#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 0.15 0.00 -0.00 -1.26 -4.60 117.44 111.74 2nef n TRP 57 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 2nef n TRP 57 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.38 2nef n TRP 57 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2nef h LEU 58 N 0.00 0.00 -7.20 5.87 5.85 -2.04 -3.40 115.31 114.39 2nef h LEU 58 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 2nef h LEU 58 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2nef h LEU 58 CO 0.00 0.11 2.15 -0.62 -0.34 0.00 0.00 178.44 179.74 2nef n GLU 59 N -2.94 2.38 -0.34 1.25 -0.58 -1.26 -4.76 120.64 114.39 2nef n GLU 59 Ca 0.01 -2.64 -0.01 0.00 -0.42 0.00 0.00 57.16 54.11 2nef n GLU 59 Cb 0.59 -3.40 -0.01 0.00 -0.57 0.00 0.00 31.44 28.05 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef n ALA 60 N 9.22 3.17 -3.96 0.62 0.00 -1.26 -4.54 120.51 123.76 2nef n ALA 60 Ca 0.49 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 2nef n ALA 60 Cb 0.43 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 2nef n ALA 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2nef s GLN 61 N 0.81 1.84 0.00 0.00 1.11 -1.26 -5.01 119.66 117.14 2nef s GLN 61 Ca 0.03 -2.43 0.00 0.00 0.01 0.00 0.00 55.36 52.97 2nef s GLN 61 Cb 0.01 -3.26 0.00 0.00 -1.01 0.00 0.00 33.01 28.75 2nef s GLN 61 CO 0.00 -1.07 0.00 0.39 0.01 0.00 0.00 175.29 174.62 2nef n GLU 62 N 3.38 0.00 -1.43 2.91 -0.58 -1.26 -2.45 120.64 121.22 2nef n GLU 62 Ca 0.05 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.50 2nef n GLU 62 Cb 0.34 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.12 2nef n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2nef n GLU 63 N -0.63 0.72 -1.28 3.49 2.13 -1.26 -4.88 120.64 118.93 2nef n GLU 63 Ca 0.00 -1.80 -0.27 0.00 0.66 0.00 0.00 57.16 55.75 2nef n GLU 63 Cb 0.00 -3.43 0.22 0.00 0.27 0.00 0.00 31.44 28.50 2nef n GLU 63 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2nef n GLU 64 N 7.97 -2.27 -2.74 5.31 0.28 -1.02 -5.06 120.64 123.11 2nef n GLU 64 Ca 0.45 -1.73 -0.06 0.00 -0.16 0.00 0.00 57.16 55.66 2nef n GLU 64 Cb 0.45 -1.41 0.04 0.00 1.43 0.00 0.00 31.44 31.94 2nef n GLU 64 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nef n GLU 65 N -4.20 0.56 -0.41 3.44 0.28 -1.26 -5.00 120.64 114.05 2nef n GLU 65 Ca 0.15 -1.62 0.00 0.00 -0.16 0.00 0.00 57.16 55.53 2nef n GLU 65 Cb 0.54 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.23 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2nef n VAL 66 N 2.14 1.79 0.00 3.84 0.31 -1.26 -4.91 118.33 120.24 2nef n VAL 66 Ca 0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2nef n VAL 66 Cb 0.62 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 1.37 1.10 3.86 2.92 0.00 -1.26 -4.35 105.19 108.83 2nef n GLY 67 Ca 0.00 0.71 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 3.40 0.27 1.61 -0.71 -1.26 -5.03 117.98 116.26 2nef s PHE 68 Ca 0.00 1.18 -0.30 0.00 -1.04 0.00 0.00 56.93 56.78 2nef s PHE 68 Cb 0.00 -2.52 -0.10 0.00 -1.21 0.00 0.00 43.02 39.19 2nef s PHE 68 CO 0.00 0.02 1.32 -1.25 -1.34 0.00 0.00 175.22 173.97 2nef s PRO 69 N -3.28 4.37 0.42 1.99 0.04 -1.26 -5.01 135.00 132.27 2nef s PRO 69 Ca 0.54 2.15 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 2nef s PRO 69 Cb -0.10 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2nef s PRO 69 CO 0.22 -0.23 0.87 0.08 0.04 0.00 0.00 177.00 177.98 2nef s VAL 70 N -0.48 4.59 -0.34 -0.36 1.01 -1.26 -5.03 120.40 118.52 2nef s VAL 70 Ca 0.53 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 63.38 2nef s VAL 70 Cb -0.39 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2nef s VAL 70 CO 0.45 -0.44 0.71 0.28 0.00 0.00 0.00 175.10 176.10 2nef s THR 71 N -2.31 4.83 0.00 3.92 -1.32 -1.26 -5.06 115.64 114.44 2nef s THR 71 Ca 0.57 0.82 0.00 0.00 -1.21 0.00 0.00 61.69 61.86 2nef s THR 71 Cb -0.10 -4.12 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 2nef s THR 71 CO 0.24 -0.32 0.00 -2.65 -2.21 0.00 0.00 174.62 169.67 2nef n PRO 72 N 6.18 2.12 -0.90 7.08 -0.02 -1.26 -4.41 135.00 143.79 2nef n PRO 72 Ca 0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 2nef n PRO 72 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nef n GLN 73 N -0.00 0.00 -3.19 -0.52 6.02 -1.26 -4.76 117.38 113.67 2nef n GLN 73 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2nef n GLN 73 Cb 0.00 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 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 3.99 4.98 -0.06 5.09 -7.23 -1.26 -4.96 120.40 120.95 2nef s VAL 74 Ca 0.81 0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.80 2nef s VAL 74 Cb -0.69 -3.76 -0.15 0.00 0.56 0.00 0.00 36.38 32.34 2nef s VAL 74 CO 0.31 -0.43 0.84 -2.65 -0.31 0.00 0.00 175.10 172.86 2nef n PRO 75 N -1.22 0.00 -1.62 4.82 -0.02 -1.26 -4.66 135.00 131.04 2nef n PRO 75 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 2nef n PRO 75 Cb 0.54 -1.09 -0.04 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.36 3.31 -0.31 2.45 1.43 -1.26 -4.92 118.68 119.73 2nef s LEU 76 Ca 0.68 0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 2nef s LEU 76 Cb -0.95 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 42.76 2nef s LEU 76 CO 0.44 -2.98 0.90 -0.13 0.23 0.00 0.00 176.35 174.82 2nef s ARG 77 N 8.20 4.00 -0.27 1.70 1.81 -1.26 -4.96 118.95 128.17 2nef s ARG 77 Ca 0.93 0.77 -0.43 0.00 -1.72 0.00 0.00 55.73 55.28 2nef s ARG 77 Cb -0.16 -3.73 -0.20 0.00 -0.45 0.00 0.00 34.95 30.41 2nef s ARG 77 CO 0.22 -0.77 1.34 -2.30 -0.68 0.00 0.00 175.30 173.11 2nef n PRO 78 N 6.46 0.00 -2.06 3.54 -0.02 -1.26 -4.81 135.00 136.85 2nef n PRO 78 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 2nef n PRO 78 Cb 0.48 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 2nef n PRO 78 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2nef s MET 79 N 1.62 3.44 0.17 -0.52 1.75 -1.26 -4.98 119.30 119.51 2nef s MET 79 Ca 0.97 1.40 -0.12 0.00 -1.25 0.00 0.00 55.69 56.69 2nef s MET 79 Cb -1.37 -4.15 -0.07 0.00 2.84 0.00 0.00 34.83 32.08 2nef s MET 79 CO 0.69 -1.73 0.53 0.95 -0.65 0.00 0.00 175.02 174.81 2nef s THR 80 N 6.43 4.92 0.24 10.11 -4.23 -1.26 -4.91 115.64 126.94 2nef s THR 80 Ca 0.76 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.86 2nef s THR 80 Cb -0.22 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.15 2nef s THR 80 CO 0.33 0.13 1.75 0.22 -0.54 0.00 0.00 174.62 176.51 2nef h TYR 81 N 3.20 0.58 -0.14 3.99 3.20 -1.94 2.69 116.97 128.55 2nef h TYR 81 Ca -0.48 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.46 2nef h TYR 81 Cb 1.18 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2nef h TYR 81 CO 0.64 0.13 0.11 -0.22 -1.64 0.00 0.00 178.16 177.18 2nef h LYS 82 N 0.52 0.00 -0.31 1.82 3.64 -1.95 0.14 116.57 120.43 2nef h LYS 82 Ca 0.40 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 2nef h LYS 82 Cb 0.54 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2nef h LYS 82 CO -0.35 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 176.81 2nef h ALA 83 N 1.92 1.41 0.18 5.00 0.00 0.44 -0.69 119.26 127.51 2nef h ALA 83 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2nef h ALA 83 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2nef h ALA 83 CO -0.00 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 2nef h ALA 84 N 1.54 -0.24 -0.21 0.00 0.00 -0.08 0.42 119.26 120.69 2nef h ALA 84 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2nef h ALA 84 Cb 0.32 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2nef h ALA 84 CO 0.01 -0.54 0.07 0.28 0.00 0.00 0.00 179.25 179.07 2nef h VAL 85 N -0.42 1.19 -0.86 0.00 2.07 -1.40 0.20 116.25 117.02 2nef h VAL 85 Ca -0.02 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2nef h VAL 85 Cb 0.33 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2nef h VAL 85 CO 0.04 0.18 0.52 0.44 0.02 0.00 0.00 177.57 178.77 2nef h ASP 86 N 0.18 1.03 -0.58 0.57 5.19 -1.09 -1.94 116.42 119.78 2nef h ASP 86 Ca 0.07 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2nef h ASP 86 Cb 0.22 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 2nef h ASP 86 CO -0.00 0.79 0.28 0.25 -3.12 0.00 0.00 179.24 177.44 2nef h LEU 87 N 1.18 0.75 -0.28 1.55 5.85 0.25 0.20 115.31 124.81 2nef h LEU 87 Ca 0.31 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2nef h LEU 87 Cb -0.05 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 2nef h LEU 87 CO -0.06 0.67 -0.19 0.77 -0.34 0.00 0.00 178.44 179.29 2nef h SER 88 N 0.78 -0.62 0.64 1.25 4.64 0.16 -0.59 113.55 119.81 2nef h SER 88 Ca 0.20 0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2nef h SER 88 Cb 0.12 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2nef h SER 88 CO -0.03 -0.23 -0.65 0.45 -0.87 0.00 0.00 176.83 175.51 2nef h HIS 89 N -0.17 0.02 0.14 4.77 3.86 -1.26 -2.95 115.15 119.55 2nef h HIS 89 Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2nef h HIS 89 Cb 0.40 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2nef h HIS 89 CO -0.37 0.66 -0.14 0.35 0.86 0.00 0.00 177.93 