#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 0.56 0.00 -0.00 -1.26 -4.63 117.44 112.12 2nef n TRP 57 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 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 1.28 -0.00 0.00 0.00 177.69 178.97 2nef n LEU 58 N 0.00 2.82 0.00 5.87 4.32 -1.26 -4.63 117.00 124.12 2nef n LEU 58 Ca 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 56.01 54.55 2nef n LEU 58 Cb 0.00 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 2nef n LEU 58 CO 0.00 0.46 0.00 -0.62 -1.22 0.00 0.00 177.39 176.01 2nef n GLU 59 N 0.14 0.00 -2.13 3.23 1.02 -1.26 -4.78 120.64 116.85 2nef n GLU 59 Ca 0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2nef n GLU 59 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.98 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nef s ALA 60 N -3.47 3.62 -1.23 0.62 0.00 -1.26 -4.87 121.76 115.17 2nef s ALA 60 Ca 0.00 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 52.73 2nef s ALA 60 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 2nef s ALA 60 CO 0.00 -1.21 2.48 1.04 0.00 0.00 0.00 175.76 178.06 2nef n GLN 61 N 6.49 2.79 0.00 0.00 1.13 -1.26 -4.85 117.38 121.68 2nef n GLN 61 Ca 0.15 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.42 2nef n GLN 61 Cb 0.43 -2.62 0.00 0.00 0.11 0.00 0.00 30.24 28.16 2nef n GLN 61 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2nef n GLU 62 N 3.99 2.93 0.01 -1.09 0.28 -1.26 -4.60 120.64 120.91 2nef n GLU 62 Ca 0.60 0.00 0.22 0.00 -0.16 0.00 0.00 57.16 57.82 2nef n GLU 62 Cb 0.18 0.00 0.64 0.00 1.43 0.00 0.00 31.44 33.69 2nef n GLU 62 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2nef h GLU 63 N 0.00 0.00 -4.60 3.44 5.08 -2.03 -3.14 114.58 113.34 2nef h GLU 63 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2nef h GLU 63 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2nef h GLU 63 CO 0.00 0.00 2.71 0.39 -1.00 0.00 0.00 179.01 181.11 2nef n GLU 64 N -3.48 2.72 -2.12 2.33 1.02 -1.26 -4.95 120.64 114.91 2nef n GLU 64 Ca 0.12 -2.68 -0.28 0.00 -0.02 0.00 0.00 57.16 54.30 2nef n GLU 64 Cb 0.92 -3.32 0.05 0.00 -0.02 0.00 0.00 31.44 29.07 2nef n GLU 64 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2nef s GLU 65 N 3.83 2.65 -0.52 3.49 -1.05 -1.19 -4.78 118.70 121.13 2nef s GLU 65 Ca 0.51 0.14 -0.07 0.00 -0.15 0.00 0.00 54.97 55.40 2nef s GLU 65 Cb 0.11 -2.12 -0.20 0.00 -0.44 0.00 0.00 34.13 31.48 2nef s GLU 65 CO -0.01 -1.03 3.38 0.28 0.95 0.00 0.00 175.26 178.83 2nef n VAL 66 N -2.89 3.44 0.00 1.83 0.31 -1.26 -4.86 118.33 114.91 2nef n VAL 66 Ca 0.06 -1.92 0.00 0.00 -0.01 0.00 0.00 64.34 62.47 2nef n VAL 66 Cb 0.58 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 2.74 0.59 3.86 2.92 0.00 -1.26 -4.66 105.19 109.38 2nef n GLY 67 Ca 0.54 0.62 -0.32 0.00 0.00 0.00 0.00 46.02 46.86 2nef n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nef s PHE 68 N 0.00 3.40 0.47 1.61 0.40 -1.26 -5.00 117.98 117.59 2nef s PHE 68 Ca 0.00 1.11 -0.15 0.00 -0.60 0.00 0.00 56.93 57.29 2nef s PHE 68 Cb 0.00 -2.45 -0.13 0.00 0.51 0.00 0.00 43.02 40.95 2nef s PHE 68 CO 0.00 0.11 -0.17 -2.30 0.70 0.00 0.00 175.22 173.56 2nef n PRO 69 N -0.44 0.00 -2.78 0.24 -0.02 -1.26 -4.84 135.00 125.91 2nef n PRO 69 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 2nef n PRO 69 Cb 0.53 -0.84 -0.03 0.00 -0.02 0.00 0.00 33.50 33.14 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 -1.68 4.80 -0.06 -1.45 1.01 -1.26 -4.97 120.40 116.79 2nef s VAL 70 Ca 0.46 1.83 -0.18 0.00 0.00 0.00 0.00 61.98 64.09 2nef s VAL 70 Cb -0.39 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 2nef s VAL 70 CO 0.57 -0.05 0.51 0.42 0.00 0.00 0.00 175.10 176.55 2nef s THR 71 N 2.49 5.07 0.00 3.92 -4.23 -1.25 -5.05 115.64 116.60 2nef s THR 71 Ca 0.42 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2nef s THR 71 Cb -0.16 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2nef s THR 71 CO 0.11 0.40 0.00 -0.81 -0.54 0.00 0.00 174.62 173.78 2nef n PRO 72 N 3.05 1.16 -1.51 3.99 -0.04 -1.26 -3.33 135.00 137.05 2nef n PRO 72 Ca -0.08 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.07 2nef n PRO 72 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.23 -3.33 0.54 6.02 -1.26 -4.66 117.38 114.92 2nef n GLN 73 Ca 0.00 -0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 56.60 2nef n GLN 73 Cb 0.00 -1.92 -0.03 0.00 1.02 0.00 0.00 30.24 29.31 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 7.48 5.02 -0.37 