#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 -4.49 6.12 2.03 -1.26 -4.84 116.55 114.11 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 5.05 -0.27 5.18 1.01 -1.26 -4.70 121.20 126.21 1vsy s ILE 4002Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1vsy s ILE 4002Cb 0.00 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.48 1vsy s ILE 4002CO 0.00 -0.44 -0.09 -0.63 0.00 0.00 0.00 174.94 173.78 1vsy s ILE 4003N 2.23 2.18 0.36 2.92 -1.09 -1.26 -1.24 121.20 125.30 1vsy s ILE 4003Ca 0.14 -1.74 0.09 0.00 -2.23 0.00 0.00 60.65 56.90 1vsy s ILE 4003Cb -0.17 -2.34 -0.07 0.00 -1.58 0.00 0.00 42.46 38.31 1vsy s ILE 4003CO 0.14 -0.12 -0.07 -0.76 -1.23 0.00 0.00 174.94 172.91 1vsy s LEU 4004N 1.07 2.76 -0.29 2.97 1.43 -0.36 -2.64 118.68 123.62 1vsy s LEU 4004Ca -0.06 -1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 51.56 1vsy s LEU 4004Cb -0.20 -0.97 0.17 0.00 0.03 0.00 0.00 46.19 45.22 1vsy s LEU 4004CO -0.05 -0.27 1.27 -0.83 0.23 0.00 0.00 176.35 176.70 1vsy s GLY 4005N -3.63 0.19 -0.04 -3.19 0.00 -0.86 -1.66 107.32 98.13 1vsy s GLY 4005Ca 0.33 3.25 0.01 0.00 0.00 0.00 0.00 44.72 48.31 1vsy s GLY 4005CO 0.17 2.00 -0.02 -1.50 0.00 0.00 0.00 173.10 173.75 1vsy s ILE 4006N 0.24 0.35 -0.19 0.90 2.07 0.19 -0.79 121.20 123.97 1vsy s ILE 4006Ca 0.04 -0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.09 1vsy s ILE 4006Cb -0.05 -0.41 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1vsy s ILE 4006CO -0.12 0.18 0.45 -0.60 -1.91 0.00 0.00 174.94 172.94 1vsy s ARG 4007N 0.95 4.20 0.00 3.50 3.00 0.67 -0.57 118.95 130.69 1vsy s ARG 4007Ca -0.11 0.31 0.00 0.00 -1.00 0.00 0.00 55.73 54.93 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 -0.01 -0.05 0.00 1.33 0.00 0.00 0.00 175.30 176.57 1vsy n VAL 4008N 4.32 0.00 -0.09 7.11 0.24 0.49 -4.81 118.33 125.60 1vsy n VAL 4008Ca -0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.07 1vsy n VAL 4008Cb 0.51 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.28 7.34 4.15 -1.57 -3.42 115.11 121.32 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 0.77 0.00 -0.25 -1.93 0.00 0.00 178.83 177.42 1vsy n ASP 4010N -4.52 2.86 -3.84 -0.69 8.00 -1.26 -4.48 116.55 112.61 1vsy n ASP 4010Ca -0.21 -2.11 0.03 0.00 0.71 0.00 0.00 54.79 53.21 1vsy n ASP 4010Cb 0.53 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.12 -0.00 0.03 -2.24 1.04 -1.26 -4.50 113.70 105.65 1vsy s SER 4011Ca 0.21 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.56 1vsy s SER 4011Cb 0.12 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1vsy s SER 4011CO 0.12 -0.20 -0.15 -0.69 0.98 0.00 0.00 173.24 173.31 1vsy s VAL 4012N -2.05 1.19 -0.06 5.02 1.01 -0.68 -0.38 120.40 124.45 1vsy s VAL 4012Ca 0.28 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1vsy s VAL 4012Cb 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1vsy s VAL 4012CO -0.02 0.09 -0.16 -0.63 0.00 0.00 0.00 175.10 174.38 1vsy s ILE 4013N -0.75 1.39 -0.11 2.22 1.01 0.27 -1.19 121.20 124.03 1vsy s ILE 4013Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1vsy s ILE 4013Cb -0.08 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1vsy s ILE 4013CO 0.01 0.41 -0.18 -0.76 0.00 0.00 0.00 174.94 174.42 1vsy s LEU 4014N 0.34 1.85 0.09 2.97 1.43 -0.63 -0.64 118.68 124.10 1vsy s LEU 4014Ca -0.10 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1vsy s LEU 4014Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1vsy s LEU 4014CO 0.04 0.05 0.11 0.00 0.23 0.00 0.00 176.35 176.77 1vsy s ALA 4015N 0.87 3.62 -0.29 4.21 0.00 -0.66 -1.68 121.76 127.83 1vsy s ALA 4015Ca -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1vsy s ALA 4015Cb -0.15 -1.47 0.16 0.00 0.00 0.00 0.00 23.12 21.66 1vsy s ALA 4015CO -0.00 0.71 0.57 -1.12 0.00 0.00 0.00 175.76 175.91 1vsy s SER 4016N -2.55 -1.03 0.38 0.00 0.01 -1.14 -1.22 113.70 108.15 1vsy s SER 4016Ca 0.30 0.96 -0.25 0.00 1.31 0.00 0.00 55.95 58.28 1vsy s SER 4016Cb -0.12 2.00 -0.12 0.00 0.21 0.00 0.00 66.02 67.99 1vsy s SER 4016CO 0.23 -0.25 0.89 -1.54 0.41 0.00 0.00 173.24 172.97 1vsy n SER 4017N 5.42 0.69 -0.66 2.44 3.41 -0.38 -1.28 113.62 123.26 1vsy n SER 4017Ca -0.04 1.05 0.11 0.00 -0.26 0.00 0.00 58.87 59.72 1vsy n SER 4017Cb 0.50 -1.27 0.34 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.43 1.87 -4.29 4.33 5.02 -0.75 -4.67 118.16 120.10 1vsy n LYS 4018Ca 0.10 -1.31 -0.35 0.00 -2.02 0.00 0.00 58.31 54.73 1vsy n LYS 4018Cb 0.37 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.75 3.37 -0.21 7.82 0.00 -1.13 -1.40 121.76 128.47 1vsy s ALA 4019Ca 0.33 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1vsy s ALA 4019Cb 0.18 -1.53 0.05 0.00 0.00 0.00 0.00 23.12 21.82 1vsy s ALA 4019CO 0.27 0.61 -0.10 0.08 0.00 0.00 0.00 175.76 176.62 1vsy s VAL 4020N -0.95 1.69 -0.14 0.00 1.01 -0.94 -4.94 120.40 116.12 1vsy s VAL 4020Ca 0.15 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1vsy s VAL 4020Cb -0.11 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1vsy s VAL 4020CO 0.04 0.12 -0.13 -0.89 0.00 0.00 0.00 175.10 174.25 1vsy s THR 4021N 1.37 3.02 -0.86 3.92 2.01 -1.26 -0.58 115.64 123.25 1vsy s THR 4021Ca -0.02 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1vsy s THR 4021Cb -0.17 -2.28 0.24 0.00 0.01 0.00 0.00 72.50 70.31 1vsy s THR 4021CO -0.08 0.51 0.90 0.54 -0.69 0.00 0.00 174.62 175.81 1vsy n ARG 4022N 3.72 2.94 0.00 4.92 5.12 -0.76 -4.96 116.66 127.65 1vsy n ARG 4022Ca -0.18 -4.55 0.00 0.00 -1.93 0.00 0.00 57.85 51.19 1vsy n ARG 4022Cb 0.52 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.44 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 1.71 1.56 0.12 -0.13 0.00 -1.26 -3.71 105.19 103.48 1vsy n GLY 4023Ca 0.25 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 1.47 -4.14 -0.61 3.06 -1.26 -4.98 119.36 112.90 1vsy n ILE 4024Ca 0.00 -0.66 -0.30 0.00 -2.50 0.00 0.00 62.75 59.29 1vsy n ILE 4024Cb 0.00 -1.14 -0.08 0.00 0.54 0.00 0.00 39.64 38.96 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 -6.23 5.01 -0.40 9.51 0.01 -1.24 -5.09 113.70 115.27 1vsy s SER 4025Ca -0.27 -0.17 -0.23 0.00 1.31 0.00 0.00 55.95 56.59 1vsy s SER 4025Cb 0.08 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 65.13 1vsy s SER 4025CO 0.68 0.18 0.78 -0.69 0.41 0.00 0.00 173.24 174.60 1vsy s VAL 4026N -1.29 4.70 0.03 3.43 1.01 -1.26 -1.82 120.40 125.19 1vsy s VAL 4026Ca 0.25 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 1vsy s VAL 4026Cb -0.12 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.72 1vsy s VAL 4026CO 0.18 -0.55 0.95 -0.07 0.00 0.00 0.00 175.10 175.61 1vsy