#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rhe n SER 2 N 0.00 0.00 -0.02 4.31 3.41 -1.23 -4.66 113.62 115.42 2rhe n SER 2 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2rhe n SER 2 Cb 0.00 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.24 2rhe n SER 2 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2rhe h VAL 3 N 0.00 1.52 -3.07 -3.33 2.07 -1.92 -3.44 116.25 108.09 2rhe h VAL 3 Ca 0.00 -1.95 -0.65 0.00 0.82 0.00 0.00 66.70 64.91 2rhe h VAL 3 Cb 0.00 2.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 2rhe h VAL 3 CO 0.00 0.54 -0.57 -0.76 0.02 0.00 0.00 177.57 176.81 2rhe s LEU 4 N -8.50 3.96 -0.18 2.57 1.43 -0.85 -4.77 118.68 112.34 2rhe s LEU 4 Ca -0.15 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2rhe s LEU 4 Cb 0.01 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2rhe s LEU 4 CO 0.75 0.26 -0.01 -0.89 0.23 0.00 0.00 176.35 176.70 2rhe s THR 5 N -1.23 3.95 0.07 5.49 2.01 0.37 -4.01 115.64 122.28 2rhe s THR 5 Ca 0.24 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.98 2rhe s THR 5 Cb -0.12 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2rhe s THR 5 CO 0.15 0.45 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.27 2rhe s GLN 6 N 0.76 0.98 0.47 4.92 -0.21 -1.26 -0.66 119.66 124.66 2rhe s GLN 6 Ca -0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 55.36 54.21 2rhe s GLN 6 Cb -0.14 -1.06 -0.07 0.00 1.00 0.00 0.00 33.01 32.74 2rhe s GLN 6 CO 0.02 0.25 1.17 -1.25 -2.12 0.00 0.00 175.29 173.36 2rhe s PRO 7 N -1.53 3.69 0.38 2.91 0.04 -1.26 -4.81 135.00 134.42 2rhe s PRO 7 Ca 0.02 1.77 0.12 0.00 0.04 0.00 0.00 61.00 62.94 2rhe s PRO 7 Cb -0.09 -2.35 0.75 0.00 0.04 0.00 0.00 34.50 32.85 2rhe s PRO 7 CO 0.02 -0.61 1.86 -1.35 0.04 0.00 0.00 177.00 176.97 2rhe h PRO 8 N 1.93 0.07 -4.52 0.56 0.11 -1.97 -3.37 132.00 124.81 2rhe h PRO 8 Ca -0.49 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.30 2rhe h PRO 8 Cb 1.25 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 2rhe h PRO 8 CO 0.60 0.36 -0.74 -1.12 -0.21 0.00 0.00 178.00 176.89 2rhe s SER 9 N -6.93 0.82 -0.07 -2.05 0.01 -1.26 -1.51 113.70 102.71 2rhe s SER 9 Ca -0.04 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.68 2rhe s SER 9 Cb 0.15 -0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.40 2rhe s SER 9 CO 0.73 -0.11 0.34 0.00 0.41 0.00 0.00 173.24 174.61 2rhe s ALA 10 N -0.95 -0.86 0.05 1.44 0.00 -0.46 -4.89 121.76 116.09 2rhe s ALA 10 Ca -0.06 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 2rhe s ALA 10 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2rhe s ALA 10 CO 0.00 -0.22 0.20 -1.54 0.00 0.00 0.00 175.76 174.19 2rhe s SER 11 N -0.68 0.05 0.16 0.00 1.04 -1.26 -1.30 113.70 111.71 2rhe s SER 11 Ca -0.08 -0.43 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2rhe s SER 11 Cb -0.04 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2rhe s SER 11 CO 0.03 -0.60 0.97 -0.83 0.98 0.00 0.00 173.24 173.79 2rhe s GLY 12 N -2.27 -0.19 0.17 7.32 0.00 -0.98 -4.97 107.32 106.39 2rhe s GLY 12 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.81 2rhe s GLY 12 CO -0.06 0.18 0.21 -0.51 0.00 0.00 0.00 173.10 172.93 2rhe s THR 13 N -3.17 4.84 0.11 0.90 -4.23 -1.26 -1.09 115.64 111.74 2rhe s THR 13 Ca 0.13 -0.96 -0.36 0.00 -1.18 0.00 0.00 61.69 59.32 2rhe s THR 13 Cb -0.01 -3.50 -0.16 0.00 1.34 0.00 0.00 72.50 70.17 2rhe s THR 13 CO 0.03 -0.14 1.41 -2.65 -0.54 0.00 0.00 174.62 172.73 2rhe n PRO 14 N -0.56 1.48 0.00 3.99 -0.02 -1.26 -2.00 135.00 136.62 2rhe n PRO 14 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2rhe n PRO 14 Cb 0.55 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2rhe n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rhe n GLY 15 N 2.79 1.15 3.80 -1.23 0.00 -0.46 -4.89 105.19 106.36 2rhe n GLY 15 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2rhe