#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 0.90 0.00 0.00 7.01 -2.05 -2.91 115.95 118.90 2nef h TRP 57 Ca 0.00 -0.37 0.00 0.00 2.11 0.00 0.00 58.89 60.63 2nef h TRP 57 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2nef h TRP 57 CO 0.00 1.17 0.00 1.28 -2.79 0.00 0.00 178.44 178.10 2nef n LEU 58 N -4.11 0.00 -4.19 0.65 4.77 -1.26 -4.46 117.00 108.40 2nef n LEU 58 Ca -0.07 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 2nef n LEU 58 Cb 0.64 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2nef n LEU 58 CO 0.49 -0.01 2.09 1.21 -1.33 0.00 0.00 177.39 179.83 2nef n GLU 59 N -1.20 2.45 -2.29 3.23 2.13 -1.10 -4.92 120.64 118.94 2nef n GLU 59 Ca 0.16 -2.67 -0.43 0.00 0.66 0.00 0.00 57.16 54.89 2nef n GLU 59 Cb 0.19 -3.39 -0.02 0.00 0.27 0.00 0.00 31.44 28.49 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef s ALA 60 N 5.59 3.48 0.42 4.31 0.00 -1.26 -4.73 121.76 129.56 2nef s ALA 60 Ca 0.56 0.43 0.15 0.00 0.00 0.00 0.00 51.96 53.10 2nef s ALA 60 Cb 0.08 -3.74 1.03 0.00 0.00 0.00 0.00 23.12 20.49 2nef s ALA 60 CO 0.06 -1.57 1.92 1.96 0.00 0.00 0.00 175.76 178.13 2nef h GLN 61 N 9.33 0.42 -4.87 0.00 7.50 -1.97 -3.27 115.11 122.26 2nef h GLN 61 Ca -0.30 -0.03 -0.51 0.00 0.50 0.00 0.00 58.65 58.31 2nef h GLN 61 Cb 1.12 -0.10 0.05 0.00 0.05 0.00 0.00 27.48 28.61 2nef h GLN 61 CO 0.99 0.28 1.61 -1.91 -1.50 0.00 0.00 178.83 178.31 2nef n GLU 62 N -4.48 1.05 0.00 1.46 2.13 -1.26 -4.58 120.64 114.96 2nef n GLU 62 Ca 0.14 -1.77 0.06 0.00 0.66 0.00 0.00 57.16 56.25 2nef n GLU 62 Cb 0.52 -3.09 0.37 0.00 0.27 0.00 0.00 31.44 29.50 2nef n GLU 62 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2nef n GLU 63 N 7.61 1.00 -0.19 5.31 1.02 -1.24 -3.96 120.64 130.19 2nef n GLU 63 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2nef n GLU 63 Cb 0.43 -1.19 0.09 0.00 -0.02 0.00 0.00 31.44 30.75 2nef n GLU 63 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2nef h GLU 64 N 0.00 0.14 -0.02 3.49 4.81 -1.92 0.52 114.58 121.60 2nef h GLU 64 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2nef h GLU 64 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2nef h GLU 64 CO 0.00 0.09 -0.04 0.93 -0.73 0.00 0.00 179.01 179.26 2nef h GLU 65 N 0.14 0.06 -1.62 1.92 5.08 -1.99 -3.12 114.58 115.06 2nef h GLU 65 Ca 0.31 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 2nef h GLU 65 Cb 0.48 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2nef h GLU 65 CO -0.48 0.64 0.23 0.28 -1.00 0.00 0.00 179.01 178.68 2nef n VAL 66 N -4.75 2.33 0.24 3.13 0.31 -0.78 -4.29 118.33 114.53 2nef n VAL 66 Ca -0.09 -1.08 0.13 0.00 -0.01 0.00 0.00 64.34 63.30 2nef n VAL 66 Cb 0.32 -1.33 0.45 0.00 -0.91 0.00 0.00 33.84 32.37 2nef n VAL 66 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2nef h GLY 67 N 2.79 0.00 -3.03 2.92 0.00 0.08 -3.44 103.07 102.39 2nef h GLY 67 Ca 0.17 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.99 2nef h GLY 67 CO 0.42 0.00 0.03 -1.36 0.00 0.00 0.00 176.54 175.63 2nef s PHE 68 N -3.48 3.41 0.33 5.60 0.40 -1.26 -5.04 117.98 117.93 2nef s PHE 68 Ca 0.03 1.06 -0.28 0.00 -0.60 0.00 0.00 56.93 57.14 2nef s PHE 68 Cb 0.08 -2.42 -0.10 0.00 0.51 0.00 0.00 43.02 41.09 2nef s PHE 68 CO 0.61 0.11 1.26 -1.25 0.70 0.00 0.00 175.22 176.66 2nef s PRO 69 N -3.11 4.37 0.21 0.24 0.04 -1.26 -5.00 135.00 130.49 2nef s PRO 69 Ca 0.51 2.12 -0.28 0.00 0.04 0.00 0.00 61.00 63.39 2nef s PRO 69 Cb -0.10 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2nef s PRO 69 CO 0.21 -0.14 0.88 0.54 0.04 0.00 0.00 177.00 178.53 2nef s VAL 70 N -1.17 4.18 0.29 -0.36 0.11 -1.26 -5.05 120.40 117.15 2nef s VAL 70 Ca 0.49 1.96 -0.08 0.00 -2.93 0.00 0.00 61.98 61.41 2nef s VAL 70 Cb -0.38 -4.26 -0.06 0.00 -1.53 0.00 0.00 36.38 30.14 2nef s VAL 70 CO 0.50 0.51 0.60 0.28 -3.33 0.00 0.00 175.10 173.66 2nef s THR 71 N -1.16 4.93 0.00 5.04 -1.32 -1.26 -5.06 115.64 116.81 2nef s THR 71 Ca 0.39 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 2nef s THR 71 Cb -0.25 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 2nef s THR 71 CO 0.30 -0.26 0.00 -0.81 -2.21 0.00 0.00 174.62 171.64 2nef n PRO 72 N -0.69 1.06 -1.16 7.08 -0.04 -1.26 -4.21 135.00 135.78 2nef n PRO 72 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2nef n PRO 72 Cb 0.53 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 -2.83 0.54 6.02 -1.26 -4.74 117.38 115.11 2nef n GLN 73 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2nef n GLN 73 Cb 0.00 