h LEU 4027N 9.90 0.46 -7.86 3.92 3.38 -1.22 -3.46 115.31 120.43 1vsy h LEU 4027Ca -0.25 -0.57 -0.27 0.00 0.09 0.00 0.00 57.88 56.88 1vsy h LEU 4027Cb 1.09 -0.15 -0.27 0.00 0.09 0.00 0.00 40.66 41.42 1vsy h LEU 4027CO 0.93 1.47 -0.73 -0.75 0.09 0.00 0.00 178.44 179.44 1vsy s LYS 4028N -2.63 0.24 -0.22 1.13 2.20 -1.19 -5.02 119.74 114.25 1vsy s LYS 4028Ca -0.08 -0.19 0.14 0.00 -0.36 0.00 0.00 55.97 55.48 1vsy s LYS 4028Cb 0.06 -0.18 0.58 0.00 -1.51 0.00 0.00 37.83 36.78 1vsy s LYS 4028CO 0.87 0.04 1.51 -0.40 -0.36 0.00 0.00 175.35 177.01 1vsy n ASP 4029N 2.76 3.91 -2.75 1.43 5.68 -1.26 -2.22 116.55 124.10 1vsy n ASP 4029Ca -0.14 -3.17 -0.09 0.00 -0.50 0.00 0.00 54.79 50.89 1vsy n ASP 4029Cb 0.58 -0.60 0.08 0.00 -1.14 0.00 0.00 41.12 40.05 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 -0.50 -2.30 -4.41 -1.12 3.41 -0.49 -4.79 113.62 103.42 1vsy n SER 4030Ca 0.27 -3.64 -0.39 0.00 -0.26 0.00 0.00 58.87 54.85 1vsy n SER 4030Cb 1.01 1.84 -0.12 0.00 -0.26 0.00 0.00 64.21 66.68 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 -1.35 5.55 -0.72 4.04 2.15 -0.65 -5.03 116.67 120.65 1vsy s ASP 4031Ca 0.24 -0.66 -0.26 0.00 0.43 0.00 0.00 52.55 52.29 1vsy s ASP 4031Cb 0.28 -1.99 -0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1vsy s ASP 4031CO -0.07 -0.24 1.66 -0.62 -0.17 0.00 0.00 175.17 175.72 1vsy s ASP 4032N 1.59 5.63 -0.75 -0.34 2.15 -1.26 -4.49 116.67 119.20 1vsy s ASP 4032Ca 0.04 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 52.78 1vsy s ASP 4032Cb -0.18 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 1vsy s ASP 4032CO 0.06 -2.19 2.88 0.29 -0.17 0.00 0.00 175.17 176.04 1vsy n LYS 4033N 9.18 3.09 -3.64 4.34 5.02 -1.26 -4.82 118.16 130.07 1vsy n LYS 4033Ca 0.18 -2.34 -0.08 0.00 -2.02 0.00 0.00 58.31 54.06 1vsy n LYS 4033Cb 0.50 -2.33 -0.07 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.65 0.00 -0.10 -0.18 -1.32 -1.26 -2.52 115.64 109.61 1vsy s THR 4034Ca 0.61 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.06 1vsy s THR 4034Cb 0.29 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.24 1vsy s THR 4034CO -0.12 0.00 0.02 -0.13 -2.21 0.00 0.00 174.62 172.18 1vsy s ARG 4035N 1.18 3.15 -0.22 7.08 1.81 -1.04 -4.97 118.95 125.94 1vsy s ARG 4035Ca -0.06 -0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 53.28 1vsy s ARG 4035Cb -0.05 -2.88 0.01 0.00 -0.45 0.00 0.00 34.95 31.58 1vsy s ARG 4035CO -0.13 0.66 1.06 -1.14 -0.68 0.00 0.00 175.30 175.07 1vsy s GLN 4036N -0.74 4.26 0.00 3.54 0.74 -1.26 -2.46 119.66 123.74 1vsy s GLN 4036Ca 0.12 1.39 0.26 0.00 0.05 0.00 0.00 55.36 57.18 1vsy s GLN 4036Cb -0.12 -3.65 0.68 0.00 1.10 0.00 0.00 33.01 31.02 1vsy s GLN 4036CO 0.02 -0.64 1.54 1.28 -0.55 0.00 0.00 175.29 176.94 1vsy n LEU 4037N 6.35 0.43 0.00 3.68 4.77 -0.35 -4.91 117.00 126.97 1vsy n LEU 4037Ca 0.12 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1vsy n LEU 4037Cb 0.46 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1vsy n LEU 4037CO 0.52 0.10 0.00 -1.54 -1.33 0.00 0.00 177.39 175.15 1vsy n SER 4038N -1.44 0.00 -0.05 -1.43 3.41 -1.18 -4.25 113.62 108.68 1vsy n SER 4038Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1vsy n SER 4038Cb 0.33 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 -0.98 -0.02 -0.73 4.33 -0.02 -1.26 -0.64 135.00 135.68 1vsy n PRO 4039Ca 0.00 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1vsy n PRO 4039Cb 0.00 -0.30 0.20 0.00 -0.02 0.00 0.00 33.50 33.38 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 0.47 -3.67 6.00 8.25 -1.26 -3.49 115.22 117.32 1vsy n HIS 4040Ca 0.02 -1.57 -0.13 0.00 -0.26 0.00 0.00 57.72 55.77 1vsy n HIS 4040Cb 0.06 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 30.70 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 -3.30 -0.40 0.07 1.59 2.01 0.18 -1.08 115.64 114.71 1vsy s THR 4041Ca 0.41 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.78 1vsy s THR 4041Cb 0.38 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.42 1vsy s THR 4041CO -0.05 0.12 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.54 1vsy s LEU 4042N 2.38 2.34 -0.19 4.42 2.96 0.67 -1.21 118.68 130.05 1vsy s LEU 4042Ca 0.01 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1vsy s LEU 4042Cb -0.12 -1.33 0.06 0.00 0.50 0.00 0.00 46.19 45.29 1vsy s LEU 4042CO -0.08 0.23 0.02 -0.32 -1.32 0.00 0.00 176.35 174.88 1vsy s MET 4043N -1.58 0.76 0.41 1.98 -2.45 -1.03 -0.97 119.30 116.43 1vsy s MET 4043Ca 0.13 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1vsy s MET 4043Cb -0.10 -2.07 -0.04 0.00 1.25 0.00 0.00 34.83 33.87 1vsy s MET 4043CO 0.04 -0.60 0.68 -1.54 1.05 0.00 0.00 175.02 174.65 1vsy s SER 4044N 1.82 6.31 -0.12 1.11 1.04 0.09 -2.50 113.70 121.44 1vsy s SER 4044Ca -0.01 0.75 -0.29 0.00 0.48 0.00 0.00 55.95 56.88 1vsy s SER 4044Cb -0.17 -2.17 0.08 0.00 0.10 0.00 0.00 66.02 63.87 1vsy s SER 4044CO -0.08 -0.43 0.77 0.72 0.98 0.00 0.00 173.24 175.20 1vsy s PHE 4045N -2.51 -0.62 0.19 5.02 -0.12 -1.05 -0.95 117.98 117.95 1vsy s PHE 4045Ca 0.45 1.18 -0.15 0.00 -0.05 0.00 0.00 56.93 58.36 1vsy s PHE 4045Cb -0.10 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1vsy s PHE 4045CO 0.39 -0.50 0.46 0.00 -0.05 0.00 0.00 175.22 175.52 1vsy s ALA 4046N -0.81 -0.64 0.00 1.99 0.00 -0.59 -4.87 121.76 116.84 1vsy s ALA 4046Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1vsy s ALA 4046Cb -0.01 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1vsy s ALA 4046CO 0.06 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1vsy n GLY 4047N -0.31 0.52 3.41 0.00 0.00 -1.26 -1.07 105.19 106.48 1vsy n GLY 4047Ca -0.09 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.71 -4.82 120.64 120.28 1vsy n GLU 4048Ca 0.00 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1vsy n GLU 4048Cb 0.00 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.52 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 -3.76 -0.31 0.00 4.31 0.00 -1.26 -2.83 120.51 116.66 1vsy n ALA 4049Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1vsy n ALA 4049Cb 0.55 0.05 -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 0.07 0.28 0.00 0.00 -1.99 -3.35 103.07 98.08 1vsy h GLY 4050Ca 0.00 -0.18 0.21 0.00 0.00 0.00 0.00 47.33 47.37 1vsy h GLY 4050CO 0.00 0.15 0.60 -0.55 0.00 0.00 0.00 176.54 176.75 1vsy h ASP 4051N 0.02 0.35 0.00 0.19 3.32 -1.92 -3.10 116.42 115.28 1vsy h ASP 4051Ca -0.26 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1vsy h ASP 4051Cb 1.99 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1vsy h ASP 4051CO 0.10 0.13 0.00 1.07 -1.72 0.00 