5.09 -7.23 -1.26 -4.95 120.40 124.18 2nef s VAL 74 Ca 1.24 0.04 -0.35 0.00 -1.81 0.00 0.00 61.98 61.10 2nef s VAL 74 Cb -0.83 -3.74 -0.15 0.00 0.56 0.00 0.00 36.38 32.22 2nef s VAL 74 CO 0.43 -0.34 1.30 -2.65 -0.31 0.00 0.00 175.10 173.54 2nef n PRO 75 N -0.98 0.00 -1.70 4.82 -0.02 -1.26 -4.69 135.00 131.17 2nef n PRO 75 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 2nef n PRO 75 Cb 0.54 -1.12 -0.04 0.00 -0.02 0.00 0.00 33.50 32.86 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 2.83 3.25 0.24 2.45 1.43 -1.26 -4.93 118.68 122.69 2nef s LEU 76 Ca 0.81 0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2nef s LEU 76 Cb -1.12 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 2nef s LEU 76 CO 0.58 -2.98 0.72 -0.13 0.23 0.00 0.00 176.35 174.77 2nef s ARG 77 N 8.06 4.18 0.44 1.70 0.52 -1.26 -5.00 118.95 127.58 2nef s ARG 77 Ca 0.88 0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 56.69 2nef s ARG 77 Cb -0.14 -2.79 -0.15 0.00 0.52 0.00 0.00 34.95 32.39 2nef s ARG 77 CO 0.19 0.35 0.03 -2.30 0.02 0.00 0.00 175.30 173.59 2nef n PRO 78 N 0.49 0.02 -1.88 3.54 -0.02 -1.26 -4.72 135.00 131.17 2nef n PRO 78 Ca -0.01 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2nef n PRO 78 Cb 0.52 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.95 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 -1.02 3.59 -0.56 -0.52 -2.45 -1.26 -4.92 119.30 112.16 2nef s MET 79 Ca 0.59 1.88 -0.23 0.00 -1.25 0.00 0.00 55.69 56.68 2nef s MET 79 Cb -0.59 -4.18 0.05 0.00 1.25 0.00 0.00 34.83 31.36 2nef s MET 79 CO 0.64 -1.56 0.89 0.95 1.05 0.00 0.00 175.02 176.98 2nef s THR 80 N 6.23 4.47 0.25 10.11 -4.23 -1.26 -4.88 115.64 126.33 2nef s THR 80 Ca 0.84 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 61.39 2nef s THR 80 Cb -0.30 -4.51 0.23 0.00 1.34 0.00 0.00 72.50 69.26 2nef s THR 80 CO 0.34 -1.10 1.79 0.10 -0.54 0.00 0.00 174.62 175.21 2nef h TYR 81 N 9.29 0.84 -0.92 3.99 -0.00 -2.01 0.81 116.97 128.97 2nef h TYR 81 Ca -0.27 0.03 0.14 0.00 0.00 0.00 0.00 58.73 58.63 2nef h TYR 81 Cb 1.08 -0.25 -0.08 0.00 0.00 0.00 0.00 36.73 37.48 2nef h TYR 81 CO 0.89 0.30 0.59 -0.22 -0.00 0.00 0.00 178.16 179.72 2nef h LYS 82 N 0.74 0.75 -0.03 0.10 1.63 -1.99 0.37 116.57 118.14 2nef h LYS 82 Ca 0.43 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.11 2nef h LYS 82 Cb 0.47 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2nef h LYS 82 CO -0.29 0.50 -0.31 0.00 -3.45 0.00 0.00 179.45 175.90 2nef h ALA 83 N 1.59 1.44 -0.41 5.00 0.00 0.24 -2.66 119.26 124.46 2nef h ALA 83 Ca 0.47 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2nef h ALA 83 Cb 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2nef h ALA 83 CO -0.23 0.41 0.22 0.00 0.00 0.00 0.00 179.25 179.65 2nef h ALA 84 N 1.64 0.52 -0.05 0.00 0.00 0.35 1.43 119.26 123.15 2nef h ALA 84 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nef h ALA 84 Cb 0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2nef h ALA 84 CO 0.04 -0.13 0.02 0.28 0.00 0.00 0.00 179.25 179.45 2nef h VAL 85 N 0.44 1.17 -0.60 0.00 2.07 -1.34 0.90 116.25 118.90 2nef h VAL 85 Ca 0.17 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2nef h VAL 85 Cb 0.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2nef h VAL 85 CO -0.11 0.14 0.35 0.44 0.02 0.00 0.00 177.57 178.41 2nef h ASP 86 N -0.12 0.72 -0.59 0.57 3.32 -1.13 -1.47 116.42 117.72 2nef h ASP 86 Ca 0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2nef h ASP 86 Cb 0.22 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2nef h ASP 86 CO -0.00 0.58 0.33 0.25 -1.72 0.00 0.00 179.24 178.68 2nef h LEU 87 N 0.80 0.74 -0.44 1.55 5.85 0.23 0.62 115.31 124.66 2nef h LEU 87 Ca 0.21 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.93 2nef h LEU 87 Cb -0.01 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2nef h LEU 87 CO -0.04 0.61 0.01 0.77 -0.34 0.00 0.00 178.44 179.45 2nef h SER 88 N 0.80 -0.15 0.42 1.25 4.64 0.17 -0.61 113.55 120.06 2nef h SER 88 Ca 0.21 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.46 2nef h SER 88 Cb 0.03 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2nef h SER 88 CO -0.04 -0.04 -0.73 0.45 -0.87 0.00 0.00 176.83 175.60 2nef h HIS 89 N 0.13 0.36 0.41 4.77 3.86 -0.77 -2.63 115.15 121.28 2nef h HIS 89 Ca 0.22 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2nef h HIS 89 Cb 0.32 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 2nef h HIS 89 CO -0.28 0.90 -0.36 0.35 0.86 0.00 