#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h79 s PRO 14 N 0.00 4.28 -0.04 -0.14 0.02 -1.26 -5.02 135.00 132.83 3h79 s PRO 14 Ca 0.00 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 3h79 s PRO 14 Cb 0.00 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.51 3h79 s PRO 14 CO 0.00 -0.29 0.36 0.45 -0.33 0.00 0.00 177.00 177.18 3h79 s SER 15 N -0.38 -0.27 -0.12 2.53 0.15 -1.26 -4.57 113.70 109.77 3h79 s SER 15 Ca 0.50 0.27 0.15 0.00 0.70 0.00 0.00 55.95 57.57 3h79 s SER 15 Cb -0.42 0.42 0.27 0.00 -1.71 0.00 0.00 66.02 64.59 3h79 s SER 15 CO 0.56 -0.40 1.14 0.54 1.20 0.00 0.00 173.24 176.28 3h79 n ARG 16 N 1.55 1.06 -2.29 5.44 1.74 -1.26 -5.02 116.66 117.88 3h79 n ARG 16 Ca -0.20 -2.41 -0.41 0.00 -0.77 0.00 0.00 57.85 54.06 3h79 n ARG 16 Cb 0.56 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 3h79 n ARG 16 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h79 s VAL 17 N -2.33 3.26 -0.21 1.55 1.01 -1.26 -4.67 120.40 117.75 3h79 s VAL 17 Ca 0.28 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 3h79 s VAL 17 Cb 0.25 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3h79 s VAL 17 CO -0.00 0.22 0.49 -0.69 0.00 0.00 0.00 175.10 175.12 3h79 s VAL 18 N -0.50 5.12 -0.39 2.92 1.01 -0.15 -4.96 120.40 123.45 3h79 s VAL 18 Ca 0.51 0.89 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 3h79 s VAL 18 Cb -0.35 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3h79 s VAL 18 CO 0.42 0.18 0.92 -0.70 0.00 0.00 0.00 175.10 175.92 3h79 s GLU 19 N 1.65 3.78 0.47 2.72 2.56 -1.26 -0.89 118.70 127.73 3h79 s GLU 19 Ca 0.23 0.49 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 3h79 s GLU 19 Cb -0.15 -3.83 -0.05 0.00 2.00 0.00 0.00 34.13 32.10 3h79 s GLU 19 CO 0.09 -1.00 0.82 -0.51 -0.56 0.00 0.00 175.26 174.10 3h79 s LEU 20 N 3.52 3.65 0.39 2.70 1.43 0.28 -4.96 118.68 125.69 3h79 s LEU 20 Ca 0.38 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 3h79 s LEU 20 Cb -0.12 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3h79 s LEU 20 CO 0.20 -0.55 0.10 0.42 0.23 0.00 0.00 176.35 176.75 3h79 s THR 21 N -2.65 0.80 0.46 5.49 -4.23 -1.26 -4.61 115.64 109.63 3h79 s THR 21 Ca 0.50 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.18 3h79 s THR 21 Cb -0.10 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.48 3h79 s THR 21 CO 0.40 0.00 2.04 -2.24 -0.54 0.00 0.00 174.62 174.28 3h79 h ASP 22 N 1.87 0.00 0.45 3.99 3.04 -1.96 -0.72 116.42 123.10 3h79 h ASP 22 Ca -0.37 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.21 3h79 h ASP 22 Cb 1.27 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3h79 h ASP 22 CO 0.62 0.14 -0.90 -0.33 -2.04 0.00 0.00 179.24 176.72 3h79 h GLU 23 N 0.00 0.31 -0.02 4.15 5.08 -2.03 -3.31 114.58 118.76 3h79 h GLU 23 Ca -0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3h79 h GLU 23 Cb 0.26 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3h79 h GLU 23 CO 0.02 1.03 -0.34 0.25 -1.00 0.00 0.00 179.01 178.96 3h79 n THR 24 N -3.71 0.00 0.15 1.13 -2.24 -1.05 -4.65 114.28 103.90 3h79 n THR 24 Ca -0.05 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 3h79 n THR 24 Cb 0.82 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 70.04 3h79 n THR 24 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3h79 h PHE 25 N 2.47 -0.43 -0.43 4.78 3.57 -1.23 -2.36 116.94 123.30 3h79 h PHE 25 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3h79 h PHE 25 Cb 0.72 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3h79 h PHE 25 CO 0.00 -0.26 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.24 3h79 h ASP 26 N -0.39 0.81 -0.02 0.41 5.19 -1.83 0.87 116.42 121.46 3h79 h ASP 26 Ca -0.01 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 3h79 h ASP 26 Cb 0.35 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3h79 h ASP 26 CO -0.02 0.96 -0.02 0.77 -3.12 0.00 0.00 179.24 177.81 3h79 h SER 27 N 0.72 0.13 0.01 6.45 4.64 -1.74 -0.66 113.55 123.10 3h79 h SER 27 Ca 0.11 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.13 3h79 h SER 27 Cb 0.64 