#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -1.99 -2.78 115.95 116.26 2nef h TRP 57 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 2nef h TRP 57 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2nef h TRP 57 CO 0.00 0.15 -0.91 1.37 -1.28 0.00 0.00 178.44 177.77 2nef h LEU 58 N 0.00 0.00 -5.88 0.11 -0.00 -1.95 -3.38 115.31 104.21 2nef h LEU 58 Ca -0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.24 2nef h LEU 58 Cb 0.70 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.36 2nef h LEU 58 CO 0.02 0.56 2.95 1.21 -0.00 0.00 0.00 178.44 183.18 2nef n GLU 59 N -3.09 2.51 -2.18 0.17 2.13 -1.05 -4.88 120.64 114.25 2nef n GLU 59 Ca -0.03 -2.15 -0.39 0.00 0.66 0.00 0.00 57.16 55.25 2nef n GLU 59 Cb 0.79 -2.98 -0.03 0.00 0.27 0.00 0.00 31.44 29.49 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 3.56 2.30 0.03 4.31 0.00 -1.26 -4.74 121.76 125.97 2nef s ALA 60 Ca 0.53 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 2nef s ALA 60 Cb 0.14 -4.31 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 2nef s ALA 60 CO -0.02 -3.78 1.27 0.37 0.00 0.00 0.00 175.76 173.60 2nef h GLN 61 N 13.50 -0.57 0.00 0.00 4.15 -1.94 -3.48 115.11 126.77 2nef h GLN 61 Ca -0.24 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2nef h GLN 61 Cb 1.13 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2nef h GLN 61 CO 1.24 -0.38 0.00 0.39 -1.93 0.00 0.00 178.83 178.15 2nef n GLU 62 N -3.76 0.00 -2.58 1.69 1.02 -1.26 -5.01 120.64 110.75 2nef n GLU 62 Ca -0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 2nef n GLU 62 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.64 2nef n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 63 N 0.00 3.61 0.77 3.49 2.12 -1.26 -4.98 118.70 122.46 2nef s GLU 63 Ca 0.00 -1.20 -0.17 0.00 0.36 0.00 0.00 54.97 53.96 2nef s GLU 63 Cb 0.00 -5.35 -0.09 0.00 0.26 0.00 0.00 34.13 28.95 2nef s GLU 63 CO 0.00 -2.19 -0.05 -1.91 -0.54 0.00 0.00 175.26 170.57 2nef n GLU 64 N 8.74 0.07 -3.39 4.30 2.13 -1.26 -4.98 120.64 126.25 2nef n GLU 64 Ca 0.33 0.04 -0.19 0.00 0.66 0.00 0.00 57.16 58.01 2nef n GLU 64 Cb 0.51 -1.38 -0.09 0.00 0.27 0.00 0.00 31.44 30.75 2nef n GLU 64 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2nef s GLU 65 N -2.18 0.51 -0.03 5.31 2.12 -1.26 -4.99 118.70 118.19 2nef s GLU 65 Ca 0.55 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2nef s GLU 65 Cb -0.32 -0.78 0.04 0.00 0.26 0.00 0.00 34.13 33.32 2nef s GLU 65 CO 0.69 -1.14 1.17 0.28 -0.54 0.00 0.00 175.26 175.72 2nef n VAL 66 N 4.59 1.25 -1.59 3.70 0.31 -1.26 -4.96 118.33 120.37 2nef n VAL 66 Ca 0.06 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2nef n VAL 66 Cb 0.44 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.53 2.25 2.70 2.92 0.00 -1.26 -4.24 105.19 108.09 2nef n GLY 67 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2nef n GLY 67 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nef n PHE 68 N 14.00 -1.49 -2.01 1.61 3.01 -1.26 -5.11 117.46 126.21 2nef n PHE 68 Ca 0.00 -1.91 -0.42 0.00 1.01 0.00 0.00 57.45 56.13 2nef n PHE 68 Cb 0.00 1.19 -0.03 0.00 -0.01 0.00 0.00 39.48 40.63 2nef n PHE 68 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2nef s PRO 69 N -0.63 4.15 -0.81 -1.08 0.04 -1.26 -4.94 135.00 130.47 2nef s PRO 69 Ca 0.16 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2nef s PRO 69 Cb 0.42 -3.99 0.05 0.00 0.04 0.00 0.00 34.50 31.02 2nef s PRO 69 CO -0.09 -0.88 1.24 0.14 0.04 0.00 0.00 177.00 177.44 2nef s VAL 70 N 4.13 4.00 -0.35 -0.36 -7.23 -1.26 -4.93 120.40 114.41 2nef s VAL 70 Ca 0.74 