0.00 177.93 179.41 2nef h PHE 90 N 0.18 -0.97 -0.01 2.45 3.57 0.15 -1.31 116.94 121.00 2nef h PHE 90 Ca -0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2nef h PHE 90 Cb 1.30 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 2nef h PHE 90 CO 0.03 -0.52 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.47 2nef h LEU 91 N -0.78 0.02 -1.32 0.59 3.38 -1.21 -1.62 115.31 114.37 2nef h LEU 91 Ca -0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2nef h LEU 91 Cb 0.68 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2nef h LEU 91 CO -0.03 0.08 -0.09 0.50 0.09 0.00 0.00 178.44 178.99 2nef h LYS 92 N 0.02 0.35 0.00 1.13 1.63 -0.88 -2.44 116.57 116.38 2nef h LYS 92 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2nef h LYS 92 Cb 0.12 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2nef h LYS 92 CO 0.01 0.46 0.00 0.39 -3.45 0.00 0.00 179.45 176.85 2nef n GLU 93 N -4.27 0.00 0.00 1.90 -0.58 -0.61 -4.73 120.64 112.34 2nef n GLU 93 Ca 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2nef n GLU 93 Cb 0.27 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 2nef n GLU 93 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nef n LYS 94 N -0.96 0.00 -1.01 3.49 5.02 -1.18 -4.90 118.16 118.62 2nef n LYS 94 Ca 0.00 0.40 -0.36 0.00 -2.02 0.00 0.00 58.31 56.33 2nef n LYS 94 Cb 0.00 -0.90 0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 2.10 -3.40 2.67 0.72 0.00 -0.92 -4.93 105.19 101.44 2nef n GLY 95 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 2.62 4.91 0.08 -0.02 0.00 -1.25 -4.30 105.19 107.23 2nef n GLY 96 Ca 0.03 -2.42 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 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 3.02 0.23 -9.55 0.99 5.85 -1.92 -3.41 115.31 110.53 2nef h LEU 97 Ca 0.12 -0.24 -0.59 0.00 0.84 0.00 0.00 57.88 58.01 2nef h LEU 97 Cb 0.66 -0.07 0.13 0.00 0.37 0.00 0.00 40.66 41.75 2nef h LEU 97 CO 0.71 1.19 0.01 1.21 -0.34 0.00 0.00 178.44 181.22 2nef n GLU 98 N -3.44 1.11 -0.52 1.25 2.13 -1.26 0.03 120.64 119.93 2nef n GLU 98 Ca -0.05 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2nef n GLU 98 Cb 0.99 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 1.35 0.00 3.63 8.31 0.00 0.93 -4.86 105.19 114.55 2nef n GLY 99 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.89 -0.36 0.99 2.96 0.10 -4.73 118.68 121.53 2nef s LEU 100 Ca 0.00 1.31 -0.27 0.00 -0.22 0.00 0.00 54.13 54.94 2nef s LEU 100 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2nef s LEU 100 CO 0.00 -1.12 2.11 -0.63 -1.32 0.00 0.00 176.35 175.39 2nef s ILE 101 N 4.57 3.17 -0.60 6.68 -1.09 -1.26 -2.40 121.20 130.26 2nef s ILE 101 Ca 0.60 0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 58.91 2nef s ILE 101 Cb -0.19 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2nef s ILE 101 CO 0.24 -0.22 1.97 -2.28 -1.23 0.00 0.00 174.94 173.42 2nef s HIS 102 N 8.99 1.55 0.00 3.97 5.65 0.89 -4.86 115.29 131.49 2nef s HIS 102 Ca 0.90 0.93 0.00 0.00 0.25 0.00 0.00 55.06 57.15 2nef s HIS 102 Cb -0.24 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.17 2nef s HIS 102 CO 0.31 -2.32 0.64 0.45 -0.65 0.00 0.00 174.74 173.17 2nef n SER 103 N 13.43 0.00 0.03 9.88 2.88 -1.26 -2.95 113.62 135.63 2nef n SER 103 Ca 0.24 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2nef n SER 103 Cb 0.52 -0.45 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 1.67 -1.23 0.00 0.00 175.04 175.48 2nef n GLN 104 N -1.84 0.00 0.19 -1.46 7.27 -1.26 -4.44 117.38 115.84 2nef n GLN 104 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.16 2nef n GLN 104 Cb 0.00 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.77 2nef n GLN 104 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2nef h ARG 105 N 0.00 0.00 -0.23 3.69 0.11 -2.00 -3.18 114.38 112.77 2nef h ARG 105 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 2nef h ARG 105 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2nef h ARG 105 CO 0.00 0.14 0.27 0.00 0.10 0.00 0.00 179.97 180.48 2nef h ARG 106 N 0.00 0.00 -0.03 0.08 3.08 -1.94 -0.77 114.38 114.80 2nef h ARG 106 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 106 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2nef h ARG 106 CO 0.02 0.00 0.01 0.37 -1.07 0.00 0.00 179.97 179.30 2nef h GLN 107 N 0.00 0.05 -0.70 0.04 4.15 -1.95 -2.01 115.11 114.69 2nef h GLN 107 Ca 0.11 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.54 2nef h GLN 107 Cb 0.64 