#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 5.20 0.80 1.61 1.04 -1.26 -5.02 113.70 116.08 1vdy s SER 2 Ca 0.00 2.07 -0.10 0.00 0.48 0.00 0.00 55.95 58.40 1vdy s SER 2 Cb 0.00 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.63 1vdy s SER 2 CO 0.00 -1.57 1.10 -0.94 0.98 0.00 0.00 173.24 172.81 1vdy s SER 3 N -2.33 4.16 0.00 7.02 1.04 -1.26 -4.70 113.70 117.63 1vdy s SER 3 Ca 0.69 1.88 0.00 0.00 0.48 0.00 0.00 55.95 59.00 1vdy s SER 3 Cb -0.22 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1vdy s SER 3 CO 0.38 -2.26 0.00 0.61 0.98 0.00 0.00 173.24 172.95 1vdy n GLY 4 N -0.93 -1.91 0.13 7.32 0.00 -1.26 -4.96 105.19 103.58 1vdy n GLY 4 Ca 0.10 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1vdy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdy n SER 5 N -0.10 0.67 -4.10 1.61 7.64 -1.26 -4.78 113.62 113.30 1vdy n SER 5 Ca 0.00 0.66 -0.10 0.00 1.01 0.00 0.00 58.87 60.44 1vdy n SER 5 Cb 0.00 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.31 1vdy n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vdy s SER 6 N -4.25 0.13 0.00 6.43 0.01 -1.26 -4.94 113.70 109.82 1vdy s SER 6 Ca 0.04 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1vdy s SER 6 Cb 0.09 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1vdy s SER 6 CO 0.40 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1vdy n GLY 7 N -0.22 0.85 3.08 3.44 0.00 -1.26 -4.98 105.19 106.09 1vdy n GLY 7 Ca -0.03 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1vdy n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vdy n GLU 8 N -0.99 2.38 0.00 1.61 4.07 -1.26 -4.22 120.64 122.23 1vdy n GLU 8 Ca 0.00 -2.48 0.00 0.00 -0.06 0.00 0.00 57.16 54.62 1vdy n GLU 8 Cb 0.35 -3.26 0.00 0.00 -0.06 0.00 0.00 31.44 28.47 1vdy n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1vdy n SER 9 N 7.81 1.66 -0.02 4.31 3.41 -1.26 -4.79 113.62 124.73 1vdy n SER 9 Ca 0.50 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.79 1vdy n SER 9 Cb 0.41 0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 64.93 1vdy n SER 9 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1vdy h TYR 10 N 0.00 0.76 -0.34 7.33 -0.00 -2.00 -3.16 116.97 119.56 1vdy h TYR 10 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 58.73 58.44 1vdy h TYR 10 Cb 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 36.73 36.53 1vdy h TYR 10 CO 0.00 1.15 -0.44 2.35 -0.00 0.00 0.00 178.16 181.21 1vdy h TRP 11 N 0.16 -1.29 0.27 0.10 -0.00 -1.92 0.53 115.95 113.81 1vdy h TRP 11 Ca -0.05 0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1vdy h TRP 11 Cb 1.24 0.61 -0.01 0.00 -0.00 0.00 0.00 29.16 31.00 1vdy h TRP 11 CO 0.11 -0.46 -0.17 0.00 -0.00 0.00 0.00 178.44 177.92 1vdy h ARG 12 N -0.38 -0.42 -0.37 2.65 3.08 -1.89 -3.14 114.38 113.92 1vdy h ARG 12 Ca 0.12 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1vdy h ARG 12 Cb 0.60 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1vdy h ARG 12 CO -0.54 -0.28 0.16 0.66 -1.07 0.00 0.00 179.97 178.90 1vdy h SER 13 N -0.43 0.20 -0.98 7.04 4.64 -1.36 -3.08 113.55 119.57 1vdy h SER 13 Ca -0.02 0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.52 1vdy h SER 13 Cb 0.36 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.27 1vdy h SER 13 CO 0.02 0.15 -0.26 0.54 -0.87 0.00 0.00 176.83 176.42 1vdy n ARG 14 N -4.98 -0.10 0.18 4.77 5.12 0.12 -0.16 116.66 121.61 1vdy n ARG 14 Ca 0.01 1.53 -0.14 0.00 -1.93 0.00 0.00 57.85 57.33 1vdy n ARG 14 Cb 0.12 -2.29 -0.07 0.00 -1.16 0.00 0.00 32.46 29.06 1vdy n ARG 14 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1vdy h MET 15 N 0.00 -0.52 -0.41 5.56 2.86 -1.61 0.73 114.93 121.54 1vdy h MET 15 Ca 0.46 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.13 1vdy h MET 15 Cb 0.71 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1vdy h MET 15 CO -1.01 -0.35 0.24 0.82 1.06 0.00 0.00 176.91 177.67 1vdy h ILE 16 N -0.54 1.14 -0.67 -1.22 1.08 -1.11 -2.59 117.51 113.60 1vdy h ILE 16 Ca -0.01 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 1vdy h ILE 16 Cb 0.50 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1vdy h ILE 16 CO -0.05 0.15 0.44 -0.78 -0.69 0.00 0.00 178.15 177.22 1vdy h ASP 17 N 0.53 0.59 0.33 1.72 1.82 -0.21 0.13 116.42 121.33 1vdy h ASP 17 Ca 0.15 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.72 1vdy h ASP 17 Cb 0.03 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1vdy h ASP 17 CO -0.03 0.38 -0.33 0.00 -1.61 0.00 0.00 179.24 177.66 1vdy h ALA 18 N 1.64 1.45 -0.07 -0.78 0.00 -0.45 0.28 119.26 121.33 1vdy h ALA 18 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vdy h ALA 18 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vdy h ALA 18 CO -0.09 0.41 0.00 1.33 0.00 0.00 0.00 179.25 180.90 1vdy n VAL 19 N -4.14 0.07 -2.22 0.00 0.24 -0.60 -4.20 118.33 107.48 