0.00 179.24 178.82 1vsy n THR 4052N -4.48 0.00 -0.08 0.35 5.66 -1.13 -2.73 114.28 111.87 1vsy n THR 4052Ca 0.19 1.33 -0.08 0.00 -3.05 0.00 0.00 64.05 62.44 1vsy n THR 4052Cb 0.74 -2.27 -0.01 0.00 -1.55 0.00 0.00 70.33 67.23 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 0.34 -1.00 1.08 2.07 -1.80 -2.74 116.25 114.20 1vsy h VAL 4053Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1vsy h VAL 4053Cb 0.00 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 1vsy h VAL 4053CO 0.00 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.78 1vsy h GLN 4054N -0.23 0.49 0.54 1.57 1.08 -1.60 -0.79 115.11 116.16 1vsy h GLN 4054Ca 0.16 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1vsy h GLN 4054Cb 0.48 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1vsy h GLN 4054CO -0.45 0.32 -0.26 0.35 -0.95 0.00 0.00 178.83 177.85 1vsy h PHE 4055N 0.51 -0.67 -0.96 2.96 3.57 -1.29 -2.82 116.94 118.24 1vsy h PHE 4055Ca 0.57 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 62.28 1vsy h PHE 4055Cb 1.27 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 40.15 1vsy h PHE 4055CO -0.00 -0.37 0.62 0.00 -2.23 0.00 0.00 178.31 176.33 1vsy h ALA 4056N -1.03 2.16 -0.12 2.41 0.00 -1.01 -0.35 119.26 121.33 1vsy h ALA 4056Ca -0.07 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1vsy h ALA 4056Cb 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1vsy h ALA 4056CO 0.12 -0.49 -0.78 0.93 0.00 0.00 0.00 179.25 179.03 1vsy h GLU 4057N 0.44 0.66 -0.80 0.00 5.08 -1.28 -1.12 114.58 117.55 1vsy h GLU 4057Ca 0.52 -0.55 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1vsy h GLU 4057Cb 1.24 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 1vsy h GLU 4057CO -0.23 1.17 0.50 -0.92 -1.00 0.00 0.00 179.01 178.52 1vsy h TYR 4058N 0.44 0.92 -0.43 4.33 3.20 -0.84 0.20 116.97 124.80 1vsy h TYR 4058Ca -0.05 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1vsy h TYR 4058Cb 1.40 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1vsy h TYR 4058CO 0.07 0.49 -0.13 0.82 -1.64 0.00 0.00 178.16 177.77 1vsy h ILE 4059N 0.93 1.27 -0.14 1.81 1.08 -1.21 -1.97 117.51 119.29 1vsy h ILE 4059Ca 0.34 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1vsy h ILE 4059Cb 0.12 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1vsy h ILE 4059CO -0.15 0.42 -0.08 -0.61 -0.69 0.00 0.00 178.15 177.05 1vsy h GLN 4060N 0.68 -0.07 0.20 2.37 4.15 -0.66 -1.50 115.11 120.27 1vsy h GLN 4060Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1vsy h GLN 4060Cb 0.67 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 1vsy h GLN 4060CO 0.05 -0.05 -0.33 0.00 -1.93 0.00 0.00 178.83 176.57 1vsy h ALA 4061N 1.05 -0.62 0.00 3.38 0.00 -0.91 -0.18 119.26 121.97 1vsy h ALA 4061Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vsy h ALA 4061Cb 0.19 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1vsy h ALA 4061CO -0.18 -0.90 -0.01 -0.91 0.00 0.00 0.00 179.25 177.25 1vsy h ASN 4062N -0.60 0.00 0.17 0.00 4.21 -0.98 -0.23 115.58 118.15 1vsy h ASN 4062Ca 0.01 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.17 1vsy h ASN 4062Cb 0.60 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.75 1vsy h ASN 4062CO -0.15 0.01 -2.12 -0.38 -1.29 0.00 0.00 177.43 173.51 1vsy n ILE 4063N -3.17 1.56 0.28 2.81 2.08 -0.60 -2.72 119.36 119.60 1vsy n ILE 4063Ca -0.02 -0.74 0.15 0.00 0.56 0.00 0.00 62.75 62.71 1vsy n ILE 4063Cb 0.14 -1.10 0.77 0.00 -0.75 0.00 0.00 39.64 38.70 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 0.02 0.00 0.23 0.38 4.20 -0.60 -0.63 115.11 118.70 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 2.06 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.88 1vsy h GLN 4064CO 0.03 0.08 -1.33 1.25 -0.67 0.00 0.00 178.83 178.19 1vsy h LEU 4065N 0.00 0.76 -0.75 1.46 5.85 -1.12 -2.00 115.31 119.51 1vsy h LEU 4065Ca -0.00 -0.93 -0.13 0.00 0.84 0.00 0.00 57.88 57.66 1vsy h LEU 4065Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1vsy h LEU 4065CO 0.01 1.64 -0.46 0.22 -0.34 0.00 0.00 178.44 179.51 1vsy h TYR 4066N 0.02 0.46 0.62 1.25 5.03 -1.39 -1.70 116.97 121.26 1vsy h TYR 4066Ca -0.23 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 60.91 1vsy h TYR 4066Cb 2.05 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 40.24 1vsy h TYR 4066CO 0.15 0.77 -0.32 0.77 -1.32 0.00 0.00 178.16 178.21 1vsy h SER 4067N 0.31 -0.77 -0.52 -2.11 0.02 -1.18 -2.69 113.55 106.60 1vsy h SER 4067Ca 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1vsy h SER 4067Cb 0.93 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1vsy h SER 4067CO 0.08 -0.53 0.29 0.40 -1.14 0.00 0.00 176.83 175.93 1vsy h ILE 4068N -0.86 1.17 -0.07 3.27 5.03 -1.31 0.84 117.51 125.59 1vsy h ILE 4068Ca -0.08 -0.44 -0.05 0.00 -0.12 0.00 0.00 64.86 64.17 1vsy h ILE 4068Cb 0.67 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 1vsy h ILE 4068CO 0.12 0.19 -0.14 -0.09 -0.68 0.00 0.00 178.15 177.55 1vsy h ARG 4069N 0.75 0.21 -0.64 2.37 2.43 -1.28 -3.26 114.38 114.96 1vsy h ARG 4069Ca 0.19 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1vsy h ARG 4069Cb 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1vsy h ARG 4069CO -0.03 0.73 0.00 0.39 -1.51 0.00 0.00 179.97 179.55 1vsy n GLU 4070N -4.62 2.67 -3.46 0.20 -0.58 -1.02 -4.95 120.64 108.89 1vsy n GLU 4070Ca -0.08 -2.56 -0.22 0.00 -0.42 0.00 0.00 57.16 53.89 1vsy n GLU 4070Cb 0.37 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.26 -4.05 1.62 2.03 0.28 -4.90 116.55 110.85 1vsy n ASP 4071Ca 0.23 -0.38 -0.21 0.00 0.52 0.00 0.00 54.79 54.95 1vsy n ASP 4071Cb 0.61 -1.95 -0.15 0.00 -0.72 0.00 0.00 41.12 38.91 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 -2.74 1.09 -0.60 -0.67 5.04 -1.18 -5.05 117.35 113.25 1vsy s TYR 4072Ca 0.41 -0.24 -0.24 0.00 -2.44 0.00 0.00 57.07 54.55 1vsy s TYR 4072Cb -0.23 -0.73 0.05 0.00 0.35 0.00 0.00 41.96 41.39 1vsy s TYR 4072CO 0.50 -0.06 1.01 -2.00 -1.34 0.00 0.00 175.55 173.66 1vsy s GLU 4073N -0.08 3.28 0.14 4.97 2.12 -1.26 -4.26 118.70 123.59 1vsy s GLU 4073Ca 0.01 -0.36 -0.35 0.00 0.36 0.00 0.00 54.97 54.64 1vsy s GLU 4073Cb -0.07 -4.11 -0.15 0.00 0.26 0.00 0.00 34.13 30.06 1vsy s GLU 4073CO 0.00 -1.66 1.41 -0.11 -0.54 0.00 0.00 175.26 174.36 1vsy n LEU 4074N 7.84 2.29 -4.76 2.70 0.00 -1.26 -4.91 117.00 118.90 1vsy n LEU 4074Ca 0.01 1.11 -0.37 0.00 0.00 0.00 0.00 56.01 56.76 1vsy n LEU 4074Cb 0.47 -1.30 0.01 0.00 0.00 0.00 0.00 43.42 42.60 1vsy n LEU 4074CO 0.65 -0.74 0.86 -0.94 0.00 0.00 0.00 177.39 177.22 1vsy s SER 4075N 0.57 5.78 0.17 1.96 1.04 -1.26 -4.77 113.70 117.19 1vsy s SER 