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2nef s VAL 70 Cb -0.33 -4.89 0.11 0.00 0.56 0.00 0.00 36.38 31.84 2nef s VAL 70 CO 0.30 -1.76 0.15 0.42 -0.31 0.00 0.00 175.10 173.90 2nef s THR 71 N 4.90 0.87 0.00 5.32 -4.23 -1.26 -5.12 115.64 116.12 2nef s THR 71 Ca 0.35 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2nef s THR 71 Cb -0.08 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2nef s THR 71 CO 0.06 -0.77 0.00 -0.81 -0.54 0.00 0.00 174.62 172.56 2nef n PRO 72 N 4.46 2.47 -1.53 3.99 -0.04 -1.26 -4.06 135.00 139.03 2nef n PRO 72 Ca 0.02 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 2nef n PRO 72 Cb 0.40 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.05 0.62 -2.60 0.54 1.13 -1.26 -4.59 117.38 111.17 2nef n GLN 73 Ca 0.00 -0.11 -0.31 0.00 -1.94 0.00 0.00 57.00 54.64 2nef n GLN 73 Cb 0.00 -2.78 -0.02 0.00 0.11 0.00 0.00 30.24 27.54 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2nef s VAL 74 N 10.90 4.72 -0.41 5.09 -7.23 -1.26 -4.87 120.40 127.34 2nef s VAL 74 Ca 1.10 0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 61.74 2nef s VAL 74 Cb -0.51 -3.76 -0.14 0.00 0.56 0.00 0.00 36.38 32.53 2nef s VAL 74 CO 0.32 -0.67 1.56 -2.65 -0.31 0.00 0.00 175.10 173.36 2nef n PRO 75 N -1.64 0.00 -1.64 4.82 -0.02 -1.26 -4.69 135.00 130.57 2nef n PRO 75 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 2nef n PRO 75 Cb 0.54 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.93 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 4.54 3.28 0.00 2.45 1.43 -1.26 -4.94 118.68 124.19 2nef s LEU 76 Ca 0.86 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 2nef s LEU 76 Cb -1.03 -2.52 0.18 0.00 0.03 0.00 0.00 46.19 42.86 2nef s LEU 76 CO 0.44 -3.00 1.12 0.54 0.23 0.00 0.00 176.35 175.69 2nef n ARG 77 N 9.00 -0.91 -3.12 1.70 1.74 -1.26 -5.02 116.66 118.79 2nef n ARG 77 Ca 0.36 -1.97 -0.41 0.00 -0.77 0.00 0.00 57.85 55.07 2nef n ARG 77 Cb 0.52 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2nef n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2nef s PRO 78 N -5.42 3.94 -0.43 5.56 0.04 -1.26 -4.99 135.00 132.44 2nef s PRO 78 Ca 0.65 0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 2nef s PRO 78 Cb -0.02 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2nef s PRO 78 CO 0.45 -0.54 2.04 1.41 0.04 0.00 0.00 177.00 180.40 2nef s MET 79 N 2.58 2.79 0.28 4.56 1.75 -1.26 -4.95 119.30 125.05 2nef s MET 79 Ca 0.25 1.29 -0.14 0.00 -1.25 0.00 0.00 55.69 55.84 2nef s MET 79 Cb -0.15 -4.38 -0.08 0.00 2.84 0.00 0.00 34.83 33.06 2nef s MET 79 CO 0.11 -2.51 0.68 0.95 -0.65 0.00 0.00 175.02 173.61 2nef s THR 80 N 9.08 4.74 0.24 10.11 -4.23 -1.26 -4.89 115.64 129.44 2nef s THR 80 Ca 0.84 0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 2nef s THR 80 Cb -0.20 -3.65 0.21 0.00 1.34 0.00 0.00 72.50 70.21 2nef s THR 80 CO 0.28 -0.09 1.75 0.10 -0.54 0.00 0.00 174.62 176.12 2nef h TYR 81 N 2.53 0.61 -0.01 3.99 -0.00 -1.92 2.66 116.97 124.82 2nef h TYR 81 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2nef h TYR 81 Cb 1.18 -0.15 -0.00 0.00 0.00 0.00 0.00 36.73 37.75 2nef h TYR 81 CO 0.62 0.13 0.01 -0.22 -0.00 0.00 0.00 178.16 178.70 2nef h LYS 82 N 0.53 0.00 -0.58 0.10 3.64 -1.93 -0.18 116.57 118.15 2nef h LYS 82 Ca 0.41 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 2nef h LYS 82 Cb 0.