1vdy n VAL 19 Ca -0.02 -0.53 0.05 0.00 -2.04 0.00 0.00 64.34 61.79 1vdy n VAL 19 Cb 0.37 1.38 0.08 0.00 -1.47 0.00 0.00 33.84 34.20 1vdy n VAL 19 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vdy n THR 20 N 1.21 0.68 -1.83 3.34 -2.24 -0.07 -4.71 114.28 110.67 1vdy n THR 20 Ca 0.13 -1.69 -0.42 0.00 -2.27 0.00 0.00 64.05 59.80 1vdy n THR 20 Cb 0.53 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1vdy n THR 20 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vdy s SER 21 N -2.38 6.52 0.00 3.42 0.15 0.95 -4.82 113.70 117.55 1vdy s SER 21 Ca 0.35 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.61 1vdy s SER 21 Cb 0.38 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1vdy s SER 21 CO -0.14 -0.94 0.29 -0.90 1.20 0.00 0.00 173.24 172.75 1vdy n ASP 22 N 5.69 0.86 -4.97 5.45 5.75 -1.26 -4.73 116.55 123.33 1vdy n ASP 22 Ca 0.17 -0.59 -0.21 0.00 -0.01 0.00 0.00 54.79 54.15 1vdy n ASP 22 Cb 0.39 -0.15 0.01 0.00 -1.03 0.00 0.00 41.12 40.34 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1vdy s GLU 23 N 0.74 3.06 0.41 0.11 2.56 -1.26 -5.01 118.70 119.32 1vdy s GLU 23 Ca 0.00 -0.73 0.22 0.00 0.00 0.00 0.00 54.97 54.46 1vdy s GLU 23 Cb 0.00 -2.67 0.31 0.00 2.00 0.00 0.00 34.13 33.77 1vdy s GLU 23 CO 0.00 -0.15 1.59 0.38 -0.56 0.00 0.00 175.26 176.52 1vdy h ASP 24 N 0.60 0.00 -1.63 -1.70 2.03 -2.02 -3.47 116.42 110.23 1vdy h ASP 24 Ca -0.46 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.16 1vdy h ASP 24 Cb 1.26 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.77 1vdy h ASP 24 CO 0.55 0.11 1.07 1.17 -1.03 0.00 0.00 179.24 181.11 1vdy n LYS 25 N -3.13 1.49 -1.96 4.15 3.00 -1.26 -4.92 118.16 115.53 1vdy n LYS 25 Ca 0.03 0.53 -0.39 0.00 -0.00 0.00 0.00 58.31 58.48 1vdy n LYS 25 Cb 0.57 -2.36 0.01 0.00 0.00 0.00 0.00 35.03 33.25 1vdy n LYS 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vdy s VAL 26 N 4.44 2.43 0.23 3.15 0.11 -1.26 -4.95 120.40 124.55 1vdy s VAL 26 Ca 0.99 0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 60.10 1vdy s VAL 26 Cb -0.90 -3.20 -0.09 0.00 -1.53 0.00 0.00 36.38 30.65 1vdy s VAL 26 CO 0.58 0.03 1.30 0.00 -3.33 0.00 0.00 175.10 173.69 1vdy s ALA 27 N -1.30 3.52 1.00 1.54 0.00 -1.26 -5.04 121.76 120.22 1vdy s ALA 27 Ca 0.62 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1vdy s ALA 27 Cb -0.38 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1vdy s ALA 27 CO 0.48 -0.54 0.00 -0.35 0.00 0.00 0.00 175.76 175.35 1vdy n PRO 28 N 2.24 2.20 -0.04 0.00 -0.04 -1.26 -5.05 135.00 133.05 1vdy n PRO 28 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 1vdy n PRO 28 Cb 0.43 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 1vdy n PRO 28 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vdy n VAL 29 N -0.10 0.50 -0.37 0.52 0.31 -1.26 -4.65 118.33 113.28 1vdy n VAL 29 Ca 0.00 -0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1vdy n VAL 29 Cb 0.00 -0.97 0.19 0.00 -0.91 0.00 0.00 33.84 32.15 1vdy n VAL 29 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1vdy h TYR 30 N -0.07 1.19 0.00 3.52 -0.00 -1.99 0.20 116.97 119.82 1vdy h TYR 30 Ca -0.20 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.54 1vdy h TYR 30 Cb 1.28 -0.39 -0.00 0.00 0.00 0.00 0.00 36.73 37.62 1vdy h TYR 30 CO 0.00 0.59 -0.11 0.87 -0.00 0.00 0.00 178.16 179.51 1vdy h LYS 31 N 1.14 0.00 0.08 0.10 1.57 -1.98 -1.82 116.57 115.66 1vdy h LYS 31 Ca 0.45 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.11 1vdy h LYS 31 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1vdy h LYS 31 CO -0.19 0.11 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.23 1vdy h LEU 32 N 0.00 0.30 -0.87 2.94 3.38 -1.27 -3.30 115.31 116.49 1vdy h LEU 32 Ca -0.00 -0.95 0.11 0.00 0.09 0.00 0.00 57.88 57.13 1vdy h LEU 32 Cb 0.43 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1vdy h LEU 32 CO 0.01 1.23 0.51 -0.33 0.09 0.00 0.00 178.44 179.95 1vdy h GLU 33 N -0.58 0.79 -0.04 1.13 5.08 -0.87 -1.92 114.58 118.16 1vdy h GLU 33 Ca -0.09 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1vdy h GLU 33 Cb 1.38 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1vdy h GLU 33 CO 0.09 0.52 -0.12 0.93 -1.00 0.00 0.00 179.01 179.43 1vdy h GLU 34 N 0.81 -0.18 0.10 2.33 5.08 -1.46 0.12 114.58 121.38 1vdy h GLU 34 Ca 0.44 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1vdy h GLU 34 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1vdy h GLU 34 CO -0.27 -0.12 -0.11 0.82 -1.00 0.00 0.00 179.01 178.32 1vdy h ILE 35 N -0.18 0.74 -0.52 3.13 2.04 -1.47 -0.32 117.51 120.92 1vdy h ILE 35 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1vdy h ILE 35 Cb 0.26 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1vdy h ILE 35 CO -0.15 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.35 1vdy h ASP 37 N 0.56 0.28 0.26 