4075Ca 0.80 2.40 -0.22 0.00 0.48 0.00 0.00 55.95 59.40 1vsy s SER 4075Cb -0.82 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 62.77 1vsy s SER 4075CO 0.44 -1.19 1.60 -0.65 0.98 0.00 0.00 173.24 174.42 1vsy h PRO 4076N 1.65 -0.22 -0.95 4.02 0.11 -1.90 -0.51 132.00 134.19 1vsy h PRO 4076Ca -0.50 0.02 0.28 0.00 0.11 0.00 0.00 66.00 65.91 1vsy h PRO 4076Cb 1.27 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.28 1vsy h PRO 4076CO 0.58 -0.15 0.43 0.37 -0.21 0.00 0.00 178.00 179.03 1vsy h GLN 4077N -0.23 0.28 -0.01 1.05 -0.00 -1.97 0.79 115.11 115.02 1vsy h GLN 4077Ca 0.18 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.79 1vsy h GLN 4077Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1vsy h GLN 4077CO -0.55 0.18 -0.10 0.00 0.00 0.00 0.00 178.83 178.36 1vsy h ALA 4078N 1.82 0.03 -0.84 3.38 0.00 -1.52 -1.29 119.26 120.84 1vsy h ALA 4078Ca 0.66 -0.40 0.13 0.00 0.00 0.00 0.00 54.91 55.30 1vsy h ALA 4078Cb 1.43 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 1vsy h ALA 4078CO -0.63 -0.04 0.44 0.28 0.00 0.00 0.00 179.25 179.31 1vsy h VAL 4079N -0.59 0.78 0.63 0.00 2.07 -0.75 -1.09 116.25 117.29 1vsy h VAL 4079Ca -0.01 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1vsy h VAL 4079Cb 0.83 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1vsy h VAL 4079CO 0.02 0.12 -0.36 -1.28 0.02 0.00 0.00 177.57 176.09 1vsy h SER 4080N 0.66 -0.90 0.17 0.57 0.87 -0.81 -1.06 113.55 113.06 1vsy h SER 4080Ca 0.44 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1vsy h SER 4080Cb 0.57 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1vsy h SER 4080CO -0.33 -0.57 0.00 -0.24 -0.53 0.00 0.00 176.83 175.16 1vsy n SER 4081N -4.67 0.47 -0.08 6.23 2.88 -0.49 -0.93 113.62 117.03 1vsy n SER 4081Ca -0.11 0.69 -0.14 0.00 -1.33 0.00 0.00 58.87 57.97 1vsy n SER 4081Cb 0.38 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 62.97 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 -0.97 0.66 3.57 -1.02 -3.11 116.94 116.07 1vsy h PHE 4082Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1vsy h PHE 4082Cb 0.08 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1vsy h PHE 4082CO 0.00 0.99 0.59 0.28 -2.23 0.00 0.00 178.31 177.94 1vsy h VAL 4083N -1.00 0.89 0.10 1.41 2.07 0.11 -1.30 116.25 118.53 1vsy h VAL 4083Ca -0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1vsy h VAL 4083Cb 0.96 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1vsy h VAL 4083CO -0.06 0.17 -0.08 -0.09 0.02 0.00 0.00 177.57 177.53 1vsy h ARG 4084N 0.93 -0.18 -0.71 1.57 2.43 -1.17 -2.51 114.38 114.74 1vsy h ARG 4084Ca 0.49 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.68 1vsy h ARG 4084Cb 0.51 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1vsy h ARG 4084CO -0.28 -0.12 0.47 -0.56 -1.51 0.00 0.00 179.97 177.97 1vsy h GLN 4085N -0.19 0.90 0.00 0.20 3.07 -1.29 0.33 115.11 118.13 1vsy h GLN 4085Ca -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1vsy h GLN 4085Cb 0.17 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.52 1vsy h GLN 4085CO -0.01 0.59 -0.16 0.93 0.09 0.00 0.00 178.83 180.28 1vsy h GLU 4086N 0.93 0.00 0.17 0.06 4.39 -0.98 -0.49 114.58 118.67 1vsy h GLU 4086Ca 0.27 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.62 1vsy h GLU 4086Cb -0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1vsy h GLU 4086CO -0.06 0.16 -1.73 -0.07 -1.16 0.00 0.00 179.01 176.15 1vsy h LEU 4087N 0.00 0.57 -1.66 1.33 3.38 -0.79 -3.26 115.31 114.88 1vsy h LEU 4087Ca -0.00 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1vsy h LEU 4087Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1vsy h LEU 4087CO 0.02 1.77 -0.20 0.00 0.09 0.00 0.00 178.44 180.13 1vsy h ALA 4088N 0.08 1.42 -0.38 1.53 0.00 -0.69 -2.03 119.26 119.20 1vsy h ALA 4088Ca -0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1vsy h ALA 4088Cb 2.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1vsy h ALA 4088CO 0.15 0.25 -0.33 0.87 0.00 0.00 0.00 179.25 180.19 1vsy h LYS 4089N 0.00 0.89 -0.01 0.00 1.57 -1.22 -3.25 116.57 114.55 1vsy h LYS 4089Ca -0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1vsy h LYS 4089Cb 0.42 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1vsy h LYS 4089CO 0.03 1.10 -0.02 -1.13 -0.57 0.00 0.00 179.45 178.86 1vsy n SER 4090N -4.12 0.83 0.03 0.86 3.41 -0.80 -3.73 113.62 110.09 1vsy n SER 4090Ca -0.02 -1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 1vsy n SER 4090Cb 0.51 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.27 1.24 -0.60 -1.33 6.09 -1.49 -3.21 117.51 119.47 1vsy h ILE 4091Ca 0.00 -2.99 0.00 0.00 -1.37 0.00 0.00 64.86 60.50 1vsy h ILE 4091Cb 0.31 2.66 0.00 0.00 0.47 0.00 0.00 36.82 40.26 1vsy h ILE 4091CO 0.00 0.75 0.00 -1.14 -3.07 0.00 0.00 178.15 174.69 1vsy n ARG 4092N -3.25 4.05 -1.86 2.19 0.63 -1.25 -4.88 116.66 112.28 1vsy n ARG 4092Ca -0.11 -2.96 -0.24 0.00 -0.92 0.00 0.00 57.85 53.62 1vsy n ARG 4092Cb 1.01 -2.00 0.16 0.00 0.45 0.00 0.00 32.46 32.08 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 0.88 0.41 0.03 6.15 3.41 -1.21 -5.06 113.62 118.23 1vsy n SER 4093Ca 0.26 -1.59 -0.01 0.00 -0.26 0.00 0.00 58.87 57.27 1vsy n SER 4093Cb 0.98 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1vsy n SER 4093CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1vsy h ARG 4094N 0.00 -0.08 -4.80 4.33 3.08 -1.93 -3.39 114.38 111.59 1vsy h ARG 4094Ca -0.35 0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.03 1vsy h ARG 4094Cb 1.05 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.86 1vsy h ARG 4094CO 0.28 -0.05 -0.61 0.50 -1.07 0.00 0.00 179.97 179.02 1vsy s ARG 4095N -2.68 3.13 -0.04 0.04 3.52 -1.26 -5.09 118.95 116.58 1vsy s ARG 4095Ca -0.01 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.45 1vsy s ARG 4095Cb 0.00 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1vsy s ARG 4095CO 0.03 -0.44 1.03 -2.14 -0.81 0.00 0.00 175.30 172.97 1vsy s PRO 4096N 1.52 4.48 -0.23 5.12 0.02 -1.25 -4.98 135.00 139.67 1vsy s PRO 4096Ca 0.03 1.46 -0.40 0.00 0.02 0.00 0.00 61.00 62.11 1vsy s PRO 4096Cb -0.17 -3.49 -0.16 0.00 0.02 0.00 0.00 34.50 30.70 1vsy s PRO 4096CO 0.03 -0.20 1.65 0.66 -0.33 0.00 0.00 177.00 178.82 1vsy n TYR 4097N 4.41 1.91 -3.30 6.54 4.01 -1.26 -4.89 117.16 124.60 1vsy n TYR 4097Ca 0.08 0.62 -0.39 0.00 -0.16 0.00 0.00 57.90 58.05 1vsy n TYR 4097Cb 0.49 -2.41 -0.03 0.00 -0.31 0.00 0.00 39.34 37.09 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 4.72 3.52 -4.39 -0.72 6.02 -1.26 -4.89 117.38 120.38 1vsy n GLN 4098Ca 0.25 -4.54 -0.20 0.00 -0.01 0.00 0.00 57.00 52.51 1vsy