179.29 2nef h PHE 90 N 0.01 -0.36 -0.01 2.45 3.57 0.79 -0.96 116.94 122.43 2nef h PHE 90 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2nef h PHE 90 Cb 1.15 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2nef h PHE 90 CO 0.00 -0.21 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.77 2nef h LEU 91 N -0.31 0.02 -0.78 0.59 3.38 -1.17 -1.87 115.31 115.17 2nef h LEU 91 Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2nef h LEU 91 Cb 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2nef h LEU 91 CO -0.04 0.04 0.30 0.50 0.09 0.00 0.00 178.44 179.33 2nef h LYS 92 N 0.02 1.17 -0.31 1.13 3.64 -1.02 -2.92 116.57 118.29 2nef h LYS 92 Ca 0.00 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 2nef h LYS 92 Cb 0.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2nef h LYS 92 CO 0.00 0.96 -0.29 0.93 -2.27 0.00 0.00 179.45 178.78 2nef h GLU 93 N 1.14 0.74 -1.22 1.90 4.39 -0.67 -2.99 114.58 117.87 2nef h GLU 93 Ca 0.26 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2nef h GLU 93 Cb 0.24 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2nef h GLU 93 CO -0.02 1.00 0.00 1.63 -1.16 0.00 0.00 179.01 180.47 2nef n LYS 94 N -4.24 0.91 0.00 2.33 5.02 -1.02 -4.86 118.16 116.30 2nef n LYS 94 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2nef n LYS 94 Cb 0.48 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2nef n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nef n GLY 95 N 0.69 3.28 3.33 0.72 0.00 -1.13 -4.91 105.19 107.17 2nef n GLY 95 Ca 0.00 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.68 2nef n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nef s GLY 96 N 0.00 2.34 0.43 -0.02 0.00 -1.26 -3.97 107.32 104.84 2nef s GLY 96 Ca 0.00 -2.91 0.23 0.00 0.00 0.00 0.00 44.72 42.04 2nef s GLY 96 CO 0.00 1.31 1.63 -2.00 0.00 0.00 0.00 173.10 174.04 2nef h LEU 97 N 8.53 0.00 -9.93 0.66 5.85 -1.87 -3.43 115.31 115.12 2nef h LEU 97 Ca -0.07 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.10 2nef h LEU 97 Cb 1.07 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.28 2nef h LEU 97 CO 0.91 0.07 0.02 1.21 -0.34 0.00 0.00 178.44 180.31 2nef n GLU 98 N -3.12 0.38 -0.45 1.25 0.00 -1.26 -1.82 120.64 115.62 2nef n GLU 98 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.38 2nef n GLU 98 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 31.44 29.80 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nef n GLY 99 N 1.12 0.00 3.63 8.31 0.00 0.40 -4.86 105.19 113.79 2nef n GLY 99 Ca 0.12 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 3.83 -0.31 0.99 2.96 -0.75 -4.76 118.68 120.65 2nef s LEU 100 Ca 0.00 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.80 2nef s LEU 100 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 2nef s LEU 100 CO 0.00 -1.15 2.02 -0.63 -1.32 0.00 0.00 176.35 175.27 2nef s ILE 101 N 4.58 3.25 -0.19 6.68 -1.09 -1.26 -2.68 121.20 130.49 2nef s ILE 101 Ca 0.58 0.24 -0.29 0.00 -2.23 0.00 0.00 60.65 58.95 2nef s ILE 101 Cb -0.17 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 2nef s ILE 101 CO 0.25 -0.24 1.80 -2.28 -1.23 0.00 0.00 174.94 173.24 2nef s HIS 102 N 7.94 1.77 0.00 3.97 5.65 0.96 -4.89 115.29 130.69 2nef s HIS 102 Ca 0.89 0.40 0.00 0.00 0.25 0.00 0.00 55.06 56.60 2nef s HIS 102 Cb -0.26 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.11 2nef s HIS 102 CO 0.33 -3.55 0.46 -1.13 -0.65 0.00 0.00 174.74 170.20 2nef n SER 103 N 9.12 0.00 0.00 9.88 3.41 -1.26 -3.16 113.62 131.61 2nef n SER 103 Ca 0.21 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2nef n SER 103 Cb 0.45 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2nef n GLN 104 N -1.54 0.00 0.04 4.33 -0.06 -1.26 -4.56 117.38 114.33 2nef n GLN 104 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 55.07 2nef n GLN 104 Cb 0.00 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 26.48 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2nef n ARG 105 N -0.58 0.05 0.03 3.69 1.74 -1.26 -2.53 116.66 117.80 2nef n ARG 105 Ca 0.00 0.37 0.17 0.00 -0.77 0.00 0.00 57.85 57.62 2nef n ARG 105 Cb 0.00 -1.61 0.66 0.00 -1.02 0.00 0.00 32.46 30.49 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2nef h ARG 106 N 0.00 0.05 -0.62 5.56 2.43 -1.96 -0.18 114.38 119.67 2nef h ARG 106 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2nef h ARG 106 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2nef h ARG 106 CO 0.00 0.04 0.21 0.37 -1.51 0.00 0.00 179.97 179.07 2nef h GLN 107 N 0.06 0.95 -0.94 0.20 4.15 -1.90 -2.47 115.11 115.15 2nef h GLN 107 Ca 0.21 -0.20 0.08 0.00 0.77 0.00 0.00 58.65 59.52 2nef h GLN 107 Cb 0.78 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.26 2nef h GLN 107 CO -0.01 0.83 0.59 -0.44 -1.93 0.00 0.00 178.83 177.87 2nef h ASP 108 N 0.88 0.92 -0.40 -0.69 3.32 -1.24 -1.63 116.42 117.57 2nef h ASP 108 Ca 0.20 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2nef h ASP 108 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2nef h ASP 108 CO -0.01 0.56 0.26 0.40 -1.72 0.00 0.00 179.24 178.73 2nef h ILE 109 N 1.03 1.09 0.03 0.35 2.04 -1.36 -0.61 117.51 120.08 2nef h ILE 109 Ca 0.43 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2nef h ILE 109 Cb 0.26 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2nef h ILE 109 CO -0.20 0.10 -0.15 0.25 0.00 0.00 0.00 178.15 178.15 2nef h LEU 110 N 0.53 -0.45 -0.43 1.44 5.85 -1.06 2.13 115.31 123.32 2nef h LEU 110 Ca 0.15 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.00 2nef h LEU 110 Cb -0.05 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 2nef h LEU 110 CO -0.04 -0.15 -0.13 0.44 -0.34 0.00 0.00 178.44 178.22 2nef h ASP 111 N -0.20 -0.46 -0.08 1.25 5.19 -1.45 -0.35 116.42 120.32 2nef h ASP 111 Ca -0.00 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2nef h ASP 111 Cb 0.21 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 2nef h ASP 111 CO -0.08 -0.16 0.02 0.25 -3.12 0.00 0.00 179.24 176.15 2nef h LEU 112 N -0.03 0.12 -0.75 1.55 5.85 -0.72 -2.59 115.31 118.74 2nef h LEU 112 Ca 0.21 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 58.86 2nef h LEU 112 Cb 0.34 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 2nef h LEU 112 CO -0.46 0.30 0.29 -0.25 -0.34 0.00 0.00 178.44 177.98 2nef h TRP 113 N -0.06 0.48 0.00 1.25 7.01 0.41 1.11 115.95 126.15 2nef h TRP 113 Ca 0.03 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2nef h TRP 113 Cb 0.22 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2nef h TRP 113 CO -0.00 0.05 -0.00 0.82 -2.79 0.00 0.00 178.44 176.51 2nef h ILE 114 N 0.42 0.60 0.00 2.65 1.08 -0.80 -3.07 117.51 118.39 2nef h ILE 114 Ca 0.41 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.87 2nef h ILE 114 Cb 0.63 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2nef h ILE 114 CO -0.41 0.00 -0.00 0.22 -0.69 0.00 0.00 178.15 177.27 2nef h TYR 115 N 0.00 -0.00 0.00 1.37 3.20 0.17 -2.91 116.97 118.80 2nef h TYR 115 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2nef h TYR 115 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2nef h TYR 115 CO 0.00 -0.00 0.00 -2.39 -1.64 0.00 0.00 178.16 174.13 2nef n HIS 116 N -2.01 0.00 0.00 -3.82 1.44 -1.12 -0.81 115.22 108.90 2nef n HIS 116 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2nef n HIS 116 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nef n THR 117 N -0.73 0.00 1.44 0.61 -2.24 -1.16 -4.10 114.28 108.09 2nef n THR 117 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2nef n THR 117 Cb 0.01 -0.63 0.68 0.00 -2.10 0.00 0.00 70.33 68.29 2nef n THR 117 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2nef n GLN 118 N -0.44 0.60 -2.95 -0.78 0.00 -1.11 -4.68 117.38 108.03 2nef n GLN 118 Ca 0.00 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.00 56.74 2nef n GLN 118 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 28.78 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 1.27 0.12 0.51 1.69 0.00 0.01 -4.52 105.19 104.27 2nef n GLY 119 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 2nef n GLY 119 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2nef n TYR 120 N -3.86 -3.68 -3.53 1.61 4.01 -1.25 -4.59 117.16 105.86 2nef n TYR 120 Ca -0.02 -0.15 -0.27 0.00 -0.16 0.00 0.00 57.90 57.30 2nef n TYR 120 Cb 0.54 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.32 2nef n TYR 120 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 2nef n PHE 121 N -2.46 0.32 -1.40 -0.72 -1.74 -1.26 -4.83 117.46 105.38 2nef n PHE 121 Ca 0.02 -3.61 -0.42 0.00 -0.56 0.00 0.00 57.45 52.89 2nef n PHE 121 Cb 0.08 -0.01 -0.14 0.00 1.52 0.00 0.00 39.48 40.93 2nef n PHE 121 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 2nef n PRO 122 N 2.51 0.00 -0.47 3.97 -0.02 -1.26 -4.59 135.00 135.14 2nef n PRO 122 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2nef n PRO 122 Cb 0.44 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2nef n ASP 123 N 9.62 0.00 0.00 2.55 5.75 -1.26 -4.85 116.55 128.35 2nef n ASP 123 Ca 0.61 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2nef