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 2nef h GLN 107 CO -0.00 0.16 0.46 -0.44 -1.93 0.00 0.00 178.83 177.07 2nef h ASP 108 N -0.08 0.77 -0.90 -0.69 3.32 -1.36 -1.78 116.42 115.71 2nef h ASP 108 Ca 0.01 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2nef h ASP 108 Cb 0.13 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 2nef h ASP 108 CO -0.00 0.55 0.58 0.40 -1.72 0.00 0.00 179.24 179.05 2nef h ILE 109 N 0.92 1.04 0.11 0.35 2.04 -1.26 0.38 117.51 121.09 2nef h ILE 109 Ca 0.27 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2nef h ILE 109 Cb -0.06 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 2nef h ILE 109 CO -0.07 0.18 -0.05 0.25 0.00 0.00 0.00 178.15 178.45 2nef h LEU 110 N 0.99 -0.12 -1.29 1.44 5.85 -0.58 0.17 115.31 121.76 2nef h LEU 110 Ca 0.40 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.29 2nef h LEU 110 Cb 0.25 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2nef h LEU 110 CO -0.15 -0.08 0.59 0.44 -0.34 0.00 0.00 178.44 178.90 2nef h ASP 111 N -0.16 0.61 0.30 1.25 3.32 -1.38 -1.62 116.42 118.73 2nef h ASP 111 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2nef h ASP 111 Cb 0.11 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2nef h ASP 111 CO 0.02 0.27 -0.14 0.25 -1.72 0.00 0.00 179.24 177.92 2nef h LEU 112 N 0.62 -0.34 -0.81 1.55 5.85 -0.13 -2.08 115.31 119.98 2nef h LEU 112 Ca 0.49 -0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.27 2nef h LEU 112 Cb 0.90 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 2nef h LEU 112 CO -0.23 -0.09 0.32 -0.25 -0.34 0.00 0.00 178.44 177.84 2nef h TRP 113 N -0.58 0.54 -0.05 1.25 7.01 0.28 0.76 115.95 125.15 2nef h TRP 113 Ca -0.04 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2nef h TRP 113 Cb 0.42 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2nef h TRP 113 CO -0.01 0.01 -0.01 0.82 -2.79 0.00 0.00 178.44 176.46 2nef h ILE 114 N 0.42 1.04 0.70 2.65 2.04 -1.11 -2.96 117.51 120.29 2nef h ILE 114 Ca 0.47 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 66.12 2nef h ILE 114 Cb 0.79 1.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2nef h ILE 114 CO -0.46 0.06 -0.34 0.22 0.00 0.00 0.00 178.15 177.63 2nef h TYR 115 N 0.07 -0.87 0.00 1.37 3.20 0.12 -2.59 116.97 118.28 2nef h TYR 115 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2nef h TYR 115 Cb 0.07 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2nef h TYR 115 CO 0.00 -0.51 0.00 0.72 -1.64 0.00 0.00 178.16 176.73 2nef n HIS 116 N -5.42 0.00 0.00 -3.82 8.25 -1.04 -2.24 115.22 110.95 2nef n HIS 116 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2nef n HIS 116 Cb 0.39 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 0.14 0.00 0.83 1.59 -2.24 -1.00 -3.79 114.28 109.80 2nef n THR 117 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.04 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.00 0.12 -2.42 -0.78 0.00 -1.16 -4.62 117.38 108.53 2nef n GLN 118 Ca 0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 57.00 57.02 2nef n GLN 118 Cb 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 28.62 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 1.41 0.24 3.71 1.69 0.00 -0.95 -4.62 105.19 106.68 2nef n GLY 119 Ca 0.06 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.64 3.45 0.25 1.61 2.02 -1.25 -4.64 117.35 116.15 2nef s TYR 120 Ca 0.08 1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 57.82 2nef s TYR 120 Cb -0.03 -3.39 -0.09 0.00 -0.40 0.00 0.00 41.96 38.05 2nef s TYR 120 CO 0.09 -1.15 1.04 -0.59 -1.57 0.00 0.00 175.55 173.37 2nef s PHE 121 N 1.11 3.74 -0.62 2.71 -0.12 -1.26 -4.58 117.98 118.95 2nef s PHE 121 Ca 0.58 1.78 -0.28 0.00 -0.05 0.00 0.00 56.93 58.96 2nef s PHE 121 Cb -0.28 -3.17 0.02 0.00 -0.63 0.00 0.00 43.02 38.96 2nef s PHE 121 CO 0.29 -0.16 1.33 -1.25 -0.05 0.00 0.00 175.22 175.37 2nef s PRO 122 N -1.22 3.31 0.00 1.99 0.04 -1.26 -4.63 135.00 133.22 2nef s PRO 122 Ca 0.44 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.70 2nef s PRO 122 Cb -0.29 -4.12 0.02 0.00 0.04 0.00 0.00 34.50 30.15 2nef s PRO 122 CO 0.37 -1.95 0.70 -0.40 0.04 0.00 0.00 177.00 175.76 2nef n ASP 123 N 9.32 -0.13 0.00 6.66 5.75 -1.26 -4.89 116.55 132.00 2nef n ASP 123 Ca 0.09 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 2nef n ASP 123 Cb 0.49 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.02 0.00 -2.44 2.11 4.27 -1.26 -4.97 117.44 115.18 2nef n TRP 124 Ca -0.05 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.15 