#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -2.00 -2.76 115.95 116.27 2nef h TRP 57 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2nef h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2nef h TRP 57 CO 0.00 0.19 -0.33 1.37 -1.28 0.00 0.00 178.44 178.39 2nef h LEU 58 N 0.00 0.00 -4.64 0.11 -0.00 -1.97 -3.36 115.31 105.45 2nef h LEU 58 Ca -0.00 -0.07 -0.33 0.00 -0.00 0.00 0.00 57.88 57.47 2nef h LEU 58 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2nef h LEU 58 CO 0.02 0.03 1.40 -0.62 -0.00 0.00 0.00 178.44 179.28 2nef n GLU 59 N -2.44 2.27 0.00 0.17 1.02 -1.04 -4.58 120.64 116.05 2nef n GLU 59 Ca 0.04 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 2nef n GLU 59 Cb 0.47 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nef n ALA 60 N 3.16 1.99 -1.00 0.62 0.00 -1.26 -4.41 120.51 119.61 2nef n ALA 60 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2nef n ALA 60 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2nef n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nef n GLN 61 N 0.41 0.00 0.00 0.00 6.02 -1.26 -4.86 117.38 117.69 2nef n GLN 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2nef n GLN 61 Cb 0.21 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.07 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2nef n GLU 62 N 0.00 2.09 -2.72 -1.09 1.02 -1.26 -4.95 120.64 113.72 2nef n GLU 62 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2nef n GLU 62 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2nef n GLU 62 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2nef s GLU 63 N 0.00 4.18 0.00 3.49 -1.05 -1.26 -5.05 118.70 119.01 2nef s GLU 63 Ca 0.00 1.25 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 2nef s GLU 63 Cb 0.00 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 2nef s GLU 63 CO 0.00 -0.08 0.00 0.39 0.95 0.00 0.00 175.26 176.52 2nef n GLU 64 N -0.47 0.63 -0.74 -4.83 -0.58 -1.26 -5.00 120.64 108.39 2nef n GLU 64 Ca 0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.78 2nef n GLU 64 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.37 2nef n GLU 64 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2nef n GLU 65 N -0.28 0.00 -1.11 3.49 0.00 -1.26 -4.97 120.64 116.51 2nef n GLU 65 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 57.16 56.48 2nef n GLU 65 Cb 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 31.44 31.50 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2nef n VAL 66 N 0.01 3.16 -2.70 3.84 0.31 -1.26 -4.67 118.33 117.02 2nef n VAL 66 Ca -0.12 -1.83 -0.41 0.00 -0.01 0.00 0.00 64.34 61.96 2nef n VAL 66 Cb 0.61 -1.98 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N 2.30 5.90 3.36 2.92 0.00 -1.26 -4.95 105.19 113.47 2nef n GLY 67 Ca 0.46 -2.58 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N -3.89 -0.42 -0.97 1.61 -0.71 -1.26 -5.08 117.98 107.26 2nef s PHE 68 Ca 0.38 0.80 -0.26 0.00 -1.04 0.00 0.00 56.93 56.80 2nef s PHE 68 Cb 0.16 0.21 -0.23 0.00 -1.21 0.00 0.00 43.02 41.95 2nef s PHE 68 CO -0.07 -0.42 2.53 -2.30 -1.34 0.00 0.00 175.22 173.62 2nef n PRO 69 N 1.57 0.00 -3.12 1.99 -0.02 -1.26 -4.89 135.00 129.27 2nef n PRO 69 Ca -0.19 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 2nef n PRO 69 Cb 0.56 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2nef n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nef s VAL 70 N 7.24 4.61 -0.44 -1.45 0.11 -1.26 -5.03 120.40 124.18 2nef s VAL 70 Ca 1.32 1.16 -0.20 0.00 -2.93 0.00 0.00 61.98 61.33 2nef s VAL 70 Cb -1.16 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 29.94 2nef s VAL 70 CO 0.49 0.10 0.61 0.42 -3.33 0.00 0.00 175.10 173.39 2nef s THR 71 N -1.65 4.87 0.00 5.04 -4.23 -1.26 -5.06 115.64 113.35 2nef s THR 71 Ca 0.46 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2nef s THR 71 Cb -0.15 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2nef s THR 71 CO 0.20 -0.59 0.00 -0.81 -0.54 0.00 0.00 174.62 172.88 2nef n PRO 72 N 6.17 1.02 -1.51 3.99 -0.04 -1.24 -2.94 135.00 140.44 2nef n PRO 72 Ca -0.03 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2nef n PRO 72 Cb 0.48 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.78 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2nef n GLN 73 N 0.00 0.18 -3.28 0.54 6.02 -1.26 -4.62 117.38 114.97 2nef n GLN 73 Ca 0.00 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.63 2nef n GLN 73 Cb 0.00 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.44 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2nef s VAL 74 N 