vsy h PHE 4082CO 0.00 0.90 0.36 0.28 -2.23 0.00 0.00 178.31 177.62 1vsy h VAL 4083N -1.00 0.69 -0.00 1.41 2.07 -0.27 -1.25 116.25 117.89 1vsy h VAL 4083Ca -0.11 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1vsy h VAL 4083Cb 0.90 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1vsy h VAL 4083CO -0.07 0.09 -0.17 -0.09 0.02 0.00 0.00 177.57 177.36 1vsy h ARG 4084N 0.52 -0.26 -0.54 1.57 2.43 -1.26 -2.38 114.38 114.46 1vsy h ARG 4084Ca 0.44 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1vsy h ARG 4084Cb 0.65 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1vsy h ARG 4084CO -0.39 -0.17 0.33 -0.56 -1.51 0.00 0.00 179.97 177.67 1vsy h GLN 4085N -0.27 0.72 0.00 0.20 3.07 -1.25 0.57 115.11 118.15 1vsy h GLN 4085Ca 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1vsy h GLN 4085Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1vsy h GLN 4085CO -0.16 0.50 -0.16 0.93 0.09 0.00 0.00 178.83 180.02 1vsy h GLU 4086N 0.73 0.00 0.18 0.06 4.39 -0.90 -0.84 114.58 118.20 1vsy h GLU 4086Ca 0.19 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.54 1vsy h GLU 4086Cb -0.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1vsy h GLU 4086CO -0.04 0.16 -1.79 -0.07 -1.16 0.00 0.00 179.01 176.11 1vsy h LEU 4087N 0.00 0.59 -1.56 1.33 3.38 -0.64 -3.28 115.31 115.13 1vsy h LEU 4087Ca -0.00 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.00 1vsy h LEU 4087Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1vsy h LEU 4087CO 0.02 1.80 -0.16 0.00 0.09 0.00 0.00 178.44 180.20 1vsy h ALA 4088N 0.11 1.13 -0.18 1.53 0.00 -0.68 -2.07 119.26 119.10 1vsy h ALA 4088Ca -0.36 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 1vsy h ALA 4088Cb 2.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1vsy h ALA 4088CO 0.17 0.20 -0.67 0.87 0.00 0.00 0.00 179.25 179.81 1vsy h LYS 4089N 0.00 0.70 -0.01 0.00 1.57 -1.29 -3.28 116.57 114.26 1vsy h LYS 4089Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1vsy h LYS 4089Cb 0.52 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1vsy h LYS 4089CO 0.02 1.13 -0.07 -1.13 -0.57 0.00 0.00 179.45 178.84 1vsy n SER 4090N -3.94 1.01 0.04 0.86 3.41 -0.81 -3.76 113.62 110.43 1vsy n SER 4090Ca -0.05 -1.14 -0.05 0.00 -0.26 0.00 0.00 58.87 57.37 1vsy n SER 4090Cb 0.69 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 1vsy n SER 4090CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1vsy h ILE 4091N 1.47 1.07 -0.51 -1.33 6.09 -1.53 -3.15 117.51 119.62 1vsy h ILE 4091Ca 0.00 -2.73 0.00 0.00 -1.37 0.00 0.00 64.86 60.76 1vsy h ILE 4091Cb 0.40 2.49 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1vsy h ILE 4091CO 0.00 0.61 0.00 -1.14 -3.07 0.00 0.00 178.15 174.55 1vsy n ARG 4092N -3.15 3.78 -1.81 2.19 0.63 -1.25 -4.90 116.66 112.15 1vsy n ARG 4092Ca -0.07 -2.88 -0.22 0.00 -0.92 0.00 0.00 57.85 53.76 1vsy n ARG 4092Cb 0.92 -1.92 0.14 0.00 0.45 0.00 0.00 32.46 32.05 1vsy n ARG 4092CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1vsy n SER 4093N 0.54 0.46 0.00 6.15 3.41 -1.19 -5.05 113.62 117.94 1vsy n SER 4093Ca 0.24 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1vsy n SER 4093Cb 0.93 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1vsy n SER 4093CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vsy n ARG 4094N -3.04 0.00 -3.72 4.33 1.74 -1.26 -4.44 116.66 110.27 1vsy n ARG 4094Ca 0.14 0.47 -0.38 0.00 -0.77 0.00 0.00 57.85 57.31 1vsy n ARG 4094Cb 0.48 -1.35 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 1vsy n ARG 4094CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1vsy s ARG 4095N -2.40 3.19 0.01 5.56 3.52 -1.26 -5.08 118.95 122.50 1vsy s ARG 4095Ca 0.00 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 1vsy s ARG 4095Cb 0.00 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1vsy s ARG 4095CO 0.00 -0.43 1.02 -2.14 -0.81 0.00 0.00 175.30 172.95 1vsy s PRO 4096N 1.54 4.54 -0.15 5.12 0.02 -1.25 -4.99 135.00 139.83 1vsy s PRO 4096Ca 0.03 1.49 -0.38 0.00 0.02 0.00 0.00 61.00 62.16 1vsy s PRO 4096Cb -0.17 -3.44 -0.15 