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 3h79 h SER 27 CO 0.04 0.18 -1.58 -0.38 -0.87 0.00 0.00 176.83 174.23 3h79 n ILE 28 N -4.42 1.55 0.04 0.95 2.08 -0.93 -4.03 119.36 114.60 3h79 n ILE 28 Ca -0.01 -0.14 -0.12 0.00 0.56 0.00 0.00 62.75 63.03 3h79 n ILE 28 Cb 0.16 -1.98 -0.00 0.00 -0.75 0.00 0.00 39.64 37.07 3h79 n ILE 28 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3h79 h VAL 29 N -0.92 1.36 -0.48 1.39 2.07 -0.83 -3.10 116.25 115.74 3h79 h VAL 29 Ca -0.43 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3h79 h VAL 29 Cb 1.42 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 3h79 h VAL 29 CO -0.23 0.65 0.00 0.23 0.02 0.00 0.00 177.57 178.24 3h79 n MET 30 N -3.84 2.13 -1.79 1.57 2.81 -0.26 -4.70 117.12 113.04 3h79 n MET 30 Ca -0.05 -1.76 -0.42 0.00 -1.81 0.00 0.00 57.70 53.66 3h79 n MET 30 Cb 0.73 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.83 3h79 n MET 30 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3h79 s ASP 31 N -1.03 6.50 0.00 7.83 3.68 -1.18 -4.86 116.67 127.61 3h79 s ASP 31 Ca 0.33 2.64 0.23 0.00 2.13 0.00 0.00 52.55 57.88 3h79 s ASP 31 Cb 0.17 -2.56 1.13 0.00 -1.45 0.00 0.00 42.92 40.21 3h79 s ASP 31 CO 0.23 -0.97 1.76 -0.81 0.13 0.00 0.00 175.17 175.51 3h79 n PRO 32 N 5.97 0.25 0.00 4.34 -0.04 -1.26 -1.85 135.00 142.41 3h79 n PRO 32 Ca 0.17 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3h79 n PRO 32 Cb 0.39 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.69 3h79 n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h79 n GLU 33 N -1.34 1.27 -4.61 0.54 1.02 -1.26 -4.69 120.64 111.58 3h79 n GLU 33 Ca 0.10 -0.84 -0.29 0.00 -0.02 0.00 0.00 57.16 56.11 3h79 n GLU 33 Cb 0.20 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 3h79 n GLU 33 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3h79 s LYS 34 N -2.31 1.56 -0.37 3.49 -0.14 -0.77 -4.75 119.74 116.45 3h79 s LYS 34 Ca 0.28 -1.23 -0.12 0.00 -1.36 0.00 0.00 55.97 53.53 3h79 s LYS 34 Cb 0.20 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.46 3h79 s LYS 34 CO 0.45 0.47 0.23 -0.51 -0.76 0.00 0.00 175.35 175.23 3h79 s ASP 35 N -1.69 5.85 -0.25 2.83 1.01 -0.29 -3.18 116.67 120.97 3h79 s ASP 35 Ca 0.13 -0.83 -0.03 0.00 0.71 0.00 0.00 52.55 52.53 3h79 s ASP 35 Cb -0.10 -2.07 0.02 0.00 1.01 0.00 0.00 42.92 41.77 3h79 s ASP 35 CO 0.04 -0.36 -0.04 -0.69 0.21 0.00 0.00 175.17 174.33 3h79 s VAL 36 N 1.62 3.09 -0.33 -1.27 1.01 -0.09 -0.92 120.40 123.51 3h79 s VAL 36 Ca 0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 3h79 s VAL 36 Cb -0.19 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3h79 s VAL 36 CO 0.08 0.25 0.21 0.12 0.00 0.00 0.00 175.10 175.76 3h79 s PHE 37 N 1.38 3.21 -0.21 5.22 2.19 0.43 -0.65 117.98 129.55 3h79 s PHE 37 Ca 0.02 -0.32 -0.11 0.00 0.33 0.00 0.00 56.93 56.86 3h79 s PHE 37 Cb -0.16 -2.44 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 3h79 s PHE 37 CO -0.04 -0.39 0.16 0.08 1.83 0.00 0.00 175.22 176.87 3h79 s VAL 38 N 1.69 5.38 -0.29 3.12 1.01 0.11 -1.17 120.40 130.25 3h79 s VAL 38 Ca 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 3h79 s VAL 38 Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3h79 s VAL 38 CO 0.09 0.40 0.22 -0.22 0.00 0.00 0.00 175.10 175.59 3h79 s LEU 39 N 0.64 4.11 -0.24 3.92 2.96 -0.11 -1.48 118.68 128.47 3h79 s LEU 39 Ca 0.09 -0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 3h79 s LEU 39 Cb -0.12 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3h79 s LEU 39 CO 0.01 -0.10 0.31 -0.31 -1.32 0.00 0.00 176.35 174.94 3h79 s TYR 40 N 1.80 3.29 0.19 5.38 1.51 0.10 -0.89 117.35 128.73 3h79 s TYR 40 Ca 0.08 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 3h79 s TYR 40 Cb -0.16 -2.47 -0.05 0.00 -0.11 0.00 0.00 41.96 39.17 3h79 s TYR 40 CO 0.11 -0.09 0.02 1.52 -1.11 0.00 0.00 175.55 175.99 3h79 s TYR 41 N 1.59 1.28 -0.06 2.71 -0.85 -0.71 -1.63 117.35 119.68 3h79 s TYR 41 Ca 0.13 -1.04 0.05 0.00 -0.52 0.00 0.00 57.07 55.69 3h79 s TYR 41 Cb -0.15 -0.73 -0.00 0.00 0.38 0.00 0.00 41.96 41.45 3h79 s TYR 41 CO 0.08 -0.23 -0.21 0.14 -1.52 0.00 0.00 175.55 173.81 3h79 s VAL 42 N -3.67 1.78 -0.15 -3.49 -7.23 -1.26 -0.41 120.40 105.97 3h79 s VAL 42 Ca 0.27 -0.90 0.27 0.00 -1.81 0.00 0.00 61.98 59.81 3h79 s VAL 42 Cb 0.06 -1.53 0.34 0.00 0.56 0.00 0.00 36.38 35.82 3h79 s VAL 42 CO 0.06 0.50 1.78 1.55 -0.31 0.00 0.00 175.10 178.68 3h79 h PRO 43 N 6.30 0.00 -0.08 4.82 0.13 -1.98 -2.99 132.00 138.20 3h79 h PRO 43 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3h79 h PRO 43 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3h79 h PRO 43 CO 0.47 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.62 3h79 n TRP 44 N -3.13 0.09 -3.57 1.56 2.14 -1.26 -4.68 117.44 108.59 3h79 n TRP 44 Ca 0.02 -0.05 -0.37 0.00 2.07 0.00 0.00 57.50 59.18 3h79 n TRP 44 Cb 0.44 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.87 3h79 n TRP 44 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 3h79 s SER 45 N -1.73 6.49 0.28 -0.67 0.15 -1.13 -5.00 113.70 112.08 3h79 s SER 45 Ca 0.35 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3h79 s SER 45 Cb 0.18 -2.18 0.50 0.00 -1.71 0.00 0.00 66.02 62.81 3h79 s SER 45 CO 0.29 0.17 1.87 -0.09 1.20 0.00 0.00 173.24 176.68 3h79 h ARG 46 N 6.15 1.04 -0.72 5.44 2.43 -1.90 -0.15 114.38 126.67 3h79 h ARG 46 Ca -0.44 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 3h79 h ARG 46 Cb 1.18 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3h79 h ARG 46 CO 0.71 0.69 0.30 0.45 -1.51 0.00 0.00 179.97 180.61 3h79 h HIS 47 N 1.07 1.08 -0.48 2.20 3.86 -1.95 -0.82 115.15 120.11 3h79 h HIS 47 Ca 0.45 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.46 3h79 h HIS 47 Cb 0.32 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3h79 h HIS 47 CO -0.00 0.82 -0.20 0.77 0.86 0.00 0.00 177.93 180.19 3h79 h SER 48 N 1.03 0.99 -0.62 2.45 0.02 -1.57 -1.70 113.55 114.15 3h79 h SER 48 Ca 0.24 -0.37 0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3h79 h SER 48 Cb 0.19 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 3h79 h SER 48 CO -0.02 1.15 0.22 0.58 -1.14 0.00 0.00 176.83 177.62 3h79 h VAL 49 N 0.85 0.74 -0.50 2.27 2.07 -0.84 0.18 116.25 121.03 3h79 h VAL 49 Ca 0.11 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3h79 h VAL 49 Cb 0.76 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3h79 h VAL 49 CO 0.06 0.07 0.30 0.00 0.02 0.00 0.00 177.57 178.03 3h79 h ALA 50 N 1.44 0.64 -0.20 1.67 0.00 -1.09 -1.94 119.26 119.78 3h79 h ALA 50 Ca 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3h79 h ALA 50 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h79 h ALA 50 CO -0.33 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 178.73 3h79 h ALA 51 N 1.21 1.29 -0.48 0.00 0.00 -0.65 -1.66 119.26 118.96 3h79 h ALA 51 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h79 h ALA 51 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h79 h ALA 51 CO -0.08 0.47 0.27 0.52 0.00 0.00 0.00 179.25 180.44 3h79 h MET 52 N 0.32 0.67 -0.58 0.00 2.86 -0.11 -0.16 114.93 117.93 3h79 h MET 52 Ca 0.06 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3h79 h MET 52 Cb 0.54 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3h79 h MET 52 CO 0.04 0.51 0.38 0.00 1.06 0.00 0.00 176.91 178.90 3h79 h ARG 53 N 0.64 0.76 -0.74 1.72 3.08 -1.16 -1.24 114.38 117.44 3h79 h ARG 53 Ca 0.17 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.23 3h79 h ARG 53 Cb 0.03 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3h79 h ARG 53 CO -0.03 0.50 0.45 1.25 -1.07 0.00 0.00 179.97 181.07 3h79 h LEU 54 N 0.78 0.70 -0.89 3.04 5.85 -1.02 -0.87 115.31 122.90 3h79 h LEU 54 Ca 0.21 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3h79 h LEU 54 Cb -0.09 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3h79 h LEU 54 CO -0.05 0.46 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.13 3h79 h TRP 55 N 0.83 0.74 -0.12 1.25 -0.00 -0.27 0.34 115.95 118.72 3h79 h TRP 55 Ca 0.32 -0.13 0.02 0.00 -0.00 0.00 0.00 58.89 59.09 3h79 h TRP 55 Cb 0.12 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 3h79 h TRP 55 CO -0.05 0.77 -0.00 -0.44 -0.00 0.00 0.00 178.44 178.72 3h79 h ASP 56 N 0.61 -0.05 -0.45 2.65 3.32 -0.73 -0.19 116.42 121.58 3h79 h ASP 56 Ca 0.10 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3h79 h ASP 56 Cb 0.58 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3h79 h ASP 56 CO 0.04 -0.01 0.04 0.44 -1.72 0.00 0.00 179.24 178.02 3h79 h ASP 57 N 0.04 0.81 -0.47 6.45 3.32 -0.55 -2.22 116.42 123.80 3h79 h ASP 57 Ca 0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3h79 h ASP 57 Cb 0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3h79 h ASP 57 CO -0.10 0.85 0.27 0.25 -1.72 0.00 0.00 179.24 178.80 3h79 h LEU 58 N 0.79 0.57 -0.92 1.55 5.85 -0.09 0.96 115.31 124.02 3h79 h LEU 58 Ca 0.16 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3h79 h LEU 58 Cb 0.43 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3h79 h LEU 58 CO 0.02 0.47 0.59 0.77 -0.34 0.00 0.00 178.44 179.95 3h79 h SER 59 N 0.62 0.95 -0.24 1.25 4.64 -0.57 0.10 113.55 120.30 3h79 h SER 59 Ca 0.17 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 3h79 h SER 59 Cb 0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3h79 h SER 59 CO -0.03 0.62 -0.52 0.24 -0.87 0.00 0.00 176.83 176.27 3h79 h MET 60 N 1.10 0.78 -0.44 4.77 2.86 -1.14 -2.06 114.93 120.80 3h79 h MET 60 Ca 0.39 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3h79 h MET 60 Cb 0.11 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3h79 h MET 60 CO -0.16 1.14 0.26 1.03 1.06 0.00 0.00 176.91 180.24 3h79 h SER 61 N 0.52 0.54 0.79 1.22 0.87 -0.47 -2.26 113.55 114.77 3h79 h SER 61 Ca 0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3h79 h SER 61 Cb 1.14 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3h79 h SER 61 CO 0.12 0.45 -0.22 1.56 -0.53 0.00 0.00 176.83 178.21 3h79 h GLN 62 N 0.58 0.00 0.00 2.24 1.08 -0.99 -2.06 115.11 115.96 3h79 h GLN 62 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3h79 h GLN 62 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3h79 h GLN 62 CO -0.03 0.22 0.00 0.66 -0.95 0.00 0.00 178.83 178.73 3h79 h SER 63 N 0.00 0.00 -0.49 1.46 4.64 -0.75 -2.49 113.55 115.92 3h79 h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h79 h SER 63 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3h79 h SER 63 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3h79 n GLN 64 N -2.88 2.64 -3.88 4.77 1.13 -0.78 -4.78 117.38 113.60 3h79 n GLN 64 Ca 0.00 -2.28 -0.24 0.00 -1.94 0.00 0.00 57.00 52.54 3h79 n GLN 64 Cb 0.23 -1.42 -0.04 0.00 0.11 0.00 0.00 30.24 29.12 3h79 n GLN 64 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3h79 s LYS 65 N -1.06 2.34 0.50 -1.09 1.02 -0.94 -5.02 119.74 115.50 3h79 s LYS 65 Ca 0.35 -1.79 0.16 0.00 0.02 0.00 0.00 55.97 54.71 3h79 s LYS 65 Cb 0.19 -2.14 1.21 0.00 -0.52 0.00 0.00 37.83 36.56 3h79 s LYS 65 CO 0.25 -0.26 2.11 0.07 -0.92 0.00 0.00 175.35 176.60 3h79 h ARG 66 N 1.13 0.00 -0.72 1.68 0.11 -1.94 -1.83 114.38 112.80 3h79 h ARG 66 Ca -0.41 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3h79 h ARG 66 Cb 1.27 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3h79 h ARG 66 CO 0.63 0.04 0.00 0.09 0.10 0.00 0.00 179.97 180.83 3h79 n ASN 67 N -4.49 2.95 0.32 0.08 3.02 -1.26 -4.57 115.26 111.31 3h79 n ASN 67 Ca -0.03 -2.35 0.20 0.00 -0.03 0.00 0.00 54.58 52.37 3h79 n ASN 67 Cb 0.13 -0.52 1.10 0.00 -0.61 0.00 0.00 39.78 39.88 3h79 n ASN 67 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3h79 h HIS 68 N 1.87 0.00 0.00 3.10 2.07 -1.42 -1.00 115.15 119.76 3h79 h HIS 68 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h79 h HIS 68 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 3h79 h HIS 68 CO 0.46 0.00 -0.57 -0.07 -3.07 0.00 0.00 177.93 174.68 3h79 h LEU 69 N 0.00 0.00 0.00 6.12 3.38 -1.86 -3.35 115.31 119.60 3h79 h LEU 69 Ca 0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3h79 h LEU 69 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3h79 h LEU 69 CO -0.00 0.08 -1.57 0.35 0.09 0.00 0.00 178.44 177.39 3h79 n THR 70 N -2.22 0.34 -2.72 0.22 -2.24 -0.56 -5.00 114.28 102.10 3h79 n THR 70 