7.24 5.00 -0.15 5.09 -7.23 -1.26 -4.96 120.40 124.13 2nef s VAL 74 Ca 1.26 0.10 -0.33 0.00 -1.81 0.00 0.00 61.98 61.20 2nef s VAL 74 Cb -0.90 -3.74 -0.16 0.00 0.56 0.00 0.00 36.38 32.15 2nef s VAL 74 CO 0.45 -0.36 0.99 -2.65 -0.31 0.00 0.00 175.10 173.22 2nef n PRO 75 N -1.02 0.00 -1.61 4.82 -0.02 -1.26 -4.64 135.00 131.26 2nef n PRO 75 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.16 2nef n PRO 75 Cb 0.54 -1.17 -0.04 0.00 -0.02 0.00 0.00 33.50 32.81 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 0.88 3.25 0.80 2.45 1.43 -1.26 -4.93 118.68 121.30 2nef s LEU 76 Ca 0.75 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.49 2nef s LEU 76 Cb -1.06 -2.52 0.14 0.00 0.03 0.00 0.00 46.19 42.78 2nef s LEU 76 CO 0.52 -3.10 1.11 -0.13 0.23 0.00 0.00 176.35 174.98 2nef s ARG 77 N 8.31 1.44 -0.15 1.70 0.52 -1.26 -5.06 118.95 124.45 2nef s ARG 77 Ca 0.93 -0.66 -0.17 0.00 -0.52 0.00 0.00 55.73 55.32 2nef s ARG 77 Cb -0.15 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2nef s ARG 77 CO 0.20 -1.74 0.42 -1.25 0.02 0.00 0.00 175.30 172.95 2nef s PRO 78 N -5.43 4.28 -0.21 3.54 0.04 -1.26 -4.80 135.00 131.15 2nef s PRO 78 Ca 0.67 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2nef s PRO 78 Cb -0.06 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2nef s PRO 78 CO 0.47 0.12 1.90 1.41 0.04 0.00 0.00 177.00 180.94 2nef s MET 79 N 0.80 3.53 0.21 4.56 1.75 -1.26 -4.95 119.30 123.94 2nef s MET 79 Ca 0.22 1.87 -0.17 0.00 -1.25 0.00 0.00 55.69 56.35 2nef s MET 79 Cb -0.14 -4.20 -0.08 0.00 2.84 0.00 0.00 34.83 33.25 2nef s MET 79 CO 0.08 -1.63 0.68 0.95 -0.65 0.00 0.00 175.02 174.44 2nef s THR 80 N 6.47 4.67 0.26 10.11 -4.23 -1.26 -4.90 115.64 126.76 2nef s THR 80 Ca 0.85 1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 62.45 2nef s THR 80 Cb -0.30 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.00 2nef s THR 80 CO 0.34 0.16 1.75 0.22 -0.54 0.00 0.00 174.62 176.56 2nef h TYR 81 N 3.29 0.73 -0.17 3.99 3.20 -2.01 2.57 116.97 128.57 2nef h TYR 81 Ca -0.48 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.44 2nef h TYR 81 Cb 1.19 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2nef h TYR 81 CO 0.64 0.15 0.11 -0.22 -1.64 0.00 0.00 178.16 177.21 2nef h LYS 82 N 0.59 0.15 -0.58 1.82 3.64 -1.99 -1.11 116.57 119.09 2nef h LYS 82 Ca 0.46 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2nef h LYS 82 Cb 0.68 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2nef h LYS 82 CO -0.38 0.10 -0.03 0.00 -2.27 0.00 0.00 179.45 176.87 2nef h ALA 83 N 1.90 0.84 0.18 5.00 0.00 0.41 -0.68 119.26 126.91 2nef h ALA 83 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2nef h ALA 83 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nef h ALA 83 CO -0.01 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.82 2nef h ALA 84 N 1.00 -0.25 -0.49 0.00 0.00 -0.19 0.25 119.26 119.59 2nef h ALA 84 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2nef h ALA 84 Cb 0.59 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2nef h ALA 84 CO 0.04 -0.53 0.21 0.28 0.00 0.00 0.00 179.25 179.25 2nef h VAL 85 N -0.47 1.20 -0.19 0.00 2.07 -1.45 0.69 116.25 118.09 2nef h VAL 85 Ca -0.03 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2nef h VAL 85 Cb 0.36 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2nef h VAL 85 CO 0.04 0.23 0.11 0.44 0.02 0.00 0.00 177.57 178.42 2nef h ASP 86 N 0.64 0.23 -0.84 0.57 5.19 -1.07 -2.06 116.42 119.09 2nef h ASP 86 Ca 0.16 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 86 Cb 0.17 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.58 2nef h ASP 86 CO -0.02 0.23 0.44 0.25 -3.12 0.00 0.00 179.24 177.03 2nef h LEU 87 N 0.22 1.07 -0.39 1.55 5.85 -0.12 0.21 115.31 123.69 2nef h LEU 87 Ca 0.07 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2nef h LEU 87 Cb 0.05 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 2nef h LEU 87 CO -0.01 0.88 -0.18 0.77 -0.34 0.00 0.00 178.44 179.56 2nef h SER 88 N 1.19 -0.62 0.43 1.25 4.64 0.11 -0.67 113.55 119.87 2nef h SER 88 Ca 0.29 0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.59 2nef h SER 88 Cb 0.06 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2nef h SER 88 CO -0.04 -0.21 -0.74 0.45 -0.87 0.00 0.00 176.83 175.42 2nef h HIS 89 N -0.11 0.35 0.36 4.77 3.86 -1.12 -2.36 115.15 120.91 2nef h HIS 89 Ca 0.19 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2nef h HIS 89 Cb 0.40 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2nef h HIS 89 CO -0.42 0.90 -0.35 0.35 0.86 0.00 