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 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 5.64 4.78 -0.25 5.09 -7.23 -1.26 -4.93 120.40 122.23 2nef s VAL 74 Ca 1.04 0.64 -0.33 0.00 -1.81 0.00 0.00 61.98 61.52 2nef s VAL 74 Cb -0.91 -3.73 -0.15 0.00 0.56 0.00 0.00 36.38 32.15 2nef s VAL 74 CO 0.39 -0.53 1.05 -2.65 -0.31 0.00 0.00 175.10 173.05 2nef n PRO 75 N -1.32 0.00 -1.61 4.82 -0.02 -1.26 -4.66 135.00 130.95 2nef n PRO 75 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 2nef n PRO 75 Cb 0.54 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.50 3.28 0.49 2.45 1.43 -1.26 -4.93 118.68 121.63 2nef s LEU 76 Ca 0.74 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.47 2nef s LEU 76 Cb -1.05 -2.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2nef s LEU 76 CO 0.54 -3.06 0.91 -0.13 0.23 0.00 0.00 176.35 174.84 2nef s ARG 77 N 8.28 3.82 -0.19 1.70 0.52 -1.26 -4.99 118.95 126.83 2nef s ARG 77 Ca 0.93 0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 56.56 2nef s ARG 77 Cb -0.15 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 2nef s ARG 77 CO 0.21 -0.23 1.44 -1.25 0.02 0.00 0.00 175.30 175.49 2nef s PRO 78 N -4.19 4.04 0.03 3.54 0.04 -1.26 -4.90 135.00 132.30 2nef s PRO 78 Ca 0.55 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 2nef s PRO 78 Cb -0.10 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.46 2nef s PRO 78 CO 0.35 -0.98 1.59 1.41 0.04 0.00 0.00 177.00 179.41 2nef s MET 79 N 4.05 4.22 0.11 4.56 1.75 -1.26 -4.99 119.30 127.74 2nef s MET 79 Ca 0.63 2.21 -0.12 0.00 -1.25 0.00 0.00 55.69 57.17 2nef s MET 79 Cb -0.24 -3.65 -0.06 0.00 2.84 0.00 0.00 34.83 33.72 2nef s MET 79 CO 0.23 -0.71 0.46 0.95 -0.65 0.00 0.00 175.02 175.31 2nef s THR 80 N 2.79 4.99 0.27 10.11 -4.23 -1.26 -4.91 115.64 123.40 2nef s THR 80 Ca 0.71 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.83 2nef s THR 80 Cb -0.37 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.06 2nef s THR 80 CO 0.30 0.26 1.80 0.22 -0.54 0.00 0.00 174.62 176.66 2nef h TYR 81 N 3.62 0.99 0.00 3.99 3.20 -1.95 2.59 116.97 129.41 2nef h TYR 81 Ca -0.49 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 2nef h TYR 81 Cb 1.19 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2nef h TYR 81 CO 0.66 0.33 -0.01 -0.22 -1.64 0.00 0.00 178.16 177.28 2nef h LYS 82 N 0.82 0.00 -0.77 1.82 3.64 -1.97 -0.81 116.57 119.30 2nef h LYS 82 Ca 0.49 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.84 2nef h LYS 82 Cb 0.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2nef h LYS 82 CO -0.31 0.01 0.38 0.00 -2.27 0.00 0.00 179.45 177.26 2nef h ALA 83 N 1.99 1.21 0.20 5.00 0.00 0.42 0.85 119.26 128.94 2nef h ALA 83 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2nef h ALA 83 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2nef h ALA 83 CO 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2nef h ALA 84 N 1.32 -0.27 -0.33 0.00 0.00 -0.78 0.19 119.26 119.39 2nef h ALA 84 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2nef h ALA 84 Cb 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2nef h ALA 84 CO -0.04 -0.54 0.14 0.28 0.00 0.00 0.00 179.25 179.09 2nef h VAL 85 N -0.50 1.18 -0.83 0.00 2.07 -1.39 0.17 116.25 116.95 2nef h VAL 85 Ca -0.03 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2nef h VAL 85 Cb 0.37 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2nef h VAL 85 CO 0.05 0.19 0.55 0.44 0.02 0.00 0.00 177.57 178.82 2nef h ASP 86 N 0.39 0.95 -0.74 0.57 5.19 -0.80 -1.52 116.42 120.46 2nef h ASP 86 Ca 0.11 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2nef h ASP 86 Cb 0.18 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2nef h ASP 86 CO -0.01 0.69 0.35 0.25 -3.12 0.00 0.00 179.24 177.40 2nef h LEU 87 N 1.12 0.97 -0.19 1.55 5.85 -0.07 -0.12 115.31 124.42 2nef h LEU 87 Ca 0.31 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2nef h LEU 87 Cb -0.12 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.59 2nef h LEU 87 CO -0.07 0.84 -0.54 0.77 -0.34 0.00 0.00 178.44 179.10 2nef h SER 88 N 1.04 -1.72 0.91 1.25 4.64 0.39 -0.43 113.55 119.63 2nef h SER 88 Ca 0.25 0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.72 2nef h SER 88 Cb 0.13 0.68 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 2nef h SER 88 CO -0.03 -0.47 -0.30 0.45 -0.87 0.00 0.00 176.83 175.61 2nef h HIS 89 N -0.54 0.00 0.52 4.77 3.86 -1.41 -2.90 115.15 119.45 2nef h HIS 89 Ca 0.05 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2nef h HIS 89 Cb 