n ASP 123 Cb 0.02 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.00 0.00 -2.28 2.11 4.27 -1.26 -4.95 117.44 115.33 2nef n TRP 124 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 2nef n TRP 124 Cb 0.56 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.48 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 -1.77 2.89 0.27 -2.67 2.00 -1.26 -4.57 119.66 114.54 2nef s GLN 125 Ca 0.00 0.20 -0.02 0.00 -2.00 0.00 0.00 55.36 53.54 2nef s GLN 125 Cb 0.00 -4.31 -0.02 0.00 0.80 0.00 0.00 33.01 29.48 2nef s GLN 125 CO 0.00 -2.47 0.31 -0.80 -0.50 0.00 0.00 175.29 171.83 2nef s ASN 126 N 6.08 0.58 0.24 6.67 -0.87 -1.26 -5.10 114.94 121.27 2nef s ASN 126 Ca 0.52 -1.39 -0.22 0.00 -1.57 0.00 0.00 52.86 50.20 2nef s ASN 126 Cb -0.10 0.52 0.03 0.00 -0.02 0.00 0.00 41.25 41.68 2nef s ASN 126 CO 0.18 -1.05 0.79 -0.31 -2.57 0.00 0.00 177.10 174.13 2nef s TYR 127 N -3.73 -0.18 0.42 2.20 1.51 -1.26 -3.19 117.35 113.11 2nef s TYR 127 Ca 0.34 -0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 55.91 2nef s TYR 127 Cb 0.03 0.69 -0.09 0.00 -0.11 0.00 0.00 41.96 42.48 2nef s TYR 127 CO 0.16 -1.12 1.36 0.95 -1.11 0.00 0.00 175.55 175.80 2nef s THR 128 N -3.74 2.38 -1.16 -0.71 -4.23 -1.16 -4.77 115.64 102.25 2nef s THR 128 Ca 0.11 0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 60.77 2nef s THR 128 Cb -0.05 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 2nef s THR 128 CO 0.05 0.05 1.98 -0.81 -0.54 0.00 0.00 174.62 175.36 2nef n PRO 129 N 0.06 2.26 -3.51 3.99 -0.04 -1.26 -4.85 135.00 131.65 2nef n PRO 129 Ca 0.04 -2.47 -0.13 0.00 -0.04 0.00 0.00 63.50 60.90 2nef n PRO 129 Cb 0.42 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 2nef n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2nef s GLY 130 N 4.58 -0.49 0.00 0.55 0.00 -1.26 -5.18 107.32 105.52 2nef s GLY 130 Ca 0.56 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.50 2nef s GLY 130 CO 0.05 0.65 0.00 -1.55 0.00 0.00 0.00 173.10 172.25 2nef n PRO 131 N 0.31 0.80 0.00 2.90 -0.04 -1.26 -4.86 135.00 132.85 2nef n PRO 131 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2nef n PRO 131 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 4.30 2.90 3.05 0.55 0.00 -1.26 -4.67 105.19 110.05 2nef n GLY 132 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.00 -1.26 -4.69 119.36 109.65 2nef n ILE 133 Ca 0.00 -0.06 0.05 0.00 -0.00 0.00 0.00 62.75 62.73 2nef n ILE 133 Cb 0.00 -0.51 -0.00 0.00 -0.00 0.00 0.00 39.64 39.13 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 -3.49 0.39 0.25 0.38 0.52 -1.00 -4.93 118.95 111.07 2nef s ARG 134 Ca 0.39 0.37 -0.17 0.00 -0.52 0.00 0.00 55.73 55.80 2nef s ARG 134 Cb -0.07 0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.49 2nef s ARG 134 CO 0.38 -0.72 0.70 0.71 0.02 0.00 0.00 175.30 176.39 2nef s TYR 135 N 2.87 3.54 -0.16 -0.53 1.51 -1.26 -2.75 117.35 120.56 2nef s TYR 135 Ca 0.18 1.27 -0.29 0.00 -1.01 0.00 0.00 57.07 57.22 2nef s TYR 135 Cb -0.06 -2.55 -0.02 0.00 -0.11 0.00 0.00 41.96 39.22 2nef s TYR 135 CO -0.25 0.26 1.31 -1.25 -1.11 0.00 0.00 175.55 174.51 2nef s PRO 136 N -2.35 4.21 0.05 -1.71 0.04 -1.26 -2.96 135.00 131.01 2nef s PRO 136 Ca 0.46 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 2nef s PRO 136 Cb -0.14 -3.80 -0.17 0.00 0.04 0.00 0.00 34.50 30.44 2nef s PRO 136 CO 0.20 -0.75 1.55 -0.07 0.04 0.00 0.00 177.00 177.97 2nef h LEU 137 N 9.86 -0.14-10.21 -3.56 3.38 -1.85 -3.43 115.31 109.35 2nef h LEU 137 Ca -0.28 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 2nef h LEU 137 Cb 1.11 0.04 0.14 0.00 0.09 0.00 0.00 40.66 42.04 2nef h LEU 137 CO 0.97 0.04 0.36 0.42 0.09 0.00 0.00 178.44 180.32 2nef s THR 138 N -5.55 2.68 0.27 0.22 -4.23 -1.26 -4.96 115.64 102.81 2nef s THR 138 Ca -0.14 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2nef s THR 138 Cb 0.04 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2nef s THR 138 CO 0.64 -0.21 0.44 0.12 -0.54 0.00 0.00 174.62 175.07 2nef s PHE 139 N -2.27 3.48 0.00 3.99 5.36 -1.26 -4.38 117.98 122.89 2nef s PHE 139 Ca 0.70 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 2nef s PHE 139 Cb -0.24 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 2nef s PHE 139 CO 0.47 0.30 0.00 0.41 -1.46 0.00 0.00 175.22 174.94 2nef n GLY 140 N -1.33 2.74 3.55 13.12 0.00 -1.26 -4.94 105.19 117.06 2nef n GLY 140 Ca -0.06 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.20 2.00 -0.13 1.61 -0.00 -1.26 -3.44 118.94 116.52 2nef s TRP 141 Ca 0.00 0.30 -0.05 0.00 -0.00 