0.00 177.93 179.27 2nef h PHE 90 N 0.17 -0.98 0.00 2.45 3.57 0.43 -1.30 116.94 121.29 2nef h PHE 90 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 1.30 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 40.42 2nef h PHE 90 CO 0.03 -0.47 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.53 2nef h LEU 91 N -0.71 0.00 0.62 0.59 3.38 -1.27 -1.85 115.31 116.07 2nef h LEU 91 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2nef h LEU 91 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2nef h LEU 91 CO -0.04 0.04 -0.30 0.50 0.09 0.00 0.00 178.44 178.73 2nef h LYS 92 N 0.00 -0.81 0.20 1.13 3.64 -0.69 1.12 116.57 121.16 2nef h LYS 92 Ca -0.00 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2nef h LYS 92 Cb 0.17 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2nef h LYS 92 CO 0.00 -0.54 -0.10 0.93 -2.27 0.00 0.00 179.45 177.48 2nef h GLU 93 N -0.95 -0.26 0.00 1.90 4.39 -1.36 -3.35 114.58 114.95 2nef h GLU 93 Ca -0.09 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2nef h GLU 93 Cb 0.64 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2nef h GLU 93 CO 0.14 0.12 -0.09 0.87 -1.16 0.00 0.00 179.01 178.88 2nef h LYS 94 N -0.71 0.06 -7.24 2.33 1.79 -1.45 -3.46 116.57 107.89 2nef h LYS 94 Ca -0.03 -0.07 -0.49 0.00 -2.18 0.00 0.00 60.65 57.88 2nef h LYS 94 Cb 0.49 0.02 0.06 0.00 -1.58 0.00 0.00 32.23 31.22 2nef h LYS 94 CO 0.05 0.85 0.29 0.20 -1.08 0.00 0.00 179.45 179.75 2nef s GLY 95 N -3.85 1.60 -0.38 3.86 0.00 0.39 -2.45 107.32 106.49 2nef s GLY 95 Ca -0.17 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.24 2nef s GLY 95 CO 0.71 -0.13 1.07 0.61 0.00 0.00 0.00 173.10 175.35 2nef n GLY 96 N -2.68 4.49 0.12 0.20 0.00 -1.23 -4.18 105.19 101.92 2nef n GLY 96 Ca 0.05 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.85 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 2.66 0.00 -9.69 0.99 5.85 -1.90 -3.42 115.31 109.81 2nef h LEU 97 Ca 0.16 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.31 2nef h LEU 97 Cb 1.08 0.00 0.15 0.00 0.37 0.00 0.00 40.66 42.26 2nef h LEU 97 CO 0.70 0.56 0.04 1.21 -0.34 0.00 0.00 178.44 180.61 2nef n GLU 98 N -3.18 1.01 -0.44 1.25 2.13 -1.26 -0.64 120.64 119.51 2nef n GLU 98 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2nef n GLU 98 Cb 0.77 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.46 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 1.34 0.00 3.62 8.31 0.00 0.33 -4.84 105.19 113.95 2nef n GLY 99 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 3.80 -0.07 0.99 2.96 0.19 -4.70 118.68 121.85 2nef s LEU 100 Ca 0.00 1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.72 2nef s LEU 100 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 2nef s LEU 100 CO 0.00 -1.18 1.97 -0.63 -1.32 0.00 0.00 176.35 175.19 2nef s ILE 101 N 4.67 3.13 -0.74 6.68 -1.09 -1.26 -2.53 121.20 130.07 2nef s ILE 101 Ca 0.58 0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 58.90 2nef s ILE 101 Cb -0.16 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 2nef s ILE 101 CO 0.26 -0.04 2.05 -2.28 -1.23 0.00 0.00 174.94 173.70 2nef s HIS 102 N 5.54 1.56 0.00 3.97 5.65 0.88 -4.83 115.29 128.07 2nef s HIS 102 Ca 0.89 1.01 0.00 0.00 0.25 0.00 0.00 55.06 57.20 2nef s HIS 102 Cb -0.37 -3.91 0.00 0.00 -1.18 0.00 0.00 32.58 27.12 2nef s HIS 102 CO 0.38 -2.01 0.34 0.45 -0.65 0.00 0.00 174.74 173.25 2nef n SER 103 N 14.52 0.00 0.00 9.88 2.88 -1.26 -3.33 113.62 136.31 2nef n SER 103 Ca 0.34 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2nef n SER 103 Cb 0.49 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.74 0.00 0.00 -1.46 6.02 -1.26 -4.73 117.38 114.21 2nef n GLN 104 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2nef n GLN 104 Cb 0.00 0.00 0.39 0.00 1.02 0.00 0.00 30.24 31.65 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nef n ARG 105 N 0.00 0.29 -0.35 -1.09 3.00 -1.26 -3.50 116.66 113.75 2nef n ARG 105 Ca 0.00 0.10 0.12 0.00 -0.01 0.00 0.00 57.85 58.06 2nef n ARG 105 Cb 0.00 -1.50 0.31 0.00 0.00 0.00 0.00 32.46 31.27 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nef h ARG 106 N 0.00 0.78 -0.64 5.56 2.47 -1.95 -0.35 114.38 120.24 2nef h ARG 106 Ca 0.00 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 2nef h ARG 106 Cb 0.09 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 2nef h ARG 106 CO 0.00 0.51 0.22 0.37 0.56 0.00 0.00 179.97 181.63 2nef h GLN 107 N 0.80 0.99 0.00 0.04 4.15 -1.97 -2.99 115.11 116.13 2nef h GLN 107 Ca 0.56 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.80 