0.00 3.58 -0.32 -3.04 116.42 117.73 1vdy h ASP 37 Ca 0.21 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1vdy h ASP 37 Cb 0.14 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1vdy h ASP 37 CO -0.06 0.95 -0.13 -0.07 -2.88 0.00 0.00 179.24 177.06 1vdy h LEU 38 N 0.14 -0.30 -0.61 2.28 -0.00 -0.14 -3.19 115.31 113.50 1vdy h LEU 38 Ca -0.03 -0.23 0.12 0.00 -0.00 0.00 0.00 57.88 57.74 1vdy h LEU 38 Cb 1.36 0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.98 1vdy h LEU 38 CO 0.12 0.18 -0.27 -0.07 -0.00 0.00 0.00 178.44 178.40 1vdy h LEU 39 N -0.89 -0.94 -1.98 1.67 3.38 -1.07 0.16 115.31 115.64 1vdy h LEU 39 Ca -0.04 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1vdy h LEU 39 Cb 0.51 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1vdy h LEU 39 CO 0.06 -0.27 -0.09 0.08 0.09 0.00 0.00 178.44 178.31 1vdy h ARG 40 N -0.10 0.00 0.00 1.13 -0.00 -1.64 -2.23 114.38 111.53 1vdy h ARG 40 Ca 0.27 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 60.10 1vdy h ARG 40 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.47 1vdy h ARG 40 CO -0.68 0.09 -1.48 0.45 -0.00 0.00 0.00 179.97 178.35 1vdy n SER 41 N -3.49 0.73 -4.88 0.08 2.88 -0.37 -4.97 113.62 103.61 1vdy n SER 41 Ca -0.02 0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.54 1vdy n SER 41 Cb 0.23 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vdy s SER 42 N -5.61 6.28 0.77 -3.46 0.01 0.44 -5.06 113.70 107.07 1vdy s SER 42 Ca -0.04 1.27 -0.11 0.00 1.31 0.00 0.00 55.95 58.39 1vdy s SER 42 Cb 0.09 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 63.98 1vdy s SER 42 CO 0.82 -0.74 1.09 -2.28 0.41 0.00 0.00 173.24 172.53 1vdy s HIS 43 N -2.98 2.63 0.28 2.43 2.46 -1.26 -4.87 115.29 113.98 1vdy s HIS 43 Ca 0.53 1.51 0.02 0.00 0.47 0.00 0.00 55.06 57.59 1vdy s HIS 43 Cb -0.11 -3.04 0.64 0.00 -0.13 0.00 0.00 32.58 29.95 1vdy s HIS 43 CO 0.49 -1.78 1.75 -0.24 -2.47 0.00 0.00 174.74 172.50 1vdy h VAL 44 N -1.11 0.67 -0.91 0.89 3.04 -1.97 -0.69 116.25 116.17 1vdy h VAL 44 Ca -0.44 -0.21 0.16 0.00 -1.01 0.00 0.00 66.70 65.19 1vdy h VAL 44 Cb 1.23 -0.01 -0.10 0.00 -2.01 0.00 0.00 31.29 30.41 1vdy h VAL 44 CO 0.52 0.11 0.50 -1.28 -1.01 0.00 0.00 177.57 176.42 1vdy h SER 45 N 0.62 0.63 -0.23 3.17 0.87 -1.99 -0.38 113.55 116.24 1vdy h SER 45 Ca 0.52 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 61.14 1vdy h SER 45 Cb 0.82 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1vdy h SER 45 CO -0.40 0.26 0.01 0.40 -0.53 0.00 0.00 176.83 176.57 1vdy h ILE 46 N 0.69 1.25 -0.75 2.23 1.08 -1.48 -1.95 117.51 118.59 1vdy h ILE 46 Ca 0.50 -0.85 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1vdy h ILE 46 Cb 0.72 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 1vdy h ILE 46 CO -0.36 0.27 0.49 0.58 -0.69 0.00 0.00 178.15 178.44 1vdy h VAL 47 N 0.18 1.18 -0.52 1.67 2.07 -0.99 0.75 116.25 120.60 1vdy h VAL 47 Ca 0.07 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1vdy h VAL 47 Cb 0.38 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1vdy h VAL 47 CO 0.01 0.18 0.04 0.11 0.02 0.00 0.00 177.57 177.93 1vdy h LYS 48 N 1.00 0.89 -0.20 1.57 1.57 -1.04 -2.71 116.57 117.64 1vdy h LYS 48 Ca 0.28 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1vdy h LYS 48 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1vdy h LYS 48 CO -0.06 0.90 -0.08 0.93 -0.57 0.00 0.00 179.45 180.56 1vdy h GLU 49 N 0.76 0.41 -0.99 3.15 4.39 -0.63 -3.20 114.58 118.48 1vdy h GLU 49 Ca 0.15 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1vdy h GLU 49 Cb 0.47 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 1vdy h GLU 49 CO 0.02 0.69 0.62 0.74 -1.16 0.00 0.00 179.01 179.92 1vdy h PHE 50 N 0.11 1.13 -0.90 4.33 -1.00 -0.83 -1.03 116.94 118.75 1vdy h PHE 50 Ca 0.05 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.95 1vdy h PHE 50 Cb 0.55 -0.36 -0.07 0.00 3.61 0.00 0.00 35.95 39.68 1vdy h PHE 50 CO 0.06 0.47 0.55 0.77 -1.61 0.00 0.00 178.31 178.55 1vdy h SER 51 N 1.01 0.82 0.13 2.17 0.02 -1.47 -2.20 113.55 114.02 1vdy h SER 51 Ca 0.48 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 1vdy h SER 51 Cb 0.42 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1vdy h SER 51 CO -0.25 0.47 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.52 1vdy h GLU 52 N 0.93 -0.17 -0.81 3.45 4.39 -1.25 -2.76 114.58 118.36 1vdy h GLU 52 Ca 0.43 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.28 1vdy h GLU 52 Cb 0.34 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1vdy h GLU 52 CO -0.23 0.03 0.53 0.74 -1.16 0.00 0.00 179.01 178.93 1vdy h PHE 53 N -0.35 0.64 0.41 4.33 0.04 -1.21 0.41 116.94 121.22 1vdy h PHE 53 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1vdy h PHE 53 Cb 0.28 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1vdy h PHE 53 CO -0.02 0.24 -0.20 