0.00 0.02 0.00 0.00 34.50 30.76 1vsy s PRO 4096CO 0.04 -0.09 1.65 0.66 -0.33 0.00 0.00 177.00 178.93 1vsy n TYR 4097N 3.89 1.95 -3.31 6.54 4.01 -1.26 -4.90 117.16 124.08 1vsy n TYR 4097Ca 0.07 0.50 -0.39 0.00 -0.16 0.00 0.00 57.90 57.91 1vsy n TYR 4097Cb 0.50 -2.45 -0.03 0.00 -0.31 0.00 0.00 39.34 37.05 1vsy n TYR 4097CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1vsy n GLN 4098N 4.68 3.50 -4.21 -0.72 6.02 -1.26 -4.90 117.38 120.49 1vsy n GLN 4098Ca 0.24 -4.54 -0.17 0.00 -0.01 0.00 0.00 57.00 52.51 1vsy n GLN 4098Cb 0.17 -2.45 -0.15 0.00 1.02 0.00 0.00 30.24 28.83 1vsy n GLN 4098CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vsy s VAL 4099N -2.08 0.51 -0.01 5.09 1.01 -1.26 -1.81 120.40 121.85 1vsy s VAL 4099Ca 0.32 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1vsy s VAL 4099Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1vsy s VAL 4099CO -0.01 0.16 -0.10 0.20 0.00 0.00 0.00 175.10 175.35 1vsy s ASN 4100N 0.13 4.39 0.04 3.32 0.01 -0.40 -1.87 114.94 120.56 1vsy s ASN 4100Ca -0.01 -0.19 -0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1vsy s ASN 4100Cb -0.06 -0.97 -0.02 0.00 0.41 0.00 0.00 41.25 40.61 1vsy s ASN 4100CO -0.00 0.30 0.03 0.68 -1.51 0.00 0.00 177.10 176.59 1vsy s VAL 4101N -0.92 0.16 -0.13 1.60 -7.23 -0.19 -1.64 120.40 112.05 1vsy s VAL 4101Ca 0.15 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1vsy s VAL 4101Cb -0.11 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1vsy s VAL 4101CO 0.05 -0.72 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.17 1vsy s LEU 4102N -2.28 1.95 -0.18 1.32 1.43 0.06 -2.04 118.68 118.94 1vsy s LEU 4102Ca -0.03 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1vsy s LEU 4102Cb 0.00 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1vsy s LEU 4102CO -0.06 0.05 -0.07 -0.63 0.23 0.00 0.00 176.35 175.87 1vsy s ILE 4103N 0.89 3.38 -0.01 -0.59 1.01 -0.55 -0.69 121.20 124.64 1vsy s ILE 4103Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1vsy s ILE 4103Cb -0.15 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1vsy s ILE 4103CO -0.02 0.47 0.00 -0.83 0.00 0.00 0.00 174.94 174.56 1vsy s GLY 4104N 0.88 0.11 0.11 6.18 0.00 -0.09 -0.17 107.32 114.34 1vsy s GLY 4104Ca -0.02 0.10 -0.26 0.00 0.00 0.00 0.00 44.72 44.54 1vsy s GLY 4104CO 0.01 0.30 1.05 -0.32 0.00 0.00 0.00 173.10 174.14 1vsy s GLY 4105N 0.51 -0.28 -0.25 0.20 0.00 -0.97 -0.56 107.32 105.97 1vsy s GLY 4105Ca -0.05 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.87 1vsy s GLY 4105CO -0.01 0.04 0.08 -0.47 0.00 0.00 0.00 173.10 172.74 1vsy s TYR 4106N -3.05 3.10 -0.78 1.90 6.14 -0.12 -1.71 117.35 122.82 1vsy s TYR 4106Ca 0.13 -0.37 -0.26 0.00 0.64 0.00 0.00 57.07 57.20 1vsy s TYR 4106Cb 0.00 -2.25 0.02 0.00 0.42 0.00 0.00 41.96 40.15 1vsy s TYR 4106CO 0.01 -0.34 1.40 0.34 0.64 0.00 0.00 175.55 177.60 1vsy s ASP 4107N 1.63 6.08 0.12 4.32 -1.08 -0.81 -4.82 116.67 122.10 1vsy s ASP 4107Ca 0.06 -0.53 0.09 0.00 -0.52 0.00 0.00 52.55 51.66 1vsy s ASP 4107Cb -0.15 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.23 1vsy s ASP 4107CO 0.04 -1.88 1.29 0.29 0.52 0.00 0.00 175.17 175.44 1vsy n LYS 4108N 9.26 0.05 -0.05 4.34 4.76 -1.26 -0.40 118.16 134.85 1vsy n LYS 4108Ca 0.11 0.52 -0.02 0.00 -2.87 0.00 0.00 58.31 56.05 1vsy n LYS 4108Cb 0.50 -1.67 -0.15 0.00 -1.84 0.00 0.00 35.03 31.87 1vsy n LYS 4108CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1vsy n LYS 4109N -1.78 0.67 0.00 1.97 4.81 -1.26 -4.18 118.16 118.39 1vsy n LYS 4109Ca -0.00 -0.03 0.09 0.00 -0.87 0.00 0.00 58.31 57.50 1vsy n LYS 4109Cb 0.04 -1.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.44 1vsy n LYS 4109CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1vsy n LYS 4110N -2.63 0.81 -4.02 1.64 5.02 -0.79 -4.98 118.16 113.22 1vsy n LYS 4110Ca -0.21 -0.15 -0.33 0.00 -2.02 0.00 0.00 58.31 55.60 1vsy n LYS 4110Cb 0.94 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 1vsy n LYS 4110CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vsy n ASN 4111N -1.22 -3.83 -4.41 4.39 3.02 0.46 -4.99 115.26 108.69 1vsy n ASN 4111Ca 0.04 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.50 1vsy n ASN 4111Cb 0.32 -3.11 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 1vsy n ASN 4111CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1vsy s LYS 4112N -6.72 1.49 0.18 3.52 1.02 -1.22 -4.99 119.74 113.00 1vsy s LYS 4112Ca 0.68 -1.