n GLN 4098Cb 0.12 -2.45 -0.15 0.00 1.02 0.00 0.00 30.24 28.78 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 -2.13 0.76 0.00 5.09 1.01 -1.26 -1.73 120.40 122.14 1vsy s VAL 4099Ca 0.32 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1vsy s VAL 4099Cb 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1vsy s VAL 4099CO -0.01 0.23 -0.07 0.20 0.00 0.00 0.00 175.10 175.45 1vsy s ASN 4100N -0.02 4.61 0.03 3.32 0.01 -0.23 -1.74 114.94 120.92 1vsy s ASN 4100Ca 0.00 -0.14 -0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1vsy s ASN 4100Cb -0.06 -1.07 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 1vsy s ASN 4100CO -0.00 0.29 0.00 0.68 -1.51 0.00 0.00 177.10 176.56 1vsy s VAL 4101N -0.99 0.14 -0.16 1.60 -7.23 -0.25 -1.55 120.40 111.96 1vsy s VAL 4101Ca 0.17 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1vsy s VAL 4101Cb -0.11 -0.73 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1vsy s VAL 4101CO 0.07 -0.65 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.25 1vsy s LEU 4102N -1.98 2.11 -0.15 1.32 1.43 -0.12 -2.01 118.68 119.27 1vsy s LEU 4102Ca -0.08 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1vsy s LEU 4102Cb -0.03 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1vsy s LEU 4102CO -0.04 0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 175.88 1vsy s ILE 4103N 1.10 3.60 -0.05 -0.59 1.01 -0.71 -0.73 121.20 124.82 1vsy s ILE 4103Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1vsy s ILE 4103Cb -0.14 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.79 1vsy s ILE 4103CO -0.08 0.50 0.12 -0.83 0.00 0.00 0.00 174.94 174.64 1vsy s GLY 4104N 0.42 -0.06 0.06 6.18 0.00 -0.14 -0.25 107.32 113.53 1vsy s GLY 4104Ca -0.06 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.81 1vsy s GLY 4104CO 0.04 0.51 1.04 -0.32 0.00 0.00 0.00 173.10 174.36 1vsy s GLY 4105N 0.43 -0.32 -0.27 0.20 0.00 -0.90 -0.23 107.32 106.23 1vsy s GLY 4105Ca -0.03 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.11 1vsy s GLY 4105CO -0.02 0.12 0.11 -0.47 0.00 0.00 0.00 173.10 172.84 1vsy s TYR 4106N -3.00 3.13 -0.74 1.90 6.14 -0.24 -1.69 117.35 122.85 1vsy s TYR 4106Ca 0.11 -0.42 -0.26 0.00 0.64 0.00 0.00 57.07 57.14 1vsy s TYR 4106Cb 0.00 -2.29 0.01 0.00 0.42 0.00 0.00 41.96 40.11 1vsy s TYR 4106CO -0.02 -0.37 1.50 0.34 0.64 0.00 0.00 175.55 177.64 1vsy s ASP 4107N 1.63 5.89 0.12 4.32 -1.08 -0.76 -4.82 116.67 121.97 1vsy s ASP 4107Ca 0.06 -0.34 0.09 0.00 -0.52 0.00 0.00 52.55 51.84 1vsy s ASP 4107Cb -0.16 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.23 1vsy s ASP 4107CO 0.05 -2.01 1.28 0.29 0.52 0.00 0.00 175.17 175.31 1vsy n LYS 4108N 9.25 0.06 -0.05 4.34 4.76 -1.26 -0.49 118.16 134.77 1vsy n LYS 4108Ca 0.13 0.53 0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1vsy n LYS 4108Cb 0.50 -1.67 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.79 0.70 0.00 1.97 4.81 -1.26 -4.19 118.16 118.40 1vsy n LYS 4109Ca -0.00 -0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.41 1vsy n LYS 4109Cb 0.03 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 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 -2.45 1.52 -4.21 1.64 5.02 -0.89 -4.99 118.16 113.80 1vsy n LYS 4110Ca -0.16 -0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 55.18 1vsy n LYS 4110Cb 0.81 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.51 -3.30 -4.43 4.39 3.02 0.36 -4.98 115.26 109.81 1vsy n ASN 4111Ca 0.06 -1.00 -0.23 0.00 -0.03 0.00 0.00 54.58 53.38 1vsy n ASN 4111Cb 0.34 -2.71 -0.10 0.00 -0.61 0.00 0.00 39.78 36.70 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 -6.92 1.56 0.16 3.52 1.02 -1.22 -4.99 119.74 112.86 1vsy s LYS 4112Ca 0.75 -1.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 1vsy s LYS 4112Cb -0.41 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1vsy s LYS 4112CO 0.92 0.30 0.39 -1.25 -0.92 0.00 0.00 175.35 174.79 1vsy s PRO 4113N -3.39 3.61 -0.02 -1.68 0.05 -1.26 -1.83 135.00 130.49 1vsy s PRO 4113Ca 0.26 -0.10 0.01 0.00 0.05 0.00 0.00 61.00 61.22 1vsy s PRO 4113Cb -0.05 -2.84 0.01 0.00 0.05 0.00 0.00 34.50 31.68 1vsy s PRO 4113CO 0.12 0.45 -0.02 -1.21 0.05 0.00 0.00 177.00 176.39 1vsy s GLU 4114N -2.75 0.35 -0.13 4.56 2.02 -0.68 -4.95 118.70 117.11 1vsy s GLU 4114Ca 0.41 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.36 1vsy s GLU 4114Cb -0.12 -0.41 0.02 0.00 0.10 0.00 0.00 34.13 33.72 1vsy s GLU 4114CO 0.25 -0.01 -0.18 -1.17 0.02 0.00 0.00 175.26 174.17 1vsy s LEU 4115N 0.39 1.88 -0.03 1.80 2.96 -1.26 -2.11 118.68 122.32 1vsy s LEU 4115Ca -0.04 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1vsy s LEU 4115Cb -0.07 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1vsy s LEU 4115CO -0.01 0.02 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.59 1vsy s TYR 4116N 1.06 2.67 -0.13 5.38 2.02 0.65 -1.20 117.35 127.80 1vsy s TYR 4116Ca -0.03 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1vsy s TYR 4116Cb -0.14 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1vsy s TYR 4116CO -0.05 0.21 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.80 1vsy s GLN 4117N -0.92 3.13 -0.05 -0.62 0.74 -0.44 -1.75 119.66 119.76 1vsy s GLN 4117Ca 0.13 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.71 1vsy s GLN 4117Cb -0.11 -2.46 0.03 0.00 1.10 0.00 0.00 33.01 31.58 1vsy s GLN 4117CO 0.02 0.10 0.02 0.42 -0.55 0.00 0.00 175.29 175.30 1vsy s ILE 4118N 0.56 0.15 0.33 -2.34 1.01 -0.85 -2.00 121.20 118.05 1vsy s ILE 4118Ca -0.12 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1vsy s ILE 4118Cb -0.16 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 1vsy s ILE 4118CO 0.04 0.19 0.49 1.51 0.00 0.00 0.00 174.94 177.17 1vsy s ASP 4119N 1.68 6.11 0.27 3.58 1.47 -0.74 -1.09 116.67 127.95 1vsy s ASP 4119Ca -0.01 0.09 0.08 0.00 1.18 0.00 0.00 52.55 53.90 1vsy s ASP 4119Cb -0.13 -1.63 0.44 0.00 -0.34 0.00 0.00 42.92 41.27 1vsy s ASP 4119CO -0.03 -0.34 1.08 0.00 0.68 0.00 0.00 175.17 176.56 1vsy n TYR 4120N -1.68 0.27 0.46 2.11 4.11 -0.71 0.55 117.16 122.27 1vsy n TYR 4120Ca -0.03 0.14 0.12 0.00 -0.00 0.00 0.00 57.90 58.13 1vsy n TYR 4120Cb 0.57 -0.45 0.17 0.00 -0.00 0.00 0.00 39.34 39.63 1vsy n TYR 4120CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1vsy h LEU 4121N 0.00 0.00 0.00 -3.48 3.38 -1.88 -3.44 115.31 109.89 1vsy h LEU 4121Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1vsy h LEU 4121Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1vsy h LEU 4121CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1vsy n GLY 4122N 1.28 0.98 3.63 0.83 0.00 