2nef n TRP 124 Cb 0.60 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.52 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 -1.66 3.35 -0.42 -2.67 0.74 -1.26 -4.46 119.66 113.28 2nef s GLN 125 Ca 0.00 0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.86 2nef s GLN 125 Cb 0.00 -4.10 0.17 0.00 1.10 0.00 0.00 33.01 30.18 2nef s GLN 125 CO 0.00 -1.89 0.54 -0.80 -0.55 0.00 0.00 175.29 172.59 2nef s ASN 126 N 4.08 -0.35 1.24 6.67 0.01 -1.26 -5.09 114.94 120.25 2nef s ASN 126 Ca 0.50 -1.50 -0.20 0.00 -0.71 0.00 0.00 52.86 50.95 2nef s ASN 126 Cb -0.10 1.26 0.30 0.00 0.41 0.00 0.00 41.25 43.12 2nef s ASN 126 CO 0.25 -0.17 1.08 -0.31 -1.51 0.00 0.00 177.10 176.44 2nef s TYR 127 N 1.30 0.25 0.58 2.20 1.51 -1.26 -2.87 117.35 119.06 2nef s TYR 127 Ca 0.21 0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 56.57 2nef s TYR 127 Cb -0.06 -3.38 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 2nef s TYR 127 CO -0.06 -4.09 1.17 0.95 -1.11 0.00 0.00 175.55 172.42 2nef s THR 128 N -2.90 2.85 -0.24 -0.71 -4.23 -0.92 -4.75 115.64 104.74 2nef s THR 128 Ca 0.71 0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 61.45 2nef s THR 128 Cb -0.10 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.56 2nef s THR 128 CO 0.56 -0.12 1.04 -2.16 -0.54 0.00 0.00 174.62 173.40 2nef s PRO 129 N -3.36 4.24 0.00 3.99 0.04 -1.26 -4.89 135.00 133.76 2nef s PRO 129 Ca 0.75 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2nef s PRO 129 Cb -0.27 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2nef s PRO 129 CO 0.31 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2nef n GLY 130 N 3.38 4.40 0.00 0.56 0.00 -1.26 -5.14 105.19 107.12 2nef n GLY 130 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.98 1.59 0.00 1.61 -0.04 -1.26 -4.91 135.00 130.01 2nef n PRO 131 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2nef n PRO 131 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 4.05 0.94 3.16 0.55 0.00 -1.26 -4.70 105.19 107.94 2nef n GLY 132 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.75 119.36 109.59 2nef n ILE 133 Ca 0.00 -0.18 0.04 0.00 -0.00 0.00 0.00 62.75 62.61 2nef n ILE 133 Cb 0.00 -0.54 -0.01 0.00 -0.00 0.00 0.00 39.64 39.09 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 -3.43 0.43 0.36 0.38 0.52 -1.15 -4.96 118.95 111.11 2nef s ARG 134 Ca 0.48 0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 56.23 2nef s ARG 134 Cb -0.08 0.36 -0.08 0.00 0.52 0.00 0.00 34.95 35.67 2nef s ARG 134 CO 0.54 -0.57 0.76 0.71 0.02 0.00 0.00 175.30 176.76 2nef s TYR 135 N 2.89 3.42 -0.20 -0.53 1.51 -1.26 -2.62 117.35 120.55 2nef s TYR 135 Ca 0.14 1.15 -0.29 0.00 -1.01 0.00 0.00 57.07 57.06 2nef s TYR 135 Cb -0.12 -2.50 0.00 0.00 -0.11 0.00 0.00 41.96 39.23 2nef s TYR 135 CO -0.20 -0.01 1.03 -1.25 -1.11 0.00 0.00 175.55 174.02 2nef s PRO 136 N -3.39 4.30 0.48 -1.71 0.04 -1.26 -2.17 135.00 131.29 2nef s PRO 136 Ca 0.53 1.37 0.16 0.00 0.04 0.00 0.00 61.00 63.11 2nef s PRO 136 Cb -0.10 -3.62 1.14 0.00 0.04 0.00 0.00 34.50 31.96 2nef s PRO 136 CO 0.24 -0.55 2.05 -0.07 0.04 0.00 0.00 177.00 178.70 2nef h LEU 137 N 9.10 0.00-10.22 -3.56 3.38 -1.82 -3.43 115.31 108.76 2nef h LEU 137 Ca -0.22 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.33 2nef h LEU 137 Cb 1.08 0.00 0.20 0.00 0.09 0.00 0.00 40.66 42.03 2nef h LEU 137 CO 0.95 0.13 0.04 -0.89 0.09 0.00 0.00 178.44 178.76 2nef s THR 138 N -4.70 1.69 0.00 0.22 2.01 -1.26 -5.00 115.64 108.60 2nef s THR 138 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2nef s THR 138 Cb 0.16 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2nef s THR 138 CO 0.68 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.94 2nef n PHE 139 N -4.94 0.00 -0.40 4.92 7.35 -1.26 -4.62 117.46 118.50 2nef n PHE 139 Ca 0.08 0.00 0.37 0.00 -0.76 0.00 0.00 57.45 57.14 2nef n PHE 139 Cb 0.58 0.00 0.56 0.00 0.35 0.00 0.00 39.48 40.97 2nef n PHE 139 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nef n GLY 140 N 3.01 -0.81 3.55 7.13 0.00 -1.26 -3.86 105.19 112.95 2nef n GLY 140 Ca 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.49 1.93 -0.20 1.61 -0.00 -1.26 -3.81 118.94 112.73 2nef s TRP 141 Ca -0.03 0.37 -0.01 0.00 -0.00 0.00 0.00 56.10 56.42 2nef s TRP 141 Cb 0.18 -4.24 0.08 0.00 -0.00 0.00 0.00 33.47 29.49 2nef s TRP 141 CO 0.61 -2.03 2.24 0.00 -0.00 0.00 0.00 176.95 177.77 2nef s TYR 143 N -0.94 2.91 -0.13 0.00 2.02 -1.26 -1.34 117.35 118.61 