#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 -0.01 0.00 4.27 -1.26 -3.02 117.44 117.42 2nef n TRP 57 Ca 0.00 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.41 2nef n TRP 57 Cb 0.00 -0.13 -0.14 0.00 -1.36 0.00 0.00 31.31 29.68 2nef n TRP 57 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2nef h LEU 58 N 0.00 0.27 0.00 5.67 3.38 -1.96 -3.46 115.31 119.22 2nef h LEU 58 Ca 0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2nef h LEU 58 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2nef h LEU 58 CO 0.00 1.43 0.00 -0.62 0.09 0.00 0.00 178.44 179.34 2nef n GLU 59 N -4.17 0.00 -2.33 1.13 -0.58 -1.17 -4.91 120.64 108.61 2nef n GLU 59 Ca -0.21 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.13 2nef n GLU 59 Cb 0.77 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.61 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef s ALA 60 N -3.52 3.45 -1.42 0.62 0.00 -1.26 -4.91 121.76 114.72 2nef s ALA 60 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2nef s ALA 60 Cb 0.00 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2nef s ALA 60 CO 0.00 -0.37 2.23 0.00 0.00 0.00 0.00 175.76 177.62 2nef n GLN 61 N 1.52 3.36 0.17 0.00 0.00 -1.26 -4.72 117.38 116.44 2nef n GLN 61 Ca 0.01 -2.91 0.05 0.00 0.00 0.00 0.00 57.00 54.15 2nef n GLN 61 Cb 0.44 -3.05 0.26 0.00 0.00 0.00 0.00 30.24 27.89 2nef n GLN 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2nef h GLU 62 N 5.66 0.00 -6.16 2.61 5.08 -1.91 -3.38 114.58 116.48 2nef h GLU 62 Ca 0.57 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.39 2nef h GLU 62 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2nef h GLU 62 CO 1.76 0.00 1.29 -1.21 -1.00 0.00 0.00 179.01 179.85 2nef s GLU 63 N -3.25 3.03 -0.84 2.33 2.02 -1.26 -4.90 118.70 115.82 2nef s GLU 63 Ca -0.01 0.98 -0.25 0.00 0.02 0.00 0.00 54.97 55.71 2nef s GLU 63 Cb 0.03 -4.27 -0.02 0.00 0.10 0.00 0.00 34.13 29.97 2nef s GLU 63 CO 0.09 -2.24 1.79 -2.00 0.02 0.00 0.00 175.26 172.92 2nef s GLU 64 N 6.23 2.80 0.00 1.61 2.12 -1.26 -4.09 118.70 126.10 2nef s GLU 64 Ca 0.72 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.83 2nef s GLU 64 Cb -0.17 -4.89 0.00 0.00 0.26 0.00 0.00 34.13 29.34 2nef s GLU 64 CO 0.27 -2.93 0.00 -1.91 -0.54 0.00 0.00 175.26 170.15 2nef n GLU 65 N 8.98 0.00 -1.49 4.30 2.13 -1.26 -4.96 120.64 128.35 2nef n GLU 65 Ca 0.31 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.74 2nef n GLU 65 Cb 0.49 -0.03 -0.02 0.00 0.27 0.00 0.00 31.44 32.14 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2nef n VAL 66 N -0.88 4.55 -0.20 6.31 0.31 -1.26 -4.72 118.33 122.44 2nef n VAL 66 Ca 0.00 -3.02 -0.04 0.00 -0.01 0.00 0.00 64.34 61.27 2nef n VAL 66 Cb 0.00 -2.48 0.02 0.00 -0.91 0.00 0.00 33.84 30.47 2nef n VAL 66 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2nef h GLY 67 N 6.69 0.03 -4.23 2.92 0.00 -1.93 -3.43 103.07 103.12 2nef h GLY 67 Ca 0.83 0.37 -0.09 0.00 0.00 0.00 0.00 47.33 48.44 2nef h GLY 67 CO 1.71 -0.22 -0.07 -0.11 0.00 0.00 0.00 176.54 177.85 2nef s PHE 68 N -6.06 -0.38 -0.97 5.60 -0.71 -1.26 -5.08 117.98 109.11 2nef s PHE 68 Ca -0.14 0.61 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 2nef s PHE 68 Cb 0.17 0.24 -0.22 0.00 -1.21 0.00 0.00 43.02 42.00 2nef s PHE 68 CO 0.70 -0.50 2.62 -2.30 -1.34 0.00 0.00 175.22 174.40 2nef n PRO 69 N 1.04 0.00 -2.08 1.99 -0.02 -1.26 -4.88 135.00 129.79 2nef n PRO 69 Ca -0.20 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.97 2nef n PRO 69 Cb 0.57 -1.45 -0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2nef n PRO 69 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nef s VAL 70 N 8.51 4.68 -0.03 -1.45 1.01 -1.26 -5.02 120.40 126.84 2nef s VAL 70 Ca 1.32 0.91 -0.26 0.00 0.00 0.00 0.00 61.98 63.96 2nef s VAL 70 Cb -1.22 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.30 2nef s VAL 70 CO 0.48 -1.00 0.81 0.42 0.00 0.00 0.00 175.10 175.81 2nef s THR 71 N -2.99 4.94 -0.78 3.92 -4.23 -1.26 -4.99 115.64 110.26 2nef s THR 71 Ca 0.55 1.69 -0.26 0.00 -1.18 0.00 0.00 61.69 62.49 2nef s THR 71 Cb -0.11 -4.15 0.02 0.00 1.34 0.00 0.00 72.50 69.61 2nef s THR 71 CO 0.47 0.23 1.41 -2.16 -0.54 0.00 0.00 174.62 174.04 2nef s PRO 72 N 0.77 3.16 -0.38 3.99 0.04 -1.26 -4.94 135.00 136.38 2nef s PRO 72 Ca 0.43 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.20 2nef s PRO 72 Cb -0.19 -4.45 0.12 0.00 0.04 0.00 0.00 34.50 30.02 2nef s PRO 72 CO 0.22 -2.28 0.17 -0.65 0.04 0.00 0.00 177.00 174.50 2nef s GLN 73 N 5.83 1.12 0.08 4.56 -0.21 -1.26 -4.97 119.66 124.81 2nef s GLN 