Ca 0.03 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 3h79 n THR 70 Cb 0.45 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 3h79 n THR 70 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h79 s PHE 71 N -2.46 3.85 -0.04 4.78 5.36 -0.49 -1.13 117.98 127.86 3h79 s PHE 71 Ca -0.04 1.83 0.02 0.00 -0.96 0.00 0.00 56.93 57.78 3h79 s PHE 71 Cb 0.05 -3.05 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 3h79 s PHE 71 CO 0.41 0.23 -0.09 0.08 -1.46 0.00 0.00 175.22 174.39 3h79 s VAL 72 N -0.43 0.79 -0.23 3.12 1.01 -0.09 -4.93 120.40 119.64 3h79 s VAL 72 Ca 0.45 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 3h79 s VAL 72 Cb -0.25 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3h79 s VAL 72 CO 0.31 0.26 0.14 0.00 0.00 0.00 0.00 175.10 175.81 3h79 s ALA 73 N 0.42 3.55 0.13 5.51 0.00 -1.26 -0.43 121.76 129.68 3h79 s ALA 73 Ca -0.07 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.04 3h79 s ALA 73 Cb -0.11 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3h79 s ALA 73 CO 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 175.76 175.48 3h79 s ALA 74 N 1.03 1.42 0.04 0.00 0.00 -0.32 -0.98 121.76 122.97 3h79 s ALA 74 Ca 0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 3h79 s ALA 74 Cb -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3h79 s ALA 74 CO 0.04 -0.04 0.08 -0.98 0.00 0.00 0.00 175.76 174.86 3h79 s ARG 75 N -3.34 0.61 -0.04 0.00 1.70 -0.07 -0.94 118.95 116.88 3h79 s ARG 75 Ca 0.13 -0.84 -0.03 0.00 -0.47 0.00 0.00 55.73 54.52 3h79 s ARG 75 Cb -0.00 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3h79 s ARG 75 CO 0.01 -0.15 0.10 -1.50 -1.08 0.00 0.00 175.30 172.68 3h79 s ILE 76 N -2.90 -0.00 -0.58 4.99 2.07 -0.07 -0.55 121.20 124.15 3h79 s ILE 76 Ca -0.02 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 58.94 3h79 s ILE 76 Cb 0.01 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.47 3h79 s ILE 76 CO -0.06 0.00 1.23 -0.62 -1.91 0.00 0.00 174.94 173.59 3h79 s ASP 77 N 0.11 6.39 0.42 4.50 3.68 -1.26 -1.74 116.67 128.77 3h79 s ASP 77 Ca -0.01 0.11 0.30 0.00 2.13 0.00 0.00 52.55 55.08 3h79 s ASP 77 Cb -0.01 -2.55 1.27 0.00 -1.45 0.00 0.00 42.92 40.17 3h79 s ASP 77 CO -0.00 -1.54 1.88 1.23 0.13 0.00 0.00 175.17 176.87 3h79 h GLY 78 N 12.16 0.00 1.32 2.66 0.00 -1.02 -0.96 103.07 117.23 3h79 h GLY 78 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 3h79 h GLY 78 CO 1.19 0.00 -0.97 -2.09 0.00 0.00 0.00 176.54 174.67 3h79 h GLU 79 N 0.00 0.62 0.00 4.80 4.22 -1.91 -3.07 114.58 119.23 3h79 h GLU 79 Ca 0.00 -0.63 -0.17 0.00 0.08 0.00 0.00 59.36 58.63 3h79 h GLU 79 Cb 0.38 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3h79 h GLU 79 CO 0.00 1.24 -0.82 -0.22 -2.18 0.00 0.00 179.01 177.03 3h79 h LYS 80 N 0.36 0.00 -2.15 1.92 3.64 -1.85 -3.38 116.57 115.12 3h79 h LYS 80 Ca -0.10 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.71 3h79 h LYS 80 Cb 1.61 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 33.02 3h79 h LYS 80 CO 0.18 0.82 -0.80 0.66 -2.27 0.00 0.00 179.45 178.04 3h79 n TYR 81 N -3.33 2.47 0.26 1.91 4.02 -0.40 -4.91 117.16 117.19 3h79 n TYR 81 Ca 0.01 -3.94 0.13 0.00 -0.01 0.00 0.00 57.90 54.08 3h79 n TYR 81 Cb 0.86 -0.48 0.70 0.00 -0.02 0.00 0.00 39.34 40.40 3h79 n TYR 81 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3h79 h PRO 82 N 3.59 0.00 -0.52 -0.72 0.13 -1.72 -2.01 132.00 130.75 3h79 h PRO 82 Ca 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.36 3h79 h PRO 82 Cb 0.70 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.76 3h79 h PRO 82 CO 0.71 0.13 0.09 0.38 -0.23 0.00 0.00 178.00 179.08 3h79 h ASP 83 N 0.00 -0.03 -0.43 1.44 3.04 -1.90 -0.84 116.42 117.70 3h79 h ASP 83 Ca -0.00 0.10 -0.07 0.00 -3.24 0.00 0.00 57.03 53.81 3h79 h ASP 83 Cb 0.42 0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.84 3h79 h ASP 83 CO 0.02 0.01 -0.02 0.58 -2.04 0.00 0.00 179.24 177.79 3h79 h VAL 84 N 0.22 1.26 -0.87 4.15 2.07 -1.77 -1.13 116.25 120.19 3h79 h VAL 84 Ca 0.27 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3h79 