0.82 -0.60 0.00 0.00 178.31 178.56 1vdy h ILE 54 N 0.55 0.58 -0.08 -0.55 2.04 -1.27 -3.08 117.51 115.70 1vdy h ILE 54 Ca 0.40 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1vdy h ILE 54 Cb 0.77 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1vdy h ILE 54 CO -0.16 0.06 0.05 -0.07 0.00 0.00 0.00 178.15 178.03 1vdy h LEU 55 N -0.74 0.05 -1.74 1.44 3.38 -0.92 -1.46 115.31 115.32 1vdy h LEU 55 Ca -0.06 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1vdy h LEU 55 Cb 0.52 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1vdy h LEU 55 CO 0.09 0.03 0.33 0.11 0.09 0.00 0.00 178.44 179.10 1vdy h LYS 56 N 0.05 0.30 0.00 1.13 1.79 -0.88 -1.14 116.57 117.84 1vdy h LYS 56 Ca 0.03 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.30 1vdy h LYS 56 Cb 0.06 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1vdy h LYS 56 CO -0.00 0.20 -0.85 0.00 -1.08 0.00 0.00 179.45 177.71 1vdy h ARG 57 N 0.31 0.09 0.00 3.15 2.47 -1.33 -3.14 114.38 115.92 1vdy h ARG 57 Ca 0.22 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1vdy h ARG 57 Cb 0.48 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1vdy h ARG 57 CO -0.05 0.88 0.00 -0.07 0.56 0.00 0.00 179.97 181.29 1vdy h LEU 58 N 0.05 0.00 -0.18 3.04 4.07 -1.24 -2.19 115.31 118.87 1vdy h LEU 58 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1vdy h LEU 58 Cb 1.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.22 1vdy h LEU 58 CO 0.12 0.00 0.00 -0.78 -1.08 0.00 0.00 178.44 176.70 1vdy h ASP 59 N 0.00 0.00 -3.98 -0.43 3.58 -1.48 -3.47 116.42 110.63 1vdy h ASP 59 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1vdy h ASP 59 Cb 0.32 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.49 1vdy h ASP 59 CO 0.00 0.00 0.71 0.21 -2.88 0.00 0.00 179.24 177.28 1vdy s ASN 60 N -5.66 5.94 0.24 2.28 3.84 -0.82 -4.94 114.94 115.82 1vdy s ASN 60 Ca 0.07 2.93 0.05 0.00 0.21 0.00 0.00 52.86 56.12 1vdy s ASN 60 Cb 0.07 -2.66 0.24 0.00 -0.55 0.00 0.00 41.25 38.36 1vdy s ASN 60 CO 0.63 -1.14 1.55 0.11 -2.79 0.00 0.00 177.10 175.46 1vdy h LYS 61 N 2.41 0.20 -6.81 0.43 1.79 -1.90 -3.45 116.57 109.25 1vdy h LYS 61 Ca -0.51 -0.14 -0.53 0.00 -2.18 0.00 0.00 60.65 57.29 1vdy h LYS 61 Cb 1.26 0.02 0.08 0.00 -1.58 0.00 0.00 32.23 32.02 1vdy h LYS 61 CO 0.61 0.76 0.85 0.45 -1.08 0.00 0.00 179.45 181.05 1vdy s SER 62 N -6.89 6.42 0.12 0.86 0.15 -1.26 -4.94 113.70 108.16 1vdy s SER 62 Ca -0.03 2.91 -0.14 0.00 0.70 0.00 0.00 55.95 59.38 1vdy s SER 62 Cb 0.12 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1vdy s SER 62 CO 0.80 -0.87 1.49 1.55 1.20 0.00 0.00 173.24 177.41 1vdy h PRO 63 N 4.70 0.75 0.08 5.44 0.13 -1.91 -3.20 132.00 137.99 1vdy h PRO 63 Ca -0.47 -0.33 0.02 0.00 -0.87 0.00 0.00 66.00 64.35 1vdy h PRO 63 Cb 1.22 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1vdy h PRO 63 CO 0.78 0.94 -0.21 0.82 -0.23 0.00 0.00 178.00 180.09 1vdy h ILE 64 N 0.53 0.52 -0.91 -3.56 2.04 -1.92 -2.32 117.51 111.89 1vdy h ILE 64 Ca 0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.13 1vdy h ILE 64 Cb 0.71 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 37.20 1vdy h ILE 64 CO 0.05 0.00 0.48 0.58 0.00 0.00 0.00 178.15 179.26 1vdy h VAL 65 N -0.38 0.63 0.85 1.67 2.07 -1.90 -0.31 116.25 118.88 1vdy h VAL 65 Ca 0.04 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1vdy h VAL 65 Cb 0.42 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1vdy h VAL 65 CO -0.14 0.11 -0.41 0.11 0.02 0.00 0.00 177.57 177.26 1vdy h LYS 66 N 0.58 -1.10 -0.86 1.57 1.57 -1.43 -3.12 116.57 113.78 1vdy h LYS 66 Ca 0.54 0.08 0.19 0.00 -1.87 0.00 0.00 60.65 59.59 1vdy h LYS 66 Cb 0.89 0.25 -0.11 0.00 0.08 0.00 0.00 32.23 33.34 1vdy h LYS 66 CO -0.43 -0.73 0.38 0.37 -0.57 0.00 0.00 179.45 178.47 1vdy h GLN 67 N -1.25 0.43 -0.82 3.15 -0.00 -0.73 -0.22 115.11 115.67 1vdy h GLN 67 Ca -0.12 -0.03 0.11 0.00 -0.00 0.00 0.00 58.65 58.62 1vdy h GLN 67 Cb 0.88 -0.10 -0.08 0.00 0.00 0.00 0.00 27.48 28.19 1vdy h GLN 67 CO 0.19 0.28 0.45 0.87 0.00 0.00 0.00 178.83 180.63 1vdy h LYS 68 N 0.44 0.71 -0.11 1.69 1.79 -1.05 -1.35 116.57 118.69 1vdy h LYS 68 Ca 0.52 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.89 1vdy h LYS 68 Cb 0.91 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1vdy h LYS 68 CO -0.48 0.47 -0.13 0.00 -1.08 0.00 0.00 179.45 178.23 1vdy h ALA 69 N 1.48 0.16 -0.55 3.86 0.00 -1.00 -3.02 119.26 120.19 1vdy h ALA 69 Ca 0.41 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1vdy h ALA 69 Cb 0.44 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1vdy h ALA 69 CO -0.28 0.03 -0.20 -0.07 0.00 0.00 0.00 179.25 178.73 1vdy h LEU 70 N -0.13 -0.72 -0.35 0.00 -0.00 -0.69 -0.93 115.31 112.49 1vdy h LEU 70 Ca 0.02 0.19 0.01 0.00 -0.00 0.00 0.00 57.88 58.09 1vdy h LEU 70 Cb 0.66 0.42 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 