73 Ca 0.43 -1.67 0.03 0.00 0.02 0.00 0.00 55.36 54.16 2nef s GLN 73 Cb -0.07 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 2nef s GLN 73 CO 0.11 -1.07 -0.09 0.14 -2.12 0.00 0.00 175.29 172.25 2nef s VAL 74 N 0.85 0.81 -0.00 1.09 -7.23 -1.26 -5.10 120.40 109.55 2nef s VAL 74 Ca 0.14 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2nef s VAL 74 Cb -0.21 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.46 2nef s VAL 74 CO -0.10 -0.53 2.01 -2.16 -0.31 0.00 0.00 175.10 174.02 2nef s PRO 75 N -2.53 3.97 -0.59 4.82 0.04 -1.26 -4.85 135.00 134.60 2nef s PRO 75 Ca 0.02 2.52 -0.26 0.00 0.04 0.00 0.00 61.00 63.32 2nef s PRO 75 Cb -0.04 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 2nef s PRO 75 CO -0.00 -1.15 2.29 -0.51 0.04 0.00 0.00 177.00 177.67 2nef s LEU 76 N 5.10 3.27 0.38 -3.56 1.43 -1.26 -4.88 118.68 119.16 2nef s LEU 76 Ca 0.91 0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.53 2nef s LEU 76 Cb -0.41 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 43.21 2nef s LEU 76 CO 0.41 -3.00 0.78 -0.13 0.23 0.00 0.00 176.35 174.63 2nef s ARG 77 N 8.13 3.90 -0.01 1.70 0.52 -1.26 -5.03 118.95 126.91 2nef s ARG 77 Ca 0.90 0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 56.42 2nef s ARG 77 Cb -0.15 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 2nef s ARG 77 CO 0.20 0.03 1.22 -1.25 0.02 0.00 0.00 175.30 175.52 2nef s PRO 78 N -3.47 4.37 -0.18 3.54 0.04 -1.26 -4.68 135.00 133.36 2nef s PRO 78 Ca 0.53 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2nef s PRO 78 Cb -0.10 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 2nef s PRO 78 CO 0.25 -0.40 1.93 1.41 0.04 0.00 0.00 177.00 180.23 2nef s MET 79 N 1.84 3.57 0.16 4.56 1.75 -1.26 -4.96 119.30 124.96 2nef s MET 79 Ca 0.58 1.97 -0.16 0.00 -1.25 0.00 0.00 55.69 56.82 2nef s MET 79 Cb -0.27 -4.20 -0.07 0.00 2.84 0.00 0.00 34.83 33.12 2nef s MET 79 CO 0.25 -1.58 0.59 0.95 -0.65 0.00 0.00 175.02 174.58 2nef s THR 80 N 6.36 4.78 0.27 10.11 -4.23 -1.26 -4.90 115.64 126.77 2nef s THR 80 Ca 0.86 0.96 0.01 0.00 -1.18 0.00 0.00 61.69 62.34 2nef s THR 80 Cb -0.31 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.01 2nef s THR 80 CO 0.34 0.26 1.77 0.22 -0.54 0.00 0.00 174.62 176.68 2nef h TYR 81 N 3.62 0.85 0.00 3.99 3.20 -1.93 2.57 116.97 129.28 2nef h TYR 81 Ca -0.49 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 2nef h TYR 81 Cb 1.19 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2nef h TYR 81 CO 0.65 0.20 -0.11 -0.22 -1.64 0.00 0.00 178.16 177.05 2nef h LYS 82 N 0.67 0.00 -0.60 1.82 3.64 -1.92 -1.58 116.57 118.59 2nef h LYS 82 Ca 0.49 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 2nef h LYS 82 Cb 0.71 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2nef h LYS 82 CO -0.37 0.11 0.25 0.00 -2.27 0.00 0.00 179.45 177.17 2nef h ALA 83 N 1.89 1.31 0.06 5.00 0.00 0.41 -0.41 119.26 127.52 2nef h ALA 83 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nef h ALA 83 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2nef h ALA 83 CO 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 2nef h ALA 84 N 1.41 -0.08 -0.31 0.00 0.00 -0.75 0.71 119.26 120.25 2nef h ALA 84 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2nef h ALA 84 Cb 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2nef h ALA 84 CO -0.02 -0.43 0.11 0.28 0.00 0.00 0.00 179.25 179.19 2nef h VAL 85 N -0.29 1.19 -0.29 0.00 2.07 -1.43 0.76 116.25 118.26 2nef h VAL 85 Ca -0.01 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2nef h VAL 85 Cb 0.26 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2nef h VAL 85 CO 0.01 0.20 0.15 0.44 0.02 0.00 0.00 177.57 178.40 2nef h ASP 86 N 0.35 0.24 -0.43 0.57 3.32 -1.04 -1.65 116.42 117.78 2nef h ASP 86 Ca 0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2nef h ASP 86 Cb 0.21 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2nef h ASP 86 CO -0.01 0.18 0.13 0.25 -1.72 0.00 0.00 179.24 178.08 2nef h LEU 87 N 0.32 0.63 -0.29 1.55 5.85 -0.56 0.21 115.31 123.02 2nef h LEU 87 Ca 0.12 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2nef h LEU 87 Cb 0.02 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 2nef h LEU 87 CO -0.07 0.67 -0.25 0.77 -0.34 0.00 0.00 178.44 179.22 2nef h SER 88 N 0.56 -0.82 0.26 1.25 4.64 0.11 0.17 113.55 119.73 2nef h SER 88 Ca 0.14 0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2nef h SER 88 Cb 0.27 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2nef h SER 88 CO -0.00 -0.28 -0.45 0.45 -0.87 0.00 0.00 176.83 175.68 2nef h