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2nef h LYS 82 CO -0.36 0.00 0.18 0.00 -2.27 0.00 0.00 179.45 177.00 2nef h ALA 83 N 1.99 1.24 -0.05 5.00 0.00 0.43 -0.12 119.26 127.75 2nef h ALA 83 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 83 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nef h ALA 83 CO -0.00 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.81 2nef h ALA 84 N 1.36 0.07 -0.32 0.00 0.00 -0.31 0.23 119.26 120.28 2nef h ALA 84 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2nef h ALA 84 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nef h ALA 84 CO -0.01 -0.33 0.11 0.28 0.00 0.00 0.00 179.25 179.31 2nef h VAL 85 N -0.11 1.19 -0.52 0.00 2.07 -1.31 0.57 116.25 118.14 2nef h VAL 85 Ca 0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2nef h VAL 85 Cb 0.21 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2nef h VAL 85 CO -0.00 0.21 0.33 0.44 0.02 0.00 0.00 177.57 178.57 2nef h ASP 86 N 0.36 0.61 -0.46 0.57 5.19 -0.94 -1.99 116.42 119.76 2nef h ASP 86 Ca 0.10 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2nef h ASP 86 Cb 0.22 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2nef h ASP 86 CO -0.01 0.46 0.21 0.25 -3.12 0.00 0.00 179.24 177.03 2nef h LEU 87 N 0.70 0.61 -0.53 1.55 5.85 -0.15 0.15 115.31 123.48 2nef h LEU 87 Ca 0.19 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2nef h LEU 87 Cb -0.05 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2nef h LEU 87 CO -0.04 0.59 0.08 0.77 -0.34 0.00 0.00 178.44 179.50 2nef h SER 88 N 0.60 -0.07 0.39 1.25 4.64 0.78 0.11 113.55 121.24 2nef h SER 88 Ca 0.16 0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.40 2nef h SER 88 Cb 0.15 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2nef h SER 88 CO -0.02 -0.01 -0.75 0.45 -0.87 0.00 0.00 176.83 175.63 2nef h HIS 89 N 0.20 0.41 0.30 4.77 3.86 -1.10 -2.62 115.15 120.98 2nef h HIS 89 Ca 0.27 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2nef h HIS 89 Cb 0.40 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2nef h HIS 89 CO -0.26 0.94 -0.20 0.35 0.86 0.00 0.00 177.93 179.61 2nef h PHE 90 N 0.20 -0.54 -0.02 2.45 3.57 0.67 -1.20 116.94 122.08 2nef h PHE 90 Ca -0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2nef h PHE 90 Cb 1.33 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 2nef h PHE 90 CO 0.03 -0.32 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.72 2nef h LEU 91 N -0.50 0.02 0.32 0.59 3.38 -1.07 -1.53 115.31 116.52 2nef h LEU 91 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2nef h LEU 91 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2nef h LEU 91 CO 0.02 0.04 -0.15 0.50 0.09 0.00 0.00 178.44 178.93 2nef h LYS 92 N 0.02 -0.41 0.00 1.13 3.64 -0.86 -2.84 116.57 117.25 2nef h LYS 92 Ca 0.01 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2nef h LYS 92 Cb 0.04 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2nef h LYS 92 CO 0.00 -0.14 -0.00 0.93 -2.27 0.00 0.00 179.45 177.97 2nef h GLU 93 N -0.66 0.00 -1.09 1.90 5.08 -0.99 -1.33 114.58 117.49 2nef h GLU 93 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2nef h GLU 93 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2nef h GLU 93 CO 0.07 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 2nef n LYS 94 N -3.09 0.87 0.00 2.33 5.02 -0.60 -4.70 118.16 117.99 2nef n LYS 94 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nef n LYS 94 Cb 0.26 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.49 3.03 0.00 0.72 0.00 -1.09 -4.63 105.19 103.71 2nef n GLY 95 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 0.00 1.89 0.18 -0.02 0.00 -0.52 -4.94 105.19 101.79 2nef n GLY 96 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 0.00 0.00 -9.72 0.99 5.85 -1.81 -3.45 115.31 107.17 2nef h LEU 97 Ca 0.00 -0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 