0.66 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2nef h HIS 89 CO -0.61 0.30 -0.35 0.35 0.86 0.00 0.00 177.93 178.48 2nef h PHE 90 N 0.00 -0.94 -0.01 2.45 3.57 0.64 -0.80 116.94 121.84 2nef h PHE 90 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2nef h PHE 90 Cb 0.84 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2nef h PHE 90 CO 0.00 -0.51 0.01 -0.07 -2.23 0.00 0.00 178.31 175.51 2nef h LEU 91 N -0.82 0.00 -0.01 0.59 3.38 -1.42 -1.52 115.31 115.50 2nef h LEU 91 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2nef h LEU 91 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2nef h LEU 91 CO 0.05 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.08 2nef h LYS 92 N 0.00 0.02 -0.20 1.13 3.64 -1.12 0.27 116.57 120.32 2nef h LYS 92 Ca 0.01 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2nef h LYS 92 Cb 0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2nef h LYS 92 CO -0.00 0.22 -0.41 0.93 -2.27 0.00 0.00 179.45 177.91 2nef h GLU 93 N -0.18 0.47 0.00 1.90 5.08 -0.56 -3.36 114.58 117.93 2nef h GLU 93 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2nef h GLU 93 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2nef h GLU 93 CO -0.00 0.81 0.00 1.63 -1.00 0.00 0.00 179.01 180.45 2nef n LYS 94 N -4.02 0.00 -3.64 2.33 4.01 -0.63 -4.94 118.16 111.26 2nef n LYS 94 Ca -0.02 0.36 -0.20 0.00 -0.51 0.00 0.00 58.31 57.94 2nef n LYS 94 Cb 0.51 -0.94 -0.03 0.00 -0.51 0.00 0.00 35.03 34.07 2nef n LYS 94 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2nef s GLY 95 N -1.56 1.82 -1.04 0.72 0.00 0.95 -5.05 107.32 103.16 2nef s GLY 95 Ca 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 2nef s GLY 95 CO 0.00 -1.55 1.01 -0.32 0.00 0.00 0.00 173.10 172.23 2nef s GLY 96 N -4.08 3.13 0.13 0.20 0.00 -1.26 -3.91 107.32 101.54 2nef s GLY 96 Ca 0.44 -3.77 0.01 0.00 0.00 0.00 0.00 44.72 41.40 2nef s GLY 96 CO 0.28 1.29 1.30 -2.00 0.00 0.00 0.00 173.10 173.98 2nef h LEU 97 N 6.70 0.27 -9.48 0.66 5.85 -1.88 -3.40 115.31 114.03 2nef h LEU 97 Ca 0.16 -0.24 -0.60 0.00 0.84 0.00 0.00 57.88 58.04 2nef h LEU 97 Cb 0.89 -0.08 0.13 0.00 0.37 0.00 0.00 40.66 41.96 2nef h LEU 97 CO 0.95 1.10 -0.04 1.21 -0.34 0.00 0.00 178.44 181.32 2nef n GLU 98 N -3.58 1.05 -0.46 1.25 2.13 -1.26 0.12 120.64 119.89 2nef n GLU 98 Ca -0.04 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2nef n GLU 98 Cb 0.88 -1.79 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 1.41 0.00 3.64 8.31 0.00 0.11 -4.86 105.19 113.79 2nef n GLY 99 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.94 -0.22 0.99 2.96 0.12 -4.68 118.68 121.79 2nef s LEU 100 Ca 0.00 1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 2nef s LEU 100 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2nef s LEU 100 CO 0.00 -1.04 1.86 -0.63 -1.32 0.00 0.00 176.35 175.22 2nef s ILE 101 N 4.31 3.38 -0.54 6.68 -1.09 -1.26 -2.32 121.20 130.35 2nef s ILE 101 Ca 0.58 0.42 -0.27 0.00 -2.23 0.00 0.00 60.65 59.14 2nef s ILE 101 Cb -0.19 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2nef s ILE 101 CO 0.22 -0.23 1.77 -2.28 -1.23 0.00 0.00 174.94 173.19 2nef s HIS 102 N 6.39 1.80 0.00 3.97 5.65 0.48 -4.89 115.29 128.70 2nef s HIS 102 Ca 0.83 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.84 2nef s HIS 102 Cb -0.28 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 26.97 2nef s HIS 102 CO 0.33 -2.39 0.53 0.45 -0.65 0.00 0.00 174.74 173.01 2nef n SER 103 N 11.67 0.00 0.00 9.88 2.88 -1.26 -3.18 113.62 133.60 2nef n SER 103 Ca 0.19 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2nef n SER 103 Cb 0.50 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.67 0.00 0.12 -1.46 -0.06 -1.26 -4.58 117.38 108.46 2nef n GLN 104 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 2nef n GLN 104 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 2nef n GLN 104 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2nef h ARG 105 N 0.00 0.00 -0.56 3.69 2.47 -2.00 -3.31 114.38 114.66 2nef h ARG 105 Ca 0.00 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.83 2nef h ARG 105 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2nef h ARG 105 CO 0.00 0.28 0.39 0.00 0.56 0.00 0.00 179.97 181.20 2nef h ARG 106 N 0.00 0.27 -0.30 0.04 3.08 -1.95 -1.11 114.38 114.41 2nef h ARG 106 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2nef h ARG 106 Cb 1.32 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 2nef h ARG 106 CO 0.04 0.18 0.11 0.37 -1.07 0.00 0.00 179.97 179.59 