2nef h GLN 107 Cb 0.83 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 2nef h GLN 107 CO -0.35 0.86 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.83 2nef h ASP 108 N 0.92 -0.39 -0.53 -0.69 3.32 -1.32 -2.45 116.42 115.29 2nef h ASP 108 Ca 0.21 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.42 2nef h ASP 108 Cb 0.27 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.89 2nef h ASP 108 CO -0.01 -0.19 -0.06 0.40 -1.72 0.00 0.00 179.24 177.66 2nef h ILE 109 N -0.23 0.52 0.00 0.35 1.08 -1.38 0.12 117.51 117.97 2nef h ILE 109 Ca 0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2nef h ILE 109 Cb 0.29 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2nef h ILE 109 CO -0.13 0.01 0.00 -0.11 -0.69 0.00 0.00 178.15 177.23 2nef n LEU 110 N -5.31 0.00 -0.31 1.44 7.94 -0.94 -0.03 117.00 119.80 2nef n LEU 110 Ca 0.06 0.84 0.20 0.00 -1.11 0.00 0.00 56.01 56.00 2nef n LEU 110 Cb 0.29 -0.34 0.48 0.00 0.53 0.00 0.00 43.42 44.39 2nef n LEU 110 CO 0.12 -0.34 1.22 0.44 -1.11 0.00 0.00 177.39 177.72 2nef h ASP 111 N 0.00 0.48 0.69 1.96 5.19 -1.35 -2.18 116.42 121.22 2nef h ASP 111 Ca 0.00 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2nef h ASP 111 Cb 0.00 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.51 2nef h ASP 111 CO 0.00 0.13 -0.33 0.25 -3.12 0.00 0.00 179.24 176.17 2nef h LEU 112 N 0.45 -0.79 -0.98 1.55 6.46 -0.11 -2.27 115.31 119.63 2nef h LEU 112 Ca 0.56 0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.59 2nef h LEU 112 Cb 1.33 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 41.33 2nef h LEU 112 CO -0.28 -0.43 0.53 -0.25 -0.62 0.00 0.00 178.44 177.40 2nef h TRP 113 N -1.17 0.89 -0.77 1.25 7.01 0.15 0.89 115.95 124.20 2nef h TRP 113 Ca -0.09 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2nef h TRP 113 Cb 0.74 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.52 2nef h TRP 113 CO 0.00 -0.05 0.44 0.82 -2.79 0.00 0.00 178.44 176.87 2nef h ILE 114 N 0.45 1.22 0.75 2.65 2.04 -1.26 -2.78 117.51 120.58 2nef h ILE 114 Ca 0.65 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2nef h ILE 114 Cb 1.34 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2nef h ILE 114 CO -0.54 0.24 -0.36 0.22 0.00 0.00 0.00 178.15 177.71 2nef h TYR 115 N 1.07 -0.93 0.00 1.37 3.20 0.14 0.77 116.97 122.58 2nef h TYR 115 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2nef h TYR 115 Cb -0.01 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2nef h TYR 115 CO 0.01 -0.58 0.00 0.72 -1.64 0.00 0.00 178.16 176.67 2nef n HIS 116 N -5.26 0.00 0.00 -3.82 8.25 -0.88 -0.99 115.22 112.52 2nef n HIS 116 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2nef n HIS 116 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -0.71 0.00 0.05 1.59 -2.24 -0.94 -3.67 114.28 108.35 2nef n THR 117 Ca 0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2nef n THR 117 Cb 0.00 -0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 67.50 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 0.00 0.00 -0.13 -0.78 4.20 0.41 -3.43 115.11 115.38 2nef h GLN 118 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2nef h GLN 118 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2nef h GLN 118 CO 0.00 0.82 -0.05 0.41 -0.67 0.00 0.00 178.83 179.34 2nef n GLY 119 N 1.38 0.60 3.76 3.46 0.00 -0.16 -4.55 105.19 109.69 2nef n GLY 119 Ca -0.04 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.08 3.62 0.45 1.61 2.02 -1.26 -4.68 117.35 117.02 2nef s TYR 120 Ca 0.00 1.74 -0.21 0.00 -0.37 0.00 0.00 57.07 58.22 2nef s TYR 120 Cb 0.00 -3.20 -0.09 0.00 -0.40 0.00 0.00 41.96 38.26 2nef s TYR 120 CO 0.00 -0.36 1.00 -0.59 -1.57 0.00 0.00 175.55 174.04 2nef s PHE 121 N -1.24 3.18 -0.68 2.71 -0.12 -1.26 -4.64 117.98 115.93 2nef s PHE 121 Ca 0.46 1.61 -0.27 0.00 -0.05 0.00 0.00 56.93 58.67 2nef s PHE 121 Cb -0.29 -2.99 0.03 0.00 -0.63 0.00 0.00 43.02 39.13 2nef s PHE 121 CO 0.37 -0.49 1.31 -1.25 -0.05 0.00 0.00 175.22 175.11 2nef s PRO 122 N -3.05 3.23 0.00 1.99 0.04 -1.26 -4.60 135.00 131.35 2nef s PRO 122 Ca 0.63 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2nef s PRO 122 Cb -0.15 -4.15 0.01 0.00 0.04 0.00 0.00 34.50 30.25 2nef s PRO 122 CO 0.19 -2.07 0.64 -0.40 0.04 0.00 0.00 177.00 175.39 2nef n ASP 123 N 9.41 -0.07 0.01 6.66 5.75 -1.26 -4.94 116.55 132.11 2nef n ASP 123 Ca 0.06 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 2nef n ASP 123 Cb 0.49 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.01 -0.20 -0.96 2.11 4.27 -1.26 -4.89 117.44 116.52 