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1vsy s LYS 4112Cb -0.36 -1.58 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1vsy s LYS 4112CO 0.84 0.31 0.41 -1.25 -0.92 0.00 0.00 175.35 174.74 1vsy s PRO 4113N -3.16 3.62 -0.02 -1.68 0.05 -1.26 -1.93 135.00 130.62 1vsy s PRO 4113Ca 0.23 -0.10 0.01 0.00 0.05 0.00 0.00 61.00 61.19 1vsy s PRO 4113Cb -0.05 -2.81 0.01 0.00 0.05 0.00 0.00 34.50 31.70 1vsy s PRO 4113CO 0.10 0.41 -0.02 -1.21 0.05 0.00 0.00 177.00 176.33 1vsy s GLU 4114N -2.90 0.35 -0.14 4.56 2.02 -0.69 -4.95 118.70 116.95 1vsy s GLU 4114Ca 0.41 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.37 1vsy s GLU 4114Cb -0.12 -0.41 0.01 0.00 0.10 0.00 0.00 34.13 33.72 1vsy s GLU 4114CO 0.26 -0.02 -0.19 -1.17 0.02 0.00 0.00 175.26 174.17 1vsy s LEU 4115N 0.42 1.94 -0.03 1.80 2.96 -1.26 -2.28 118.68 122.23 1vsy s LEU 4115Ca -0.04 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1vsy s LEU 4115Cb -0.07 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 1vsy s LEU 4115CO -0.01 0.03 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.60 1vsy s TYR 4116N 1.05 2.70 -0.13 5.38 2.02 0.76 -1.26 117.35 127.88 1vsy s TYR 4116Ca -0.03 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1vsy s TYR 4116Cb -0.14 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1vsy s TYR 4116CO -0.05 0.22 -0.22 -1.14 -1.57 0.00 0.00 175.55 172.78 1vsy s GLN 4117N -0.90 3.04 -0.05 -0.62 0.74 -0.68 -1.48 119.66 119.70 1vsy s GLN 4117Ca 0.13 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.67 1vsy s GLN 4117Cb -0.11 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.63 1vsy s GLN 4117CO 0.02 0.05 0.00 0.42 -0.55 0.00 0.00 175.29 175.23 1vsy s ILE 4118N 0.66 0.28 0.32 -2.34 1.01 -0.87 -2.11 121.20 118.16 1vsy s ILE 4118Ca -0.11 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1vsy s ILE 4118Cb -0.16 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1vsy s ILE 4118CO 0.02 0.22 0.48 1.51 0.00 0.00 0.00 174.94 177.17 1vsy s ASP 4119N 1.64 6.17 0.16 3.58 1.47 -0.81 -1.03 116.67 127.85 1vsy s ASP 4119Ca -0.01 0.16 0.05 0.00 1.18 0.00 0.00 52.55 53.93 1vsy s ASP 4119Cb -0.13 -1.73 0.26 0.00 -0.34 0.00 0.00 42.92 40.98 1vsy s ASP 4119CO -0.03 -0.30 0.93 0.00 0.68 0.00 0.00 175.17 176.45 1vsy n TYR 4120N -1.66 0.16 0.61 2.11 4.11 -0.78 0.54 117.16 122.23 1vsy n TYR 4120Ca -0.04 0.08 0.12 0.00 -0.00 0.00 0.00 57.90 58.06 1vsy n TYR 4120Cb 0.57 -0.36 0.16 0.00 -0.00 0.00 0.00 39.34 39.72 1vsy n TYR 4120CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1vsy n LEU 4121N -1.59 0.67 0.00 -3.48 4.77 -1.26 -4.74 117.00 111.37 1vsy n LEU 4121Ca -0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1vsy n LEU 4121Cb 0.35 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1vsy n LEU 4121CO 0.02 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1vsy n GLY 4122N 1.35 0.96 3.62 -0.72 0.00 0.19 -4.35 105.19 106.25 1vsy n GLY 4122Ca 0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1vsy n GLY 4122CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsy s THR 4123N -2.00 3.94 -0.08 2.61 2.01 -1.22 -4.86 115.64 116.05 1vsy s THR 4123Ca 0.00 1.05 0.04 0.00 0.31 0.00 0.00 61.69 63.08 1vsy s THR 4123Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1vsy s THR 4123CO 0.00 -0.45 -0.19 -0.75 -0.69 0.00 0.00 174.62 172.53 1vsy s LYS 4124N 4.49 2.42 -0.03 4.92 2.36 -1.26 -1.92 119.74 130.72 1vsy s LYS 4124Ca 0.63 -0.70 -0.13 0.00 -2.55 0.00 0.00 55.97 53.22 1vsy s LYS 4124Cb -0.19 -1.91 0.02 0.00 -1.05 0.00 0.00 37.83 34.70 1vsy s LYS 4124CO 0.27 0.15 0.28 0.54 1.55 0.00 0.00 175.35 178.14 1vsy s VAL 4125N 0.37 0.05 -0.02 4.02 0.11 -0.90 -5.01 120.40 119.02 1vsy s VAL 4125Ca -0.14 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 1vsy s VAL 4125Cb -0.16 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1vsy s VAL 4125CO 0.06 -0.23 0.47 -0.70 -3.33 0.00 0.00 175.10 171.37 1vsy s GLU 4126N -1.04 4.11 0.07 1.54 -6.30 -1.26 -1.69 118.70 114.13 1vsy s GLU 4126Ca -0.11 0.50 0.00 0.00 -2.50 0.00 0.00 54.97 52.86 1vsy s GLU 4126Cb -0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 34.13 30.75 1vsy s GLU 4126CO 0.03 0.52 -0.05 -0.51 0.02 0.00 0.00 175.26 175.27 1vsy s LEU 4127N -0.58 2.47 0.19 2.70 1.43 -0.39 -5.00 118.68 119.49 1vsy s LEU 4127Ca 0.26 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1vsy s LEU 4127Cb -0.17 0.05 0.09 0.00 0.03 0.00 0.00 46.19 46.20 1vsy s LEU 4127CO 0.14 -0.50 1.45 -0.65 0.23 0.00 0.00 176.35 177.02 1vsy h PRO 4128N 3.27 0.28 -2.81 1.29 0.11 -1.89 -3.36 132.00 128.90 1vsy h PRO 4128Ca -0.35 -0.24 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 1vsy h PRO 4128Cb 1.16 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 1vsy h PRO 4128CO 0.62 0.90 0.07 1.52 -0.21 0.00 0.00 178.00 180.90 1vsy s TYR 4129N -3.52 -0.44 0.17 0.65 -0.85 -1.26 -0.11 117.35 111.98 1vsy s TYR 4129Ca -0.04 0.45 -0.24 0.00 -0.52 0.00 0.00 57.07 56.71 1vsy s TYR 4129Cb 0.11 0.38 0.06 0.00 0.38 0.00 0.00 41.96 42.88 1vsy s TYR 4129CO 0.82 -0.68 0.82 0.20 -1.52 0.00 0.00 175.55 175.19 1vsy s GLY 4130N -2.11 -0.29 -0.15 5.49 0.00 -0.14 -5.00 107.32 105.12 1vsy s GLY 4130Ca -0.04 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 1vsy s GLY 4130CO -0.04 0.05 1.02 0.00 0.00 0.00 0.00 173.10 174.13 1vsy s ALA 4131N -3.52 -1.94 0.35 3.20 0.00 -1.26 -2.12 121.76 116.47 1vsy s ALA 4131Ca 0.09 1.53 0.09 0.00 0.00 0.00 0.00 51.96 53.67 1vsy s ALA 4131Cb -0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 1vsy s ALA 4131CO -0.00 -0.37 -0.03 -1.01 0.00 0.00 0.00 175.76 174.34 1vsy s HIS 4132N -1.46 2.48 0.00 0.00 3.76 -1.09 -4.68 115.29 114.29 1vsy s HIS 4132Ca 0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1vsy s HIS 4132Cb -0.01 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1vsy s HIS 4132CO -0.01 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 1vsy n GLY 4133N -0.89 0.00 0.20 -2.22 0.00 -1.26 -3.26 105.19 97.76 1vsy n GLY 4133Ca -0.05 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.14 1vsy n GLY 4133CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vsy n TYR 4134N 0.00 0.00 -0.41 1.61 4.01 -1.26 -4.30 117.16 116.81 1vsy n TYR 4134Ca 0.00 0.00 0.34 0.00 -0.16 0.00 0.00 57.90 58.08 1vsy n TYR 4134Cb 0.00 -0.15 0.66 0.00 -0.31 0.00 0.00 39.34 39.54 1vsy n TYR 4134CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1vsy h SER 4135N 0.98 0.20 -0.01 7.72 0.02 -1.89 -1.38 113.55 119.18 1vsy h SER 4135Ca 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1vsy h SER 4135Cb 0.46 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1vsy h SER 4135CO 0.00 -0.03 -0.10 1.23 -1.14 0.00 0.00 176.83 176.79 1vsy h GLY 4136N 0.14 0.28 1.02 -3.77 0.00 -1.79 -3.31 103.07 95.63 1vsy h GLY 4136Ca 0.70 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.76 1vsy h GLY 4136CO -0.21 0.15 -0.15 0.74 0.00 0.00 0.00 176.54 177.07 1vsy h PHE 4137N 0.25 0.96 0.00 5.60 -1.00 -1.59 0.91 116.94 122.07 1vsy h PHE 4137Ca 0.05 -0.22 -0.09 0.00 2.81 0.00 0.00 57.97 60.52 1vsy h PHE 4137Cb 0.33 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1vsy h PHE 4137CO 0.01 0.98 -0.43 1.88 -1.61 0.00 0.00 178.31 179.14 1vsy h TYR 4138N 0.67 0.00 0.00 -0.55 -1.99 -1.76 -3.39 116.97 109.95 1vsy h TYR 4138Ca 0.10 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.67 1vsy h TYR 4138Cb 0.69 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.39 1vsy h TYR 4138CO 0.05 0.43 -1.76 0.25 -0.00 0.00 0.00 178.16 177.13 1vsy n THR 4139N -3.31 0.59 0.25 -2.88 -2.24 -1.13 -4.45 114.28 101.11 1vsy n THR 4139Ca 0.01 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1vsy n THR 4139Cb 0.64 -0.42 0.66 0.00 -2.10 0.00 0.00 70.33 69.11 1vsy n THR 4139CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1vsy h PHE 4140N 0.00 0.00 -0.12 4.78 -1.00 -1.01 -2.27 116.94 117.31 1vsy h PHE 4140Ca -0.23 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.37 1vsy h PHE 4140Cb 1.