HIS 89 N -0.23 0.28 0.12 4.77 3.86 -1.18 -2.50 115.15 120.26 2nef h HIS 89 Ca 0.15 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2nef h HIS 89 Cb 0.47 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2nef h HIS 89 CO -0.43 0.65 -0.09 0.35 0.86 0.00 0.00 177.93 179.26 2nef h PHE 90 N 0.19 -0.24 0.00 2.45 3.04 0.66 -1.26 116.94 121.78 2nef h PHE 90 Ca 0.01 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2nef h PHE 90 Cb 0.87 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.47 2nef h PHE 90 CO 0.02 -0.15 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.01 2nef h LEU 91 N -0.22 0.00 -2.19 0.59 3.38 -0.94 -0.81 115.31 115.12 2nef h LEU 91 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2nef h LEU 91 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2nef h LEU 91 CO -0.01 0.08 -0.06 0.50 0.09 0.00 0.00 178.44 179.03 2nef h LYS 92 N 0.00 0.00 -0.18 1.13 1.63 -0.77 -1.49 116.57 116.89 2nef h LYS 92 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2nef h LYS 92 Cb 0.16 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2nef h LYS 92 CO 0.01 0.06 -0.17 0.93 -3.45 0.00 0.00 179.45 176.83 2nef h GLU 93 N 0.00 0.43 0.00 1.90 5.08 -0.91 -2.92 114.58 118.16 2nef h GLU 93 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2nef h GLU 93 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2nef h GLU 93 CO 0.01 0.79 0.00 0.87 -1.00 0.00 0.00 179.01 179.68 2nef h LYS 94 N 0.09 0.00 0.00 2.33 1.57 -1.49 -3.49 116.57 115.58 2nef h LYS 94 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2nef h LYS 94 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2nef h LYS 94 CO 0.04 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 2nef n GLY 95 N 0.69 0.94 4.02 3.86 0.00 -0.62 -4.41 105.19 109.67 2nef n GLY 95 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 0.00 1.82 0.06 -0.02 0.00 -1.26 -4.68 105.19 101.11 2nef n GLY 96 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 0.00 0.00 -9.13 0.99 5.85 -1.88 -3.40 115.31 107.74 2nef h LEU 97 Ca 0.00 -0.14 -0.69 0.00 0.84 0.00 0.00 57.88 57.88 2nef h LEU 97 Cb 0.00 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.11 2nef h LEU 97 CO 0.00 0.73 -0.09 1.21 -0.34 0.00 0.00 178.44 179.95 2nef n GLU 98 N -4.67 0.43 -0.73 1.25 2.13 -1.26 0.55 120.64 118.34 2nef n GLU 98 Ca -0.06 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2nef n GLU 98 Cb 0.20 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.81 0.18 3.63 8.31 0.00 0.49 -4.86 105.19 114.77 2nef n GLY 99 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 3.90 -0.31 0.99 2.96 0.19 -4.65 118.68 121.76 2nef s LEU 100 Ca 0.00 1.13 -0.27 0.00 -0.22 0.00 0.00 54.13 54.77 2nef s LEU 100 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -1.00 2.25 -0.63 -1.32 0.00 0.00 176.35 175.64 2nef s ILE 101 N 4.08 3.04 -0.25 6.68 -1.09 -1.26 -2.66 121.20 129.73 2nef s ILE 101 Ca 0.52 0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.69 2nef s ILE 101 Cb -0.15 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2nef s ILE 101 CO 0.20 -0.04 1.91 -2.28 -1.23 0.00 0.00 174.94 173.50 2nef s HIS 102 N 9.38 1.63 0.00 3.97 5.65 1.21 -4.85 115.29 132.28 2nef s HIS 102 Ca 0.98 0.51 0.00 0.00 0.25 0.00 0.00 55.06 56.80 2nef s HIS 102 Cb -0.28 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.07 2nef s HIS 102 CO 0.32 -3.47 0.06 0.45 -0.65 0.00 0.00 174.74 171.45 2nef n SER 103 N 10.21 0.00 -1.45 9.88 2.88 -1.26 -3.47 113.62 130.41 2nef n SER 103 Ca 0.24 0.06 -0.03 0.00 -1.33 0.00 0.00 58.87 57.81 2nef n SER 103 Cb 0.46 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.93 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nef n GLN 104 N -0.17 0.39 0.00 -1.46 10.64 -1.26 -4.88 117.38 120.64 2nef n GLN 104 Ca 0.00 -0.70 0.00 0.00 -1.83 0.00 0.00 57.00 54.47 2nef n GLN 104 Cb 0.00 0.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.78 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2nef n ARG 105 N -0.44 0.00 0.07 2.61 0.63 -1.26 -4.93 116.66 113.34 2nef n ARG 105 Ca -0.15 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 56.96 2nef n ARG 105 Cb 0.63 0.00 0.70 0.00 0.45 0.00 0.00 32.46 34.24 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2nef h ARG 106 N 0.00 0.00 -0.80 -0.14 9.65 -1.95 0.11 114.38 121.25 2nef h ARG 106 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2nef h ARG 106 Cb 0.