0.00 0.00 56.10 56.35 2nef s TRP 141 Cb 0.00 -4.37 -0.17 0.00 -0.00 0.00 0.00 33.47 28.94 2nef s TRP 141 CO 0.00 -2.15 3.34 0.00 -0.00 0.00 0.00 176.95 178.14 2nef s TYR 143 N 0.21 2.06 -0.16 0.00 2.02 -1.26 -1.32 117.35 118.90 2nef s TYR 143 Ca 0.63 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 2nef s TYR 143 Cb 0.33 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 2nef s TYR 143 CO -0.06 -0.42 -0.06 0.15 -1.57 0.00 0.00 175.55 173.59 2nef s LYS 144 N 0.70 1.51 0.31 -0.62 1.02 -0.84 -4.32 119.74 117.50 2nef s LYS 144 Ca -0.12 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 2nef s LYS 144 Cb -0.16 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 2nef s LYS 144 CO 0.03 -0.39 1.03 -0.51 -0.92 0.00 0.00 175.35 174.58 2nef s LEU 145 N 1.63 4.44 -0.22 3.17 1.43 -1.11 -0.99 118.68 127.04 2nef s LEU 145 Ca 0.02 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.05 2nef s LEU 145 Cb -0.15 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.32 2nef s LEU 145 CO -0.08 -0.14 0.54 -0.69 0.23 0.00 0.00 176.35 176.20 2nef s VAL 146 N -1.36 -0.01 0.04 -1.59 1.01 -1.08 -2.37 120.40 115.04 2nef s VAL 146 Ca 0.48 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2nef s VAL 146 Cb -0.26 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2nef s VAL 146 CO 0.33 0.02 1.02 -2.16 0.00 0.00 0.00 175.10 174.31 2nef s PRO 147 N 1.22 4.56 0.72 2.72 0.04 -1.26 -2.98 135.00 140.02 2nef s PRO 147 Ca -0.07 1.51 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 2nef s PRO 147 Cb -0.06 -3.41 0.16 0.00 0.04 0.00 0.00 34.50 31.22 2nef s PRO 147 CO -0.12 -0.04 0.98 0.28 0.04 0.00 0.00 177.00 178.14 2nef n VAL 148 N 3.62 0.00 -2.84 -0.36 0.31 -1.26 -5.03 118.33 112.76 2nef n VAL 148 Ca 0.06 -0.96 -0.11 0.00 -0.01 0.00 0.00 64.34 63.31 2nef n VAL 148 Cb 0.50 -1.39 0.03 0.00 -0.91 0.00 0.00 33.84 32.07 2nef n VAL 148 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nef n GLU 149 N -3.00 0.83 -0.27 5.55 1.02 -1.26 -4.96 120.64 118.55 2nef n GLU 149 Ca 0.13 -2.10 0.06 0.00 -0.02 0.00 0.00 57.16 55.23 2nef n GLU 149 Cb 0.47 -1.35 0.19 0.00 -0.02 0.00 0.00 31.44 30.72 2nef n GLU 149 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2nef n PRO 150 N 1.27 2.19 0.13 3.49 -0.04 -1.26 -4.31 135.00 136.47 2nef n PRO 150 Ca 0.11 -1.50 0.08 0.00 -0.04 0.00 0.00 63.50 62.16 2nef n PRO 150 Cb 0.63 -1.44 0.44 0.00 -0.04 0.00 0.00 33.50 33.09 2nef n PRO 150 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2nef n GLU 151 N 0.60 0.10 -0.12 0.54 0.28 -1.26 -1.38 120.64 119.41 2nef n GLU 151 Ca 0.14 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 2nef n GLU 151 Cb 0.43 -1.89 0.05 0.00 1.43 0.00 0.00 31.44 31.46 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2nef n LYS 152 N -2.07 1.42 -0.02 3.44 5.02 -1.26 -3.81 118.16 120.89 2nef n LYS 152 Ca -0.01 -0.39 0.09 0.00 -2.02 0.00 0.00 58.31 55.98 2nef n LYS 152 Cb 0.07 -1.51 0.50 0.00 -0.02 0.00 0.00 35.03 34.07 2nef n LYS 152 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2nef n LEU 153 N 0.12 0.35 -3.64 -0.35 -0.00 -0.48 -4.77 117.00 108.23 2nef n LEU 153 Ca 0.04 -0.15 -0.09 0.00 -0.00 0.00 0.00 56.01 55.82 2nef n LEU 153 Cb 0.42 -0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 43.75 2nef n LEU 153 CO 0.05 0.07 0.70 -0.70 -0.00 0.00 0.00 177.39 177.51 2nef s GLU 154 N -1.96 0.53 -0.52 1.47 -6.30 -1.25 -5.10 118.70 105.57 2nef s GLU 154 Ca 0.28 0.66 -0.28 0.00 -2.50 0.00 0.00 54.97 53.13 2nef s GLU 154 Cb 0.13 0.24 0.00 0.00 0.00 0.00 0.00 34.13 34.51 2nef s GLU 154 CO 0.22 -0.07 1.57 -1.21 0.02 0.00 0.00 175.26 175.79 2nef s GLU 155 N 0.39 3.19 0.20 4.30 2.02 -1.26 -4.93 118.70 122.60 2nef s GLU 155 Ca 0.01 0.68 -0.14 0.00 0.02 0.00 0.00 54.97 55.54 2nef s GLU 155 Cb -0.05 -4.18 0.01 0.00 0.10 0.00 0.00 34.13 30.01 2nef s GLU 155 CO -0.07 -2.06 0.44 0.00 0.02 0.00 0.00 175.26 173.59 2nef s ALA 156 N 6.76 -0.49 -0.19 5.21 0.00 -1.26 -5.08 121.76 126.71 2nef s ALA 156 Ca 0.60 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 2nef s ALA 156 Cb -0.13 0.90 -0.21 0.00 0.00 0.00 0.00 23.12 23.68 2nef s ALA 156 CO 0.26 -0.77 0.29 -0.91 0.00 0.00 0.00 175.76 174.63 2nef h ASN 157 N 2.32 0.06 -2.54 0.00 2.35 -2.00 -3.45 115.58 112.31 2nef h ASN 157 Ca -0.29 -0.60 -0.54 0.00 -0.55 0.00 0.00 56.30 54.32 2nef h ASN 157 Cb 1.25 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.61 2nef h ASN 157 CO 0.40 1.49 1.12 -0.54 -1.65 0.00 0.00 177.43 178.25 2nef s LYS 158 N -2.37 4.17 0.25 0.81 1.02 -1.26 -4.98 119.74 117.37 2nef s LYS 158 Ca -0.27 2.39 0.01 0.00 0.02 0.00 0.00 55.97 58.11 2nef s LYS 158 Cb 0.05 -3.94 0.05 0.00 -0.52 0.00 0.00 37.83 33.47 2nef s LYS 158 CO 0.62 -0.86 0.34 -0.40 -0.92 0.00 0.00 175.35 174.14 2nef n ASP 174 N 6.85 0.55 -4.87 2.83 5.68 -1.26 -5.09 116.55 121.24 2nef n ASP 174 Ca 0.18 -1.44 -0.31 0.00 -0.50 0.00 0.00 54.79 52.72 2nef n ASP 174 Cb 0.41 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 40.15 2nef n ASP 174 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2nef s ASP 175 N -2.41 6.56 -0.12 -1.12 1.11 -1.26 -5.01 116.67 114.42 2nef s ASP 175 Ca 0.23 1.21 -0.29 0.00 0.18 0.00 0.00 52.55 53.87 2nef s ASP 175 Cb -0.01 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 2nef s ASP 175 CO 0.15 -0.40 1.52 -2.16 1.18 0.00 0.00 175.17 175.46 2nef s PRO 176 N -3.78 4.12 -0.12 8.23 0.04 -1.26 -4.89 135.00 137.34 2nef s PRO 176 Ca 0.53 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 2nef s PRO 176 Cb -0.10 -3.93 -0.24 0.00 0.04 0.00 0.00 34.50 30.27 2nef s PRO 176 CO 0.30 -0.89 3.41 0.39 0.04 0.00 0.00 177.00 180.25 2nef n GLU 177 N 7.07 2.02 0.00 4.56 1.02 -1.26 -4.84 120.64 129.20 2nef n GLU 177 Ca 0.16 -1.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 2nef n GLU 177 Cb 0.44 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 2.62 0.64 -0.37 3.49 0.63 -1.26 -4.82 116.66 117.60 2nef n ARG 178 Ca 0.43 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2nef n ARG 178 Cb 0.82 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.73 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2nef n GLU 179 N -0.33 0.84 -2.79 -0.14 -0.58 -1.26 -4.73 120.64 111.65 2nef n GLU 179 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2nef n GLU 179 Cb 0.00 -1.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2nef s VAL 180 N 0.30 4.48 0.21 2.62 1.01 -1.26 -4.71 120.40 123.05 2nef s VAL 180 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 61.98 60.53 2nef s VAL 180 Cb 0.00 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 2nef s VAL 180 CO 0.00 -1.71 -0.12 -0.76 0.00 0.00 0.00 175.10 172.51 2nef s LEU 181 N 3.33 2.86 0.04 3.92 1.43 -1.19 -4.53 118.68 124.54 2nef s LEU 181 Ca 0.40 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2nef s LEU 181 Cb -0.02 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2nef s LEU 181 CO -0.06 0.08 -0.24 -1.83 0.23 0.00 0.00 176.35 174.53 2nef s GLU 182 N -3.02 1.89 -0.30 1.70 -1.05 -1.16 0.32 118.70 117.09 2nef s GLU 182 Ca 0.26 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.72 2nef s GLU 182 Cb -0.08 -2.04 -0.00 0.00 -0.44 0.00 0.00 34.13 31.57 2nef s GLU 182 CO 0.15 0.52 1.41 -1.58 0.95 0.00 0.00 175.26 176.71 2nef s TRP 183 N -0.83 2.48 -0.58 4.83 0.51 -1.09 -2.64 118.94 121.62 2nef s TRP 183 Ca 0.12 0.75 -0.19 0.00 -2.12 0.00 0.00 56.10 54.66 2nef s TRP 183 Cb -0.10 -3.99 0.09 0.00 -0.81 0.00 0.00 33.47 28.65 2nef s TRP 183 CO 0.03 -2.08 0.72 0.50 -0.51 0.00 0.00 176.95 175.61 2nef s ARG 184 N 4.44 3.07 0.18 4.98 3.52 -0.16 -0.45 118.95 134.53 2nef s ARG 184 Ca 0.61 -1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 2nef s ARG 184 Cb -0.18 -4.22 -0.09 0.00 -1.56 0.00 0.00 34.95 28.90 2nef s ARG 184 CO 0.26 -1.49 1.39 0.12 -0.81 0.00 0.00 175.30 174.77 2nef s PHE 185 N 2.83 3.18 -0.43 5.12 2.19 -1.26 -1.99 117.98 127.62 2nef s PHE 185 Ca 0.14 1.02 0.08 0.00 0.33 0.00 0.00 56.93 58.50 2nef s PHE 185 Cb -0.22 -3.71 0.33 0.00 -1.31 0.00 0.00 43.02 38.10 2nef s PHE 185 CO 0.08 -2.39 0.97 -3.47 1.83 0.00 0.00 175.22 172.24 2nef n ASP 186 N 3.13 -1.23 0.25 6.13 2.03 -0.43 -4.97 116.55 121.45 2nef n ASP 186 Ca 0.09 -3.45 0.04 0.00 0.52 0.00 0.00 54.79 51.99 2nef n ASP 186 Cb 0.42 1.02 0.06 0.00 -0.72 0.00 0.00 41.12 41.89 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 0.37 0.00 0.32 1.67 3.41 -1.26 0.12 113.62 118.25 2nef n SER 187 Ca 0.13 0.51 0.19 0.00 -0.26 0.00 0.00 58.87 59.44 2nef n SER 187 Cb 0.68 -0.03 1.06 0.00 -0.26 0.00 0.00 64.21 65.66 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 0.00 0.00 4.33 9.65 -1.93 0.14 114.38 126.58 2nef h ARG 188 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2nef h ARG 188 Cb 2.