1vdy h LEU 70 CO 0.03 -0.23 0.23 -0.09 -0.00 0.00 0.00 178.44 178.37 1vdy h ARG 71 N -0.07 0.45 -0.70 1.13 1.12 -1.34 -2.82 114.38 112.15 1vdy h ARG 71 Ca 0.26 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.06 1vdy h ARG 71 Cb 0.47 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 1vdy h ARG 71 CO -0.60 0.30 0.27 1.25 -3.11 0.00 0.00 179.97 178.08 1vdy h LEU 72 N 0.46 0.97 0.19 3.80 5.85 -1.13 -1.54 115.31 123.92 1vdy h LEU 72 Ca 0.13 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1vdy h LEU 72 Cb -0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1vdy h LEU 72 CO -0.04 0.89 -0.34 0.40 -0.34 0.00 0.00 178.44 179.01 1vdy h ILE 73 N 1.00 0.28 -0.65 4.05 2.04 -0.97 0.75 117.51 124.01 1vdy h ILE 73 Ca 0.23 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1vdy h ILE 73 Cb 0.22 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1vdy h ILE 73 CO -0.02 0.00 0.30 0.07 0.00 0.00 0.00 178.15 178.50 1vdy h LYS 74 N -0.62 0.95 -0.14 2.37 2.10 -1.46 0.12 116.57 119.89 1vdy h LYS 74 Ca 0.01 -0.15 0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1vdy h LYS 74 Cb 0.61 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1vdy h LYS 74 CO -0.16 0.77 0.02 -0.92 -2.00 0.00 0.00 179.45 177.17 1vdy h TYR 75 N 0.91 0.04 -0.15 0.07 5.03 -0.88 -3.21 116.97 118.78 1vdy h TYR 75 Ca 0.22 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.32 1vdy h TYR 75 Cb 0.15 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.44 1vdy h TYR 75 CO 0.01 0.01 -0.76 0.00 -1.32 0.00 0.00 178.16 176.10 1vdy h ALA 76 N 1.11 0.35 -1.96 1.82 0.00 -0.69 -3.42 119.26 116.46 1vdy h ALA 76 Ca 0.06 -0.60 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 1vdy h ALA 76 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1vdy h ALA 76 CO -0.09 0.69 1.19 0.54 0.00 0.00 0.00 179.25 181.58 1vdy s VAL 77 N -3.75 3.60 0.00 0.00 0.11 0.42 -1.73 120.40 119.04 1vdy s VAL 77 Ca -0.10 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1vdy s VAL 77 Cb 0.09 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1vdy s VAL 77 CO 0.90 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1vdy n GLY 78 N 5.00 1.57 0.61 6.54 0.00 -1.26 -4.86 105.19 112.78 1vdy n GLY 78 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 1vdy n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vdy n LYS 79 N 0.00 0.25 -0.49 1.61 5.02 -0.71 -4.81 118.16 119.03 1vdy n LYS 79 Ca 0.00 0.10 0.41 0.00 -2.02 0.00 0.00 58.31 56.80 1vdy n LYS 79 Cb 0.00 -0.93 0.71 0.00 -0.02 0.00 0.00 35.03 34.79 1vdy n LYS 79 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1vdy h SER 80 N -0.45 0.15 -4.78 4.39 0.02 -1.74 -3.48 113.55 107.65 1vdy h SER 80 Ca -0.08 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 80 Cb 0.65 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1vdy h SER 80 CO -0.05 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.17 1vdy n GLY 81 N -1.67 0.85 0.19 -3.77 0.00 -1.26 -3.92 105.19 95.60 1vdy n GLY 81 Ca 0.37 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 44.21 1vdy n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdy h SER 82 N 0.00 0.00 0.20 1.61 4.64 -1.99 -3.30 113.55 114.71 1vdy h SER 82 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1vdy h SER 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vdy h SER 82 CO 0.00 0.34 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.88 1vdy h GLU 83 N 0.00 -0.26 -0.34 4.77 4.39 -2.00 -2.28 114.58 118.86 1vdy h GLU 83 Ca -0.00 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1vdy h GLU 83 Cb 1.00 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1vdy h GLU 83 CO 0.04 -0.12 0.23 0.35 -1.16 0.00 0.00 179.01 178.35 1vdy h PHE 84 N -0.34 0.19 0.59 4.33 3.57 -1.88 -0.96 116.94 122.44 1vdy h PHE 84 Ca -0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1vdy h PHE 84 Cb 0.26 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1vdy h PHE 84 CO -0.04 0.10 -0.28 -0.09 -2.23 0.00 0.00 178.31 175.77 1vdy h ARG 85 N 0.19 -0.76 0.19 1.11 9.65 -1.50 -2.13 114.38 121.12 1vdy h ARG 85 Ca 0.15 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1vdy h ARG 85 Cb 0.35 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1vdy h ARG 85 CO -0.02 -0.50 -0.26 0.00 2.80 0.00 0.00 179.97 181.99 1vdy h ARG 86 N -0.81 -0.49 -0.93 0.20 2.47 -0.81 -2.70 114.38 111.30 1vdy h ARG 86 Ca -0.08 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.80 1vdy h ARG 86 Cb 0.62 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.96 1vdy h ARG 86 CO 0.13 -0.32 0.56 0.93 0.56 0.00 0.00 179.97 181.82 1vdy h GLU 87 N -0.51 0.82 -0.71 0.04 4.39 -1.25 -0.57 114.58 116.79 1vdy h GLU 87 Ca 0.01 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1vdy h GLU 87 Cb 0.50 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1vdy