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.97 1vsy h PHE 4140CO 0.00 0.15 -0.66 0.66 -1.61 0.00 0.00 178.31 176.86 1vsy h SER 4141N 0.00 0.56 -0.33 2.17 4.64 -1.78 -1.63 113.55 117.18 1vsy h SER 4141Ca -0.00 -0.34 -0.13 0.00 -0.47 0.00 0.00 61.79 60.85 1vsy h SER 4141Cb 0.40 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1vsy h SER 4141CO 0.02 1.07 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.67 1vsy h LEU 4142N 0.35 0.84 0.07 5.97 3.38 -1.73 -3.18 115.31 121.01 1vsy h LEU 4142Ca -0.02 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1vsy h LEU 4142Cb 1.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1vsy h LEU 4142CO 0.12 1.13 -0.04 -0.07 0.09 0.00 0.00 178.44 179.67 1vsy h LEU 4143N 0.56 -0.08 -0.72 1.67 3.38 -1.37 0.12 115.31 118.88 1vsy h LEU 4143Ca 0.05 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.78 1vsy h LEU 4143Cb 0.89 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1vsy h LEU 4143CO 0.08 0.35 -0.22 0.47 0.09 0.00 0.00 178.44 179.20 1vsy n ASP 4144N -4.93 -0.34 0.03 -0.43 8.00 -0.62 -1.58 116.55 116.68 1vsy n ASP 4144Ca -0.08 1.24 -0.09 0.00 0.71 0.00 0.00 54.79 56.56 1vsy n ASP 4144Cb 0.24 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1vsy n ASP 4144CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1vsy h HIS 4145N 0.00 -0.17 -0.38 1.24 2.76 -1.46 -3.38 115.15 113.76 1vsy h HIS 4145Ca 0.31 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1vsy h HIS 4145Cb 0.49 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1vsy h HIS 4145CO -0.58 0.26 0.00 0.72 -1.30 0.00 0.00 177.93 177.02 1vsy n HIS 4146N -4.88 0.50 -3.37 5.26 8.25 0.00 -4.93 115.22 116.07 1vsy n HIS 4146Ca -0.07 -0.25 -0.38 0.00 -0.26 0.00 0.00 57.72 56.76 1vsy n HIS 4146Cb 0.25 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 1vsy n HIS 4146CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1vsy s TYR 4147N -1.50 3.35 0.04 4.41 5.04 -0.61 -5.03 117.35 123.05 1vsy s TYR 4147Ca 0.36 0.61 0.07 0.00 -2.44 0.00 0.00 57.07 55.67 1vsy s TYR 4147Cb 0.20 -2.56 -0.03 0.00 0.35 0.00 0.00 41.96 39.92 1vsy s TYR 4147CO 0.27 -0.06 -0.19 1.03 -1.34 0.00 0.00 175.55 175.27 1vsy s ARG 4148N 1.48 2.03 0.00 4.97 3.00 -1.26 -5.00 118.95 124.17 1vsy s ARG 4148Ca 0.19 -1.00 0.30 0.00 0.00 0.00 0.00 55.73 55.22 1vsy s ARG 4148Cb -0.15 -2.17 1.40 0.00 0.00 0.00 0.00 34.95 34.03 1vsy s ARG 4148CO 0.08 0.54 1.95 -2.30 0.00 0.00 0.00 175.30 175.57 1vsy n PRO 4149N 1.54 0.84 -0.57 3.54 -0.02 -1.26 -3.17 135.00 135.90 1vsy n PRO 4149Ca -0.16 -0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.17 1vsy n PRO 4149Cb 0.52 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.84 1vsy n PRO 4149CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1vsy n ASP 4150N -0.88 4.46 -4.72 2.55 5.68 -1.26 -3.65 116.55 118.74 1vsy n ASP 4150Ca 0.17 -2.38 -0.42 0.00 -0.50 0.00 0.00 54.79 51.66 1vsy n ASP 4150Cb 0.24 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.64 1vsy n ASP 4150CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1vsy s MET 4151N -1.77 4.27 0.97 0.11 -1.94 -1.19 -4.77 119.30 114.98 1vsy s MET 4151Ca 0.48 2.24 -0.11 0.00 -1.71 0.00 0.00 55.69 56.59 1vsy s MET 4151Cb 0.31 -3.18 0.18 0.00 2.01 0.00 0.00 34.83 34.14 1vsy s MET 4151CO 0.24 -0.51 1.11 0.95 -0.01 0.00 0.00 175.02 176.80 1vsy s THR 4152N 0.94 2.21 0.40 2.05 -4.23 -1.26 -2.67 115.64 113.08 1vsy s THR 4152Ca 0.66 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1vsy s THR 4152Cb -0.41 -2.17 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1vsy s THR 4152CO 0.33 -0.09 1.99 0.74 -0.54 0.00 0.00 174.62 177.05 1vsy h THR 4153N -1.99 1.13 -0.10 3.99 2.02 -1.96 -1.95 112.91 114.05 1vsy h THR 4153Ca -0.49 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 1vsy h THR 