h VAL 84 Cb 0.37 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3h79 h VAL 84 CO -0.36 0.36 0.55 0.40 0.02 0.00 0.00 177.57 178.55 3h79 h ILE 85 N 0.61 1.10 -0.15 4.57 1.08 -1.23 0.13 117.51 123.62 3h79 h ILE 85 Ca 0.12 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 3h79 h ILE 85 Cb 0.51 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3h79 h ILE 85 CO 0.03 0.19 0.01 -0.08 -0.69 0.00 0.00 178.15 177.61 3h79 h GLU 86 N 1.05 0.25 -0.64 2.37 4.81 -0.93 -1.60 114.58 119.89 3h79 h GLU 86 Ca 0.36 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 3h79 h GLU 86 Cb 0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3h79 h GLU 86 CO -0.14 0.45 0.18 -0.09 -0.73 0.00 0.00 179.01 178.68 3h79 h ARG 87 N 0.02 0.99 -0.06 1.92 2.43 -0.87 -2.57 114.38 116.24 3h79 h ARG 87 Ca 0.04 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3h79 h ARG 87 Cb 0.33 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3h79 h ARG 87 CO 0.00 0.87 0.00 -1.33 -1.51 0.00 0.00 179.97 178.00 3h79 n MET 88 N -4.26 1.79 -3.51 0.20 2.81 0.43 -4.95 117.12 109.63 3h79 n MET 88 Ca 0.05 -1.15 -0.18 0.00 -1.81 0.00 0.00 57.70 54.60 3h79 n MET 88 Cb 0.23 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 31.35 3h79 n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3h79 n ARG 89 N 0.39 -5.79 -3.56 0.03 1.74 -0.69 -4.99 116.66 103.80 3h79 n ARG 89 Ca 0.18 0.77 -0.37 0.00 -0.77 0.00 0.00 57.85 57.66 3h79 n ARG 89 Cb 0.39 -5.62 -0.07 0.00 -1.02 0.00 0.00 32.46 26.14 3h79 n ARG 89 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h79 s VAL 90 N -3.46 5.27 -0.31 1.55 1.01 -0.70 -5.00 120.40 118.76 3h79 s VAL 90 Ca 0.03 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.63 3h79 s VAL 90 Cb -0.01 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.81 3h79 s VAL 90 CO 0.76 0.45 0.89 -1.54 0.00 0.00 0.00 175.10 175.67 3h79 n SER 91 N 3.01 1.88 -3.85 3.32 3.41 -1.26 -4.78 113.62 115.36 3h79 n SER 91 Ca -0.13 -1.67 0.04 0.00 -0.26 0.00 0.00 58.87 56.85 3h79 n SER 91 Cb 0.52 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 3h79 n SER 91 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h79 s GLY 92 N -0.72 -0.32 0.04 5.00 0.00 -1.26 -5.18 107.32 104.88 3h79 s GLY 92 Ca 0.05 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3h79 s GLY 92 CO 0.04 4.38 -0.07 -1.36 0.00 0.00 0.00 173.10 176.09 3h79 s PHE 93 N -2.01 0.60 0.51 1.90 0.08 -1.26 -3.97 117.98 113.82 3h79 s PHE 93 Ca 0.26 -0.47 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 3h79 s PHE 93 Cb 0.03 -0.36 -0.08 0.00 -0.57 0.00 0.00 43.02 42.04 3h79 s PHE 93 CO -0.04 -0.09 1.01 -1.25 -0.10 0.00 0.00 175.22 174.75 3h79 s PRO 94 N -1.44 3.80 -0.04 0.24 0.04 -1.26 -4.89 135.00 131.46 3h79 s PRO 94 Ca -0.10 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.19 3h79 s PRO 94 Cb -0.09 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3h79 s PRO 94 CO 0.00 -0.41 -0.19 0.99 0.04 0.00 0.00 177.00 177.43 3h79 s THR 95 N -2.26 1.56 -0.15 1.26 2.01 -0.65 -4.99 115.64 112.43 3h79 s THR 95 Ca 0.64 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3h79 s THR 95 Cb -0.13 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.09 3h79 s THR 95 CO 0.25 0.44 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.52 3h79 s MET 96 N -0.17 1.45 -0.01 4.92 -1.94 -1.26 0.02 119.30 122.32 3h79 s MET 96 Ca 0.00 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 3h79 s MET 96 Cb -0.10 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.88 3h79 s MET 96 CO 0.01 -0.38 -0.11 1.03 -0.01 0.00 0.00 175.02 175.57 3h79 s ARG 97 N 1.67 0.90 -0.31 2.03 0.52 -0.55 -0.86 118.95 122.35 3h79 s ARG 97 Ca 0.02 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.81 3h79 s ARG 97 Cb -0.14 -0.87 0.04 0.00 0.52 0.00 0.00 34.95 34.50 3h79 s ARG 97 CO -0.08 0.21 0.05 -0.47 0.02 0.00 0.00 175.30 175.03 3h79 s TYR 98 N -0.17 3.22 -0.72 -0.53 5.04 0.40 -0.71 117.35 123.87 3h79 s TYR 98 Ca 0.03 -1.50 -0.14 0.00 -2.44 0.00 0.00 57.07 53.02 3h79 s TYR 98 Cb -0.05 -2.20 0.19 0.00 0.35 0.00 0.00 