h GLU 87 CO -0.10 0.54 0.25 0.52 -1.16 0.00 0.00 179.01 179.06 1vdy h MET 88 N 0.84 1.08 -0.46 2.33 2.86 -1.08 -2.42 114.93 118.09 1vdy h MET 88 Ca 0.48 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1vdy h MET 88 Cb 0.55 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1vdy h MET 88 CO -0.30 0.90 0.17 1.96 1.06 0.00 0.00 176.91 180.70 1vdy h GLN 89 N 1.05 0.66 -0.24 1.72 4.20 -0.83 -0.19 115.11 121.48 1vdy h GLN 89 Ca 0.23 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1vdy h GLN 89 Cb 0.26 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1vdy h GLN 89 CO -0.01 0.56 -0.44 0.00 -0.67 0.00 0.00 178.83 178.26 1vdy h ARG 90 N 0.65 0.59 -0.46 1.46 2.47 -1.08 -3.18 114.38 114.84 1vdy h ARG 90 Ca 0.16 -0.32 -0.10 0.00 -1.26 0.00 0.00 59.98 58.46 1vdy h ARG 90 Cb 0.16 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 1vdy h ARG 90 CO -0.01 0.92 0.08 0.09 0.56 0.00 0.00 179.97 181.60 1vdy n ASN 91 N -4.01 4.14 0.32 7.04 3.02 -1.04 -4.64 115.26 120.09 1vdy n ASN 91 Ca -0.02 -3.21 0.21 0.00 -0.03 0.00 0.00 54.58 51.53 1vdy n ASN 91 Cb 0.54 -0.64 1.09 0.00 -0.61 0.00 0.00 39.78 40.16 1vdy n ASN 91 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vdy h SER 92 N 2.15 0.00 -0.60 6.41 4.64 -1.01 -2.74 113.55 122.40 1vdy h SER 92 Ca 0.12 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.54 1vdy h SER 92 Cb 1.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.88 1vdy h SER 92 CO 0.44 0.01 0.40 1.62 -0.87 0.00 0.00 176.83 178.43 1vdy h VAL 93 N 0.00 0.91 0.00 0.95 3.04 -1.86 -0.45 116.25 118.85 1vdy h VAL 93 Ca -0.00 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1vdy h VAL 93 Cb 0.11 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1vdy h VAL 93 CO 0.00 0.08 -0.11 0.00 -1.01 0.00 0.00 177.57 176.53 1vdy h ALA 94 N 1.69 1.61 0.04 3.17 0.00 -1.89 -0.74 119.26 123.14 1vdy h ALA 94 Ca 0.27 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1vdy h ALA 94 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1vdy h ALA 94 CO -0.08 0.14 -1.44 0.28 0.00 0.00 0.00 179.25 178.15 1vdy h VAL 95 N 0.00 0.86 -0.70 0.00 2.07 -1.35 -3.38 116.25 113.74 1vdy h VAL 95 Ca -0.00 -2.23 0.06 0.00 0.82 0.00 0.00 66.70 65.35 1vdy h VAL 95 Cb 0.23 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1vdy h VAL 95 CO 0.01 0.49 0.46 0.03 0.02 0.00 0.00 177.57 178.58 1vdy h ARG 96 N -0.69 0.71 0.00 1.57 3.08 -0.97 -0.81 114.38 117.26 1vdy h ARG 96 Ca -0.36 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1vdy h ARG 96 Cb 1.51 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 1vdy h ARG 96 CO -0.12 0.47 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.27 1vdy h ASN 97 N 0.73 0.00 0.65 7.04 7.08 -1.34 -2.80 115.58 126.94 1vdy h ASN 97 Ca 0.30 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.52 1vdy h ASN 97 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 1vdy h ASN 97 CO -0.10 0.03 0.00 0.18 -2.08 0.00 0.00 177.43 175.46 1vdy n LEU 98 N -3.13 0.00 0.10 6.14 4.77 -0.31 -3.23 117.00 121.34 1vdy n LEU 98 Ca 0.01 0.43 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1vdy n LEU 98 Cb 0.34 -0.43 0.40 0.00 -2.33 0.00 0.00 43.42 41.39 1vdy n LEU 98 CO 0.29 -0.11 0.73 0.49 -1.33 0.00 0.00 177.39 177.46 1vdy n PHE 99 N -1.43 0.49 -0.15 -1.77 3.72 -1.06 -1.25 117.46 116.02 1vdy n PHE 99 Ca 0.07 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1vdy n PHE 99 Cb 0.23 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 1vdy n PHE 99 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1vdy n HIS 100 N -2.00 0.00 -1.77 1.38 1.44 -1.20 -5.05 115.22 108.02 1vdy n HIS 100 Ca -0.00 -0.19 -0.42 0.00 -2.01 0.00 0.00 57.72 55.09 1vdy n HIS 100 Cb 0.06 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1vdy s TYR 101 N -0.39 2.10 0.00 -1.40 6.14 -0.38 -4.84 117.35 118.58 1vdy s TYR 101 Ca 0.00 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.72 1vdy s TYR 101 Cb 0.00 -4.12 0.00 0.00 0.42 0.00 0.00 41.96 38.26 1vdy s TYR 101 CO 0.00 -4.67 0.00 0.36 0.64 0.00 0.00 175.55 171.88 1vdy n LYS 102 N 5.95 2.54 0.00 4.97 2.85 -1.26 -4.67 118.16 128.54 1vdy n LYS 102 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1vdy n LYS 102 Cb 0.39 -0.77 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vdy n GLY 103 N 1.53 1.91 3.09 2.58 0.00 -1.26 -4.78 105.19 108.27 1vdy n GLY 103 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1vdy n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vdy s HIS 104 N 0.00 0.91 0.56 1.61 -3.43 -1.26 -5.15 115.29 108.53 1vdy s HIS 104 Ca 0.00 -0.41 -0.18 0.00 -0.80 0.00 0.00 55.06 53.68 1vdy s HIS 104 Cb 0.00 -0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 30.56 1vdy s HIS 104 CO 0.00 -0.01 1.07 -1.25 -2.00 0.00 0.00 174.74 172.55 1vdy s PRO 105 N -1.34 3.41 -0.08 -0.38 0.04 -1.26 -4.92 135.00 130.47 1vdy s PRO 105 Ca -0.04 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1vdy s PRO 105 Cb -0.09 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1vdy s PRO 105 CO 0.01 -0.75 -0.15 -0.51 0.04 0.00 0.00 177.00 175.64 1vdy s ASP 106 N -2.33 3.95 0.33 6.66 1.11 -0.63 -4.98 116.67 120.77 1vdy s ASP 106 Ca 0.67 -0.27 0.03 0.00 0.18 0.00 0.00 52.55 53.16 1vdy s ASP 106 Cb -0.18 -1.13 0.57 0.00 1.07 0.00 0.00 42.92 43.25 1vdy s ASP 106 CO 0.30 0.27 1.89 1.55 1.18 0.00 0.00 175.17 180.36 1vdy h PRO 107 N 5.91 0.63 0.00 8.23 0.13 -1.97 0.39 132.00 145.31 1vdy h PRO 107 Ca -0.37 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1vdy h PRO 107 Cb 1.18 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1vdy h PRO 107 CO 0.52 0.59 -0.37 1.37 -0.23 0.00 0.00 178.00 179.88 1vdy h LEU 108 N 0.61 0.00 -0.28 1.56 -0.00 -2.04 -3.36 115.31 111.79 1vdy h LEU 108 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1vdy h LEU 108 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1vdy h LEU 108 CO -0.00 0.37 0.00 0.29 -0.00 0.00 0.00 178.44 179.10 1vdy n LYS 109 N -3.38 0.84 0.00 0.17 4.76 -1.13 -5.13 118.16 114.29 1vdy n LYS 109 Ca 0.01 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1vdy n LYS 109 Cb 0.56 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 0.16 0.17 2.87 0.72 0.00 0.14 -3.62 105.19 105.62 1vdy n GLY 110 Ca 0.00 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1vdy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vdy n ASP 111 N 0.40 7.24 -0.07 1.61 2.03 -1.26 -1.61 116.55 124.89 1vdy n ASP 111 Ca 0.00 -3.82 -0.06 0.00 0.52 0.00 0.00 54.79 51.42 1vdy n ASP 111 Cb 0.00 -1.01 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vdy n ALA 112 N -0.52 0.51 -0.24 -1.67 0.00 -1.24 -4.15 120.51 113.21 1vdy n ALA 112 Ca 0.52 -0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1vdy n ALA 112 Cb 0.27 -0.02 0.27 0.00 0.00 0.00 0.00 19.45 19.97 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N -1.00 0.84 -1.60 0.00 -0.00 -1.85 -1.18 115.31 110.52 1vdy h LEU 113 Ca -0.03 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 1vdy h LEU 113 Cb 0.61 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1vdy h LEU 113 CO -0.02 0.57 -0.15 0.78 -0.00 0.00 0.00 178.44 179.62 1vdy h ASN 114 N 0.97 0.06 0.13 -0.43 2.35 -1.88 -2.51 115.58 114.27 1vdy h ASN 114 Ca 0.32 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1vdy h ASN 114 Cb 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1vdy h ASN 114 CO -0.09 0.22 -0.06 0.50 -1.65 0.00 0.00 177.43 176.35 1vdy h LYS 115 N 0.06 -0.17 -0.99 0.81 1.63 -1.38 -3.16 116.57 113.36 1vdy h LYS 115 Ca 0.01 0.01 0.37 0.00 -0.85 0.00 0.00 60.65 60.19 1vdy h LYS 115 Cb 0.31 0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 31.81 1vdy h LYS 115 CO 0.02 0.17 0.48 0.00 -3.45 0.00 0.00 179.45 176.67 1vdy h ALA 116 N 0.28 1.97 0.10 5.00 0.00 -1.12 0.17 119.26 125.67 1vdy h ALA 116 Ca -0.02 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1vdy h ALA 116 Cb 0.42 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1vdy h ALA 116 CO 0.03 -0.80 -0.14 0.28 0.00 0.00 0.00 179.25 178.62 1vdy h VAL 117 N 0.10 0.00 0.00 0.00 2.07 -1.50 -2.01 116.25 114.91 1vdy h VAL 117 Ca 0.78 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.30 1vdy h VAL 117 Cb 1.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1vdy h VAL 117 CO -0.74 0.00 0.00 0.08 0.02 0.00 0.00 177.57 176.93 1vdy h ARG 118 N -0.25 0.00 0.19 1.57 -0.00 -1.32 -2.44 114.38 112.13 1vdy h ARG 118 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1vdy h ARG 118 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.20 1vdy h ARG 118 CO -0.04 0.00 -0.09 0.93 -0.00 0.00 0.00 179.97 180.77 1vdy h GLU 119 N 0.00 -0.25 -0.33 0.08 4.39 -0.60 -3.31 114.58 114.57 1vdy h GLU 119 Ca 0.00 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1vdy h GLU 119 Cb 0.52 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1vdy h GLU 119 CO 0.00 -0.17 0.22 1.15 -1.16 0.00 0.00 179.01 179.06 1vdy h THR 120 N -0.55 0.98 -0.85 1.13 2.02 -1.43 -2.28 112.91 111.93 1vdy h THR 120 Ca -0.03 -0.09 0.22 0.00 0.77 0.00 0.00 66.41 67.28 1vdy h THR 120 Cb 0.20 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1vdy h THR 120 CO 0.04 0.05 0.59 0.00 0.37 0.00 0.00 175.52 176.58 1vdy h ALA 121 N 1.82 2.56 0.38 6.16 0.00 -1.52 -0.49 119.26 128.17 1vdy h ALA 121 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1vdy h ALA 121 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vdy h ALA 121 CO -0.03 -0.81 -0.18 0.45 0.00 0.00 0.00 179.25 178.68 1vdy h HIS 122 N 0.16 -0.48 -0.77 0.00 3.86 -1.52 -2.19 115.15 114.21 1vdy h HIS 122 Ca 0.42 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.74 1vdy h HIS 122 Cb 1.41 0.16 -0.09 0.00 1.06 