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 2nef h ARG 106 CO 0.00 0.00 0.41 0.37 2.80 0.00 0.00 179.97 183.55 2nef h GLN 107 N 0.00 1.13 -0.79 0.20 4.15 -1.99 -1.72 115.11 116.10 2nef h GLN 107 Ca 0.19 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.53 2nef h GLN 107 Cb 0.79 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.22 2nef h GLN 107 CO -0.00 0.86 0.52 -0.44 -1.93 0.00 0.00 178.83 177.83 2nef h ASP 108 N 1.12 0.73 0.72 -0.69 3.32 -1.17 0.87 116.42 121.32 2nef h ASP 108 Ca 0.28 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 2nef h ASP 108 Cb 0.08 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2nef h ASP 108 CO -0.04 0.46 -0.39 0.40 -1.72 0.00 0.00 179.24 177.95 2nef h ILE 109 N 0.82 0.98 0.14 0.35 2.04 -1.27 -2.26 117.51 118.30 2nef h ILE 109 Ca 0.35 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2nef h ILE 109 Cb 0.29 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2nef h ILE 109 CO -0.12 0.38 -0.07 0.25 0.00 0.00 0.00 178.15 178.59 2nef h LEU 110 N 0.00 -0.16 -0.93 1.44 5.85 -0.38 -2.68 115.31 118.44 2nef h LEU 110 Ca -0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2nef h LEU 110 Cb 0.85 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 2nef h LEU 110 CO 0.05 0.10 0.55 0.44 -0.34 0.00 0.00 178.44 179.25 2nef h ASP 111 N -0.63 0.77 0.35 1.25 5.19 -1.39 -2.53 116.42 119.43 2nef h ASP 111 Ca -0.02 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2nef h ASP 111 Cb 0.15 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2nef h ASP 111 CO 0.03 0.38 -0.17 0.25 -3.12 0.00 0.00 179.24 176.61 2nef h LEU 112 N 0.84 -0.40 -0.80 1.55 5.85 -1.52 -2.67 115.31 118.15 2nef h LEU 112 Ca 0.48 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 59.27 2nef h LEU 112 Cb 0.56 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2nef h LEU 112 CO -0.30 -0.11 0.26 -0.25 -0.34 0.00 0.00 178.44 177.70 2nef h TRP 113 N -0.70 0.43 -0.17 1.25 7.01 -1.15 0.86 115.95 123.48 2nef h TRP 113 Ca -0.05 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2nef h TRP 113 Cb 0.49 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2nef h TRP 113 CO 0.00 -0.06 0.12 0.82 -2.79 0.00 0.00 178.44 176.53 2nef h ILE 114 N 0.33 0.97 0.65 2.65 2.04 -1.31 -2.52 117.51 120.32 2nef h ILE 114 Ca 0.47 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.26 2nef h ILE 114 Cb 0.83 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2nef h ILE 114 CO -0.51 0.02 -0.31 0.22 0.00 0.00 0.00 178.15 177.57 2nef h TYR 115 N 0.10 -0.81 0.00 1.37 3.20 0.11 0.21 116.97 121.16 2nef h TYR 115 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2nef h TYR 115 Cb 0.17 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2nef h TYR 115 CO -0.00 -0.50 0.00 1.12 -1.64 0.00 0.00 178.16 177.14 2nef h HIS 116 N -1.05 0.00 0.00 -3.82 2.07 -1.40 -2.37 115.15 108.58 2nef h HIS 116 Ca -0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 2nef h HIS 116 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 2nef h HIS 116 CO 0.03 0.00 -0.02 0.25 -3.07 0.00 0.00 177.93 175.12 2nef n THR 117 N -3.08 0.05 -0.01 6.12 -2.24 -0.96 -4.83 114.28 109.33 2nef n THR 117 Ca -0.03 0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 62.24 2nef n THR 117 Cb 0.10 -1.53 -0.00 0.00 -2.10 0.00 0.00 70.33 66.80 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N -0.03 -0.04 0.00 -0.78 4.20 -0.70 -3.49 115.11 114.27 2nef h GLN 118 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nef h GLN 118 Cb 0.02 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2nef h GLN 118 CO 0.00 -0.03 0.00 0.41 -0.67 0.00 0.00 178.83 178.54 2nef n GLY 119 N 1.68 1.50 3.73 3.46 0.00 -0.74 -4.80 105.19 110.02 2nef n GLY 119 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -2.00 3.57 0.27 1.61 2.02 -1.26 -4.37 117.35 117.19 2nef s TYR 120 Ca 0.00 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.96 2nef s TYR 120 Cb 0.00 -3.29 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 2nef s TYR 120 CO 0.00 -0.68 1.08 0.12 -1.57 0.00 0.00 175.55 174.50 2nef s PHE 121 N 0.08 3.62 -0.74 2.71 5.36 -1.26 -4.68 117.98 123.07 2nef s PHE 121 Ca 0.51 1.72 -0.26 0.00 -0.96 0.00 0.00 56.93 57.94 2nef s PHE 121 Cb -0.29 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.13 2nef s PHE 121 CO 0.33 -0.45 1.74 -1.25 -1.46 0.00 0.00 175.22 174.14 2nef s PRO 122 N -1.38 2.80 0.00 10.12 0.04 -1.26 -4.52 135.00 140.80 2nef s PRO 122 Ca 0.44 0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.58 2nef s PRO 122 Cb -0.31 -4.61 0.04 0.00 0.04 0.00 0.00 34.50 29.66 2nef s PRO 122 CO 0.40 -2.74 0.79 -0.40 0.04 0.00 0.00 177.00 175.09 2nef n ASP 123 N 12.09 -0.17 0.00 6.66 5.68 -1.26 -4.88 