n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rhe s GLN 16 N -0.73 2.93 -0.30 1.61 -0.21 -0.85 -4.09 119.66 118.02 2rhe s GLN 16 Ca 0.00 1.10 -0.11 0.00 0.02 0.00 0.00 55.36 56.37 2rhe s GLN 16 Cb 0.00 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 2rhe s GLN 16 CO 0.00 -1.11 0.20 0.50 -2.12 0.00 0.00 175.29 172.76 2rhe s ARG 17 N -4.65 3.73 0.01 2.91 3.52 -1.26 -1.13 118.95 122.08 2rhe s ARG 17 Ca 0.61 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.79 2rhe s ARG 17 Cb -0.16 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 2rhe s ARG 17 CO 0.49 -0.29 -0.13 0.08 -0.81 0.00 0.00 175.30 174.64 2rhe s VAL 18 N 1.73 3.17 0.07 7.11 1.01 -0.39 -4.95 120.40 128.14 2rhe s VAL 18 Ca 0.06 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.18 2rhe s VAL 18 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2rhe s VAL 18 CO 0.10 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.49 2rhe s THR 19 N -0.92 2.49 -0.15 3.92 2.01 -1.26 -1.36 115.64 120.36 2rhe s THR 19 Ca 0.15 -1.40 0.01 0.00 0.31 0.00 0.00 61.69 60.76 2rhe s THR 19 Cb -0.11 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.37 2rhe s THR 19 CO 0.05 0.27 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.45 2rhe s ILE 20 N -0.94 1.81 0.27 1.82 1.01 0.41 -4.98 121.20 120.59 2rhe s ILE 20 Ca 0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2rhe s ILE 20 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2rhe s ILE 20 CO 0.05 0.50 0.48 -0.94 0.00 0.00 0.00 174.94 175.03 2rhe s SER 21 N 1.27 6.38 -0.11 3.58 1.04 -1.26 -1.53 113.70 123.07 2rhe s SER 21 Ca 0.02 0.51 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 2rhe s SER 21 Cb -0.13 -2.05 0.06 0.00 0.10 0.00 0.00 66.02 63.99 2rhe s SER 21 CO -0.09 -0.15 0.19 0.00 0.98 0.00 0.00 173.24 174.16 2rhe s THR 23 N 2.32 2.84 0.00 0.00 2.01 0.17 -0.78 115.64 122.20 2rhe s THR 23 Ca 0.03 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2rhe s THR 23 Cb -0.13 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2rhe s THR 23 CO -0.07 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 2rhe n GLY 24 N 2.33 5.66 3.32 4.40 0.00 0.05 -0.48 105.19 120.47 2rhe n GLY 24 Ca -0.17 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 2rhe n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rhe s SER 25 N 1.00 1.58 0.46 1.61 1.04 -1.26 -4.87 113.70 113.26 2rhe s SER 25 Ca 0.00 -1.72 0.17 0.00 0.48 0.00 0.00 55.95 54.88 2rhe s SER 25 Cb 0.00 0.58 1.13 0.00 0.10 0.00 0.00 66.02 67.83 2rhe s SER 25 CO 0.00 -1.11 1.97 0.00 0.98 0.00 0.00 173.24 175.09 2rhe h ALA 26 N 2.13 2.16 0.00 5.32 0.00 -1.94 -1.80 119.26 125.13 2rhe h ALA 26 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2rhe h ALA 26 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2rhe h ALA 26 CO 0.37 -0.32 -0.20 1.79 0.00 0.00 0.00 179.25 180.88 2rhe h THR 27 N 0.30 0.00 0.00 0.00 1.35 -1.95 -2.96 112.91 109.64 2rhe h THR 27 Ca 0.29 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2rhe h THR 27 Cb 0.73 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2rhe h THR 27 CO -0.07 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.30 2rhe n ASP 28 N -2.29 0.00 -0.29 5.36 3.85 -1.02 -1.10 116.55 121.05 2rhe n ASP 28 Ca 0.05 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.18 2rhe n ASP 28 Cb 0.44 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.42 2rhe n ASP 28 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2rhe h ILE 29 N 0.00 0.78 -0.66 2.12 2.04 -1.75 -0.22 117.51 119.81 2rhe h ILE 29 Ca 0.00 -0.23 0.14 0.00 1.00 0.00 0.00 64.86 65.78 2rhe h ILE 29 Cb 0.00 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 2rhe h ILE 29 CO 0.00 0.12 0.45 1.23 0.00 0.00 0.00 178.15 179.95 2rhe h GLY 30 N 0.66 0.47 0.00 5.37 0.00 -1.44 -3.31 103.07 104.83 