2nef s TYR 143 Ca 0.27 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2nef s TYR 143 Cb 0.18 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.88 2nef s TYR 143 CO -0.02 -0.10 -0.09 0.15 -1.57 0.00 0.00 175.55 173.92 2nef s LYS 144 N 0.28 1.67 0.46 -0.62 1.02 -0.77 -4.04 119.74 117.74 2nef s LYS 144 Ca -0.07 -0.34 -0.21 0.00 0.02 0.00 0.00 55.97 55.37 2nef s LYS 144 Cb -0.15 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2nef s LYS 144 CO 0.04 -0.28 1.03 -0.51 -0.92 0.00 0.00 175.35 174.72 2nef s LEU 145 N 1.66 3.93 -0.21 3.17 1.43 -1.08 -0.74 118.68 126.84 2nef s LEU 145 Ca 0.05 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 2nef s LEU 145 Cb -0.13 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.68 2nef s LEU 145 CO -0.09 -0.67 0.53 -0.69 0.23 0.00 0.00 176.35 175.66 2nef s VAL 146 N -1.92 -0.01 -0.16 -1.59 1.01 -1.08 -2.93 120.40 113.73 2nef s VAL 146 Ca 0.65 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 2nef s VAL 146 Cb -0.17 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2nef s VAL 146 CO 0.21 0.01 0.99 -2.16 0.00 0.00 0.00 175.10 174.15 2nef s PRO 147 N 0.80 4.35 -0.19 2.72 0.04 -1.26 -3.11 135.00 138.35 2nef s PRO 147 Ca -0.04 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2nef s PRO 147 Cb -0.05 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2nef s PRO 147 CO -0.06 -0.43 0.78 0.08 0.04 0.00 0.00 177.00 177.41 2nef s VAL 148 N 2.46 4.91 -0.43 -0.36 1.01 -1.26 -4.97 120.40 121.75 2nef s VAL 148 Ca 0.45 1.51 0.07 0.00 0.00 0.00 0.00 61.98 64.01 2nef s VAL 148 Cb -0.17 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.30 2nef s VAL 148 CO 0.13 0.03 0.59 -1.61 0.00 0.00 0.00 175.10 174.24 2nef s GLU 149 N 2.23 0.85 0.85 2.72 2.02 -1.26 -5.13 118.70 120.99 2nef s GLU 149 Ca 0.35 -0.66 -0.08 0.00 0.02 0.00 0.00 54.97 54.60 2nef s GLU 149 Cb -0.16 -0.16 0.17 0.00 0.10 0.00 0.00 34.13 34.08 2nef s GLU 149 CO 0.11 -1.24 1.17 -1.25 0.02 0.00 0.00 175.26 174.07 2nef s PRO 150 N 1.45 1.07 -0.83 0.39 0.04 -1.26 -4.90 135.00 130.95 2nef s PRO 150 Ca 0.20 -0.83 -0.26 0.00 0.04 0.00 0.00 61.00 60.16 2nef s PRO 150 Cb -0.05 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 2nef s PRO 150 CO -0.06 -1.99 2.31 -1.21 0.04 0.00 0.00 177.00 176.09 2nef s GLU 151 N -5.53 1.72 -0.69 4.56 0.41 -1.26 -4.78 118.70 113.13 2nef s GLU 151 Ca 0.71 0.28 -0.07 0.00 -0.41 0.00 0.00 54.97 55.49 2nef s GLU 151 Cb -0.04 -4.85 -0.10 0.00 -1.78 0.00 0.00 34.13 27.36 2nef s GLU 151 CO 0.49 -4.37 3.12 1.63 -0.49 0.00 0.00 175.26 175.64 2nef n LYS 152 N 8.77 2.87 -0.12 1.61 5.02 -1.26 -4.55 118.16 130.51 2nef n LYS 152 Ca 0.45 -1.92 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 2nef n LYS 152 Cb 0.44 -2.32 0.05 0.00 -0.02 0.00 0.00 35.03 33.18 2nef n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2nef n LEU 153 N 2.34 1.90 0.11 -0.35 7.94 -1.26 -3.80 117.00 123.88 2nef n LEU 153 Ca 0.56 -0.96 -0.03 0.00 -1.11 0.00 0.00 56.01 54.47 2nef n LEU 153 Cb 0.58 -0.53 0.04 0.00 0.53 0.00 0.00 43.42 44.04 2nef n LEU 153 CO 0.43 0.34 0.34 1.05 -1.11 0.00 0.00 177.39 178.44 2nef h GLU 154 N 0.44 0.00 -1.75 1.96 4.11 -2.00 -3.46 114.58 113.88 2nef h GLU 154 Ca 0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.47 2nef h GLU 154 Cb 0.78 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.80 2nef h GLU 154 CO 0.07 0.77 0.37 -2.00 0.07 0.00 0.00 179.01 178.29 2nef s GLU 155 N -3.15 0.72 0.00 1.06 2.56 -1.25 -5.01 118.70 113.63 2nef s GLU 155 Ca 0.00 0.45 0.23 0.00 0.00 0.00 0.00 54.97 55.65 2nef s GLU 155 Cb 0.11 0.34 1.09 0.00 2.00 0.00 0.00 34.13 37.67 2nef s GLU 155 CO 0.78 -0.17 1.75 0.00 -0.56 0.00 0.00 175.26 177.06 2nef n ALA 156 N 1.53 2.13 -3.01 6.30 0.00 -1.26 -4.49 120.51 121.71 2nef n ALA 156 Ca -0.13 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 2nef n ALA 156 Cb 0.57 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 2nef n ALA 156 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2nef s ASN 157 N -2.74 6.31 0.83 0.00 3.04 -1.26 -5.04 114.94 116.09 2nef s ASN 157 Ca 0.18 -1.51 -0.11 0.00 0.04 0.00 0.00 52.86 51.45 2nef s ASN 157 Cb 0.15 -2.35 0.09 0.00 -1.54 0.00 0.00 41.25 37.60 2nef s ASN 157 CO 0.38 -1.17 1.09 -0.54 -3.04 0.00 0.00 177.10 173.82 2nef s LYS 158 N 2.94 1.78 0.00 0.43 1.02 -1.26 -5.06 119.74 119.58 2nef s LYS 158 Ca 0.19 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2nef s LYS 158 Cb -0.17 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2nef