4153Cb 1.28 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1vsy h THR 4153CO 0.46 0.16 -0.14 -0.08 0.37 0.00 0.00 175.52 176.29 1vsy h GLU 4154N 0.43 0.27 -0.37 6.66 4.57 -2.00 -2.45 114.58 121.70 1vsy h GLU 4154Ca 0.11 -0.16 0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1vsy h GLU 4154Cb 0.12 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1vsy h GLU 4154CO -0.01 0.72 0.28 0.93 -1.18 0.00 0.00 179.01 179.75 1vsy h GLU 4155N -0.16 0.00 0.03 1.92 5.08 -1.81 -2.24 114.58 117.41 1vsy h GLU 4155Ca 0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 1vsy h GLU 4155Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1vsy h GLU 4155CO 0.03 0.00 -1.37 0.78 -1.00 0.00 0.00 179.01 177.46 1vsy h GLY 4156N 0.00 0.08 0.99 -3.84 0.00 -1.24 -3.04 103.07 96.02 1vsy h GLY 4156Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1vsy h GLY 4156CO -0.00 0.19 0.30 1.41 0.00 0.00 0.00 176.54 178.44 1vsy h LEU 4157N 0.02 0.74 0.27 3.11 3.38 -0.92 -2.11 115.31 119.79 1vsy h LEU 4157Ca -0.16 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1vsy h LEU 4157Cb 1.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 1vsy h LEU 4157CO 0.12 0.64 -0.38 0.44 0.09 0.00 0.00 178.44 179.35 1vsy h ASP 4158N 0.79 -1.06 -0.32 -0.43 3.32 -1.52 -0.83 116.42 116.37 1vsy h ASP 4158Ca 0.20 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.45 1vsy h ASP 4158Cb 0.08 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1vsy h ASP 4158CO -0.03 -0.49 0.33 0.25 -1.72 0.00 0.00 179.24 177.58 1vsy h LEU 4159N -0.71 0.00 -0.04 1.55 5.85 -1.47 -1.60 115.31 118.89 1vsy h LEU 4159Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1vsy h LEU 4159Cb 0.67 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1vsy h LEU 4159CO -0.13 0.00 -0.36 0.25 -0.34 0.00 0.00 178.44 177.85 1vsy h LEU 4160N 0.00 0.39 -1.67 2.25 7.12 -0.48 -3.11 115.31 119.81 1vsy h LEU 4160Ca 0.15 -0.70 0.07 0.00 0.13 0.00 0.00 57.88 57.53 1vsy h LEU 4160Cb 0.82 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.80 1vsy h LEU 4160CO -0.00 1.03 0.33 0.50 -0.13 0.00 0.00 178.44 180.17 1vsy h LYS 4161N -0.22 0.39 0.00 1.25 3.64 -0.34 -1.01 116.57 120.28 1vsy h LYS 4161Ca -0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1vsy h LYS 4161Cb 1.05 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1vsy h LYS 4161CO 0.07 0.26 -0.42 1.25 -2.27 0.00 0.00 179.45 178.35 1vsy h LEU 4162N 0.40 0.00 0.00 5.20 5.85 -1.42 -1.29 115.31 124.05 1vsy h LEU 4162Ca 0.22 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1vsy h LEU 4162Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1vsy h LEU 4162CO -0.05 0.42 -0.14 0.00 -0.34 0.00 0.00 178.44 178.32 1vsy h VAL 4164N -0.67 0.79 -0.86 0.00 2.07 -1.34 -0.71 116.25 115.53 1vsy h VAL 4164Ca -0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1vsy h VAL 4164Cb 0.94 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1vsy h VAL 4164CO 0.03 0.13 0.52 1.56 0.02 0.00 0.00 177.57 179.82 1vsy h GLN 4165N 0.72 1.17 -0.32 1.57 4.20 -1.28 -0.77 115.11 120.40 1vsy h GLN 4165Ca 0.46 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.97 1vsy h GLN 4165Cb 0.59 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1vsy h GLN 4165CO -0.33 0.82 -0.19 1.49 -0.67 0.00 0.00 178.83 179.95 1vsy h GLU 4166N 1.18 0.60 -0.00 1.46 4.57 -1.03 -2.45 114.58 118.90 1vsy h GLU 4166Ca 0.31 -0.21 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 1vsy h GLU 4166Cb -0.04 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1vsy h GLU 4166CO -0.06 0.76 -0.52 -0.07 -1.18 0.00 0.00 179.01 177.94 1vsy h LEU 4167N 0.53 0.01 -0.43 1.64 3.38 -0.63 -1.57 115.31 118.24 1vsy h LEU 4167Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1vsy h LEU 4167Cb 0.63 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1vsy h LEU 4167CO 0.04 0.53 -0.26 -0.33 0.09 0.00 0.00 178.44 178.51 1vsy h GLU 4168N 0.01 0.00 0.00 1.13 5.08 -0.91 -2.81 114.58 117.08 1vsy h GLU 4168Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1vsy h GLU 