2nef n TRP 124 Ca -0.02 0.03 -0.34 0.00 -3.89 0.00 0.00 57.50 53.28 2nef n TRP 124 Cb 0.56 0.44 -0.04 0.00 -1.36 0.00 0.00 31.31 30.91 2nef n TRP 124 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2nef n GLN 125 N -2.65 1.72 -3.40 -2.67 7.27 -1.26 -4.14 117.38 112.25 2nef n GLN 125 Ca 0.00 -1.66 -0.13 0.00 0.07 0.00 0.00 57.00 55.28 2nef n GLN 125 Cb 0.06 -2.71 -0.10 0.00 2.41 0.00 0.00 30.24 29.91 2nef n GLN 125 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nef s ASN 126 N 4.33 0.73 1.21 1.69 2.20 -1.26 -5.08 114.94 118.77 2nef s ASN 126 Ca 0.49 -0.04 -0.20 0.00 -0.94 0.00 0.00 52.86 52.17 2nef s ASN 126 Cb 0.12 0.83 0.29 0.00 -2.00 0.00 0.00 41.25 40.50 2nef s ASN 126 CO 0.05 -0.32 1.11 -1.22 -2.94 0.00 0.00 177.10 173.78 2nef n TYR 127 N 5.34 -3.90 -2.07 1.54 4.02 -1.26 -3.17 117.16 117.66 2nef n TYR 127 Ca -0.04 -1.00 -0.36 0.00 -0.01 0.00 0.00 57.90 56.49 2nef n TYR 127 Cb 0.50 -1.10 0.03 0.00 -0.02 0.00 0.00 39.34 38.74 2nef n TYR 127 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2nef s THR 128 N -3.09 2.75 -0.92 -0.72 -4.23 -1.02 -4.75 115.64 103.66 2nef s THR 128 Ca 0.71 0.47 -0.24 0.00 -1.18 0.00 0.00 61.69 61.45 2nef s THR 128 Cb -0.06 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.59 2nef s THR 128 CO 0.53 -0.10 1.64 -2.16 -0.54 0.00 0.00 174.62 174.00 2nef s PRO 129 N -3.30 3.11 -0.11 3.99 0.04 -1.26 -4.89 135.00 132.58 2nef s PRO 129 Ca 0.76 -0.62 -0.33 0.00 0.04 0.00 0.00 61.00 60.86 2nef s PRO 129 Cb -0.29 -5.08 0.12 0.00 0.04 0.00 0.00 34.50 29.30 2nef s PRO 129 CO 0.32 -2.67 1.12 0.20 0.04 0.00 0.00 177.00 176.02 2nef s GLY 130 N 6.20 -0.35 0.17 0.56 0.00 -1.26 -5.18 107.32 107.47 2nef s GLY 130 Ca 0.55 1.28 -0.03 0.00 0.00 0.00 0.00 44.72 46.53 2nef s GLY 130 CO -0.02 0.41 0.24 -1.55 0.00 0.00 0.00 173.10 172.18 2nef n PRO 131 N -0.19 -0.21 0.00 2.90 -0.04 -1.26 -4.91 135.00 131.28 2nef n PRO 131 Ca -0.03 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2nef n PRO 131 Cb 0.60 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 3.44 0.86 3.17 0.55 0.00 -1.26 -4.68 105.19 107.28 2nef n GLY 132 Ca 0.03 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.54 -0.61 5.41 -1.26 -4.79 119.36 114.57 2nef n ILE 133 Ca 0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 62.75 63.55 2nef n ILE 133 Cb 0.00 -0.38 -0.05 0.00 -0.71 0.00 0.00 39.64 38.50 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2nef s ARG 134 N -2.91 0.38 0.30 0.38 6.06 -1.18 -4.94 118.95 117.03 2nef s ARG 134 Ca 0.49 0.79 -0.08 0.00 -2.50 0.00 0.00 55.73 54.43 2nef s ARG 134 Cb -0.04 0.32 -0.06 0.00 0.06 0.00 0.00 34.95 35.23 2nef s ARG 134 CO 0.66 -0.10 0.62 0.71 -2.50 0.00 0.00 175.30 174.68 2nef s TYR 135 N 2.00 3.45 -0.05 5.12 1.51 -1.26 -2.79 117.35 125.33 2nef s TYR 135 Ca -0.06 0.84 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 2nef s TYR 135 Cb -0.06 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 2nef s TYR 135 CO -0.17 0.13 1.19 -1.25 -1.11 0.00 0.00 175.55 174.34 2nef s PRO 136 N -3.37 4.36 0.26 -1.71 0.04 -1.25 -2.45 135.00 130.88 2nef s PRO 136 Ca 0.47 1.66 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 2nef s PRO 136 Cb -0.11 -3.54 0.30 0.00 0.04 0.00 0.00 34.50 31.19 2nef s PRO 136 CO 0.27 -0.42 1.88 -0.07 0.04 0.00 0.00 177.00 178.69 2nef h LEU 137 N 8.08 1.03-10.23 -3.56 3.38 -1.80 -3.42 115.31 108.79 2nef h LEU 137 Ca -0.35 -0.09 -0.43 0.00 0.09 0.00 0.00 57.88 57.11 2nef h LEU 137 Cb 1.16 -0.26 0.19 0.00 0.09 0.00 0.00 40.66 41.85 2nef h LEU 137 CO 0.87 0.83 0.06 -0.89 0.09 0.00 0.00 178.44 179.40 2nef s THR 138 N -5.75 1.80 0.00 0.22 2.01 -1.26 -5.02 115.64 107.63 2nef s THR 138 Ca -0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.88 2nef s THR 138 Cb 0.17 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.42 2nef s THR 138 CO 0.82 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 175.08 2nef n PHE 139 N -4.83 0.00 -0.22 4.92 7.35 -1.26 -4.54 117.46 118.88 2nef n PHE 139 Ca 0.07 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 57.05 2nef n PHE 139 Cb 0.57 0.00 0.55 0.00 0.35 0.00 0.00 39.48 40.95 2nef n PHE 139 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2nef h GLY 140 N 0.00 0.00 -7.29 7.13 0.00 -1.85 -3.32 103.07 97.74 2nef h GLY 140 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2nef h GLY 140 CO 0.00 0.00 1.11 0.86 0.00 0.00 0.00 176.54 178.51 2nef s TRP 141 N -4.54 2.00 -0.14 5.60 -0.00 -1.26 -3.61 118.94 116.99 2nef s TRP 141 Ca -0.03 0.24 -0.01 0.00 -0.00 0.00 0.00 56.10 56.30 