2rhe h GLY 30 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2rhe h GLY 30 CO -0.33 0.05 -0.56 1.44 0.00 0.00 0.00 176.54 177.14 2rhe n SER 31 N -4.45 2.62 -4.20 0.19 7.64 -0.90 -4.97 113.62 109.56 2rhe n SER 31 Ca 0.12 -0.24 -0.14 0.00 1.01 0.00 0.00 58.87 59.62 2rhe n SER 31 Cb 0.53 1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 64.64 2rhe n SER 31 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2rhe s ASN 32 N -1.59 1.56 0.28 6.43 0.01 -0.14 -5.05 114.94 116.43 2rhe s ASN 32 Ca -0.00 -0.90 -0.29 0.00 -0.71 0.00 0.00 52.86 50.95 2rhe s ASN 32 Cb 0.00 0.01 -0.10 0.00 0.41 0.00 0.00 41.25 41.57 2rhe s ASN 32 CO 0.02 -0.30 1.36 -0.44 -1.51 0.00 0.00 177.10 176.22 2rhe s SER 33 N -2.76 6.75 0.02 -1.22 0.01 -1.26 -4.45 113.70 110.79 2rhe s SER 33 Ca 0.10 2.64 -0.11 0.00 1.31 0.00 0.00 55.95 59.89 2rhe s SER 33 Cb -0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2rhe s SER 33 CO -0.00 -0.59 0.36 -0.69 0.41 0.00 0.00 173.24 172.73 2rhe s VAL 34 N -0.53 5.13 0.13 3.43 1.01 -1.26 -4.25 120.40 124.06 2rhe s VAL 34 Ca 0.54 0.54 0.10 0.00 0.00 0.00 0.00 61.98 63.16 2rhe s VAL 34 Cb -0.40 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2rhe s VAL 34 CO 0.47 0.44 -0.24 -0.63 0.00 0.00 0.00 175.10 175.14 2rhe s ILE 35 N -1.23 2.46 -0.02 2.22 1.01 -0.55 -1.62 121.20 123.46 2rhe s ILE 35 Ca 0.27 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 59.29 2rhe s ILE 35 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2rhe s ILE 35 CO 0.15 0.09 -0.14 0.26 0.00 0.00 0.00 174.94 175.29 2rhe s TRP 36 N -1.09 1.38 0.04 3.97 0.52 -0.43 -1.60 118.94 121.72 2rhe s TRP 36 Ca 0.15 -0.32 -0.08 0.00 0.02 0.00 0.00 56.10 55.87 2rhe s TRP 36 Cb -0.10 -0.92 -0.00 0.00 -1.15 0.00 0.00 33.47 31.30 2rhe s TRP 36 CO 0.07 -0.08 0.17 1.52 0.02 0.00 0.00 176.95 178.65 2rhe s TYR 37 N -0.12 0.10 0.00 -1.98 1.13 -0.72 -0.83 117.35 114.93 2rhe s TYR 37 Ca 0.01 -0.35 -0.05 0.00 -1.41 0.00 0.00 57.07 55.27 2rhe s TYR 37 Cb -0.08 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.67 2rhe s TYR 37 CO 0.00 -0.41 0.24 -0.65 -2.51 0.00 0.00 175.55 172.22 2rhe s GLN 38 N -2.61 3.53 -0.19 -3.49 -0.21 -0.53 -0.79 119.66 115.38 2rhe s GLN 38 Ca -0.05 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.02 2rhe s GLN 38 Cb -0.01 -3.08 0.05 0.00 1.00 0.00 0.00 33.01 30.97 2rhe s GLN 38 CO -0.04 0.66 0.48 -1.14 -2.12 0.00 0.00 175.29 173.12 2rhe s GLN 39 N -1.84 0.52 -0.13 2.91 0.74 -0.91 -0.60 119.66 120.36 2rhe s GLN 39 Ca 0.28 0.76 -0.19 0.00 0.05 0.00 0.00 55.36 56.26 2rhe s GLN 39 Cb -0.13 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 2rhe s GLN 39 CO 0.17 -0.10 0.50 0.08 -0.55 0.00 0.00 175.29 175.38 2rhe s VAL 40 N 0.74 5.17 0.29 1.34 1.01 -1.26 -4.39 120.40 123.30 2rhe s VAL 40 Ca -0.04 0.98 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 2rhe s VAL 40 Cb -0.05 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 2rhe s VAL 40 CO -0.05 0.30 1.33 -2.65 0.00 0.00 0.00 175.10 174.03 2rhe n PRO 41 N 3.82 2.06 -1.00 2.72 -0.02 -1.26 -2.02 135.00 139.30 2rhe n PRO 41 Ca -0.06 0.73 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2rhe n PRO 41 Cb 0.51 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2rhe n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rhe n GLY 42 N 1.41 0.49 3.26 -1.23 0.00 -1.26 -5.03 105.19 102.83 2rhe n GLY 42 Ca 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2rhe n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rhe s LYS 43 N -0.04 1.07 0.49 1.61 1.02 -0.86 -5.12 119.74 117.90 2rhe s LYS 43 Ca 0.00 -1.30 -0.23 0.00 0.02 0.00 0.00 55.97 54.46 2rhe s LYS 43 Cb 0.00 -0.93 -0.07 0.00 -0.52 0.00 0.00 37.83 36.32 2rhe s LYS 43 CO 0.00 0.17 1.29 0.00 -0.92 0.00 0.00 175.35 175.90 2rhe s ALA 44 N -2.31 2.98 0.50 5.17 0.00 -1.26 -4.63 121.76 122.21 2rhe