2nef h GLN 107 N 0.28 0.45 0.33 0.04 -0.00 -1.96 -2.32 115.11 111.92 2nef h GLN 107 Ca 0.27 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.81 2nef h GLN 107 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.09 2nef h GLN 107 CO -0.06 0.49 -0.16 -0.44 0.00 0.00 0.00 178.83 178.66 2nef h ASP 108 N 0.33 -0.37 -0.26 -0.69 5.19 -1.42 -2.88 116.42 116.32 2nef h ASP 108 Ca 0.10 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.58 2nef h ASP 108 Cb 0.21 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.74 2nef h ASP 108 CO -0.01 -0.26 -0.24 0.40 -3.12 0.00 0.00 179.24 176.01 2nef h ILE 109 N -0.44 0.38 -0.05 0.35 2.04 -1.39 0.19 117.51 118.59 2nef h ILE 109 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2nef h ILE 109 Cb 0.34 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2nef h ILE 109 CO 0.07 0.00 -0.08 0.25 0.00 0.00 0.00 178.15 178.40 2nef h LEU 110 N -0.24 -0.25 -1.11 1.44 5.85 -1.30 0.47 115.31 120.16 2nef h LEU 110 Ca 0.14 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2nef h LEU 110 Cb 0.46 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 2nef h LEU 110 CO -0.40 -0.06 0.61 0.44 -0.34 0.00 0.00 178.44 178.69 2nef h ASP 111 N -0.06 0.83 -0.06 1.25 3.32 -1.30 -2.08 116.42 118.32 2nef h ASP 111 Ca 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2nef h ASP 111 Cb 0.08 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2nef h ASP 111 CO -0.08 0.43 0.03 0.25 -1.72 0.00 0.00 179.24 178.15 2nef h LEU 112 N 0.89 0.07 -0.72 1.55 5.85 0.62 -2.28 115.31 121.30 2nef h LEU 112 Ca 0.48 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.21 2nef h LEU 112 Cb 0.57 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 2nef h LEU 112 CO -0.25 0.18 0.25 -0.25 -0.34 0.00 0.00 178.44 178.04 2nef h TRP 113 N -0.04 0.41 -0.81 1.25 7.01 0.57 0.32 115.95 124.67 2nef h TRP 113 Ca 0.02 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.09 2nef h TRP 113 Cb 0.13 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.07 2nef h TRP 113 CO -0.03 0.02 0.53 0.82 -2.79 0.00 0.00 178.44 176.99 2nef h ILE 114 N 0.38 1.13 0.63 2.65 1.08 -1.15 -2.73 117.51 119.50 2nef h ILE 114 Ca 0.40 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2nef h ILE 114 Cb 0.62 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2nef h ILE 114 CO -0.42 0.18 -0.30 0.22 -0.69 0.00 0.00 178.15 177.13 2nef h TYR 115 N 0.99 -0.79 0.00 1.37 3.20 0.17 -0.72 116.97 121.19 2nef h TYR 115 Ca 0.32 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2nef h TYR 115 Cb 0.04 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2nef h TYR 115 CO -0.00 -0.49 0.00 0.72 -1.64 0.00 0.00 178.16 176.75 2nef n HIS 116 N -4.82 0.00 0.00 -3.82 8.25 -0.74 -1.78 115.22 112.31 2nef n HIS 116 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2nef n HIS 116 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.57 0.00 1.31 1.59 -2.24 -1.04 -4.32 114.28 109.01 2nef n THR 117 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2nef n THR 117 Cb 0.00 -0.22 0.71 0.00 -2.10 0.00 0.00 70.33 68.72 2nef n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nef n GLN 118 N -0.61 0.34 -1.50 -0.78 6.02 -0.37 -4.60 117.38 115.88 2nef n GLN 118 Ca 0.00 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.85 2nef n GLN 118 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nef n GLY 119 N 1.23 1.28 3.69 1.08 0.00 -0.66 -4.71 105.19 107.11 2nef n GLY 119 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.29 2.93 0.29 1.61 2.02 -1.26 -4.74 117.35 115.92 2nef s TYR 120 Ca 0.00 0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 57.29 2nef s TYR 120 Cb 0.00 -3.63 -0.10 0.00 -0.40 0.00 0.00 41.96 37.83 2nef s TYR 120 CO 0.00 -2.30 1.30 0.12 -1.57 0.00 0.00 175.55 173.10 2nef s PHE 121 N 2.25 3.15 0.00 2.71 2.19 -1.26 -4.67 117.98 122.34 2nef s PHE 121 Ca 0.63 1.35 -0.02 0.00 0.33 0.00 0.00 56.93 59.22 2nef s PHE 121 Cb -0.31 -3.64 -0.09 0.00 -1.31 0.00 0.00 43.02 37.67 2nef s PHE 121 CO 0.26 -1.84 1.71 -0.35 1.83 0.00 0.00 175.22 176.84 2nef n PRO 122 N 1.46 0.84 0.00 10.12 -0.04 -1.26 -4.15 135.00 141.96 2nef n PRO 122 Ca 0.02 -0.33 0.15 0.00 -0.04 0.00 0.00 63.50 63.30 2nef n PRO 122 Cb 0.42 -1.58 0.74 0.00 -0.04 0.00 0.00 33.50 33.05 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nef n ASP 123 N 2.40 0.36 -0.01 3.54 5.75 -1.26 -2.97 116.55 124.36 2nef n ASP 123 Ca 0.14 -0.76 0.10 0.00 -0.01 0.00 0.00 54.79 54.26 2nef n ASP 123 Cb 0.39 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.89 