41.96 40.25 3h79 s TYR 98 CO -0.00 -0.73 0.66 0.71 -1.34 0.00 0.00 175.55 174.85 3h79 s TYR 99 N 1.36 3.58 0.83 4.97 1.51 0.18 -1.27 117.35 128.52 3h79 s TYR 99 Ca -0.02 -1.80 -0.12 0.00 -1.01 0.00 0.00 57.07 54.11 3h79 s TYR 99 Cb -0.19 -3.78 0.09 0.00 -0.11 0.00 0.00 41.96 37.98 3h79 s TYR 99 CO 0.01 -0.99 1.19 0.95 -1.11 0.00 0.00 175.55 175.59 3h79 s THR 100 N 0.64 2.00 0.21 -0.71 -4.23 -0.71 -0.92 115.64 111.92 3h79 s THR 100 Ca 0.13 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.50 3h79 s THR 100 Cb -0.17 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.92 3h79 s THR 100 CO -0.05 0.00 1.63 0.03 -0.54 0.00 0.00 174.62 175.69 3h79 h ARG 101 N -1.14 0.00 0.00 3.99 3.08 -1.82 -2.26 114.38 116.23 3h79 h ARG 101 Ca -0.46 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.45 3h79 h ARG 101 Cb 1.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3h79 h ARG 101 CO 0.63 0.00 -1.61 1.51 -1.07 0.00 0.00 179.97 179.43 3h79 n ILE 102 N -5.43 0.88 -3.50 2.04 0.13 -1.26 -4.63 119.36 107.58 3h79 n ILE 102 Ca 0.08 -0.65 -0.40 0.00 -1.10 0.00 0.00 62.75 60.67 3h79 n ILE 102 Cb 0.33 -0.48 -0.03 0.00 -0.84 0.00 0.00 39.64 38.62 3h79 n ILE 102 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 3h79 n ASP 103 N -2.70 4.83 -0.01 9.51 2.03 -0.85 -4.78 116.55 124.58 3h79 n ASP 103 Ca -0.10 -3.09 -0.04 0.00 0.52 0.00 0.00 54.79 52.07 3h79 n ASP 103 Cb 0.78 -1.20 -0.12 0.00 -0.72 0.00 0.00 41.12 39.86 3h79 n ASP 103 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3h79 n LYS 104 N 2.46 0.64 0.01 -0.67 4.76 -1.25 -1.74 118.16 122.37 3h79 n LYS 104 Ca 0.23 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 55.96 3h79 n LYS 104 Cb 0.38 -1.74 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 3h79 n LYS 104 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3h79 n GLN 105 N -2.88 0.16 -3.03 1.97 3.00 -1.26 -4.49 117.38 110.86 3h79 n GLN 105 Ca -0.16 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.65 3h79 n GLN 105 Cb 0.95 -1.54 -0.02 0.00 0.00 0.00 0.00 30.24 29.64 3h79 n GLN 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3h79 n GLU 106 N -1.74 1.23 -1.10 -1.09 -0.58 -1.26 -5.12 120.64 110.98 3h79 n GLU 106 Ca 0.03 -3.48 -0.34 0.00 -0.42 0.00 0.00 57.16 52.95 3h79 n GLU 106 Cb 0.39 -1.64 0.10 0.00 -0.57 0.00 0.00 31.44 29.72 3h79 n GLU 106 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3h79 n PRO 107 N 0.14 0.12 -2.75 3.49 -0.04 -1.26 -4.94 135.00 129.76 3h79 n PRO 107 Ca 0.22 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 3h79 n PRO 107 Cb 0.68 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 3h79 n PRO 107 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3h79 s PHE 108 N -2.10 3.55 -0.13 0.54 0.08 -0.39 -4.79 117.98 114.75 3h79 s PHE 108 Ca 0.66 1.55 -0.19 0.00 0.12 0.00 0.00 56.93 59.07 3h79 s PHE 108 Cb -0.30 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 3h79 s PHE 108 CO 0.58 -0.13 0.52 -2.00 -0.10 0.00 0.00 175.22 174.08 3h79 s GLU 109 N 1.62 4.32 -0.27 0.44 2.56 -1.26 -0.45 118.70 125.65 3h79 s GLU 109 Ca 0.47 0.50 -0.18 0.00 0.00 0.00 0.00 54.97 55.76 3h79 s GLU 109 Cb -0.19 -3.46 -0.02 0.00 2.00 0.00 0.00 34.13 32.46 3h79 s GLU 109 CO 0.20 0.08 0.53 -0.47 -0.56 0.00 0.00 175.26 175.04 3h79 s TYR 110 N 0.86 3.26 -0.04 5.30 5.04 -0.04 -4.91 117.35 126.81 3h79 s TYR 110 Ca 0.27 0.61 0.06 0.00 -2.44 0.00 0.00 57.07 55.57 3h79 s TYR 110 Cb -0.15 -2.76 0.09 0.00 0.35 0.00 0.00 41.96 39.48 3h79 s TYR 110 CO 0.11 -0.32 1.03 -1.13 -1.34 0.00 0.00 175.55 173.90 3h79 n SER 111 N 5.59 2.02 -2.98 4.32 3.41 -1.26 -4.48 113.62 120.24 3h79 n SER 111 Ca -0.04 -2.30 -0.11 0.00 -0.26 0.00 0.00 58.87 56.16 3h79 n SER 111 Cb 0.50 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.38 3h79 n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h79 n GLY 112 N -0.77 -0.08 3.77 5.00 0.00 -1.26 -5.03 105.19 106.82 3h79 n GLY 112 Ca 0.05 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 3h79 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h79 s GLN 113 N -3.83 3.27 -1.23 1.61 -0.21 -1.26 -4.89 119.66 113.12 3h79 s GLN 113 Ca 0.30 1.68 -0.06 0.00 0.02 0.00 0.00 55.36 57.30 3h79 s GLN 113 Cb -0.01 -2.00 0.19 0.00 1.00 0.00 0.00 33.01 32.19 3h79 s GLN 113 CO 0.20 -0.93 2.01 0.54 -2.12 0.00 0.00 175.29 174.99 3h79 n ARG 114 N -1.34 4.39 -4.19 2.91 1.74 -1.26 -4.65 116.66 114.26 3h79 n ARG 114 Ca 0.12 -3.81 -0.19 0.00 -0.77 0.00 0.00 57.85 53.19 3h79 n ARG 114 Cb 0.50 -2.