116.55 134.68 2nef n ASP 123 Ca 0.23 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 2nef n ASP 123 Cb 0.50 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N 0.05 0.00 -2.42 2.11 4.27 -1.26 -4.99 117.44 115.20 2nef n TRP 124 Ca -0.07 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.11 2nef n TRP 124 Cb 0.65 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.58 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -1.64 3.66 0.32 -2.67 0.74 -1.26 -4.52 119.66 114.29 2nef s GLN 125 Ca 0.00 0.90 -0.11 0.00 0.05 0.00 0.00 55.36 56.20 2nef s GLN 125 Cb 0.00 -3.97 0.02 0.00 1.10 0.00 0.00 33.01 30.15 2nef s GLN 125 CO 0.00 -1.45 0.58 -0.80 -0.55 0.00 0.00 175.29 173.07 2nef s ASN 126 N 3.40 0.28 0.32 6.67 0.01 -1.26 -5.09 114.94 119.27 2nef s ASN 126 Ca 0.57 -1.16 -0.18 0.00 -0.71 0.00 0.00 52.86 51.38 2nef s ASN 126 Cb -0.13 0.69 0.06 0.00 0.41 0.00 0.00 41.25 42.29 2nef s ASN 126 CO 0.31 -1.36 0.84 -0.31 -1.51 0.00 0.00 177.10 175.07 2nef s TYR 127 N -3.22 0.07 1.33 2.20 1.51 -1.26 -3.03 117.35 114.94 2nef s TYR 127 Ca 0.23 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.44 2nef s TYR 127 Cb -0.02 0.79 0.33 0.00 -0.11 0.00 0.00 41.96 42.95 2nef s TYR 127 CO 0.13 -1.37 0.98 0.95 -1.11 0.00 0.00 175.55 175.13 2nef s THR 128 N -2.49 1.48 0.58 -0.71 -4.23 -1.10 -4.79 115.64 104.38 2nef s THR 128 Ca 0.16 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2nef s THR 128 Cb -0.05 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2nef s THR 128 CO 0.09 0.00 0.83 -2.16 -0.54 0.00 0.00 174.62 172.84 2nef s PRO 129 N -4.94 2.50 0.07 3.99 0.04 -1.26 -4.92 135.00 130.48 2nef s PRO 129 Ca 0.69 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2nef s PRO 129 Cb -0.16 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2nef s PRO 129 CO 0.60 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2nef n GLY 130 N -2.47 -2.69 0.00 0.56 0.00 -1.26 -5.00 105.19 94.33 2nef n GLY 130 Ca 0.08 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -2.27 0.51 0.00 1.61 -0.04 -1.26 -4.93 135.00 128.62 2nef n PRO 131 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2nef n PRO 131 Cb 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 4.70 -0.29 3.16 0.55 0.00 -1.26 -4.84 105.19 107.21 2nef n GLY 132 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N 0.00 0.00 -3.15 -0.61 5.41 -1.26 -4.88 119.36 114.86 2nef n ILE 133 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.62 2nef n ILE 133 Cb 0.00 -0.43 -0.01 0.00 -0.71 0.00 0.00 39.64 38.49 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -3.08 0.30 0.38 0.38 0.52 -1.13 -4.96 118.95 111.36 2nef s ARG 134 Ca 0.47 0.44 -0.16 0.00 -0.52 0.00 0.00 55.73 55.95 2nef s ARG 134 Cb -0.05 0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.56 2nef s ARG 134 CO 0.59 -0.42 0.82 0.71 0.02 0.00 0.00 175.30 177.03 2nef s TYR 135 N 2.92 3.37 -0.19 -0.53 1.51 -1.26 -2.12 117.35 121.06 2nef s TYR 135 Ca 0.12 1.33 -0.29 0.00 -1.01 0.00 0.00 57.07 57.21 2nef s TYR 135 Cb -0.09 -2.63 -0.01 0.00 -0.11 0.00 0.00 41.96 39.12 2nef s TYR 135 CO -0.18 -0.03 1.26 -1.25 -1.11 0.00 0.00 175.55 174.24 2nef s PRO 136 N -3.25 4.19 0.04 -1.71 0.04 -1.26 -2.71 135.00 130.34 2nef s PRO 136 Ca 0.56 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 2nef s PRO 136 Cb -0.10 -3.77 -0.16 0.00 0.04 0.00 0.00 34.50 30.51 2nef s PRO 136 CO 0.19 -0.76 1.50 -0.07 0.04 0.00 0.00 177.00 177.90 2nef h LEU 137 N 9.87 0.08-10.17 -3.56 3.38 -1.84 -3.44 115.31 109.62 2nef h LEU 137 Ca -0.26 -0.27 -0.53 0.00 0.09 0.00 0.00 57.88 56.91 2nef h LEU 137 Cb 1.10 -0.02 0.15 0.00 0.09 0.00 0.00 40.66 41.98 2nef h LEU 137 CO 0.98 0.32 0.40 0.42 0.09 0.00 0.00 178.44 180.66 2nef s THR 138 N -5.14 2.38 0.24 0.22 -4.23 -1.26 -4.95 115.64 102.90 2nef s THR 138 Ca -0.14 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2nef s THR 138 Cb 0.04 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 2nef s THR 138 CO 0.68 -0.10 0.46 0.12 -0.54 0.00 0.00 174.62 175.24 2nef s PHE 139 N -1.96 3.48 0.00 3.99 5.36 -1.26 -4.29 117.98 123.30 2nef s PHE 139 Ca 0.74 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 2nef s PHE 139 Cb -0.29 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 2nef s PHE 139 CO 0.44 0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.90 2nef n GLY 140 N -0.78 2.72 3.55 13.12 0.00 -1.26 -4.90 105.19 117.63 2nef n GLY 140 Ca -0.04 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -1.21 1.95 -0.15 1.61 -0.00 -1.26 -3.75 118.94 116.12 2nef s TRP 141 