s ALA 44 Ca 0.11 1.20 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 2rhe s ALA 44 Cb -0.04 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 2rhe s ALA 44 CO 0.03 -1.04 1.16 -2.14 0.00 0.00 0.00 175.76 173.78 2rhe s PRO 45 N -2.68 3.54 -0.31 0.00 0.02 -1.26 -4.75 135.00 129.55 2rhe s PRO 45 Ca 0.65 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 63.29 2rhe s PRO 45 Cb -0.37 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 2rhe s PRO 45 CO 0.45 -0.72 0.21 0.15 -0.33 0.00 0.00 177.00 176.75 2rhe s LYS 46 N -2.96 3.62 -0.06 5.54 1.02 0.23 -4.97 119.74 122.16 2rhe s LYS 46 Ca 0.68 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.83 2rhe s LYS 46 Cb -0.27 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.30 2rhe s LYS 46 CO 0.32 -0.35 1.01 -1.17 -0.92 0.00 0.00 175.35 174.24 2rhe s LEU 47 N 1.72 4.30 -0.16 3.17 2.96 -1.26 -1.45 118.68 127.95 2rhe s LEU 47 Ca 0.06 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 2rhe s LEU 47 Cb -0.17 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.85 2rhe s LEU 47 CO 0.10 -0.38 -0.14 0.18 -1.32 0.00 0.00 176.35 174.79 2rhe n LEU 48 N 4.55 2.96 -3.86 -0.68 4.77 -0.01 -4.85 117.00 119.88 2rhe n LEU 48 Ca 0.08 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2rhe n LEU 48 Cb 0.49 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2rhe n LEU 48 CO 0.52 0.77 -0.36 -0.63 -1.33 0.00 0.00 177.39 176.36 2rhe s ILE 49 N -2.33 0.01 0.14 -0.08 -1.09 -0.95 -4.23 121.20 112.67 2rhe s ILE 49 Ca -0.22 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 2rhe s ILE 49 Cb 0.06 -0.04 -0.04 0.00 -1.58 0.00 0.00 42.46 40.85 2rhe s ILE 49 CO 0.38 0.02 -0.06 -0.72 -1.23 0.00 0.00 174.94 173.34 2rhe s TYR 50 N 0.20 1.11 -1.39 3.97 -0.85 -0.60 -1.31 117.35 118.47 2rhe s TYR 50 Ca -0.02 -0.90 -0.06 0.00 -0.52 0.00 0.00 57.07 55.57 2rhe s TYR 50 Cb -0.03 -0.61 0.03 0.00 0.38 0.00 0.00 41.96 41.74 2rhe s TYR 50 CO -0.01 -0.10 0.88 0.66 -1.52 0.00 0.00 175.55 175.47 2rhe n TYR 51 N -0.15 -2.18 0.00 -3.49 4.01 -1.19 -1.54 117.16 112.62 2rhe n TYR 51 Ca -0.10 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 2rhe n TYR 51 Cb 0.61 -4.34 0.00 0.00 -0.31 0.00 0.00 39.34 35.30 2rhe n TYR 51 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2rhe n ASN 52 N -2.97 0.00 -0.07 7.72 3.02 -0.64 -4.05 115.26 118.26 2rhe n ASN 52 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2rhe n ASN 52 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 2rhe n ASN 52 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2rhe n ASP 53 N 1.40 0.00 -4.88 6.41 5.68 -1.21 -4.12 116.55 119.84 2rhe n ASP 53 Ca 0.00 -1.12 -0.36 0.00 -0.50 0.00 0.00 54.79 52.80 2rhe n ASP 53 Cb 0.00 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 39.90 2rhe n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2rhe s LEU 54 N 0.00 4.38 -0.15 -2.12 1.43 -0.59 -4.63 118.68 116.99 2rhe s LEU 54 Ca 0.00 0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 2rhe s LEU 54 Cb 0.00 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2rhe s LEU 54 CO 0.00 0.39 0.62 -0.76 0.23 0.00 0.00 176.35 176.83 2rhe s LEU 55 N -1.17 4.20 1.06 1.79 1.02 -1.26 -1.56 118.68 122.77 2rhe s LEU 55 Ca 0.17 0.91 -0.14 0.00 0.02 0.00 0.00 54.13 55.09 2rhe s LEU 55 Cb -0.12 -2.90 0.22 0.00 0.02 0.00 0.00 46.19 43.41 2rhe s LEU 55 CO 0.06 -0.19 1.09 -2.84 0.02 0.00 0.00 176.35 174.49 2rhe s PRO 56 N 1.44 -0.04 0.40 1.29 0.02 -1.26 -4.98 135.00 131.88 2rhe s PRO 56 Ca 0.30 0.39 -0.26 0.00 0.02 0.00 0.00 61.00 61.45 2rhe s PRO 56 Cb -0.16 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 2rhe s PRO 56 CO 0.12 -3.02 1.28 -1.13 -0.33 0.00 0.00 177.00 173.92 2rhe n SER 57 N -4.36 2.65 0.00 2.53 3.41 -1.26 -2.82 113.62 113.78 2rhe n SER 57 Ca 0.06 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2rhe