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.14 3h79 n ARG 114 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3h79 s TYR 115 N -1.36 1.30 0.15 -1.55 4.12 -1.26 -4.99 117.35 113.76 3h79 s TYR 115 Ca 0.44 -0.45 -0.16 0.00 0.02 0.00 0.00 57.07 56.91 3h79 s TYR 115 Cb 0.14 -0.73 0.04 0.00 -1.52 0.00 0.00 41.96 39.89 3h79 s TYR 115 CO -0.04 0.08 1.76 1.25 0.02 0.00 0.00 175.55 178.63 3h79 h LEU 116 N 4.26 0.20 -1.06 -1.29 5.85 -1.93 -1.69 115.31 119.65 3h79 h LEU 116 Ca -0.42 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3h79 h LEU 116 Cb 1.19 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3h79 h LEU 116 CO 0.40 0.16 0.63 0.28 -0.34 0.00 0.00 178.44 179.57 3h79 h SER 117 N 0.32 1.02 -0.02 1.25 0.02 -1.97 0.14 113.55 114.33 3h79 h SER 117 Ca 0.15 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 3h79 h SER 117 Cb 0.09 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3h79 h SER 117 CO -0.13 0.68 -0.62 -0.07 -1.14 0.00 0.00 176.83 175.55 3h79 h LEU 118 N 1.18 0.71 -0.35 5.07 3.38 -1.71 -1.07 115.31 122.51 3h79 h LEU 118 Ca 0.40 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3h79 h LEU 118 Cb 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3h79 h LEU 118 CO -0.14 1.16 -0.56 0.58 0.09 0.00 0.00 178.44 179.58 3h79 h VAL 119 N 0.46 1.29 -0.83 1.22 2.07 -0.74 -0.98 116.25 118.74 3h79 h VAL 119 Ca -0.01 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3h79 h VAL 119 Cb 1.20 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3h79 h VAL 119 CO 0.12 0.57 0.53 0.44 0.02 0.00 0.00 177.57 179.24 3h79 h ASP 120 N 0.60 0.98 -0.67 0.57 3.32 -0.65 -0.36 116.42 120.21 3h79 h ASP 120 Ca 0.01 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3h79 h ASP 120 Cb 1.15 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3h79 h ASP 120 CO 0.12 0.73 0.09 -1.28 -1.72 0.00 0.00 179.24 177.18 3h79 h SER 121 N 1.13 1.07 -0.81 6.45 0.87 -0.95 -1.51 113.55 119.81 3h79 h SER 121 Ca 0.30 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3h79 h SER 121 Cb -0.09 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 61.55 3h79 h SER 121 CO -0.06 1.07 0.48 0.15 -0.53 0.00 0.00 176.83 177.93 3h79 h PHE 122 N 1.04 1.08 -0.22 2.24 3.57 -0.72 -0.42 116.94 123.52 3h79 h PHE 122 Ca 0.20 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3h79 h PHE 122 Cb 0.46 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3h79 h PHE 122 CO 0.03 0.74 -0.06 0.28 -2.23 0.00 0.00 178.31 177.07 3h79 h VAL 123 N 1.12 0.77 -0.51 1.41 2.07 -0.72 -1.49 116.25 118.89 3h79 h VAL 123 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 3h79 h VAL 123 Cb -0.02 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3h79 h VAL 123 CO -0.05 0.00 0.31 0.15 0.02 0.00 0.00 177.57 177.99 3h79 h PHE 124 N -0.01 0.68 -0.06 1.57 3.57 -0.80 -1.91 116.94 119.99 3h79 h PHE 124 Ca 0.11 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3h79 h PHE 124 Cb 0.17 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3h79 h PHE 124 CO -0.24 0.48 -0.26 1.96 -2.23 0.00 0.00 178.31 178.03 3h79 h GLN 125 N 0.69 0.10 -0.27 1.11 4.20 -0.82 -3.17 115.11 116.94 3h79 h GLN 125 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3h79 h GLN 125 Cb -0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3h79 h GLN 125 CO -0.03 0.36 0.00 0.09 -0.67 0.00 0.00 178.83 178.57 3h79 n ASN 126 N -4.20 3.16 -0.43 1.46 4.13 -0.59 -5.10 115.26 113.70 3h79 n ASN 126 Ca -0.02 -1.93 0.14 0.00 1.68 0.00 0.00 54.58 54.46 3h79 n ASN 126 Cb 0.33 -0.17 0.57 0.00 -1.54 0.00 0.00 39.78 38.97 3h79 n ASN 126 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95