2nef s TRP 141 Cb 0.16 -4.29 0.08 0.00 -0.00 0.00 0.00 33.47 29.42 2nef s TRP 141 CO 0.54 -1.99 2.07 0.00 -0.00 0.00 0.00 176.95 177.57 2nef s TYR 143 N -0.76 3.20 -0.11 0.00 2.02 -1.26 -2.03 117.35 118.40 2nef s TYR 143 Ca 0.16 -0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2nef s TYR 143 Cb 0.12 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2nef s TYR 143 CO -0.01 0.03 -0.08 0.15 -1.57 0.00 0.00 175.55 174.07 2nef s LYS 144 N 0.66 1.58 0.49 -0.62 1.02 -1.12 -3.95 119.74 117.80 2nef s LYS 144 Ca 0.03 -0.28 -0.19 0.00 0.02 0.00 0.00 55.97 55.56 2nef s LYS 144 Cb -0.13 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.48 2nef s LYS 144 CO 0.02 -0.26 0.99 -0.51 -0.92 0.00 0.00 175.35 174.67 2nef s LEU 145 N 1.66 3.77 -0.27 3.17 1.43 -1.12 -1.65 118.68 125.67 2nef s LEU 145 Ca 0.04 1.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 2nef s LEU 145 Cb -0.13 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.64 2nef s LEU 145 CO -0.08 -0.63 0.66 -0.69 0.23 0.00 0.00 176.35 175.84 2nef s VAL 146 N -2.31 -0.03 0.49 -1.59 1.01 -1.11 -3.13 120.40 113.73 2nef s VAL 146 Ca 0.62 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2nef s VAL 146 Cb -0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 2nef s VAL 146 CO 0.23 0.00 1.04 -2.16 0.00 0.00 0.00 175.10 174.22 2nef s PRO 147 N 1.66 3.77 0.58 2.72 0.04 -1.26 -2.99 135.00 139.51 2nef s PRO 147 Ca -0.10 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 2nef s PRO 147 Cb -0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2nef s PRO 147 CO -0.19 -0.46 0.89 0.08 0.04 0.00 0.00 177.00 177.36 2nef s VAL 148 N -1.98 3.81 0.53 -0.36 1.01 -1.26 -5.00 120.40 117.15 2nef s VAL 148 Ca 0.67 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 2nef s VAL 148 Cb -0.17 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2nef s VAL 148 CO 0.21 -0.52 1.12 -1.61 0.00 0.00 0.00 175.10 174.29 2nef s GLU 149 N -4.97 3.44 -0.83 2.72 0.41 -1.26 -4.76 118.70 113.44 2nef s GLU 149 Ca 0.53 1.58 -0.16 0.00 -0.41 0.00 0.00 54.97 56.52 2nef s GLU 149 Cb -0.11 -2.03 -0.24 0.00 -1.78 0.00 0.00 34.13 29.97 2nef s GLU 149 CO 0.45 -0.77 2.00 -2.30 -0.49 0.00 0.00 175.26 174.15 2nef n PRO 150 N -1.21 0.00 -1.73 0.39 -0.02 -1.26 -4.78 135.00 126.39 2nef n PRO 150 Ca 0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 2nef n PRO 150 Cb 0.51 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2nef s GLU 151 N 6.58 4.15 -0.72 -0.52 0.41 -1.26 -4.85 118.70 122.49 2nef s GLU 151 Ca 1.11 2.55 -0.06 0.00 -0.41 0.00 0.00 54.97 58.16 2nef s GLU 151 Cb -0.86 -4.09 -0.08 0.00 -1.78 0.00 0.00 34.13 27.32 2nef s GLU 151 CO 0.44 -0.93 3.05 0.36 -0.49 0.00 0.00 175.26 177.69 2nef n LYS 152 N 7.34 2.95 -0.08 1.61 2.85 -1.26 -4.92 118.16 126.65 2nef n LYS 152 Ca 0.19 -2.04 0.00 0.00 -1.05 0.00 0.00 58.31 55.41 2nef n LYS 152 Cb 0.41 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 2nef n LYS 152 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2nef n LEU 153 N 2.20 0.00 0.00 -5.58 -0.00 -1.26 -5.06 117.00 107.30 2nef n LEU 153 Ca 0.56 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 56.31 2nef n LEU 153 Cb 0.55 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.18 2nef n LEU 153 CO 0.44 -0.37 0.67 -0.62 -0.00 0.00 0.00 177.39 177.51 2nef n GLU 154 N -0.74 -2.04 -2.37 1.47 1.02 -1.26 -4.94 120.64 111.78 2nef n GLU 154 Ca 0.00 -1.70 -0.43 0.00 -0.02 0.00 0.00 57.16 55.01 2nef n GLU 154 Cb 0.00 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 2nef n GLU 154 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 155 N -5.41 3.90 0.00 3.49 2.56 -1.26 -5.01 118.70 116.97 2nef s GLU 155 Ca 0.65 1.32 0.00 0.00 0.00 0.00 0.00 54.97 56.94 2nef s GLU 155 Cb -0.04 -3.90 0.00 0.00 2.00 0.00 0.00 34.13 32.19 2nef s GLU 155 CO 0.48 -1.14 0.00 0.00 -0.56 0.00 0.00 175.26 174.04 2nef n ALA 156 N 7.74 0.00 -1.89 6.30 0.00 -1.26 -5.05 120.51 126.35 2nef n ALA 156 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 2nef n ALA 156 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2nef n ALA 156 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nef n ASN 157 N -0.61 -0.55 -3.41 0.00 6.94 -1.26 -5.13 115.26 111.23 2nef n ASN 157 Ca 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 2nef n ASN 157 Cb 0.00 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 2nef n ASN 157 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2nef n LYS 158 N 0.00 2.23 -0.55 -3.83 5.02 -1.26 -5.05 118.16 114.71 2nef n LYS 158 Ca -0.15 