n SER 57 Cb 0.58 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2rhe n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rhe n GLY 58 N 0.79 1.98 3.78 5.00 0.00 -1.26 -5.01 105.19 110.46 2rhe n GLY 58 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2rhe n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rhe s VAL 59 N -3.34 4.98 0.34 1.61 1.01 -1.13 -5.04 120.40 118.83 2rhe s VAL 59 Ca 0.00 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 2rhe s VAL 59 Cb 0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 2rhe s VAL 59 CO 0.00 0.45 1.37 -0.24 0.00 0.00 0.00 175.10 176.68 2rhe n SER 60 N 2.59 3.10 0.00 3.32 2.88 -1.26 -4.89 113.62 119.36 2rhe n SER 60 Ca -0.09 1.21 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 2rhe n SER 60 Cb 0.51 -1.52 0.38 0.00 -0.75 0.00 0.00 64.21 62.84 2rhe n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2rhe n ASP 61 N 0.87 0.00 0.25 -3.46 5.75 -1.26 -2.25 116.55 116.46 2rhe n ASP 61 Ca 0.04 -0.68 0.16 0.00 -0.01 0.00 0.00 54.79 54.30 2rhe n ASP 61 Cb 0.36 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.06 2rhe n ASP 61 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2rhe h ARG 62 N 0.00 0.00 -6.04 0.11 3.08 -1.90 -3.44 114.38 106.20 2rhe h ARG 62 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2rhe h ARG 62 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2rhe h ARG 62 CO 0.00 0.00 -0.21 -0.06 -1.07 0.00 0.00 179.97 178.63 2rhe s PHE 63 N -3.58 3.69 0.16 3.04 0.08 -0.95 -1.10 117.98 119.32 2rhe s PHE 63 Ca 0.02 0.94 -0.12 0.00 0.12 0.00 0.00 56.93 57.89 2rhe s PHE 63 Cb 0.09 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2rhe s PHE 63 CO 0.54 0.61 0.35 -1.54 -0.10 0.00 0.00 175.22 175.08 2rhe s SER 64 N -1.27 -0.06 0.12 1.36 1.04 -0.73 -5.00 113.70 109.16 2rhe s SER 64 Ca 0.26 -0.69 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 2rhe s SER 64 Cb -0.16 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2rhe s SER 64 CO 0.15 -0.92 0.36 0.00 0.98 0.00 0.00 173.24 173.81 2rhe s ALA 65 N -3.92 -0.79 0.11 5.32 0.00 -1.26 -0.55 121.76 120.67 2rhe s ALA 65 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 2rhe s ALA 65 Cb 0.02 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2rhe s ALA 65 CO -0.03 -0.62 0.28 -1.54 0.00 0.00 0.00 175.76 173.85 2rhe s SER 66 N -2.82 -0.02 -0.03 0.00 1.04 -0.47 -4.63 113.70 106.78 2rhe s SER 66 Ca 0.03 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 2rhe s SER 66 Cb 0.02 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2rhe s SER 66 CO -0.12 -0.80 0.05 -0.75 0.98 0.00 0.00 173.24 172.60 2rhe s LYS 67 N -3.86 0.01 -0.12 4.02 2.36 -1.26 -0.90 119.74 119.99 2rhe s LYS 67 Ca 0.06 0.18 -0.04 0.00 -2.55 0.00 0.00 55.97 53.62 2rhe s LYS 67 Cb 0.03 -0.15 0.06 0.00 -1.05 0.00 0.00 37.83 36.73 2rhe s LYS 67 CO -0.10 -0.11 0.16 0.45 1.55 0.00 0.00 175.35 177.30 2rhe s SER 68 N 0.74 1.20 1.71 1.43 0.15 -0.23 -5.01 113.70 113.68 2rhe s SER 68 Ca -0.06 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2rhe s SER 68 Cb -0.08 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2rhe s SER 68 CO -0.03 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2rhe n GLY 69 N 5.31 3.19 1.35 9.45 0.00 -1.26 -2.26 105.19 120.97 2rhe n GLY 69 Ca -0.05 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2rhe n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rhe n THR 70 N 0.00 1.85 -4.50 2.61 -2.24 -1.26 -3.83 114.28 106.91 2rhe n THR 70 Ca 0.00 -1.30 -0.25 0.00 -2.27 0.00 0.00 64.05 60.23 2rhe n THR 70 Cb 0.00 0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 2rhe n THR 70 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2rhe s SER 71 N -1.09 2.59 0.07 3.42 0.01 -0.96 -0.77 113.70 116.96 2rhe s SER 71 Ca 0.46 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.15 