2nef h LEU 97 Cb 0.00 0.00 0.19 0.00 0.37 0.00 0.00 40.66 41.22 2nef h LEU 97 CO 0.00 0.00 -0.30 1.21 -0.34 0.00 0.00 178.44 179.01 2nef n GLU 98 N -2.83 0.31 -0.51 1.25 0.00 -1.26 -1.81 120.64 115.79 2nef n GLU 98 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2nef n GLU 98 Cb 0.50 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 30.03 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 1.52 0.00 3.63 8.31 0.00 0.15 -4.89 105.19 113.90 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 3.89 -0.34 0.99 2.96 -0.75 -4.77 118.68 120.66 2nef s LEU 100 Ca 0.00 1.27 -0.28 0.00 -0.22 0.00 0.00 54.13 54.90 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 -1.09 2.11 -0.63 -1.32 0.00 0.00 176.35 175.43 2nef s ILE 101 N 4.43 3.17 -0.47 6.68 -1.09 -1.26 -2.59 121.20 130.06 2nef s ILE 101 Ca 0.58 0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.88 2nef s ILE 101 Cb -0.18 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2nef s ILE 101 CO 0.23 -0.20 1.97 -2.28 -1.23 0.00 0.00 174.94 173.44 2nef s HIS 102 N 8.83 1.56 0.00 3.97 5.65 0.84 -4.89 115.29 131.26 2nef s HIS 102 Ca 0.91 0.87 0.00 0.00 0.25 0.00 0.00 55.06 57.10 2nef s HIS 102 Cb -0.25 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.16 2nef s HIS 102 CO 0.31 -2.68 0.48 0.43 -0.65 0.00 0.00 174.74 172.63 2nef n SER 103 N 12.52 0.00 0.00 9.88 7.64 -1.26 -3.39 113.62 139.01 2nef n SER 103 Ca 0.25 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2nef n SER 103 Cb 0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2nef n GLN 104 N -1.11 0.00 0.07 1.43 7.27 -1.26 -4.79 117.38 118.99 2nef n GLN 104 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 2nef n GLN 104 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 2nef n GLN 104 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nef h ARG 105 N 0.00 0.00 -0.24 3.69 3.08 -2.00 -3.31 114.38 115.60 2nef h ARG 105 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2nef h ARG 105 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2nef h ARG 105 CO 0.00 0.28 0.28 0.00 -1.07 0.00 0.00 179.97 179.46 2nef h ARG 106 N 0.00 0.00 -0.02 0.04 -0.00 -1.95 -1.03 114.38 111.42 2nef h ARG 106 Ca -0.10 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2nef h ARG 106 Cb 1.43 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.40 2nef h ARG 106 CO 0.04 0.00 0.01 0.37 0.00 0.00 0.00 179.97 180.39 2nef h GLN 107 N 0.00 0.03 -0.41 0.04 -0.00 -1.97 -2.52 115.11 110.29 2nef h GLN 107 Ca 0.11 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.78 2nef h GLN 107 Cb 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.12 2nef h GLN 107 CO -0.00 0.18 0.23 -0.44 0.00 0.00 0.00 178.83 178.79 2nef h ASP 108 N -0.12 0.36 -0.88 -0.69 3.32 -1.42 -1.83 116.42 115.17 2nef h ASP 108 Ca 0.01 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.24 2nef h ASP 108 Cb 0.15 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.54 2nef h ASP 108 CO -0.00 0.26 0.45 0.40 -1.72 0.00 0.00 179.24 178.63 2nef h ILE 109 N 0.46 0.66 0.48 0.35 2.04 -1.32 0.76 117.51 120.95 2nef h ILE 109 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2nef h ILE 109 Cb 0.04 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2nef h ILE 109 CO -0.09 0.11 -0.23 0.25 0.00 0.00 0.00 178.15 178.18 2nef h LEU 110 N 0.59 -0.55 -0.64 1.44 5.85 -0.90 1.19 115.31 122.28 2nef h LEU 110 Ca 0.50 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.34 2nef h LEU 110 Cb 0.79 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2nef h LEU 110 CO -0.41 -0.38 0.26 0.44 -0.34 0.00 0.00 