0.19 -4.30 105.19 107.79 1vsy n GLY 4122Ca 0.03 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.04 -0.07 2.61 2.01 -1.22 -4.86 115.64 116.15 1vsy s THR 4123Ca 0.00 1.16 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1vsy s THR 4123Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1vsy s THR 4123CO 0.00 -0.48 -0.20 -0.75 -0.69 0.00 0.00 174.62 172.50 1vsy s LYS 4124N 4.34 2.39 -0.07 4.92 2.36 -1.26 -1.78 119.74 130.64 1vsy s LYS 4124Ca 0.59 -0.72 -0.17 0.00 -2.55 0.00 0.00 55.97 53.12 1vsy s LYS 4124Cb -0.18 -1.92 0.04 0.00 -1.05 0.00 0.00 37.83 34.73 1vsy s LYS 4124CO 0.25 0.19 0.41 0.54 1.55 0.00 0.00 175.35 178.29 1vsy s VAL 4125N 0.26 0.03 -0.03 4.02 0.11 -0.85 -5.01 120.40 118.93 1vsy s VAL 4125Ca -0.12 -0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 58.54 1vsy s VAL 4125Cb -0.15 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1vsy s VAL 4125CO 0.05 -0.13 0.43 -0.70 -3.33 0.00 0.00 175.10 171.43 1vsy s GLU 4126N -0.73 4.07 0.09 1.54 -6.30 -1.26 -1.32 118.70 114.78 1vsy s GLU 4126Ca -0.08 0.44 0.01 0.00 -2.50 0.00 0.00 54.97 52.83 1vsy s GLU 4126Cb -0.04 -3.29 -0.04 0.00 0.00 0.00 0.00 34.13 30.76 1vsy s GLU 4126CO 0.04 0.52 -0.06 -0.51 0.02 0.00 0.00 175.26 175.27 1vsy s LEU 4127N -0.56 2.50 0.19 2.70 1.43 -0.34 -4.99 118.68 119.60 1vsy s LEU 4127Ca 0.24 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1vsy s LEU 4127Cb -0.16 -0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.13 1vsy s LEU 4127CO 0.13 -0.49 1.44 -0.65 0.23 0.00 0.00 176.35 177.00 1vsy h PRO 4128N 3.04 0.26 -2.74 1.29 0.11 -1.89 -3.36 132.00 128.71 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 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 1vsy h PRO 4128CO 0.65 0.91 0.09 1.52 -0.21 0.00 0.00 178.00 180.96 1vsy s TYR 4129N -3.45 -0.47 0.14 0.65 -0.85 -1.26 -0.24 117.35 111.87 1vsy s TYR 4129Ca -0.04 0.50 -0.25 0.00 -0.52 0.00 0.00 57.07 56.77 1vsy s TYR 4129Cb 0.11 0.39 0.07 0.00 0.38 0.00 0.00 41.96 42.91 1vsy s TYR 4129CO 0.82 -0.69 0.81 0.20 -1.52 0.00 0.00 175.55 175.18 1vsy s GLY 4130N -2.07 -0.34 -0.10 5.49 0.00 0.03 -5.00 107.32 105.33 1vsy s GLY 4130Ca -0.04 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 1vsy s GLY 4130CO -0.03 0.10 0.91 0.00 0.00 0.00 0.00 173.10 174.08 1vsy s ALA 4131N -3.48 -1.87 0.35 3.20 0.00 -1.26 -2.04 121.76 116.65 1vsy s ALA 4131Ca 0.08 1.40 0.09 0.00 0.00 0.00 0.00 51.96 53.52 1vsy s ALA 4131Cb -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 1vsy s ALA 4131CO -0.03 -0.41 -0.02 -1.01 0.00 0.00 0.00 175.76 174.29 1vsy s HIS 4132N -1.61 2.49 0.00 0.00 3.76 -1.08 -4.71 115.29 114.14 1vsy s HIS 4132Ca -0.02 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1vsy s HIS 4132Cb -0.00 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1vsy s HIS 4132CO 0.01 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 1vsy n GLY 4133N -0.91 0.24 0.36 -2.22 0.00 -1.26 -3.24 105.19 98.15 1vsy n GLY 4133Ca -0.04 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 2.64 0.00 -0.36 1.61 4.01 -1.26 -4.32 117.16 119.47 1vsy n TYR 4134Ca 0.00 0.00 0.31 0.00 -0.16 0.00 0.00 57.90 58.05 1vsy n TYR 4134Cb 0.00 -0.07 0.62 0.00 -0.31 0.00 0.00 39.34 39.58 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 1.75 0.25 -0.15 7.72 0.02 -1.88 -1.14 113.55 120.11 1vsy h SER 4135Ca 0.00 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1vsy h SER 4135Cb 0.54 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1vsy h SER 4135CO 0.00 0.00 0.03 1.23 -1.14 0.00 0.00 176.83 176.95 1vsy h GLY 4136N 0.20 0.36 1.07 -3.77 0.00 -1.79 -3.30 103.07 95.84 1vsy h GLY 4136Ca 0.65 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.68 1vsy h GLY 4136CO -0.22 0.17 -0.13 0.74 0.00 0.00 0.00 176.54 177.09 1vsy h PHE 4137N 0.34 1.10 0.00 5.60 -1.00 -1.54 0.19 116.94 121.62 1vsy h PHE 4137Ca 0.08 -0.24 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 1vsy h PHE 4137Cb 0.18 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1vsy h PHE 4137CO 0.00 1.05 -0.31 1.88 -1.61 0.00 0.00 178.31 179.32 1vsy h TYR 4138N 0.83 0.00 0.00 -0.55 -1.99 -1.75 -3.39 116.97 110.13 1vsy h TYR 4138Ca 0.12 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.70 1vsy h TYR 4138Cb 0.70 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 1vsy h TYR 4138CO 0.05 0.31 -1.72 0.25 -0.00 0.00 0.00 178.16 177.05 1vsy n THR 4139N -3.18 0.58 0.26 -2.88 -2.24 -1.14 -4.47 114.28 101.20 1vsy n THR 4139Ca 0.03 -0.43 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1vsy n THR 4139Cb 0.65 -0.46 0.70 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.07 4.78 -1.00 -1.14 -2.10 116.94 117.41 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 1.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 1vsy h PHE 4140CO 0.00 0.13 -0.72 0.66 -1.61 0.00 0.00 178.31 176.77 1vsy h SER 4141N 0.00 0.43 -0.19 2.17 4.64 -1.78 -1.98 113.55 116.83 1vsy h SER 4141Ca -0.00 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1vsy h SER 4141Cb 0.39 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1vsy h SER 4141CO 0.02 1.01 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.58 1vsy h LEU 4142N 0.25 0.63 0.06 5.97 3.38 -1.70 -3.19 115.31 120.70 1vsy h LEU 4142Ca -0.03 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1vsy h LEU 4142Cb 1.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1vsy h LEU 4142CO 0.12 1.04 -0.03 -0.07 0.09 0.00 0.00 178.44 179.59 1vsy h LEU 4143N 0.23 -0.07 -0.77 1.67 3.38 -1.38 0.51 115.31 118.88 1vsy h LEU 4143Ca 0.01 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 57.90 1vsy h LEU 4143Cb 0.92 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 1vsy h LEU 4143CO 0.08 0.20 -0.21 0.47 0.09 0.00 0.00 178.44 179.07 1vsy n ASP 4144N -5.00 -0.31 -0.01 -0.43 8.00 -0.75 -1.43 116.55 116.61 1vsy n ASP 4144Ca -0.08 1.33 -0.10 0.00 0.71 0.00 0.00 54.79 56.65 1vsy n ASP 4144Cb 0.17 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.08 -0.43 1.24 2.76 -1.42 -3.37 115.15 113.84 1vsy h HIS 4145Ca 0.36 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1vsy h HIS 4145Cb 0.55 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1vsy h HIS 4145CO -0.61 0.47 0.00 0.72 -1.30 0.00 0.00 177.93 177.21 1vsy n HIS 4146N -4.78 0.57 -3.37 5.26 8.25 0.13 -4.93 115.22 116.35 1vsy n HIS 4146Ca -0.07 -0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 56.72 1vsy n HIS 4146Cb 0.29 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.43 3.31 0.01 4.41 5.04 -0.51 -5.03 117.35 123.15 1vsy s TYR 4147Ca 0.38 