2rhe s SER 71 Cb 0.31 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2rhe s SER 71 CO 0.20 0.13 -0.10 0.00 0.41 0.00 0.00 173.24 173.88 2rhe s ALA 72 N -0.96 0.88 -0.02 1.44 0.00 0.04 -1.07 121.76 122.08 2rhe s ALA 72 Ca 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2rhe s ALA 72 Cb -0.09 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2rhe s ALA 72 CO 0.03 0.00 0.05 0.45 0.00 0.00 0.00 175.76 176.29 2rhe s SER 73 N -1.95 -0.04 -0.19 0.00 0.15 -0.08 -0.72 113.70 110.88 2rhe s SER 73 Ca -0.03 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.67 2rhe s SER 73 Cb -0.07 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 2rhe s SER 73 CO 0.00 -0.03 -0.01 -0.22 1.20 0.00 0.00 173.24 174.19 2rhe s LEU 74 N 0.13 3.29 -0.07 3.45 2.96 -0.58 -1.37 118.68 126.49 2rhe s LEU 74 Ca -0.01 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2rhe s LEU 74 Cb -0.01 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2rhe s LEU 74 CO -0.00 0.10 -0.14 0.00 -1.32 0.00 0.00 176.35 174.99 2rhe s ALA 75 N 0.80 2.67 -0.26 5.97 0.00 0.29 -0.44 121.76 130.78 2rhe s ALA 75 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2rhe s ALA 75 Cb -0.14 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 21.99 2rhe s ALA 75 CO 0.02 0.49 -0.07 0.42 0.00 0.00 0.00 175.76 176.63 2rhe s ILE 76 N -0.51 2.66 0.36 0.00 1.01 -0.46 -1.77 121.20 122.48 2rhe s ILE 76 Ca 0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 2rhe s ILE 76 Cb -0.12 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2rhe s ILE 76 CO 0.02 0.07 0.63 -0.44 0.00 0.00 0.00 174.94 175.22 2rhe s SER 77 N 1.24 6.40 -1.35 3.58 0.01 -0.26 -1.26 113.70 122.06 2rhe s SER 77 Ca -0.04 0.78 -0.03 0.00 1.31 0.00 0.00 55.95 57.98 2rhe s SER 77 Cb -0.18 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2rhe s SER 77 CO -0.04 -0.32 0.77 0.61 0.41 0.00 0.00 173.24 174.66 2rhe n GLY 78 N -1.41 -0.34 3.52 3.44 0.00 -1.18 -4.80 105.19 104.43 2rhe n GLY 78 Ca -0.01 0.14 -0.58 0.00 0.00 0.00 0.00 46.02 45.57 2rhe n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2rhe n LEU 79 N -4.37 0.35 -4.32 0.99 7.94 -0.29 -4.47 117.00 112.83 2rhe n LEU 79 Ca -0.23 1.15 -0.20 0.00 -1.11 0.00 0.00 56.01 55.63 2rhe n LEU 79 Cb 0.65 -0.97 -0.11 0.00 0.53 0.00 0.00 43.42 43.51 2rhe n LEU 79 CO 0.70 -1.72 -0.46 -1.61 -1.11 0.00 0.00 177.39 173.19 2rhe s GLU 80 N 0.15 1.25 0.37 1.96 2.02 -1.26 -1.35 118.70 121.84 2rhe s GLU 80 Ca 0.90 -1.46 0.11 0.00 0.02 0.00 0.00 54.97 54.54 2rhe s GLU 80 Cb -1.21 -1.15 0.89 0.00 0.10 0.00 0.00 34.13 32.76 2rhe s GLU 80 CO 0.55 0.21 1.86 0.66 0.02 0.00 0.00 175.26 178.56 2rhe h SER 81 N 2.99 0.59 0.29 -0.19 4.64 -1.94 -0.48 113.55 119.43 2rhe h SER 81 Ca -0.40 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2rhe h SER 81 Cb 1.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2rhe h SER 81 CO 0.56 0.27 0.00 1.05 -0.87 0.00 0.00 176.83 177.84 2rhe h GLU 82 N 0.61 0.00 0.00 4.77 4.11 -2.00 -2.56 114.58 119.50 2rhe h GLU 82 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2rhe h GLU 82 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2rhe h GLU 82 CO -0.21 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.62 2rhe n ASP 83 N -2.31 0.00 -4.65 3.06 10.43 -0.19 -4.79 116.55 118.10 2rhe n ASP 83 Ca -0.00 0.21 -0.43 0.00 2.57 0.00 0.00 54.79 57.14 2rhe n ASP 83 Cb 0.11 -0.40 -0.03 0.00 1.84 0.00 0.00 41.12 42.65 2rhe n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2rhe s GLU 84 N -2.80 4.09 -0.03 -1.24 2.12 -0.97 -4.88 118.70 115.00 2rhe s GLU 84 Ca 0.19 2.00 -0.29 0.00 0.36 0.00 0.00 54.97 57.23 2rhe s GLU 84 Cb 0.18 -3.97 0.09 0.00 0.26 0.00 0.00 34.13 30.70 2rhe s GLU 84 CO 0.46 -0.94 1.30 0.00 -0.54 0.00 0.00 175.26 175.54 2rhe s ALA 85 N 4.26 -2.54 -0.24 6.30 0.00 -1.14 -5.02 121.76 123.38 2rhe s