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 2nef h ARG 188 CO -0.00 0.01 0.00 -0.11 2.80 0.00 0.00 179.97 182.67 2nef n LEU 189 N -3.41 0.00 0.00 3.80 0.00 0.33 -1.38 117.00 116.34 2nef n LEU 189 Ca -0.03 0.22 0.11 0.00 0.00 0.00 0.00 56.01 56.31 2nef n LEU 189 Cb 0.09 -0.22 0.62 0.00 0.00 0.00 0.00 43.42 43.91 2nef n LEU 189 CO 0.24 -0.20 0.83 0.00 0.00 0.00 0.00 177.39 178.26 2nef n ALA 190 N -1.22 2.26 0.00 1.96 0.00 0.51 -3.88 120.51 120.14 2nef n ALA 190 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2nef n ALA 190 Cb 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.07 0.00 -1.50 0.00 3.72 -0.48 -5.00 117.46 113.13 2nef n PHE 191 Ca 0.15 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.24 2nef n PHE 191 Cb 0.10 0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.82 2nef n PHE 191 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2nef s HIS 192 N -1.39 2.97 -0.44 1.38 3.76 -1.12 -5.03 115.29 115.42 2nef s HIS 192 Ca 0.00 1.41 0.06 0.00 -0.15 0.00 0.00 55.06 56.38 2nef s HIS 192 Cb 0.00 -2.94 0.21 0.00 1.11 0.00 0.00 32.58 30.95 2nef s HIS 192 CO 0.00 -1.42 0.56 -2.39 -0.85 0.00 0.00 174.74 170.63 2nef n HIS 193 N -3.25 -1.76 0.13 1.40 1.44 -1.26 -4.77 115.22 107.15 2nef n HIS 193 Ca 0.08 -2.73 -0.24 0.00 -2.01 0.00 0.00 57.72 52.81 2nef n HIS 193 Cb 0.54 0.55 -0.16 0.00 0.12 0.00 0.00 29.99 31.04 2nef n HIS 193 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2nef h MET 194 N 4.79 0.50 -0.88 -1.40 2.86 -1.96 -3.24 114.93 115.60 2nef h MET 194 Ca 0.11 -0.84 0.24 0.00 -2.06 0.00 0.00 59.70 57.14 2nef h MET 194 Cb 0.96 0.31 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 2nef h MET 194 CO 0.32 1.40 0.61 0.00 1.06 0.00 0.00 176.91 180.30 2nef h ALA 195 N 0.14 2.60 0.10 6.32 0.00 -1.93 0.72 119.26 127.21 2nef h ALA 195 Ca -0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nef h ALA 195 Cb 2.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2nef h ALA 195 CO 0.25 -0.87 -0.05 -0.09 0.00 0.00 0.00 179.25 178.50 2nef h ARG 196 N 0.14 -0.13 0.00 0.00 2.43 -1.88 -2.61 114.38 112.33 2nef h ARG 196 Ca 0.43 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.61 2nef h ARG 196 Cb 1.49 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2nef h ARG 196 CO -0.07 0.38 -0.03 0.93 -1.51 0.00 0.00 179.97 179.67 2nef h GLU 197 N -0.77 0.00 0.02 0.20 4.39 -1.27 -2.66 114.58 114.49 2nef h GLU 197 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2nef h GLU 197 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2nef h GLU 197 CO 0.02 0.03 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.82 2nef h LEU 198 N 0.00 -0.03 -5.78 1.33 3.38 0.40 -3.43 115.31 111.18 2nef h LEU 198 Ca -0.00 -0.71 -0.41 0.00 0.09 0.00 0.00 57.88 56.86 2nef h LEU 198 Cb 0.58 0.01 -0.29 0.00 0.09 0.00 0.00 40.66 41.04 2nef h LEU 198 CO 0.00 0.73 -0.78 1.41 0.09 0.00 0.00 178.44 179.89 2nef n HIS 199 N -4.74 -2.14 0.53 1.13 8.25 -0.99 -4.97 115.22 112.29 2nef n HIS 199 Ca -0.09 -2.50 0.01 0.00 -0.26 0.00 0.00 57.72 54.88 2nef n HIS 199 Cb 0.36 0.77 0.10 0.00 1.12 0.00 0.00 29.99 32.33 2nef n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2nef n PRO 200 N 2.82 1.93 0.07 -0.41 -0.04 -1.01 -4.30 135.00 134.06 2nef n PRO 200 Ca 0.25 -0.78 0.09 0.00 -0.04 0.00 0.00 63.50 63.02 2nef n PRO 200 Cb 0.52 -1.67 0.55 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.94 0.26 0.00 0.54 4.22 -1.93 -3.31 114.58 115.30 2nef h GLU 201 Ca 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2nef h GLU 201 Cb 0.90 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2nef h GLU 201 CO 0.13 0.17 0.00 0.66 -2.18 0.00 0.00 179.01 177.79 2nef n TYR 202 N -4.48 0.00 -3.14 0.92 4.02 -1.26 -4.93 117.16 108.29 2nef n TYR 202 Ca 0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 2nef n TYR 202 Cb 0.21 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2nef n TYR 202 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2nef s PHE 203 N 0.00 3.45 0.00 -0.72 -0.12 -1.25 -4.97 117.98 114.37 2nef s PHE 203 Ca 0.00 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 2nef s PHE 203 Cb 0.00 -2.08 0.00 0.00 -0.63 0.00 0.00 43.02 40.31 2nef s PHE 203 CO 0.00 -0.07 0.00 1.17 -0.05 0.00 0.00 175.22 176.27 2nef n LYS 204 N -1.95 0.00 -1.87 1.99 4.81 -1.26 -4.60 118.16 115.27 2nef n LYS 204 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.12 2nef n LYS 204 Cb 0.56 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.68 2nef n LYS 204 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2nef s ASN 205 N -1.83 4.97 0.00 3.14 3.84 -1.26 -5.17 114.94 118.63 2nef s ASN 205 Ca 0.00 0.98 0.00 0.00 0.21 0.00 0.00 52.86 54.05 2nef s ASN 205 Cb 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 41.25 39.05 2nef s ASN 205 CO 0.00 -1.63 0.00 0.00 -2.79 0.00 0.00 177.10 172.68