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.61 1vsy s TYR 4147Cb 0.21 -2.57 -0.03 0.00 0.35 0.00 0.00 41.96 39.92 1vsy s TYR 4147CO 0.29 -0.12 -0.16 1.03 -1.34 0.00 0.00 175.55 175.25 1vsy s ARG 4148N 1.71 2.24 0.00 4.97 3.00 -1.26 -5.00 118.95 124.61 1vsy s ARG 4148Ca 0.18 -0.88 0.30 0.00 0.00 0.00 0.00 55.73 55.34 1vsy s ARG 4148Cb -0.15 -2.27 1.52 0.00 0.00 0.00 0.00 34.95 34.05 1vsy s ARG 4148CO 0.09 0.57 2.02 -2.30 0.00 0.00 0.00 175.30 175.68 1vsy n PRO 4149N 1.78 0.82 -0.55 3.54 -0.02 -1.26 -2.95 135.00 136.35 1vsy n PRO 4149Ca -0.16 -0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.25 1vsy n PRO 4149Cb 0.52 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.85 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 -0.95 4.48 -4.73 2.55 5.68 -1.26 -3.64 116.55 118.67 1vsy n ASP 4150Ca 0.18 -2.33 -0.42 0.00 -0.50 0.00 0.00 54.79 51.73 1vsy n ASP 4150Cb 0.22 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.62 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 -1.64 4.26 0.90 0.11 -1.94 -1.15 -4.76 119.30 115.07 1vsy s MET 4151Ca 0.50 2.29 -0.10 0.00 -1.71 0.00 0.00 55.69 56.66 1vsy s MET 4151Cb 0.31 -3.14 0.13 0.00 2.01 0.00 0.00 34.83 34.14 1vsy s MET 4151CO 0.26 -0.48 1.12 0.95 -0.01 0.00 0.00 175.02 176.87 1vsy s THR 4152N 0.48 2.43 0.42 2.05 -4.23 -1.26 -2.66 115.64 112.87 1vsy s THR 4152Ca 0.63 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 61.37 1vsy s THR 4152Cb -0.42 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.35 1vsy s THR 4152CO 0.38 -0.18 2.04 0.74 -0.54 0.00 0.00 174.62 177.05 1vsy h THR 4153N -1.72 1.11 -0.11 3.99 2.02 -1.96 -1.56 112.91 114.68 1vsy h THR 4153Ca -0.45 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 1vsy h THR 4153Cb 1.26 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1vsy h THR 4153CO 0.46 0.12 -0.11 -0.08 0.37 0.00 0.00 175.52 176.28 1vsy h GLU 4154N 0.44 0.27 -0.36 6.66 4.57 -2.00 -2.19 114.58 121.96 1vsy h GLU 4154Ca 0.11 -0.14 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1vsy h GLU 4154Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1vsy h GLU 4154CO -0.02 0.67 0.27 0.93 -1.18 0.00 0.00 179.01 179.68 1vsy h GLU 4155N -0.13 0.00 0.08 1.92 5.08 -1.77 -2.36 114.58 117.41 1vsy h GLU 4155Ca 0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 1vsy h GLU 4155Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1vsy h GLU 4155CO 0.03 0.00 -1.40 0.78 -1.00 0.00 0.00 179.01 177.42 1vsy h GLY 4156N 0.00 0.20 1.01 -3.84 0.00 -1.16 -3.01 103.07 96.27 1vsy h GLY 4156Ca 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1vsy h GLY 4156CO -0.00 0.44 0.47 1.41 0.00 0.00 0.00 176.54 178.86 1vsy h LEU 4157N 0.05 0.86 0.21 3.11 3.38 -0.88 -2.27 115.31 119.76 1vsy h LEU 4157Ca -0.18 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1vsy h LEU 4157Cb 1.96 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1vsy h LEU 4157CO 0.15 0.64 -0.24 0.44 0.09 0.00 0.00 178.44 179.52 1vsy h ASP 4158N 1.00 -0.65 -0.12 -0.43 3.32 -1.48 -0.95 116.42 117.10 1vsy h ASP 4158Ca 0.27 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.41 1vsy h ASP 4158Cb -0.09 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1vsy h ASP 4158CO -0.05 -0.35 0.14 0.25 -1.72 0.00 0.00 179.24 177.51 1vsy h LEU 4159N -0.49 0.00 -0.04 1.55 5.85 -1.48 -2.02 115.31 118.68 1vsy h LEU 4159Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1vsy h LEU 4159Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1vsy h LEU 4159CO -0.08 0.00 -0.28 0.25 -0.34 0.00 0.00 178.44 178.00 1vsy h LEU 4160N 0.00 0.32 -1.80 2.25 7.12 -0.61 -3.03 115.31 119.56 1vsy h LEU 4160Ca 0.06 -0.68 0.06 0.00 0.13 0.00 0.00 57.88 57.45 1vsy h LEU 4160Cb 0.33 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1vsy h LEU 4160CO -0.00 0.95 0.26 0.50 -0.13 0.00 0.00 178.44 180.01 1vsy h LYS 4161N -0.29 0.23 0.00 1.25 3.64 -0.55 -1.20 116.57 119.66 1vsy h LYS 4161Ca -0.02 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1vsy h LYS 4161Cb 0.95 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1vsy h LYS 4161CO 0.06 0.15 -0.47 1.25 -2.27 0.00 0.00 179.45 178.17 1vsy h LEU 4162N 0.24 0.00 -0.00 5.20 5.85 -1.35 -1.62 115.31 123.63 1vsy h LEU 4162Ca 0.17 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1vsy h LEU 4162Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1vsy h LEU 4162CO -0.03 0.47 -0.18 0.00 -0.34 0.00 0.00 178.44 178.36 1vsy h VAL 4164N -0.58 0.88 -0.71 0.00 2.07 -1.38 -0.84 116.25 115.68 1vsy h VAL 4164Ca -0.02 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1vsy h VAL 4164Cb 0.94 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1vsy h VAL 4164CO 0.04 0.17 0.41 1.56 0.02 0.00 0.00 177.57 179.77 1vsy h GLN 4165N 0.91 0.97 -0.31 1.57 4.20 -1.33 -1.17 115.11 119.95 1vsy h GLN 4165Ca 0.49 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 59.03 1vsy h GLN 4165Cb 0.53 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1vsy h GLN 4165CO -0.28 0.70 -0.13 1.49 -0.67 0.00 0.00 178.83 179.94 1vsy h GLU 4166N 0.97 0.54 -0.02 1.46 4.57 -1.04 -2.31 114.58 118.75 1vsy h GLU 4166Ca 0.25 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 1vsy h GLU 4166Cb -0.01 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1vsy h GLU 4166CO -0.05 0.66 -0.51 -0.07 -1.18 0.00 0.00 179.01 177.86 1vsy h LEU 4167N 0.49 0.05 -0.21 1.64 3.38 -0.68 -1.40 115.31 118.59 1vsy h LEU 4167Ca 0.09 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1vsy h LEU 4167Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1vsy h LEU 4167CO 0.03 0.56 -0.25 -0.33 0.09 0.00 0.00 178.44 178.54 1vsy h GLU 4168N 0.04 0.00 0.00 1.13 5.08 -0.86 -2.56 114.58 117.41 1vsy h GLU 4168Ca -0.00 0.00 -0.13 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 0.25 -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 -3.40 116.57 117.56 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 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1vsy h LYS 4169CO 0.03 0.97 0.00 0.54 -2.27 0.00 0.00 179.45 178.72 1vsy n ARG 4170N -4.51 2.68 -4.57 1.90 5.12 -0.56 -4.94 116.66 111.79 1vsy n ARG 4170Ca -0.23 -2.28 -0.33 0.00 -1.93 0.00 0.00 57.85 53.08 1vsy n ARG 4170Cb 0.59 -1.41 -0.15 0.00 -1.16 0.00 0.00 32.46 30.33 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 -1.04 3.24 0.46 5.56 1.75 -0.96 -5.02 119.30 123.29 1vsy s MET 4171Ca 0.34 -0.74 0.21 0.00 -1.25 0.00 0.00 55.69 54.26 1vsy s MET 4171Cb 0.18 -2.62 1.13 0.00 2.84 0.00 0.00 34.83 36.36 1vsy s MET 4171CO 0.24 0.04 1.96 -1.35 -0.65 0.00 0.00 175.02 175.27 1vsy h PRO 4172N 7.22 