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.12 2nef n LYS 158 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.57 2nef n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2nef n ASP 174 N 0.00 0.05 -0.05 4.39 5.75 -1.26 -5.04 116.55 120.38 2nef n ASP 174 Ca 0.00 -1.05 -0.20 0.00 -0.01 0.00 0.00 54.79 53.53 2nef n ASP 174 Cb 0.00 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 2nef n ASP 174 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2nef h ASP 175 N -0.05 0.14 0.00 -1.12 3.58 -2.06 -3.39 116.42 113.53 2nef h ASP 175 Ca -0.02 -0.74 -0.00 0.00 0.42 0.00 0.00 57.03 56.68 2nef h ASP 175 Cb 0.06 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2nef h ASP 175 CO 0.02 1.44 0.44 -2.65 -2.88 0.00 0.00 179.24 175.62 2nef n PRO 176 N -4.26 0.05 0.00 0.28 -0.02 -1.26 -4.33 135.00 125.46 2nef n PRO 176 Ca -0.25 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2nef n PRO 176 Cb 0.73 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 32.72 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 177 N 2.92 0.99 0.00 -0.52 1.02 -1.26 -3.29 120.64 120.49 2nef n GLU 177 Ca 0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 2nef n GLU 177 Cb 0.02 -1.01 0.78 0.00 -0.02 0.00 0.00 31.44 31.21 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2nef n ARG 178 N -0.51 0.62 -0.07 3.49 0.63 -1.26 -3.24 116.66 116.33 2nef n ARG 178 Ca 0.01 -0.05 0.01 0.00 -0.92 0.00 0.00 57.85 56.90 2nef n ARG 178 Cb 0.00 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.45 2nef n ARG 178 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2nef n GLU 179 N -1.15 1.30 -2.97 -0.14 2.13 -1.21 -4.58 120.64 114.02 2nef n GLU 179 Ca 0.17 -0.30 -0.44 0.00 0.66 0.00 0.00 57.16 57.25 2nef n GLU 179 Cb 0.22 -1.35 -0.00 0.00 0.27 0.00 0.00 31.44 30.57 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2nef s VAL 180 N -1.49 5.05 -0.08 6.31 1.01 -1.20 -4.48 120.40 125.52 2nef s VAL 180 Ca 0.05 -2.58 0.03 0.00 0.00 0.00 0.00 61.98 59.49 2nef s VAL 180 Cb 0.03 -4.88 -0.01 0.00 0.00 0.00 0.00 36.38 31.52 2nef s VAL 180 CO 0.02 -1.59 -0.19 -0.76 0.00 0.00 0.00 175.10 172.59 2nef s LEU 181 N 1.54 2.43 -0.10 3.92 1.43 -1.21 -4.39 118.68 122.30 2nef s LEU 181 Ca 0.41 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2nef s LEU 181 Cb -0.03 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2nef s LEU 181 CO -0.01 0.24 0.16 -1.83 0.23 0.00 0.00 176.35 175.14 2nef s GLU 182 N -0.12 3.47 -0.44 1.70 -1.05 -1.16 0.30 118.70 121.41 2nef s GLU 182 Ca -0.03 -0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.39 2nef s GLU 182 Cb -0.14 -3.18 0.01 0.00 -0.44 0.00 0.00 34.13 30.38 2nef s GLU 182 CO 0.04 0.76 1.42 -1.58 0.95 0.00 0.00 175.26 176.86 2nef s TRP 183 N -1.06 2.36 -0.53 4.83 0.51 -1.05 -2.76 118.94 121.25 2nef s TRP 183 Ca 0.17 0.64 -0.19 0.00 -2.12 0.00 0.00 56.10 54.60 2nef s TRP 183 Cb -0.12 -4.32 0.07 0.00 -0.81 0.00 0.00 33.47 28.29 2nef s TRP 183 CO 0.06 -1.99 0.63 0.50 -0.51 0.00 0.00 176.95 175.64 2nef s ARG 184 N 5.06 3.09 0.20 4.98 3.52 -0.66 0.12 118.95 135.27 2nef s ARG 184 Ca 0.60 -1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2nef s ARG 184 Cb -0.13 -4.15 -0.09 0.00 -1.56 0.00 0.00 34.95 29.02 2nef s ARG 184 CO 0.32 -1.30 1.39 0.12 -0.81 0.00 0.00 175.30 175.01 2nef s PHE 185 N 2.59 3.16 -0.48 5.12 2.19 -1.26 -2.79 117.98 126.51 2nef s PHE 185 Ca 0.13 1.06 0.06 0.00 0.33 0.00 0.00 56.93 58.51 2nef s PHE 185 Cb -0.21 -3.72 0.22 0.00 -1.31 0.00 0.00 43.02 38.00 2nef s PHE 185 CO 0.10 -2.36 0.72 -3.47 1.83 0.00 0.00 175.22 172.03 2nef n ASP 186 N 2.90 -2.35 0.00 6.13 -0.08 -0.86 -4.97 116.55 117.32 2nef n ASP 186 Ca 0.08 -2.98 0.00 0.00 -1.51 0.00 0.00 54.79 50.38 2nef n ASP 186 Cb 0.41 1.16 0.00 0.00 2.34 0.00 0.00 41.12 45.04 2nef n ASP 186 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2nef n SER 187 N 2.18 0.00 0.19 1.67 7.64 -1.26 -1.39 113.62 122.65 2nef n SER 187 Ca 0.16 0.10 0.13 0.00 1.01 0.00 0.00 58.87 60.28 2nef n SER 187 Cb 0.57 -0.10 0.71 0.00 -1.01 0.00 0.00 64.21 64.38 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2nef h ARG 188 N 0.00 0.00 0.00 1.43 2.43 -1.93 0.70 114.38 117.01 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nef h ARG 188 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2nef h ARG 188 CO 0.00 0.00 0.00 -0.11 -1.51 0.00 0.00 179.97 178.35 2nef n LEU 189 N -4.31 0.00 0.03 3.80 -0.00 -0.48 -1.73 117.00 114.30 2nef n LEU 189 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.12 2nef n LEU 189 Cb 0.26 -0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.11 2nef n LEU 189 CO 0.33 -0.00 0.83 0.00 -0.00 0.00 0.00 177.39 178.55 2nef n ALA 190 N -1.00 1.90 0.00 1.96 0.00 0.24 -4.19 120.51 119.42 2nef n ALA 190 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nef n ALA 190 Cb 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.67 0.00 -1.42 0.00 1.16 -0.71 -5.05 117.46 109.77 2nef n PHE 191 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.33 2nef n PHE 191 Cb 0.25 0.00 0.21 0.00 -1.61 0.00 0.00 39.48 38.33 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2nef s HIS 192 N -1.02 1.00 -0.44 2.97 2.46 -1.01 -5.06 115.29 114.20 2nef s HIS 192 Ca 0.00 0.45 0.04 0.00 0.47 0.00 0.00 55.06 56.02 2nef s HIS 192 Cb 0.00 -3.69 0.19 0.00 -0.13 0.00 0.00 32.58 28.94 2nef s HIS 192 CO 0.00 -3.35 0.77 -3.38 -2.47 0.00 0.00 174.74 166.31 2nef s HIS 193 N -3.35 -1.40 0.03 3.88 -3.43 -1.26 -4.75 115.29 105.02 2nef s HIS 193 Ca 0.72 -0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 54.71 2nef s HIS 193 Cb -0.08 0.27 -0.33 0.00 -1.43 0.00 0.00 32.58 31.01 2nef s HIS 193 CO 0.55 -1.03 0.99 0.52 -2.00 0.00 0.00 174.74 173.77 2nef h MET 194 N 5.69 0.44 -0.03 -0.38 2.86 -1.97 -3.24 114.93 118.30 2nef h MET 194 Ca 0.04 -0.75 0.01 0.00 -2.06 0.00 0.00 59.70 56.94 2nef h MET 194 Cb 1.15 0.28 -0.00 0.00 0.06 0.00 0.00 31.60 33.09 2nef h MET 194 CO 0.02 1.35 0.45 0.00 1.06 0.00 0.00 176.91 179.79 2nef h ALA 195 N 0.29 1.48 0.10 6.32 0.00 -1.95 -0.98 119.26 124.53 2nef h ALA 195 Ca -0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2nef h ALA 195 Cb 2.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2nef h ALA 195 CO 0.24 -0.46 -0.05 -0.09 0.00 0.00 0.00 179.25 178.89 2nef h ARG 196 N 0.00 -0.13 0.00 0.00 2.43 -1.91 -3.00 114.38 111.77 2nef h ARG 196 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2nef h ARG 196 Cb 0.91 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2nef h ARG 196 CO -0.00 0.36 0.00 1.05 -1.51 0.00 0.00 179.97 179.87 2nef h GLU 197 N -0.71 0.00 0.00 0.20 4.11 -1.37 -3.28 114.58 113.52 2nef h GLU 197 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2nef h GLU 197 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2nef h GLU 197 CO 0.02 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.38 2nef n LEU 198 N -2.48 1.39 -3.25 3.06 4.77 -0.96 -4.88 117.00 114.66 2nef n LEU 198 Ca 0.02 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 2nef n LEU 198 Cb 0.26 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2nef n LEU 198 CO 0.22 -0.24 -0.16 -1.00 -1.33 0.00 0.00 177.39 174.88 2nef s HIS 199 N -0.63 -0.05 -0.73 -1.77 3.76 -1.14 -4.97 115.29 109.76 2nef s HIS 199 Ca 0.00 -1.34 0.25 0.00 -0.15 0.00 0.00 55.06 53.83 2nef s HIS 199 Cb 0.00 -0.45 0.56 0.00 1.11 0.00 0.00 32.58 33.80 2nef s HIS 199 CO 0.00 -0.98 1.51 -0.35 -0.85 0.00 0.00 174.74 174.06 2nef n PRO 200 N 3.46 0.23 0.26 8.40 -0.04 -1.24 -4.05 135.00 142.03 2nef n PRO 200 Ca 0.19 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2nef n PRO 200 Cb 0.48 -1.69 0.30 0.00 -0.04 0.00 0.00 33.50 32.55 2nef n PRO 200 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2nef h GLU 201 N 0.00 0.00 0.09 0.54 5.08 -1.93 0.48 114.58 118.84 2nef h GLU 201 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2nef h GLU 201 Cb 0.70 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.97 2nef h GLU 201 CO 0.00 0.00 -0.76 1.88 -1.00 0.00 0.00 179.01 179.13 2nef h TYR 202 N 0.00 0.59 -3.19 4.33 0.05 -2.01 -3.46 116.97 113.29 2nef h TYR 202 Ca 0.00 -0.39 -0.46 0.00 0.05 0.00 0.00 58.73 57.93 2nef h TYR 202 Cb 1.22 -0.04 0.05 0.00 1.01 0.00 0.00 36.73 38.96 2nef h TYR 202 CO 0.00 1.26 0.06 -0.06 -1.05 0.00 0.00 178.16 178.37 2nef s PHE 203 N -2.74 3.14 -0.21 4.88 0.08 0.17 -4.96 117.98 118.34 2nef s PHE 203 Ca -0.13 0.38 -0.29 0.00 0.12 0.00 0.00 56.93 57.01 2nef s PHE 203 Cb 0.02 -2.66 -0.06 0.00 -0.57 0.00 0.00 43.02 39.75 2nef s PHE 203 CO 0.83 -0.75 2.20 1.17 -0.10 0.00 0.00 175.22 178.57 2nef n LYS 204 N -2.42 1.98 -1.44 0.44 3.00 -1.26 -4.83 118.16 113.62 2nef n LYS 204 Ca 0.04 0.56 -0.42 0.00 -0.00 0.00 0.00 58.31 58.50 2nef n LYS 204 Cb 0.58 -3.17 -0.02 0.00 0.00 0.00 0.00 35.03 32.41 2nef n LYS 204 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2nef n ASN 205 N 11.26 3.56 -0.07 3.14 6.94 -1.26 -5.07 115.26 133.77 2nef n ASN 205 Ca 0.30 -2.75 0.16 0.00 -0.02 0.00 0.00 54.58 52.27 2nef n ASN 205 Cb 0.43 -1.42 0.89 0.00 -2.36 0.00 0.00 39.78 37.33 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23