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 56.10 56.49 2nef s TRP 141 Cb 0.00 -4.33 0.16 0.00 -0.00 0.00 0.00 33.47 29.30 2nef s TRP 141 CO 0.00 -2.18 1.63 0.00 -0.00 0.00 0.00 176.95 176.40 2nef s TYR 143 N -0.99 1.92 -0.03 0.00 5.04 -1.26 -1.09 117.35 120.94 2nef s TYR 143 Ca 0.17 -0.48 0.04 0.00 -2.44 0.00 0.00 57.07 54.36 2nef s TYR 143 Cb 0.14 -1.26 -0.00 0.00 0.35 0.00 0.00 41.96 41.18 2nef s TYR 143 CO 0.01 -0.12 -0.14 0.15 -1.34 0.00 0.00 175.55 174.12 2nef s LYS 144 N -0.23 1.31 0.25 4.97 3.01 -1.14 -4.33 119.74 123.58 2nef s LYS 144 Ca 0.01 -0.48 -0.30 0.00 -1.01 0.00 0.00 55.97 54.20 2nef s LYS 144 Cb -0.10 -1.20 -0.09 0.00 -1.01 0.00 0.00 37.83 35.43 2nef s LYS 144 CO 0.01 0.23 1.13 -0.51 0.51 0.00 0.00 175.35 176.72 2nef s LEU 145 N -0.04 4.51 -0.28 3.17 1.43 -0.90 -2.75 118.68 123.81 2nef s LEU 145 Ca -0.00 2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 55.21 2nef s LEU 145 Cb -0.09 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.61 2nef s LEU 145 CO 0.01 -0.23 0.70 -0.69 0.23 0.00 0.00 176.35 176.37 2nef s VAL 146 N -0.78 -0.21 0.33 -1.59 1.01 -1.17 -2.83 120.40 115.16 2nef s VAL 146 Ca 0.47 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 2nef s VAL 146 Cb -0.32 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.96 2nef s VAL 146 CO 0.40 0.00 0.94 -2.16 0.00 0.00 0.00 175.10 174.28 2nef s PRO 147 N 1.89 4.57 -0.22 2.72 0.04 -1.26 -3.13 135.00 139.61 2nef s PRO 147 Ca -0.09 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.03 2nef s PRO 147 Cb -0.06 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 2nef s PRO 147 CO -0.20 0.27 0.78 0.08 0.04 0.00 0.00 177.00 177.97 2nef s VAL 148 N -1.64 4.89 0.61 -0.36 1.01 -1.26 -5.01 120.40 118.65 2nef s VAL 148 Ca 0.51 1.48 -0.16 0.00 0.00 0.00 0.00 61.98 63.80 2nef s VAL 148 Cb -0.18 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2nef s VAL 148 CO 0.23 -0.01 1.10 -1.61 0.00 0.00 0.00 175.10 174.81 2nef s GLU 149 N 2.48 3.08 -1.06 2.72 2.02 -1.26 -4.91 118.70 121.76 2nef s GLU 149 Ca 0.34 1.39 -0.23 0.00 0.02 0.00 0.00 54.97 56.49 2nef s GLU 149 Cb -0.16 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 2nef s GLU 149 CO 0.09 -1.03 1.77 -1.25 0.02 0.00 0.00 175.26 174.87 2nef s PRO 150 N -3.88 3.07 0.00 0.39 0.04 -1.26 -4.97 135.00 128.39 2nef s PRO 150 Ca 0.67 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2nef s PRO 150 Cb -0.20 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.08 2nef s PRO 150 CO 0.36 -3.00 0.00 0.39 0.04 0.00 0.00 177.00 174.80 2nef n GLU 151 N 8.66 1.47 -1.92 4.56 -0.58 -1.26 -4.70 120.64 126.87 2nef n GLU 151 Ca 0.41 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.73 2nef n GLU 151 Cb 0.48 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.35 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nef n LYS 152 N 0.00 3.27 -1.96 3.49 4.01 -1.26 -4.95 118.16 120.76 2nef n LYS 152 Ca 0.00 -2.93 -0.30 0.00 -0.51 0.00 0.00 58.31 54.57 2nef n LYS 152 Cb 0.00 -3.09 0.20 0.00 -0.51 0.00 0.00 35.03 31.63 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2nef s LEU 153 N 1.01 2.77 -0.23 -0.35 2.01 -1.26 -4.96 118.68 117.66 2nef s LEU 153 Ca 0.46 0.14 -0.29 0.00 0.01 0.00 0.00 54.13 54.45 2nef s LEU 153 Cb 0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 46.19 44.22 2nef s LEU 153 CO -0.05 -2.87 1.33 -0.70 1.01 0.00 0.00 176.35 175.06 2nef s GLU 154 N -5.93 4.03 -1.03 1.70 2.56 -1.26 -4.92 118.70 113.85 2nef s GLU 154 Ca 0.76 1.48 -0.23 0.00 0.00 0.00 0.00 54.97 56.98 2nef s GLU 154 Cb -0.02 -3.85 -0.02 0.00 2.00 0.00 0.00 34.13 32.23 2nef s GLU 154 CO 0.54 -0.97 1.80 -2.00 -0.56 0.00 0.00 175.26 174.07 2nef s GLU 155 N 3.96 2.94 0.00 4.30 2.12 -1.26 -4.82 118.70 125.94 2nef s GLU 155 Ca 0.58 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2nef s GLU 155 Cb -0.20 -5.22 0.00 0.00 0.26 0.00 0.00 34.13 28.97 2nef s GLU 155 CO 0.21 -3.11 0.04 0.00 -0.54 0.00 0.00 175.26 171.85 2nef n ALA 156 N 12.27 0.00 -3.00 6.30 0.00 -1.26 -5.09 120.51 129.73 2nef n ALA 156 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2nef n ALA 156 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2nef n ALA 156 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2nef n ASN 157 N -0.27 0.00 -1.21 0.00 2.85 -1.26 -4.98 115.26 110.39 2nef n ASN 157 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2nef n ASN 157 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2nef n ASN 157 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2nef n LYS 158 N 0.00 1.06 -0.34 1.20 4.76 -1.26 -3.84 118.16 119.74 2nef n LYS 158 Ca 0.00 -0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.42 2nef n LYS 158 Cb 0.00 -1.05 0.30 0.00 -1.84 0.00 0.00 35.03 32.44 2nef n LYS 158 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2nef n ASP 174 N 0.75 3.63 -3.24 4.39 5.75 -1.26 -4.76 116.55 121.82 2nef n ASP 174 Ca 0.03 -2.00 -0.03 0.00 -0.01 0.00 0.00 54.79 52.78 2nef n ASP 174 Cb 0.54 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 2nef n ASP 174 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2nef s ASP 175 N -1.03 -0.60 0.43 -1.12 -4.77 -1.25 -5.15 116.67 103.18 2nef s ASP 175 Ca 0.45 -0.31 -0.16 0.00 -3.30 0.00 0.00 52.55 49.23 2nef s ASP 175 Cb 0.24 1.54 -0.09 0.00 -1.09 0.00 0.00 42.92 43.52 2nef s ASP 175 CO 0.31 -0.30 0.89 -2.16 0.70 0.00 0.00 175.17 174.61 2nef s PRO 176 N 2.48 4.00 0.00 2.11 0.04 -1.26 -4.93 135.00 137.44 2nef s PRO 176 Ca 0.11 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2nef s PRO 176 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2nef s PRO 176 CO -0.24 -0.08 1.80 0.39 0.04 0.00 0.00 177.00 178.92 2nef n GLU 177 N -1.05 0.94 -0.43 4.56 4.71 -1.26 -4.48 120.64 123.63 2nef n GLU 177 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2nef n GLU 177 Cb 0.54 -1.03 0.00 0.00 -1.01 0.00 0.00 31.44 29.94 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2nef n ARG 178 N 1.45 0.95 -2.50 3.49 0.63 -1.26 -4.87 116.66 114.55 2nef n ARG 178 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2nef n ARG 178 Cb 0.47 -1.02 -0.04 0.00 0.45 0.00 0.00 32.46 32.32 2nef n ARG 178 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2nef s GLU 179 N 0.09 4.57 0.00 -0.14 8.01 -1.26 -5.03 118.70 124.93 2nef s GLU 179 Ca 0.00 1.73 0.00 0.00 0.01 0.00 0.00 54.97 56.71 2nef s GLU 179 Cb 0.00 -3.28 0.00 0.00 -4.31 0.00 0.00 34.13 26.54 2nef s GLU 179 CO 0.00 0.03 0.00 0.28 0.01 0.00 0.00 175.26 175.58 2nef n VAL 180 N 2.52 0.00 -4.73 2.63 0.31 -1.26 -4.97 118.33 112.83 2nef n VAL 180 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 2nef n VAL 180 Cb 0.46 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.27 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.72 0.18 7.52 1.43 -1.23 -4.46 118.68 124.85 2nef s LEU 181 Ca 0.00 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2nef s LEU 181 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2nef s LEU 181 CO 0.00 0.29 -0.10 -1.83 0.23 0.00 0.00 176.35 174.94 2nef s GLU 182 N -1.16 2.02 -0.51 1.70 -1.05 -1.18 0.38 118.70 118.90 2nef s GLU 182 Ca 0.14 -1.30 -0.28 0.00 -0.15 0.00 0.00 54.97 53.38 2nef s GLU 182 Cb -0.11 -2.13 -0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2nef s GLU 182 CO 0.04 0.43 1.61 -1.58 0.95 0.00 0.00 175.26 176.70 2nef s TRP 183 N -1.73 2.04 -0.90 4.83 0.51 -1.09 -3.02 118.94 119.58 2nef s TRP 183 Ca 0.25 0.60 -0.16 0.00 -2.12 0.00 0.00 56.10 54.67 2nef s TRP 183 Cb -0.09 -4.25 0.18 0.00 -0.81 0.00 0.00 33.47 28.51 2nef s TRP 183 CO 0.15 -2.27 0.97 0.50 -0.51 0.00 0.00 176.95 175.78 2nef s ARG 184 N 5.87 3.66 0.22 4.98 3.00 -1.11 0.19 118.95 135.75 2nef s ARG 184 Ca 0.63 -2.22 -0.30 0.00 -1.00 0.00 0.00 55.73 52.83 2nef s ARG 184 Cb -0.14 -4.67 -0.09 0.00 0.00 0.00 0.00 34.95 30.05 2nef s ARG 184 CO 0.26 -1.51 1.32 0.12 0.00 0.00 0.00 175.30 175.50 2nef s PHE 185 N 1.18 3.22 -0.48 5.12 2.19 -1.26 -2.89 117.98 125.06 2nef s PHE 185 Ca 0.26 1.21 0.06 0.00 0.33 0.00 0.00 56.93 58.79 2nef s PHE 185 Cb -0.08 -3.63 0.21 0.00 -1.31 0.00 0.00 43.02 38.21 2nef s PHE 185 CO -0.09 -1.97 0.70 -3.47 1.83 0.00 0.00 175.22 172.22 2nef n ASP 186 N 2.45 -2.33 0.00 6.13 2.03 -0.25 -4.98 116.55 119.60 2nef n ASP 186 Ca 0.06 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2nef n ASP 186 Cb 0.42 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 2.28 0.00 -0.24 1.67 3.41 -1.26 -1.42 113.62 118.06 2nef n SER 187 Ca 0.17 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.87 2nef n SER 187 Cb 0.57 -0.12 0.14 0.00 -0.26 0.00 0.00 64.21 64.54 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nef h ARG 188 N 0.00 1.07 0.00 4.33 2.43 -1.94 -0.19 114.38 120.08 2nef h ARG 188 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2nef h ARG 188 Cb 0.51 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2nef h ARG 188 CO 0.00 0.84 0.00 1.28 -1.51 0.00 0.00 179.97 180.58 2nef n LEU 189 N -4.31 0.00 0.00 3.80 4.77 -0.51 -2.11 117.00 118.64 2nef n LEU 189 Ca 0.07 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2nef n LEU 189 Cb 0.15 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.73 