4168Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1vsy h GLU 4168CO 0.07 0.26 -0.74 -0.22 -1.00 0.00 0.00 179.01 177.38 1vsy h LYS 4169N 0.00 0.00 -0.49 2.33 3.64 -1.08 -3.40 116.57 117.57 1vsy h LYS 4169Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vsy h LYS 4169Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1vsy h LYS 4169CO 0.03 1.00 0.00 0.54 -2.27 0.00 0.00 179.45 178.75 1vsy n ARG 4170N -4.51 2.92 -4.76 1.90 5.12 -0.62 -4.94 116.66 111.77 1vsy n ARG 4170Ca -0.23 -2.37 -0.33 0.00 -1.93 0.00 0.00 57.85 52.99 1vsy n ARG 4170Cb 0.60 -1.46 -0.16 0.00 -1.16 0.00 0.00 32.46 30.28 1vsy n ARG 4170CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1vsy s MET 4171N -1.20 3.14 0.45 5.56 1.75 -1.06 -5.02 119.30 122.91 1vsy s MET 4171Ca 0.35 -0.81 0.22 0.00 -1.25 0.00 0.00 55.69 54.21 1vsy s MET 4171Cb 0.20 -2.49 1.03 0.00 2.84 0.00 0.00 34.83 36.40 1vsy s MET 4171CO 0.21 0.07 1.89 -1.35 -0.65 0.00 0.00 175.02 175.19 1vsy h PRO 4172N 7.11 0.00 -6.66 4.11 0.11 -1.92 -3.44 132.00 131.31 1vsy h PRO 4172Ca -0.29 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 1vsy h PRO 4172Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1vsy h PRO 4172CO 0.54 0.24 0.37 -1.64 -0.21 0.00 0.00 178.00 177.30 1vsy s MET 4173N -3.91 4.77 -0.63 1.05 -1.94 -1.26 -5.02 119.30 112.36 1vsy s MET 4173Ca -0.01 1.49 -0.21 0.00 -1.71 0.00 0.00 55.69 55.25 1vsy s MET 4173Cb 0.12 -3.32 0.09 0.00 2.01 0.00 0.00 34.83 33.73 1vsy s MET 4173CO 0.64 0.35 0.84 0.34 -0.01 0.00 0.00 175.02 177.18 1vsy s ASP 4174N -0.57 6.18 0.00 3.03 2.15 -1.26 -4.89 116.67 121.30 1vsy s ASP 4174Ca 0.44 -1.21 0.25 0.00 0.43 0.00 0.00 52.55 52.46 1vsy s ASP 4174Cb -0.25 -2.36 0.62 0.00 -0.30 0.00 0.00 42.92 40.62 1vsy s ASP 4174CO 0.31 -1.29 1.50 2.22 -0.17 0.00 0.00 175.17 177.75 1vsy n PHE 4175N 7.04 0.10 -2.64 -5.34 -1.74 -1.26 -4.95 117.46 108.67 1vsy n PHE 4175Ca -0.07 -0.05 -0.18 0.00 -0.56 0.00 0.00 57.45 56.59 1vsy n PHE 4175Cb 0.44 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.45 1vsy n PHE 4175CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1vsy n LYS 4176N 0.79 -2.90 0.00 3.97 4.76 -1.26 -2.78 118.16 120.74 1vsy n LYS 4176Ca 0.17 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1vsy n LYS 4176Cb 0.47 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.38 1vsy n LYS 4176CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vsy n GLY 4177N -1.23 -2.40 3.39 0.72 0.00 -1.26 -4.36 105.19 100.05 1vsy n GLY 4177Ca -0.14 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 1vsy n GLY 4177CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 4178N -0.29 0.95 -0.15 1.61 -7.23 -1.26 -1.85 120.40 112.18 1vsy s VAL 4178Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1vsy s VAL 4178Cb 0.00 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.25 1vsy s VAL 4178CO 0.00 -0.03 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.94 1vsy s ILE 4179N -3.47 1.90 -0.21 -0.62 1.01 -0.49 -4.82 121.20 114.50 1vsy s ILE 4179Ca 0.36 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1vsy s ILE 4179Cb 0.08 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1vsy s ILE 4179CO 0.14 0.52 0.16 -0.69 0.00 0.00 0.00 174.94 175.07 1vsy s VAL 4180N 1.15 5.38 0.13 2.92 1.01 -1.26 -3.00 120.40 126.74 1vsy s VAL 4180Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.31 1vsy s VAL 4180Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1vsy s VAL 4180CO -0.08 0.40 -0.25 -0.54 0.00 0.00 0.00 175.10 174.63 1vsy s LYS 4181N 0.62 1.37 -0.04 2.72 1.02 -0.74 -2.07 119.74 122.61 1vsy s LYS 4181Ca 0.09 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 54.78 1vsy s LYS 4181Cb -0.12 -1.79 -0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1vsy s LYS 4181CO 0.01 0.42 -0.17 0.42 -0.92 0.00 0.00 175.35 175.11 1vsy s ILE 4182N -1.18 1.39 -0.19 2.17 1.01 0.01 -1.44 121.20 122.97 1vsy s ILE 4182Ca 0.14 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1vsy s ILE 4182Cb -0.10 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1vsy s ILE 4182CO 