ALA 85 Ca 0.71 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 2rhe s ALA 85 Cb -0.30 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2rhe s ALA 85 CO 0.27 -1.16 0.15 -0.51 0.00 0.00 0.00 175.76 174.51 2rhe s ASP 86 N -3.86 6.02 -0.15 0.00 1.11 -1.26 -1.29 116.67 117.23 2rhe s ASP 86 Ca 0.30 0.09 -0.04 0.00 0.18 0.00 0.00 52.55 53.08 2rhe s ASP 86 Cb -0.01 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.87 2rhe s ASP 86 CO -0.01 0.07 -0.02 -0.31 1.18 0.00 0.00 175.17 176.07 2rhe s TYR 87 N 1.05 3.06 0.06 4.23 1.51 -0.55 -2.14 117.35 124.56 2rhe s TYR 87 Ca 0.07 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 2rhe s TYR 87 Cb -0.14 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2rhe s TYR 87 CO 0.04 0.03 -0.19 0.71 -1.11 0.00 0.00 175.55 175.04 2rhe s TYR 88 N 0.25 1.63 0.02 2.71 2.02 0.03 -0.85 117.35 123.16 2rhe s TYR 88 Ca -0.02 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2rhe s TYR 88 Cb -0.14 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 2rhe s TYR 88 CO 0.03 0.10 0.04 0.00 -1.57 0.00 0.00 175.55 174.15 2rhe s ALA 90 N -1.20 -0.13 -0.02 0.00 0.00 -0.63 -1.75 121.76 118.03 2rhe s ALA 90 Ca 0.23 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 2rhe s ALA 90 Cb -0.12 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.32 2rhe s ALA 90 CO 0.14 -0.31 0.70 0.00 0.00 0.00 0.00 175.76 176.30 2rhe s ALA 91 N -2.47 -1.76 0.31 0.00 0.00 -0.85 -1.49 121.76 115.51 2rhe s ALA 91 Ca -0.06 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 2rhe s ALA 91 Cb -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 2rhe s ALA 91 CO -0.04 -0.44 1.39 -0.46 0.00 0.00 0.00 175.76 176.21 2rhe s TRP 92 N -1.68 2.94 -0.18 0.00 -0.11 -1.26 -0.71 118.94 117.93 2rhe s TRP 92 Ca -0.08 1.23 0.00 0.00 1.22 0.00 0.00 56.10 58.48 2rhe s TRP 92 Cb -0.00 -3.80 0.02 0.00 -1.50 0.00 0.00 33.47 28.18 2rhe s TRP 92 CO 0.05 -2.38 -0.18 1.21 -4.62 0.00 0.00 176.95 171.03 2rhe s ASN 93 N -0.14 3.30 0.52 5.86 3.84 -0.33 -4.28 114.94 123.72 2rhe s ASN 93 Ca 0.53 -0.61 0.27 0.00 0.21 0.00 0.00 52.86 53.26 2rhe s ASN 93 Cb -0.42 -1.52 1.42 0.00 -0.55 0.00 0.00 41.25 40.18 2rhe s ASN 93 CO 0.52 0.00 2.06 0.44 -2.79 0.00 0.00 177.10 177.33 2rhe h ASP 94 N 7.94 0.00 0.53 -4.21 3.45 -1.39 -0.07 116.42 122.66 2rhe h ASP 94 Ca -0.45 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 56.72 2rhe h ASP 94 Cb 1.15 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.92 2rhe h ASP 94 CO 0.63 0.12 -1.35 0.77 -1.57 0.00 0.00 179.24 177.84 2rhe h SER 95 N 0.00 0.48 1.36 6.45 4.64 -1.93 -3.26 113.55 121.30 2rhe h SER 95 Ca -0.00 -0.55 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 2rhe h SER 95 Cb 0.34 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2rhe h SER 95 CO 0.02 1.44 -0.65 -0.07 -0.87 0.00 0.00 176.83 176.69 2rhe h LEU 96 N 0.08 0.00 0.62 5.97 3.38 -1.83 -3.47 115.31 120.07 2rhe h LEU 96 Ca -0.18 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.41 2rhe h LEU 96 Cb 2.02 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.84 2rhe h LEU 96 CO 0.21 0.13 -0.58 -0.67 0.09 0.00 0.00 178.44 177.62 2rhe n ASP 97 N -2.91 -5.92 -3.66 -0.43 2.03 -0.08 -4.95 116.55 100.62 2rhe n ASP 97 Ca 0.00 -0.31 0.01 0.00 0.52 0.00 0.00 54.79 55.01 2rhe n ASP 97 Cb 0.60 -4.71 0.01 0.00 -0.72 0.00 0.00 41.12 36.31 2rhe n ASP 97 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2rhe s GLU 98 N -5.73 0.66 0.49 -0.67 -1.05 -1.16 -5.01 118.70 106.24 2rhe s GLU 98 Ca 0.33 -0.42 -0.21 0.00 -0.15 0.00 0.00 54.97 54.52 2rhe s GLU 98 Cb -0.14 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.67 2rhe s GLU 98 CO 0.41 -0.31 1.12 -1.25 0.95 0.00 0.00 175.26 176.17 2rhe s PRO 99 N -2.16 3.63 0.07 -4.83 0.04 -1.26 -1.18 135.00 129.30 2rhe s PRO 99 Ca 0.24 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.95 