s LYS 158 CO 0.03 -1.85 0.00 -0.40 -0.92 0.00 0.00 175.35 172.21 2nef n ASP 174 N -3.60 0.00 -4.84 2.83 5.75 -1.26 -5.02 116.55 110.41 2nef n ASP 174 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.53 2nef n ASP 174 Cb 0.56 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.59 2nef n ASP 174 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2nef s ASP 175 N -1.00 6.77 0.62 -1.12 1.11 -1.26 -5.03 116.67 116.76 2nef s ASP 175 Ca 0.00 1.43 -0.18 0.00 0.18 0.00 0.00 52.55 53.98 2nef s ASP 175 Cb 0.00 -2.44 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 2nef s ASP 175 CO 0.00 -0.34 1.20 -2.16 1.18 0.00 0.00 175.17 175.06 2nef s PRO 176 N -3.33 2.80 -1.38 8.23 0.04 -1.26 -4.88 135.00 135.21 2nef s PRO 176 Ca 0.57 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 2nef s PRO 176 Cb -0.10 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2nef s PRO 176 CO 0.20 -1.33 2.11 -0.85 0.04 0.00 0.00 177.00 177.16 2nef n GLU 177 N -1.87 2.82 0.00 4.56 0.00 -1.26 -4.90 120.64 119.99 2nef n GLU 177 Ca 0.13 -2.69 0.00 0.00 0.00 0.00 0.00 57.16 54.60 2nef n GLU 177 Cb 0.50 -3.32 0.00 0.00 0.00 0.00 0.00 31.44 28.62 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2nef n ARG 178 N 6.66 3.29 0.00 3.44 3.00 -1.26 -4.72 116.66 127.07 2nef n ARG 178 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 2nef n ARG 178 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2nef n GLU 179 N 0.00 0.68 -2.80 -0.14 4.71 -1.26 -4.63 120.64 117.19 2nef n GLU 179 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 2nef n GLU 179 Cb 0.00 -1.16 -0.02 0.00 -1.01 0.00 0.00 31.44 29.25 2nef n GLU 179 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2nef s VAL 180 N 0.32 4.53 0.29 2.62 1.01 -1.26 -4.72 120.40 123.18 2nef s VAL 180 Ca 0.00 -1.65 0.10 0.00 0.00 0.00 0.00 61.98 60.43 2nef s VAL 180 Cb 0.00 -4.92 -0.05 0.00 0.00 0.00 0.00 36.38 31.41 2nef s VAL 180 CO 0.00 -1.70 -0.05 -0.76 0.00 0.00 0.00 175.10 172.60 2nef s LEU 181 N 3.17 2.98 -0.03 3.92 1.43 -1.15 -4.76 118.68 124.23 2nef s LEU 181 Ca 0.41 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2nef s LEU 181 Cb -0.02 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2nef s LEU 181 CO -0.05 -0.06 -0.13 -1.83 0.23 0.00 0.00 176.35 174.50 2nef s GLU 182 N -3.65 2.48 -0.27 1.70 -1.05 -1.18 0.30 118.70 117.03 2nef s GLU 182 Ca 0.32 -0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 54.13 2nef s GLU 182 Cb -0.04 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.25 2nef s GLU 182 CO 0.19 0.61 1.54 -1.58 0.95 0.00 0.00 175.26 176.97 2nef s TRP 183 N -0.80 2.24 -0.54 4.83 0.51 -1.01 -2.62 118.94 121.56 2nef s TRP 183 Ca 0.13 0.64 -0.20 0.00 -2.12 0.00 0.00 56.10 54.55 2nef s TRP 183 Cb -0.11 -4.02 0.07 0.00 -0.81 0.00 0.00 33.47 28.60 2nef s TRP 183 CO 0.02 -2.54 0.68 0.50 -0.51 0.00 0.00 176.95 175.10 2nef s ARG 184 N 4.70 3.12 0.18 4.98 3.00 0.09 -0.05 118.95 134.96 2nef s ARG 184 Ca 0.68 -0.94 -0.31 0.00 -1.00 0.00 0.00 55.73 54.16 2nef s ARG 184 Cb -0.21 -4.14 -0.09 0.00 0.00 0.00 0.00 34.95 30.51 2nef s ARG 184 CO 0.29 -1.35 1.38 0.12 0.00 0.00 0.00 175.30 175.73 2nef s PHE 185 N 2.81 3.20 -0.45 5.12 5.36 -1.26 -1.84 117.98 130.91 2nef s PHE 185 Ca 0.16 1.06 0.07 0.00 -0.96 0.00 0.00 56.93 57.26 2nef s PHE 185 Cb -0.20 -3.69 0.27 0.00 -0.34 0.00 0.00 43.02 39.06 2nef s PHE 185 CO 0.11 -2.29 0.86 -3.47 -1.46 0.00 0.00 175.22 168.97 2nef n ASP 186 N 3.08 -1.90 0.00 6.13 -0.08 -0.45 -4.97 116.55 118.35 2nef n ASP 186 Ca 0.08 -3.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 2nef n ASP 186 Cb 0.42 1.20 0.00 0.00 2.34 0.00 0.00 41.12 45.08 2nef n ASP 186 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2nef n SER 187 N 1.19 0.00 0.25 1.67 2.88 -1.26 -1.65 113.62 116.70 2nef n SER 187 Ca 0.12 0.06 0.10 0.00 -1.33 0.00 0.00 58.87 57.82 2nef n SER 187 Cb 0.63 -0.06 0.67 0.00 -0.75 0.00 0.00 64.21 64.70 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2nef h ARG 188 N 0.00 0.00 0.00 -1.46 2.43 -1.94 -0.42 114.38 113.00 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 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2nef h ARG 188 CO 0.00 0.11 0.00 -0.11 -1.51 0.00 0.00 179.97 178.46 2nef n LEU 189 N -4.01 0.00 0.00 3.80 0.00 -0.66 -1.77 117.00 114.36 2nef n LEU 189 Ca -0.02 0.26 0.07 0.00 0.00 0.00 0.00 56.01 56.31 2nef n LEU 189 Cb 0.20 -0.26 0.39 0.00 0.00 0.00 0.00 43.42 43.75 2nef n LEU 189 CO 0.32 -0.22 