0.06 0.40 -0.18 -0.69 0.00 0.00 0.00 174.94 174.54 1vsy s VAL 4183N 0.03 2.05 0.00 2.92 1.01 -0.26 -1.80 120.40 124.35 1vsy s VAL 4183Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1vsy s VAL 4183Cb -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1vsy s VAL 4183CO 0.02 0.42 0.00 -0.90 0.00 0.00 0.00 175.10 174.64 1vsy n ASP 4184N 4.59 0.00 -0.24 3.32 5.75 -0.58 -1.62 116.55 127.77 1vsy n ASP 4184Ca -0.19 -0.66 0.18 0.00 -0.01 0.00 0.00 54.79 54.10 1vsy n ASP 4184Cb 0.48 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.06 1vsy n ASP 4184CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1vsy h LYS 4185N 0.00 0.44 -0.01 0.11 2.10 -1.96 0.13 116.57 117.37 1vsy h LYS 4185Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1vsy h LYS 4185Cb 0.00 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1vsy h LYS 4185CO 0.00 0.29 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.48 1vsy n ASP 4186N -4.52 0.79 0.00 7.07 8.00 -1.26 -5.03 116.55 121.60 1vsy n ASP 4186Ca 0.18 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1vsy n ASP 4186Cb 0.64 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1vsy n ASP 4186CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsy n GLY 4187N 1.11 0.21 3.23 0.44 0.00 0.44 -4.94 105.19 105.68 1vsy n GLY 4187Ca 0.21 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1vsy n GLY 4187CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsy s ILE 4188N 0.00 3.70 0.27 -0.61 1.01 -1.22 -1.52 121.20 122.83 1vsy s ILE 4188Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 60.65 59.35 1vsy s ILE 4188Cb 0.00 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1vsy s ILE 4188CO 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 174.94 174.47 1vsy s ARG 4189N 1.34 1.95 -0.14 2.79 1.70 -0.75 -4.97 118.95 120.87 1vsy s ARG 4189Ca 0.01 -1.61 0.02 0.00 -0.47 0.00 0.00 55.73 53.67 1vsy s ARG 4189Cb -0.21 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.24 1vsy s ARG 4189CO 0.01 0.35 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.25 1vsy s GLN 4190N -3.58 2.70 -0.61 3.89 0.74 -1.26 -0.81 119.66 120.73 1vsy s GLN 4190Ca 0.31 -0.73 -0.28 0.00 0.05 0.00 0.00 55.36 54.71 1vsy s GLN 4190Cb -0.06 -2.27 0.02 0.00 1.10 0.00 0.00 33.01 31.81 1vsy s GLN 4190CO 0.17 -0.10 1.31 0.08 -0.55 0.00 0.00 175.29 176.20 1vsy s VAL 4191N 1.05 3.85 -0.32 1.34 1.01 -0.88 -4.89 120.40 121.57 1vsy s VAL 4191Ca -0.03 0.69 0.11 0.00 0.00 0.00 0.00 61.98 62.76 1vsy s VAL 4191Cb -0.14 -4.65 0.75 0.00 0.00 0.00 0.00 36.38 32.33 1vsy s VAL 4191CO -0.05 -1.39 1.70 -0.90 0.00 0.00 0.00 175.10 174.46 1vsy n ASP 4192N 9.17 5.14 -3.51 3.32 3.85 -1.26 -4.28 116.55 128.98 1vsy n ASP 4192Ca 0.09 -2.98 -0.27 0.00 -0.71 0.00 0.00 54.79 50.92 1vsy n ASP 4192Cb 0.49 -0.70 -0.09 0.00 -1.35 0.00 0.00 41.12 39.47 1vsy n ASP 4192CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1vsy n ASP 4193N 0.30 2.42 -0.02 -1.12 5.68 -1.26 -4.95 116.55 117.60 1vsy n ASP 4193Ca 0.31 -3.12 -0.04 0.00 -0.50 0.00 0.00 54.79 51.44 1vsy n ASP 4193Cb 1.22 -0.68 -0.01 0.00 -1.14 0.00 0.00 41.12 40.51 1vsy n ASP 4193CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1vsy n PHE 4194N 1.50 0.00 0.16 2.11 7.35 -1.26 -4.27 117.46 123.04 1vsy n PHE 4194Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1vsy n PHE 4194Cb 0.42 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1vsy n PHE 4194CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1vsy n GLN 4195N -3.14 0.48 0.00 -4.13 3.00 -1.26 -2.25 117.38 110.07 1vsy n GLN 4195Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1vsy n GLN 4195Cb 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.54 1vsy n GLN 4195CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vsy n ALA 4196N 1.21 0.00 1.78 -1.58 0.00 -1.26 -5.20 120.51 115.45 1vsy n ALA 4196Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1vsy n ALA 4196Cb 0.24 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.53 1vsy n ALA 4196CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44