0.00 0.00 27.41 29.95 1vdy h HIS 122 CO -0.00 -0.16 0.37 0.93 0.86 0.00 0.00 177.93 179.93 1vdy h GLU 123 N -0.82 0.55 0.41 2.45 5.08 -1.42 -0.35 114.58 120.48 1vdy h GLU 123 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1vdy h GLU 123 Cb 0.53 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1vdy h GLU 123 CO 0.09 0.36 -0.24 1.15 -1.00 0.00 0.00 179.01 179.37 1vdy h THR 124 N 0.57 0.49 -0.29 1.13 2.02 -1.08 -1.84 112.91 113.91 1vdy h THR 124 Ca 0.41 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.55 1vdy h THR 124 Cb 0.54 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1vdy h THR 124 CO -0.34 0.00 0.04 0.40 0.37 0.00 0.00 175.52 175.99 1vdy h ILE 125 N -0.62 1.16 -0.82 3.11 1.08 -0.84 -1.97 117.51 118.61 1vdy h ILE 125 Ca -0.05 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 63.89 1vdy h ILE 125 Cb 0.51 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 1vdy h ILE 125 CO 0.05 0.20 0.51 -1.28 -0.69 0.00 0.00 178.15 176.95 1vdy h SER 126 N 0.42 0.80 0.02 1.72 0.87 -0.66 -1.74 113.55 114.97 1vdy h SER 126 Ca 0.10 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 1vdy h SER 126 Cb 0.22 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1vdy h SER 126 CO 0.00 0.52 -0.48 0.00 -0.53 0.00 0.00 176.83 176.34 1vdy h ALA 127 N 1.39 0.04 -0.67 6.23 0.00 -0.76 -2.26 119.26 123.23 1vdy h ALA 127 Ca 0.36 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vdy h ALA 127 Cb 0.15 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1vdy h ALA 127 CO -0.17 0.25 0.44 0.82 0.00 0.00 0.00 179.25 180.59 1vdy h ILE 128 N -0.31 1.11 -0.61 0.00 2.04 -1.23 -2.76 117.51 115.75 1vdy h ILE 128 Ca -0.06 -0.28 -0.41 0.00 1.00 0.00 0.00 64.86 65.10 1vdy h ILE 128 Cb 1.23 0.22 -0.26 0.00 -0.74 0.00 0.00 36.82 37.27 1vdy h ILE 128 CO 0.09 0.15 -0.23 0.49 0.00 0.00 0.00 178.15 178.66 1vdy n PHE 129 N -4.45 2.08 -0.32 1.37 3.72 -0.67 -4.86 117.46 114.33 1vdy n PHE 129 Ca 0.08 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.37 1vdy n PHE 129 Cb 0.10 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy n SER 130 N -0.92 3.56 -3.16 4.37 2.88 -0.85 -4.41 113.62 115.09 1vdy n SER 130 Ca 0.42 -1.94 0.03 0.00 -1.33 0.00 0.00 58.87 56.06 1vdy n SER 130 Cb 0.93 -0.75 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 1vdy n SER 130 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1vdy s GLU 131 N 0.66 0.55 -0.24 -1.46 -1.05 -1.26 -5.08 118.70 110.83 1vdy s GLU 131 Ca 0.00 0.60 -0.37 0.00 -0.15 0.00 0.00 54.97 55.05 1vdy s GLU 131 Cb 0.00 0.26 0.15 0.00 -0.44 0.00 0.00 34.13 34.10 1vdy s GLU 131 CO 0.00 -0.98 1.36 -1.83 0.95 0.00 0.00 175.26 174.76 1vdy s GLU 132 N 2.82 0.09 -0.90 -4.83 -1.05 -1.26 -5.04 118.70 108.52 1vdy s GLU 132 Ca 0.12 -0.04 -0.02 0.00 -0.15 0.00 0.00 54.97 54.89 1vdy s GLU 132 Cb -0.11 0.04 0.34 0.00 -0.44 0.00 0.00 34.13 33.96 1vdy s GLU 132 CO -0.25 -0.04 1.94 0.09 0.95 0.00 0.00 175.26 177.95 1vdy n ASN 133 N -0.11 7.42 0.00 0.83 3.02 -1.26 -4.68 115.26 120.49 1vdy n ASN 133 Ca 0.02 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1vdy n ASN 133 Cb 0.58 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1vdy n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vdy n GLY 134 N -0.37 1.63 3.76 7.41 0.00 -1.26 -4.89 105.19 111.47 1vdy n GLY 134 Ca 0.51 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 1vdy n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vdy s SER 135 N -1.00 5.80 0.00 1.61 0.15 -1.26 -5.00 113.70 114.00 1vdy s SER 135 Ca 0.00 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1vdy s SER 135 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1vdy s SER 135 CO 0.00 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.87 1vdy n GLY 136 N 0.49 2.44 0.28 9.45 0.00 -1.26 -5.04 105.19 111.56 1vdy n GLY 136 Ca 0.09 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1vdy n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy h PRO 137 N 0.00 0.68 -7.09 1.61 0.13 -2.02 -3.43 132.00 121.89 1vdy h PRO 137 Ca 0.00 -0.16 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 1vdy h PRO 137 Cb 0.00 -0.09 0.09 0.00 0.13 0.00 0.00 31.00 31.12 1vdy h PRO 137 CO 0.00 0.68 0.45 -1.54 -0.23 0.00 0.00 178.00 177.36 1vdy s SER 138 N -6.67 5.55 0.16 1.44 1.04 -1.26 -5.06 113.70 108.91 1vdy s SER 138 Ca -0.09 2.26 0.09 0.00 0.48 0.00 0.00 55.95 58.70 1vdy s SER 138 Cb 0.15 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1vdy s SER 138 CO 0.79 -1.34 -0.20 -0.94 0.98 0.00 0.00 173.24 172.53 1vdy s SER 139 N -1.69 2.84 0.00 7.02 1.04 -1.26 -5.01 113.70 116.64 1vdy s SER 139 Ca 0.74 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1vdy s SER 139 Cb -0.26 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1vdy s SER 139 CO 0.29 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.14