0.00 -2.42 2.11 4.27 -1.26 -4.83 117.44 114.42 2nef n TRP 124 Ca 0.18 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.38 2nef n TRP 124 Cb 0.22 -0.41 -0.03 0.00 -1.36 0.00 0.00 31.31 29.74 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 -3.33 3.15 -0.41 -2.67 0.74 -1.16 -4.79 119.66 111.19 2nef s GLN 125 Ca -0.06 0.13 0.09 0.00 0.05 0.00 0.00 55.36 55.58 2nef s GLN 125 Cb 0.13 -4.19 0.33 0.00 1.10 0.00 0.00 33.01 30.38 2nef s GLN 125 CO 0.83 -2.15 0.89 0.09 -0.55 0.00 0.00 175.29 174.39 2nef n ASN 126 N 9.93 -0.62 -4.57 6.67 3.02 -1.26 -5.06 115.26 123.36 2nef n ASN 126 Ca 0.09 -3.29 -0.29 0.00 -0.03 0.00 0.00 54.58 51.06 2nef n ASN 126 Cb 0.50 0.51 0.17 0.00 -0.61 0.00 0.00 39.78 40.35 2nef n ASN 126 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2nef s TYR 127 N -1.17 1.98 1.01 3.10 2.02 -1.26 -3.16 117.35 119.87 2nef s TYR 127 Ca 0.32 0.84 -0.12 0.00 -0.37 0.00 0.00 57.07 57.74 2nef s TYR 127 Cb 0.31 -3.37 0.20 0.00 -0.40 0.00 0.00 41.96 38.71 2nef s TYR 127 CO -0.07 -2.88 1.08 0.95 -1.57 0.00 0.00 175.55 173.05 2nef s THR 128 N -3.11 2.24 0.09 -0.71 -4.23 -0.81 -4.82 115.64 104.30 2nef s THR 128 Ca 0.66 0.08 -0.34 0.00 -1.18 0.00 0.00 61.69 60.91 2nef s THR 128 Cb -0.16 -2.35 -0.18 0.00 1.34 0.00 0.00 72.50 71.15 2nef s THR 128 CO 0.56 -0.10 0.79 -2.65 -0.54 0.00 0.00 174.62 172.68 2nef n PRO 129 N -4.36 0.00 0.00 3.99 -0.02 -1.26 -4.85 135.00 128.50 2nef n PRO 129 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2nef n PRO 129 Cb 0.55 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 1.70 -3.13 2.89 -1.23 0.00 -1.26 -4.65 105.19 99.51 2nef n GLY 130 Ca 0.19 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.41 2nef n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nef n PRO 131 N -2.63 0.00 -0.86 1.61 -0.02 -1.26 -4.65 135.00 127.19 2nef n PRO 131 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 2nef n PRO 131 Cb 0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.53 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 132 N 2.75 -1.46 2.83 -1.23 0.00 -1.26 -4.76 105.19 102.06 2nef n GLY 132 Ca 0.03 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.29 0.00 -3.15 -0.61 5.41 -1.26 -4.93 119.36 111.54 2nef n ILE 133 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2nef n ILE 133 Cb 0.39 -0.51 -0.00 0.00 -0.71 0.00 0.00 39.64 38.81 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 -3.56 0.53 0.24 0.38 3.52 -1.14 -4.83 118.95 114.10 2nef s ARG 134 Ca 0.35 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 56.18 2nef s ARG 134 Cb -0.06 0.19 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 2nef s ARG 134 CO 0.29 -0.93 0.54 0.71 -0.81 0.00 0.00 175.30 175.10 2nef s TYR 135 N 2.64 3.44 -0.15 5.12 1.51 -1.26 -3.20 117.35 125.45 2nef s TYR 135 Ca 0.14 0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 56.71 2nef s TYR 135 Cb -0.07 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 2nef s TYR 135 CO -0.22 0.26 1.22 -1.25 -1.11 0.00 0.00 175.55 174.45 2nef s PRO 136 N -2.96 4.26 0.04 -1.71 0.04 -1.26 -1.92 135.00 131.49 2nef s PRO 136 Ca 0.46 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2nef s PRO 136 Cb -0.11 -3.71 -0.17 0.00 0.04 0.00 0.00 34.50 30.55 2nef s PRO 136 CO 0.23 -0.64 1.50 -0.07 0.04 0.00 0.00 177.00 178.06 2nef h LEU 137 N 9.37 -0.24-10.32 -3.56 3.38 -1.86 -3.44 115.31 108.63 2nef h LEU 137 Ca -0.27 -0.12 -0.42 0.00 0.09 0.00 0.00 57.88 57.15 2nef h LEU 137 Cb 1.11 0.06 0.19 0.00 0.09 0.00 0.00 40.66 42.11 2nef h LEU 137 CO 0.95 -0.02 0.11 0.28 0.09 0.00 0.00 178.44 179.85 2nef s THR 138 N -5.42 1.72 0.29 0.22 -1.32 -1.26 -5.05 115.64 104.82 2nef s THR 138 Ca -0.15 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.40 2nef s THR 138 Cb 0.04 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 2nef s THR 138 CO 0.62 0.00 0.29 0.12 -2.21 0.00 0.00 174.62 173.45 2nef s PHE 139 N -2.86 3.08 0.00 9.09 5.36 -1.26 -4.63 117.98 126.76 2nef s PHE 139 Ca 0.69 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 2nef s PHE 139 Cb -0.14 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 2nef s PHE 139 CO 0.58 0.31 0.00 0.41 -1.46 0.00 0.00 175.22 175.06 2nef n GLY 140 N -1.35 2.89 3.55 13.12 0.00 -1.26 -4.96 105.19 117.17 2nef n GLY 140 Ca -0.05 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.55 2.22 -0.38 1.61 -0.00 -1.26 -3.32 118.94 117.25 2nef s TRP 141 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 56.10 56.07 