2nef n LEU 189 CO 0.39 0.00 0.70 0.00 -1.33 0.00 0.00 177.39 177.16 2nef n ALA 190 N -0.92 2.22 0.06 -1.18 0.00 -0.08 -3.87 120.51 116.74 2nef n ALA 190 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2nef n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nef n PHE 191 N -0.91 -0.98 -1.46 0.00 3.72 -0.90 -4.93 117.46 112.00 2nef n PHE 191 Ca 0.12 0.17 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 2nef n PHE 191 Cb 0.06 0.42 0.16 0.00 -0.94 0.00 0.00 39.48 39.18 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -2.00 2.17 -0.36 1.38 2.46 -1.23 -5.05 115.29 112.65 2nef s HIS 192 Ca 0.00 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.35 2nef s HIS 192 Cb 0.00 -3.44 0.15 0.00 -0.13 0.00 0.00 32.58 29.17 2nef s HIS 192 CO 0.00 -2.64 0.36 -1.58 -2.47 0.00 0.00 174.74 168.41 2nef s HIS 193 N -3.25 -0.26 0.01 3.88 2.46 -1.26 -4.70 115.29 112.17 2nef s HIS 193 Ca 0.66 -0.80 -0.20 0.00 0.47 0.00 0.00 55.06 55.19 2nef s HIS 193 Cb -0.14 -0.44 -0.21 0.00 -0.13 0.00 0.00 32.58 31.66 2nef s HIS 193 CO 0.54 -0.96 1.15 1.98 -2.47 0.00 0.00 174.74 174.99 2nef h MET 194 N 7.18 0.40 -0.70 2.88 4.05 -1.96 -3.11 114.93 123.67 2nef h MET 194 Ca 0.03 -0.37 0.20 0.00 -0.28 0.00 0.00 59.70 59.28 2nef h MET 194 Cb 1.05 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 2nef h MET 194 CO 0.22 1.02 0.50 0.00 0.23 0.00 0.00 176.91 178.88 2nef h ALA 195 N 0.39 2.60 0.03 0.39 0.00 -1.95 0.10 119.26 120.82 2nef h ALA 195 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nef h ALA 195 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nef h ALA 195 CO 0.10 -0.80 -0.02 -0.09 0.00 0.00 0.00 179.25 178.44 2nef h ARG 196 N 0.04 -0.04 0.00 0.00 2.43 -1.88 -2.86 114.38 112.06 2nef h ARG 196 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2nef h ARG 196 Cb 1.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2nef h ARG 196 CO -0.02 0.55 0.00 0.93 -1.51 0.00 0.00 179.97 179.92 2nef h GLU 197 N -0.68 0.00 0.00 0.20 5.08 -1.24 -3.18 114.58 114.76 2nef h GLU 197 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nef h GLU 197 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2nef h GLU 197 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 2nef n LEU 198 N -2.40 1.07 -3.34 1.33 4.77 0.26 -4.86 117.00 113.83 2nef n LEU 198 Ca 0.02 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 56.15 2nef n LEU 198 Cb 0.24 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2nef n LEU 198 CO 0.21 -0.30 -0.21 -1.38 -1.33 0.00 0.00 177.39 174.39 2nef s HIS 199 N -0.79 0.13 -1.56 -1.77 -3.43 -1.09 -4.99 115.29 101.79 2nef s HIS 199 Ca 0.00 -1.33 0.03 0.00 -0.80 0.00 0.00 55.06 52.96 2nef s HIS 199 Cb 0.00 -0.57 0.11 0.00 -1.43 0.00 0.00 32.58 30.68 2nef s HIS 199 CO 0.00 -0.93 0.92 -0.35 -2.00 0.00 0.00 174.74 172.38 2nef n PRO 200 N 3.77 1.38 0.25 -0.38 -0.04 -1.20 -4.17 135.00 134.60 2nef n PRO 200 Ca 0.16 -0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2nef n PRO 200 Cb 0.45 -1.30 0.68 0.00 -0.04 0.00 0.00 33.50 33.30 2nef n PRO 200 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2nef h GLU 201 N 0.61 0.00 0.02 0.54 4.81 -1.93 -0.07 114.58 118.57 2nef h GLU 201 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2nef h GLU 201 Cb 0.37 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.76 2nef h GLU 201 CO 0.03 0.00 -0.51 1.88 -0.73 0.00 0.00 179.01 179.68 2nef h TYR 202 N 0.00 0.47 -2.79 0.92 -1.99 -1.99 -3.39 116.97 108.19 2nef h TYR 202 Ca 0.00 -0.27 -0.69 0.00 2.00 0.00 0.00 58.73 59.77 2nef h TYR 202 Cb 0.41 -0.05 -0.19 0.00 2.00 0.00 0.00 36.73 38.91 2nef h TYR 202 CO 0.00 1.11 0.44 -0.06 -0.00 0.00 0.00 178.16 179.64 2nef s PHE 203 N -3.01 3.05 0.35 4.88 0.08 -0.04 -5.02 117.98 118.27 2nef s PHE 203 Ca -0.14 -1.12 -0.26 0.00 0.12 0.00 0.00 56.93 55.52 2nef s PHE 203 Cb 0.02 -4.14 -0.12 0.00 -0.57 0.00 0.00 43.02 38.21 2nef s PHE 203 CO 0.79 -1.40 1.02 0.36 -0.10 0.00 0.00 175.22 175.89 2nef n LYS 204 N 6.44 1.40 -0.08 0.44 2.85 -1.26 -4.92 118.16 123.04 2nef n LYS 204 Ca 0.05 0.50 -0.16 0.00 -1.05 0.00 0.00 58.31 57.65 2nef n LYS 204 Cb 0.46 -1.95 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 2nef n LYS 204 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2nef n ASN 205 N 0.91 1.33 0.00 -5.58 2.85 -1.26 -5.14 115.26 108.37 2nef n ASN 205 Ca 0.09 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2nef n ASN 205 Cb 0.35 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.94 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15