0.00 -6.73 4.11 0.11 -1.92 -3.44 132.00 131.36 1vsy h PRO 4172Ca -0.31 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.30 1vsy h PRO 4172Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1vsy h PRO 4172CO 0.56 0.21 0.38 -1.64 -0.21 0.00 0.00 178.00 177.31 1vsy s MET 4173N -4.17 4.78 -0.65 1.05 -1.94 -1.26 -5.01 119.30 112.11 1vsy s MET 4173Ca -0.02 1.55 -0.20 0.00 -1.71 0.00 0.00 55.69 55.31 1vsy s MET 4173Cb 0.13 -3.28 0.10 0.00 2.01 0.00 0.00 34.83 33.80 1vsy s MET 4173CO 0.64 0.40 0.81 0.34 -0.01 0.00 0.00 175.02 177.20 1vsy s ASP 4174N -0.90 6.24 0.00 3.03 2.15 -1.26 -4.89 116.67 121.04 1vsy s ASP 4174Ca 0.43 -1.42 0.25 0.00 0.43 0.00 0.00 52.55 52.24 1vsy s ASP 4174Cb -0.27 -2.34 0.70 0.00 -0.30 0.00 0.00 42.92 40.72 1vsy s ASP 4174CO 0.33 -1.18 1.54 2.22 -0.17 0.00 0.00 175.17 177.92 1vsy n PHE 4175N 6.63 0.11 -2.87 -5.34 -1.74 -1.26 -4.95 117.46 108.03 1vsy n PHE 4175Ca -0.04 -0.05 -0.20 0.00 -0.56 0.00 0.00 57.45 56.60 1vsy n PHE 4175Cb 0.44 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.47 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 0.65 -4.05 0.00 3.97 4.76 -1.26 -2.84 118.16 119.39 1vsy n LYS 4176Ca 0.17 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 1vsy n LYS 4176Cb 0.44 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 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 -1.40 -2.70 3.35 0.72 0.00 -1.26 -4.33 105.19 99.58 1vsy n GLY 4177Ca -0.11 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.45 0.99 -0.16 1.61 -7.23 -1.26 -1.81 120.40 112.10 1vsy s VAL 4178Ca 0.00 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1vsy s VAL 4178Cb 0.00 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1vsy s VAL 4178CO 0.00 -0.20 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.75 1vsy s ILE 4179N -3.45 2.01 -0.23 -0.62 1.01 -0.40 -4.82 121.20 114.70 1vsy s ILE 4179Ca 0.32 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1vsy s ILE 4179Cb 0.07 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1vsy s ILE 4179CO 0.11 0.54 0.15 -0.69 0.00 0.00 0.00 174.94 175.05 1vsy s VAL 4180N 1.05 5.38 0.13 2.92 1.01 -1.26 -2.86 120.40 126.76 1vsy s VAL 4180Ca -0.01 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.26 1vsy s VAL 4180Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1vsy s VAL 4180CO -0.07 0.38 -0.26 -0.54 0.00 0.00 0.00 175.10 174.61 1vsy s LYS 4181N 0.83 1.45 -0.03 2.72 1.02 -0.67 -1.95 119.74 123.10 1vsy s LYS 4181Ca 0.08 -1.33 0.04 0.00 0.02 0.00 0.00 55.97 54.78 1vsy s LYS 4181Cb -0.13 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1vsy s LYS 4181CO 0.02 0.45 -0.16 0.42 -0.92 0.00 0.00 175.35 175.16 1vsy s ILE 4182N -1.07 1.34 -0.19 2.17 1.01 0.01 -1.60 121.20 122.87 1vsy s ILE 4182Ca 0.14 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1vsy s ILE 4182Cb -0.10 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1vsy s ILE 4182CO 0.07 0.39 -0.19 -0.69 0.00 0.00 0.00 174.94 174.51 1vsy s VAL 4183N -0.07 2.08 0.00 2.92 1.01 -0.34 -1.84 120.40 124.17 1vsy s VAL 4183Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1vsy s VAL 4183Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1vsy s VAL 4183CO 0.01 0.50 0.00 -0.90 0.00 0.00 0.00 175.10 174.71 1vsy n ASP 4184N 4.61 0.00 -0.17 3.32 5.75 -0.51 -1.68 116.55 127.87 1vsy n ASP 4184Ca -0.20 -0.63 0.17 0.00 -0.01 0.00 0.00 54.79 54.12 1vsy n ASP 4184Cb 0.49 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.12 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 0.35 -0.01 0.11 2.10 -1.96 0.52 116.57 117.68 1vsy h LYS 4185Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1vsy h LYS 4185Cb 0.00 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1vsy h LYS 4185CO 0.00 0.23 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.36 1vsy n ASP 4186N -4.47 0.68 0.00 7.07 8.00 -1.26 -5.04 116.55 121.53 1vsy n ASP 4186Ca 0.15 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1vsy n ASP 4186Cb 0.60 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.20 0.24 3.21 0.44 0.00 0.17 -4.95 105.19 105.49 1vsy n GLY 4187Ca 0.18 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 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 3.61 0.28 -0.61 1.01 -1.23 -1.42 121.20 122.84 1vsy s ILE 4188Ca 0.00 -1.52 0.10 0.00 0.00 0.00 0.00 60.65 59.23 1vsy s ILE 4188Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1vsy s ILE 4188CO 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 174.94 174.47 1vsy s ARG 4189N 1.30 2.07 -0.13 2.79 1.70 -0.77 -4.97 118.95 120.95 1vsy s ARG 4189Ca 0.02 -1.57 0.02 0.00 -0.47 0.00 0.00 55.73 53.73 1vsy s ARG 4189Cb -0.22 -2.01 0.01 0.00 -0.57 0.00 0.00 34.95 32.17 1vsy s ARG 4189CO -0.00 0.33 -0.18 -1.14 -1.08 0.00 0.00 175.30 173.22 1vsy s GLN 4190N -3.62 2.61 -0.62 3.89 0.74 -1.26 -0.81 119.66 120.58 1vsy s GLN 4190Ca 0.31 -0.70 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 1vsy s GLN 4190Cb -0.05 -2.18 0.03 0.00 1.10 0.00 0.00 33.01 31.91 1vsy s GLN 4190CO 0.18 -0.06 1.22 0.08 -0.55 0.00 0.00 175.29 176.15 1vsy s VAL 4191N 0.97 3.94 -0.45 1.34 1.01 -0.82 -4.89 120.40 121.50 1vsy s VAL 4191Ca -0.05 0.77 0.12 0.00 0.00 0.00 0.00 61.98 62.81 1vsy s VAL 4191Cb -0.15 -4.78 0.67 0.00 0.00 0.00 0.00 36.38 32.12 1vsy s VAL 4191CO -0.03 -1.48 1.52 -0.90 0.00 0.00 0.00 175.10 174.21 1vsy n ASP 4192N 8.69 4.81 -3.54 3.32 3.85 -1.26 -4.30 116.55 128.13 1vsy n ASP 4192Ca 0.07 -2.73 -0.27 0.00 -0.71 0.00 0.00 54.79 51.15 1vsy n ASP 4192Cb 0.49 -0.64 -0.09 0.00 -1.35 0.00 0.00 41.12 39.52 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 0.54 2.45 -0.02 -1.12 5.68 -1.26 -4.94 116.55 117.89 1vsy n ASP 4193Ca 0.23 -3.12 -0.03 0.00 -0.50 0.00 0.00 54.79 51.36 1vsy n ASP 4193Cb 1.01 -0.68 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.53 0.00 0.22 2.11 7.35 -1.26 -4.27 117.46 123.15 1vsy n PHE 4194Ca 0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 1vsy n PHE 4194Cb 0.42 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.13 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 -3.08 0.49 0.00 -4.13 3.00 -1.26 -2.27 117.38 110.14 1vsy n GLN 4195Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1vsy n GLN 4195Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.53 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 1.12 0.00 1.77 -1.58 0.00 -1.26 -5.20 120.51 115.35 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 0.25 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.54 1vsy n ALA 4196CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44