2nef s TRP 141 Cb 0.00 -4.57 -0.10 0.00 -0.00 0.00 0.00 33.47 28.81 2nef s TRP 141 CO 0.00 -2.10 3.16 0.00 -0.00 0.00 0.00 176.95 178.01 2nef s TYR 143 N -0.16 3.07 -0.32 0.00 1.13 -1.26 -2.39 117.35 117.42 2nef s TYR 143 Ca 0.63 -0.07 -0.01 0.00 -1.41 0.00 0.00 57.07 56.21 2nef s TYR 143 Cb 0.33 -1.88 0.10 0.00 -1.10 0.00 0.00 41.96 39.41 2nef s TYR 143 CO -0.10 0.18 0.11 0.15 -2.51 0.00 0.00 175.55 173.39 2nef s LYS 144 N -0.17 0.72 0.21 -3.49 1.02 -1.13 -4.28 119.74 112.62 2nef s LYS 144 Ca 0.04 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.61 2nef s LYS 144 Cb -0.13 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 2nef s LYS 144 CO 0.02 -1.01 1.08 -0.51 -0.92 0.00 0.00 175.35 174.01 2nef s LEU 145 N 1.53 4.53 -0.20 3.17 1.43 -1.19 -1.47 118.68 126.47 2nef s LEU 145 Ca 0.11 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 55.17 2nef s LEU 145 Cb -0.18 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.49 2nef s LEU 145 CO -0.23 -0.15 0.52 -0.69 0.23 0.00 0.00 176.35 176.03 2nef s VAL 146 N -0.61 -0.01 1.11 -1.59 1.01 -1.12 -2.86 120.40 116.33 2nef s VAL 146 Ca 0.47 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 2nef s VAL 146 Cb -0.30 -0.74 0.26 0.00 0.00 0.00 0.00 36.38 35.60 2nef s VAL 146 CO 0.36 0.01 1.22 -2.16 0.00 0.00 0.00 175.10 174.53 2nef s PRO 147 N 0.85 -0.48 0.00 2.72 0.04 -1.26 -1.68 135.00 135.18 2nef s PRO 147 Ca -0.05 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2nef s PRO 147 Cb -0.05 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2nef s PRO 147 CO -0.07 -3.18 0.00 0.28 0.04 0.00 0.00 177.00 174.07 2nef n VAL 148 N -4.34 0.00 -1.97 -0.36 0.31 -1.26 -4.85 118.33 105.86 2nef n VAL 148 Ca 0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.12 2nef n VAL 148 Cb 0.59 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.56 2nef n VAL 148 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nef s GLU 149 N 0.53 2.92 0.00 5.55 2.02 -1.26 -4.85 118.70 123.62 2nef s GLU 149 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 54.97 56.80 2nef s GLU 149 Cb 0.00 -1.93 0.23 0.00 0.10 0.00 0.00 34.13 32.54 2nef s GLU 149 CO 0.00 -1.23 1.00 -0.35 0.02 0.00 0.00 175.26 174.70 2nef n PRO 150 N -1.73 0.06 -1.89 0.39 -0.04 -1.26 -4.72 135.00 125.82 2nef n PRO 150 Ca 0.13 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 2nef n PRO 150 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nef s GLU 151 N -2.61 4.19 -0.03 0.54 0.41 -1.26 -4.89 118.70 115.05 2nef s GLU 151 Ca 0.04 2.41 -0.11 0.00 -0.41 0.00 0.00 54.97 56.90 2nef s GLU 151 Cb 0.03 -3.24 -0.32 0.00 -1.78 0.00 0.00 34.13 28.83 2nef s GLU 151 CO 0.07 -0.66 0.76 0.87 -0.49 0.00 0.00 175.26 175.81 2nef h LYS 152 N 7.14 0.42 -6.44 1.61 1.79 -2.03 -3.43 116.57 115.63 2nef h LYS 152 Ca -0.43 -0.71 -0.58 0.00 -2.18 0.00 0.00 60.65 56.75 2nef h LYS 152 Cb 1.20 0.27 -0.08 0.00 -1.58 0.00 0.00 32.23 32.04 2nef h LYS 152 CO 0.93 1.33 0.78 -0.51 -1.08 0.00 0.00 179.45 180.90 2nef s LEU 153 N -7.34 3.81 0.00 2.94 1.43 -1.26 -5.02 118.68 113.24 2nef s LEU 153 Ca -0.14 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2nef s LEU 153 Cb 0.05 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2nef s LEU 153 CO 0.88 -1.12 0.00 -0.62 0.23 0.00 0.00 176.35 175.72 2nef n GLU 154 N 7.44 -0.38 0.09 1.70 -0.58 -1.26 -4.93 120.64 122.72 2nef n GLU 154 Ca 0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.78 2nef n GLU 154 Cb 0.49 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.43 2nef n GLU 154 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2nef h GLU 155 N 0.00 0.20 -7.30 3.49 4.22 -1.99 -3.44 114.58 109.76 2nef h GLU 155 Ca 0.00 -0.16 -0.51 0.00 0.08 0.00 0.00 59.36 58.77 2nef h GLU 155 Cb 0.00 0.03 0.09 0.00 0.50 0.00 0.00 28.75 29.38 2nef h GLU 155 CO 0.00 0.82 0.37 0.00 -2.18 0.00 0.00 179.01 178.02 2nef s ALA 156 N -3.54 2.64 0.00 2.92 0.00 -1.26 -5.02 121.76 117.49 2nef s ALA 156 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2nef s ALA 156 Cb 0.11 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2nef s ALA 156 CO 0.80 -1.18 0.00 0.27 0.00 0.00 0.00 175.76 175.65 2nef n ASN 157 N -2.88 0.00 -3.83 0.00 0.23 -1.26 -4.98 115.26 102.54 2nef n ASN 157 Ca 0.08 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 54.02 2nef n ASN 157 Cb 0.53 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.14 2nef n ASN 157 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2nef s LYS 158 N 0.00 0.63 0.00 -3.83 2.20 -1.26 -4.75 119.74 112.72 2nef s LYS 158 Ca 0.00 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2nef s LYS 158 Cb 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2nef s LYS 158 CO 0.00 -0.17 0.00 -0.25 -0.36 0.00 0.00 175.35 174.57 2nef n ASP 174 N 1.05 0.00 -3.65 1.43 9.92 -1.26 -5.13 116.55 118.91 2nef n ASP 174 Ca -0.21 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.90 2nef n ASP 174 Cb 0.57 0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.99 2nef n ASP 174 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2nef s ASP 175 N -2.29 -0.53 0.38 -2.24 1.01 -1.26 -5.04 116.67 106.69 2nef s ASP 175 Ca 0.00 0.79 0.20 0.00 0.71 0.00 0.00 52.55 54.26 2nef s ASP 175 Cb 0.00 0.79 0.48 0.00 1.01 0.00 0.00 42.92 45.20 2nef s ASP 175 CO 0.00 -0.38 1.64 1.55 0.21 0.00 0.00 175.17 178.19 2nef h PRO 176 N 4.25 0.00 -4.63 8.23 0.13 -2.04 -3.38 132.00 134.55 2nef h PRO 176 Ca -0.28 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.16 2nef h PRO 176 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2nef h PRO 176 CO 0.28 0.29 2.79 -0.85 -0.23 0.00 0.00 178.00 180.28 2nef n GLU 177 N -3.26 2.92 -0.93 0.86 0.28 -1.26 -4.78 120.64 114.46 2nef n GLU 177 Ca 0.02 -2.80 -0.10 0.00 -0.16 0.00 0.00 57.16 54.11 2nef n GLU 177 Cb 0.57 -3.35 -0.15 0.00 1.43 0.00 0.00 31.44 29.94 2nef n GLU 177 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2nef n ARG 178 N 6.89 1.85 -0.62 3.44 5.12 -1.26 -4.64 116.66 127.45 2nef n ARG 178 Ca 0.51 -0.87 -0.06 0.00 -1.93 0.00 0.00 57.85 55.51 2nef n ARG 178 Cb 0.41 -1.87 -0.08 0.00 -1.16 0.00 0.00 32.46 29.76 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2nef n GLU 179 N 2.38 1.24 -2.72 5.56 -0.58 -1.26 -4.77 120.64 120.50 2nef n GLU 179 Ca 0.37 -0.48 -0.42 0.00 -0.42 0.00 0.00 57.16 56.21 2nef n GLU 179 Cb 0.86 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.10 4.22 -0.00 2.62 1.01 -1.26 -4.65 120.40 123.43 2nef s VAL 180 Ca 0.32 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2nef s VAL 180 Cb 0.15 -4.91 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 2nef s VAL 180 CO 0.00 -1.73 -0.19 -0.76 0.00 0.00 0.00 175.10 172.42 2nef s LEU 181 N 4.17 2.52 -0.16 3.92 1.43 -1.19 -4.37 118.68 125.00 2nef s LEU 181 Ca 0.38 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 2nef s LEU 181 Cb -0.04 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2nef s LEU 181 CO -0.05 0.30 0.12 -1.83 0.23 0.00 0.00 176.35 175.11 2nef s GLU 182 N -1.04 3.80 -0.45 1.70 -1.05 -0.68 0.18 118.70 121.17 2nef s GLU 182 Ca 0.13 -0.22 -0.28 0.00 -0.15 0.00 0.00 54.97 54.45 2nef s GLU 182 Cb -0.10 -3.26 -0.01 0.00 -0.44 0.00 0.00 34.13 30.32 2nef s GLU 182 CO 0.02 0.50 1.64 -1.58 0.95 0.00 0.00 175.26 176.80 2nef s TRP 183 N -0.24 2.01 -0.88 4.83 0.51 -0.98 -2.79 118.94 121.39 2nef s TRP 183 Ca 0.10 0.64 -0.18 0.00 -2.12 0.00 0.00 56.10 54.55 2nef s TRP 183 Cb -0.12 -4.22 0.15 0.00 -0.81 0.00 0.00 33.47 28.48 2nef s TRP 183 CO 0.01 -2.40 1.02 1.03 -0.51 0.00 0.00 176.95 176.10 2nef s ARG 184 N 5.73 3.56 0.21 4.98 0.52 -0.54 0.08 118.95 133.49 2nef s ARG 184 Ca 0.68 -1.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2nef s ARG 184 Cb -0.16 -4.76 -0.09 0.00 0.52 0.00 0.00 34.95 30.46 2nef s ARG 184 CO 0.29 -1.66 1.31 0.12 0.02 0.00 0.00 175.30 175.38 2nef s PHE 185 N 2.16 3.24 -0.46 -0.53 2.19 -1.26 -2.82 117.98 120.50 2nef s PHE 185 Ca 0.28 1.24 0.07 0.00 0.33 0.00 0.00 56.93 58.85 2nef s PHE 185 Cb -0.07 -3.61 0.24 0.00 -1.31 0.00 0.00 43.02 38.27 2nef s PHE 185 CO -0.08 -1.87 0.77 -3.47 1.83 0.00 0.00 175.22 172.40 2nef n ASP 186 N 2.47 -2.03 0.11 6.13 -0.08 -1.00 -4.96 116.55 117.18 2nef n ASP 186 Ca 0.06 -3.11 0.02 0.00 -1.51 0.00 0.00 54.79 50.24 2nef n ASP 186 Cb 0.43 1.10 0.08 0.00 2.34 0.00 0.00 41.12 45.07 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2nef n SER 187 N 1.65 0.08 0.26 1.67 3.41 -1.26 -0.02 113.62 119.40 2nef n SER 187 Ca 0.13 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 2nef n SER 187 Cb 0.60 -0.15 0.65 0.00 -0.26 0.00 0.00 64.21 65.05 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.00 0.00 4.33 3.08 -1.93 0.42 114.38 120.28 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 188 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2nef h ARG 188 CO 0.00 0.01 0.00 -0.11 -1.07 0.00 0.00 179.97 178.80 2nef n LEU 189 N -4.51 0.00 0.00 3.04 0.00 0.97 -1.37 117.00 115.13 2nef n LEU 189 Ca -0.03 0.45 0.10 0.00 0.00 0.00 0.00 56.01 56.53 2nef n LEU 189 Cb 0.09 -0.45 0.56 0.00 0.00 0.00 0.00 43.42 43.63 2nef n LEU 189 CO 0.34 -0.38 0.77 0.00 0.00 0.00 0.00 177.39 178.12 2nef n ALA 190 N -1.45 2.20 -0.95 1.96 0.00 0.15 -2.42 120.51 119.99 2nef n ALA 190 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2nef n ALA 190 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.03 0.00 -3.93 0.00 3.72 -0.47 -4.96 117.46 110.80 2nef n PHE 191 Ca 0.14 -0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.39 2nef n PHE 191 Cb 0.07 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.14 0.12 -0.31 1.38 3.76 -1.02 -5.14 115.29 113.95 2nef s HIS 192 Ca 0.00 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2nef s HIS 192 Cb 0.00 0.40 0.10 0.00 1.11 0.00 0.00 32.58 34.20 2nef s HIS 192 CO 0.00 -1.09 0.10 -1.58 -0.85 0.00 0.00 174.74 171.32 2nef s HIS 193 N -3.97 1.67 0.08 1.40 2.46 -1.26 -4.66 115.29 111.00 2nef s HIS 193 Ca 0.17 -1.70 -0.17 0.00 0.47 0.00 0.00 55.06 53.82 2nef s HIS 193 Cb -0.03 -1.69 -0.10 0.00 -0.13 0.00 0.00 32.58 30.64 2nef s HIS 193 CO 0.08 -0.87 1.43 0.52 -2.47 0.00 0.00 174.74 173.42 2nef h MET 194 N 8.10 0.53 -0.53 2.88 2.86 -1.97 -2.18 114.93 124.62 2nef h MET 194 Ca -0.14 -0.24 0.11 0.00 -2.06 0.00 0.00 59.70 57.37 2nef h MET 194 Cb 1.02 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.57 2nef h MET 194 CO 0.47 0.81 -0.10 0.00 1.06 0.00 0.00 176.91 179.15 2nef h ALA 195 N 0.71 0.40 0.00 6.32 0.00 -1.92 0.53 119.26 125.30 2nef h ALA 195 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2nef h ALA 195 Cb 0.66 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2nef h ALA 195 CO 0.04 -0.43 0.00 -0.09 0.00 0.00 0.00 179.25 178.77 2nef h ARG 196 N 0.03 0.00 -0.32 0.00 2.43 -1.75 -2.87 114.38 111.90 2nef h ARG 196 Ca 0.26 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2nef h ARG 196 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2nef h ARG 196 CO -0.52 0.00 -0.35 1.49 -1.51 0.00 0.00 179.97 179.07 2nef h GLU 197 N 0.00 0.81 0.00 0.20 4.81 0.70 -3.37 114.58 117.73 2nef h GLU 197 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2nef h GLU 197 Cb 0.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2nef h GLU 197 CO 0.00 1.07 0.00 1.28 -0.73 0.00 0.00 179.01 180.63 2nef n LEU 198 N -4.16 0.68 -3.78 1.64 4.77 -0.78 -4.99 117.00 110.38 2nef n LEU 198 Ca -0.03 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 2nef n LEU 198 Cb 0.52 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2nef n LEU 198 CO 0.47 -0.36 -0.02 -1.38 -1.33 0.00 0.00 177.39 174.77 2nef s HIS 199 N -1.03 -0.17 0.19 -1.77 -3.43 -1.10 -5.13 115.29 102.85 2nef s HIS 199 Ca 0.00 0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.26 2nef s HIS 199 Cb 0.00 0.08 -0.08 0.00 -1.43 0.00 0.00 32.58 31.15 2nef s HIS 199 CO 0.00 -0.33 1.14 -1.25 -2.00 0.00 0.00 174.74 172.29 2nef s PRO 200 N -1.08 4.56 0.00 -0.38 0.04 -1.26 -4.37 135.00 132.51 2nef s PRO 200 Ca -0.11 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2nef s PRO 200 Cb -0.05 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2nef s PRO 200 CO 0.03 0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.49 2nef n GLU 201 N 2.32 0.00 0.14 4.56 -0.58 -1.26 -4.79 120.64 121.03 2nef n GLU 201 Ca 0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2nef n GLU 201 Cb 0.45 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.67 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2nef h TYR 202 N 0.00 0.00 -4.11 -0.32 0.05 -2.01 -3.45 116.97 107.13 2nef h TYR 202 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2nef h TYR 202 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 2nef h TYR 202 CO 0.00 0.00 0.08 1.97 -1.05 0.00 0.00 178.16 179.16 2nef n PHE 203 N -2.51 -3.30 0.00 4.88 -1.74 -1.26 -5.06 117.46 108.47 2nef n PHE 203 Ca 0.05 -0.79 0.00 0.00 -0.56 0.00 0.00 57.45 56.15 2nef n PHE 203 Cb 0.45 -0.37 0.00 0.00 1.52 0.00 0.00 39.48 41.09 2nef n PHE 203 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2nef n LYS 204 N -1.95 0.00 0.00 3.97 5.02 -1.26 -4.83 118.16 119.10 2nef n LYS 204 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2nef n LYS 204 Cb 0.28 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 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 -2.43 0.00 -0.11 4.39 4.13 -1.26 -4.95 115.26 115.03 2nef n ASN 205 Ca 0.00 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.42 2nef n ASN 205 Cb 0.00 0.00 0.85 0.00 -1.54 0.00 0.00 39.78 39.09 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54