2rhe s PRO 99 Cb -0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2rhe s PRO 99 CO 0.01 -0.62 -0.10 0.20 0.04 0.00 0.00 177.00 176.52 2rhe s GLY 100 N -1.67 1.75 0.10 0.56 0.00 0.11 -4.81 107.32 103.36 2rhe s GLY 100 Ca 0.68 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 44.27 2rhe s GLY 100 CO 0.28 -1.11 -0.12 -1.36 0.00 0.00 0.00 173.10 170.79 2rhe s PHE 101 N -1.11 1.21 0.80 1.90 0.40 -1.26 -2.01 117.98 117.92 2rhe s PHE 101 Ca 0.19 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2rhe s PHE 101 Cb -0.11 -0.66 0.08 0.00 0.51 0.00 0.00 43.02 42.84 2rhe s PHE 101 CO 0.11 0.07 1.17 0.20 0.70 0.00 0.00 175.22 177.46 2rhe s GLY 102 N -2.28 1.59 0.00 4.36 0.00 -0.72 -2.01 107.32 108.27 2rhe s GLY 102 Ca 0.05 -0.61 0.27 0.00 0.00 0.00 0.00 44.72 44.43 2rhe s GLY 102 CO 0.02 -0.13 1.71 0.61 0.00 0.00 0.00 173.10 175.31 2rhe n GLY 103 N -3.22 -1.11 0.00 0.20 0.00 -1.26 -3.08 105.19 96.72 2rhe n GLY 103 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2rhe n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rhe n GLY 104 N 1.40 0.31 2.95 -0.02 0.00 -1.26 -4.94 105.19 103.63 2rhe n GLY 104 Ca 0.10 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 2rhe n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rhe s THR 105 N -2.15 1.25 -0.29 2.61 2.01 -0.03 -4.35 115.64 114.69 2rhe s THR 105 Ca 0.00 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 2rhe s THR 105 Cb 0.00 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.28 2rhe s THR 105 CO 0.00 0.39 0.93 -0.75 -0.69 0.00 0.00 174.62 174.50 2rhe s LYS 106 N 1.62 4.09 -0.23 4.92 2.47 -0.57 -1.49 119.74 130.55 2rhe s LYS 106 Ca 0.05 0.94 -0.10 0.00 -1.56 0.00 0.00 55.97 55.30 2rhe s LYS 106 Cb -0.13 -3.70 -0.05 0.00 -1.46 0.00 0.00 37.83 32.49 2rhe s LYS 106 CO -0.09 -0.71 0.14 -1.17 0.16 0.00 0.00 175.35 173.68 2rhe s LEU 107 N 3.20 4.07 -0.12 5.43 2.96 -0.41 -1.36 118.68 132.45 2rhe s LEU 107 Ca 0.39 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2rhe s LEU 107 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2rhe s LEU 107 CO 0.11 0.08 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.24 2rhe s THR 108 N 0.94 3.38 -0.23 3.68 2.01 -0.42 -2.88 115.64 122.11 2rhe s THR 108 Ca 0.07 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2rhe s THR 108 Cb -0.13 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2rhe s THR 108 CO 0.03 0.53 0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 2rhe s VAL 109 N 0.14 3.98 0.75 3.82 1.01 -1.26 -2.32 120.40 126.52 2rhe s VAL 109 Ca -0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2rhe s VAL 109 Cb -0.14 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.47 2rhe s VAL 109 CO 0.04 0.38 1.09 -0.76 0.00 0.00 0.00 175.10 175.86 2rhe s LEU 110 N 1.44 2.67 -0.34 3.92 1.43 -0.25 -4.54 118.68 123.01 2rhe s LEU 110 Ca 0.05 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2rhe s LEU 110 Cb -0.15 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2rhe s LEU 110 CO 0.01 -1.73 0.00 0.61 0.23 0.00 0.00 176.35 175.47 2rhe n GLY 111 N -3.11 0.54 3.96 -3.19 0.00 -1.26 -4.24 105.19 97.89 2rhe n GLY 111 Ca 0.08 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2rhe n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rhe s GLN 112 N -2.75 3.32 0.45 1.61 -0.21 -1.26 -5.03 119.66 115.79 2rhe s GLN 112 Ca 0.00 -0.84 -0.25 0.00 0.02 0.00 0.00 55.36 54.29 2rhe s GLN 112 Cb 0.00 -2.85 -0.08 0.00 1.00 0.00 0.00 33.01 31.09 2rhe s GLN 112 CO 0.00 0.34 1.35 -2.14 -2.12 0.00 0.00 175.29 172.72 2rhe s PRO 113 N -4.01 3.68 0.00 2.91 0.02 -1.26 -5.24 135.00 131.10 2rhe s PRO 113 Ca 0.36 2.23 0.23 0.00 0.02 0.00 0.00 61.00 63.85 2rhe s PRO 113 Cb -0.09 -2.59 1.39 0.00 0.02 0.00 0.00 34.50 33.23 2rhe s PRO 113 CO 0.29 -0.75 1.76 1.17 -0.33 0.00 0.00 177.00 179.14