0.64 0.00 0.00 0.00 0.00 177.39 178.14 2nef n ALA 190 N -1.26 2.25 0.01 1.96 0.00 -0.17 -4.26 120.51 119.04 2nef n ALA 190 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.81 -0.09 -0.74 0.00 3.72 -0.73 -5.04 117.46 113.77 2nef n PHE 191 Ca 0.10 0.02 -0.02 0.00 -0.05 0.00 0.00 57.45 57.49 2nef n PHE 191 Cb 0.05 0.42 0.02 0.00 -0.94 0.00 0.00 39.48 39.03 2nef n PHE 191 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2nef n HIS 192 N -2.54 -3.42 -3.23 1.38 8.25 -1.23 -5.07 115.22 109.36 2nef n HIS 192 Ca 0.00 -0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.34 2nef n HIS 192 Cb 0.00 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 2nef n HIS 192 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2nef s HIS 193 N -1.19 -1.42 -0.03 4.41 -3.43 -1.26 -4.74 115.29 107.62 2nef s HIS 193 Ca 0.06 0.28 -0.21 0.00 -0.80 0.00 0.00 55.06 54.39 2nef s HIS 193 Cb -0.00 0.13 -0.30 0.00 -1.43 0.00 0.00 32.58 30.97 2nef s HIS 193 CO 0.04 -1.10 0.95 0.52 -2.00 0.00 0.00 174.74 173.16 2nef h MET 194 N 7.41 0.34 -1.14 -0.38 2.86 -1.97 -3.27 114.93 118.78 2nef h MET 194 Ca 0.02 -0.52 0.32 0.00 -2.06 0.00 0.00 59.70 57.45 2nef h MET 194 Cb 1.15 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.92 2nef h MET 194 CO 0.15 1.23 0.77 0.00 1.06 0.00 0.00 176.91 180.12 2nef h ALA 195 N 0.14 2.63 -0.18 6.32 0.00 -1.96 0.61 119.26 126.83 2nef h ALA 195 Ca -0.13 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2nef h ALA 195 Cb 1.60 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2nef h ALA 195 CO 0.15 -1.05 -0.60 -0.09 0.00 0.00 0.00 179.25 177.67 2nef h ARG 196 N 0.21 0.59 0.00 0.00 2.43 -1.91 -2.75 114.38 112.95 2nef h ARG 196 Ca 0.62 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2nef h ARG 196 Cb 1.94 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 2nef h ARG 196 CO -0.21 1.01 0.00 1.49 -1.51 0.00 0.00 179.97 180.76 2nef h GLU 197 N 0.44 0.00 0.02 0.20 4.81 0.16 -3.21 114.58 116.99 2nef h GLU 197 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nef h GLU 197 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2nef h GLU 197 CO 0.11 0.00 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.32 2nef h LEU 198 N 0.00 -0.02 -6.31 1.64 3.38 -1.09 -3.46 115.31 109.46 2nef h LEU 198 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2nef h LEU 198 Cb 0.40 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.85 2nef h LEU 198 CO 0.00 0.03 -0.69 -1.00 0.09 0.00 0.00 178.44 176.86 2nef s HIS 199 N -1.41 -0.28 -0.23 1.13 3.76 -1.19 -5.11 115.29 111.97 2nef s HIS 199 Ca -0.00 -0.89 -0.30 0.00 -0.15 0.00 0.00 55.06 53.71 2nef s HIS 199 Cb 0.00 -0.40 -0.07 0.00 1.11 0.00 0.00 32.58 33.22 2nef s HIS 199 CO 0.01 -0.98 2.18 -2.30 -0.85 0.00 0.00 174.74 172.81 2nef n PRO 200 N 4.12 1.82 0.00 8.40 -0.02 -1.21 -4.92 135.00 143.19 2nef n PRO 200 Ca 0.12 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2nef n PRO 200 Cb 0.46 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 2nef n PRO 200 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 201 N 8.43 0.00 0.00 -0.52 -0.58 -1.26 -4.78 120.64 121.93 2nef n GLU 201 Ca 0.32 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 57.09 2nef n GLU 201 Cb 0.38 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.47 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2nef n TYR 202 N 0.00 0.00 -3.17 -0.32 4.01 -1.26 -4.70 117.16 111.72 2nef n TYR 202 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2nef n TYR 202 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2nef n TYR 202 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2nef s PHE 203 N -2.00 3.15 0.00 -0.72 0.08 -1.26 -5.01 117.98 112.22 2nef s PHE 203 Ca 0.11 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2nef s PHE 203 Cb 0.05 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 2nef s PHE 203 CO 0.08 -0.63 0.00 1.63 -0.10 0.00 0.00 175.22 176.21 2nef n LYS 204 N 5.94 1.29 -1.65 0.44 5.02 -1.26 -4.93 118.16 123.01 2nef n LYS 204 Ca -0.03 0.00 -0.55 0.00 -2.02 0.00 0.00 58.31 55.71 2nef n LYS 204 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.43 2nef n LYS 204 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2nef n ASN 205 N 0.00 2.03 -0.08 4.39 3.02 -1.26 -5.20 115.26 118.16 2nef n ASN 205 Ca 0.00 1.10 0.16 0.00 -0.03 0.00 0.00 54.58 55.80 2nef n ASN 205 Cb 0.00 -1.16 0.88 0.00 -0.61 0.00 0.00 39.78 38.89 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64