178.44 178.01 2nef h ASP 111 N -0.67 0.27 -0.04 1.25 3.32 -1.09 -0.97 116.42 118.49 2nef h ASP 111 Ca -0.07 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nef h ASP 111 Cb 0.50 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2nef h ASP 111 CO 0.11 0.15 0.01 0.25 -1.72 0.00 0.00 179.24 178.04 2nef h LEU 112 N 0.44 0.06 -0.68 1.55 5.85 0.63 -2.50 115.31 120.65 2nef h LEU 112 Ca 0.33 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.99 2nef h LEU 112 Cb 0.41 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 2nef h LEU 112 CO -0.31 0.23 0.20 -0.25 -0.34 0.00 0.00 178.44 177.97 2nef h TRP 113 N -0.12 0.32 -0.23 1.25 7.01 0.22 0.78 115.95 125.18 2nef h TRP 113 Ca 0.01 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.11 2nef h TRP 113 Cb 0.20 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 2nef h TRP 113 CO -0.01 -0.01 0.17 0.82 -2.79 0.00 0.00 178.44 176.61 2nef h ILE 114 N 0.32 0.90 0.06 2.65 1.08 -0.92 -2.84 117.51 118.76 2nef h ILE 114 Ca 0.37 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2nef h ILE 114 Cb 0.57 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2nef h ILE 114 CO -0.43 0.01 -0.03 0.22 -0.69 0.00 0.00 178.15 177.23 2nef h TYR 115 N 0.04 -0.07 0.00 1.37 3.20 0.10 0.27 116.97 121.87 2nef h TYR 115 Ca 0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2nef h TYR 115 Cb 0.39 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2nef h TYR 115 CO -0.00 -0.04 0.00 0.72 -1.64 0.00 0.00 178.16 177.20 2nef n HIS 116 N -2.26 0.00 0.00 -3.82 8.25 -1.03 -1.71 115.22 114.64 2nef n HIS 116 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2nef n HIS 116 Cb 0.03 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.34 0.00 0.47 1.59 -2.24 -1.08 -4.19 114.28 108.49 2nef n THR 117 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2nef n THR 117 Cb 0.01 -0.25 0.26 0.00 -2.10 0.00 0.00 70.33 68.24 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N 0.00 0.00 -0.02 -0.78 4.20 -1.27 -3.42 115.11 113.81 2nef h GLN 118 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2nef h GLN 118 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2nef h GLN 118 CO 0.00 0.00 -0.01 0.41 -0.67 0.00 0.00 178.83 178.56 2nef n GLY 119 N 1.26 0.33 3.72 3.46 0.00 0.79 -4.62 105.19 110.13 2nef n GLY 119 Ca 0.04 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.62 3.36 0.48 1.61 2.02 -1.24 -4.83 117.35 117.13 2nef s TYR 120 Ca 0.00 1.21 -0.21 0.00 -0.37 0.00 0.00 57.07 57.70 2nef s TYR 120 Cb 0.00 -3.52 -0.08 0.00 -0.40 0.00 0.00 41.96 37.96 2nef s TYR 120 CO 0.00 -1.66 1.06 -0.59 -1.57 0.00 0.00 175.55 172.79 2nef s PHE 121 N 0.75 2.98 0.00 2.71 -0.12 -1.26 -4.48 117.98 118.55 2nef s PHE 121 Ca 0.59 1.58 -0.00 0.00 -0.05 0.00 0.00 56.93 59.05 2nef s PHE 121 Cb -0.33 -3.13 -0.01 0.00 -0.63 0.00 0.00 43.02 38.92 2nef s PHE 121 CO 0.32 -0.96 1.58 -0.35 -0.05 0.00 0.00 175.22 175.76 2nef n PRO 122 N -0.86 0.79 -0.13 1.99 -0.04 -1.26 -4.24 135.00 131.25 2nef n PRO 122 Ca 0.09 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2nef n PRO 122 Cb 0.52 -1.14 0.09 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.65 1.35 0.00 3.54 5.75 -1.26 -3.49 116.55 124.09 2nef n ASP 123 Ca 0.01 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 2nef n ASP 123 Cb 0.39 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.07 0.00 -2.42 2.11 4.27 -1.26 -4.98 117.44 115.22 2nef n TRP 124 Ca 0.06 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 2nef n TRP 124 Cb 0.26 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.19 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 -1.92 3.87 0.33 -2.67 2.00 -1.23 -4.53 119.66 115.51 2nef s GLN 125 Ca 0.00 1.18 -0.15 0.00 -2.00 0.00 0.00 55.36 54.39 2nef s GLN 125 Cb 0.00 -3.90 0.03 0.00 0.80 0.00 0.00 33.01 29.94 2nef s GLN 125 CO 0.00 -1.18 0.68 -0.80 -0.50 0.00 0.00 175.29 173.49 2nef s ASN 126 N 2.91 0.04 0.11 6.67 0.01 -1.26 -5.05 114.94 118.37 2nef s ASN 126 Ca 0.56 -1.01 -0.25 0.00 -0.71 0.00 0.00 52.86 51.46 2nef s ASN 126 Cb -0.16 0.75 0.08 0.00 0.41 0.00 0.00 41.25 42.33 2nef s ASN 126 CO 0.24 -1.46 0.66 -0.31 -1.51 0.00 0.00 177.10 174.73 2nef s TYR 127 N -3.13 -0.51 0.60 2.20 1.51 -1.26 -3.15 117.35 113.61 2nef s TYR 127 Ca 0.17 0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 56.40 2nef s TYR 127 Cb -0.04 0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 42.32 2nef s TYR 127 CO 0.11 -0.77 1.25 0.95 -1.11 0.00 0.00 175.55 175.97 2nef s THR 128 N -3.45 2.43 0.00 -0.71 -4.23 -0.97 -4.78 115.64 103.93 2nef s THR 128 Ca 0.01 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2nef s THR 128 Cb -0.01 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2nef s THR 128 CO -0.11 -0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.11 2nef n PRO 129 N -1.56 -0.61 -0.47 3.99 -0.04 -1.26 -4.79 135.00 130.26 2nef n PRO 129 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2nef n PRO 129 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 130 N 2.82 -3.32 0.00 0.55 0.00 -1.26 -5.01 105.19 98.97 2nef n GLY 130 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.39 0.03 0.00 1.61 -0.04 -1.26 -4.89 135.00 129.06 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 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 4.24 0.53 3.06 0.55 0.00 -1.26 -4.83 105.19 107.47 2nef n GLY 132 Ca 0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N 0.00 0.00 -3.15 -0.61 5.41 -1.26 -4.84 119.36 114.91 2nef n ILE 133 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 62.75 63.70 2nef n ILE 133 Cb 0.00 -0.44 -0.00 0.00 -0.71 0.00 0.00 39.64 38.49 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 -3.23 0.40 0.38 0.38 3.52 -1.09 -5.00 118.95 114.30 2nef s ARG 134 Ca 0.39 0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 56.31 2nef s ARG 134 Cb -0.05 0.23 -0.08 0.00 -1.56 0.00 0.00 34.95 33.48 2nef s ARG 134 CO 0.42 -0.67 0.79 0.71 -0.81 0.00 0.00 175.30 175.74 2nef s TYR 135 N 2.89 3.41 -0.16 5.12 1.51 -1.26 -2.61 117.35 126.24 2nef s TYR 135 Ca 0.16 1.20 -0.29 0.00 -1.01 0.00 0.00 57.07 57.12 2nef s TYR 135 Cb -0.08 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.22 2nef s TYR 135 CO -0.23 -0.04 1.19 -1.25 -1.11 0.00 0.00 175.55 174.11 2nef s PRO 136 N -3.44 4.26 0.04 -1.71 0.04 -1.26 -2.29 135.00 130.65 2nef s PRO 136 Ca 0.54 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 2nef s PRO 136 Cb -0.10 -3.70 -0.17 0.00 0.04 0.00 0.00 34.50 30.57 2nef s PRO 136 CO 0.24 -0.64 1.51 -0.07 0.04 0.00 0.00 177.00 178.08 2nef h LEU 137 N 9.39 -0.07-10.20 -3.56 3.38 -1.85 -3.44 115.31 108.96 2nef h LEU 137 Ca -0.26 -0.19 -0.52 0.00 0.09 0.00 0.00 57.88 56.99 2nef h LEU 137 Cb 1.10 0.02 0.14 0.00 0.09 0.00 0.00 40.66 42.01 2nef h LEU 137 CO 0.96 0.15 0.37 0.42 0.09 0.00 0.00 178.44 180.43 2nef s THR 138 N -5.31 2.69 0.30 0.22 -4.23 -1.26 -5.01 115.64 103.05 2nef s THR 138 Ca -0.14 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 2nef s THR 138 Cb 0.04 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2nef s THR 138 CO 0.65 -0.20 0.48 0.12 -0.54 0.00 0.00 174.62 175.13 2nef s PHE 139 N -2.22 3.49 0.00 3.99 2.19 -1.26 -4.28 117.98 119.88 2nef s PHE 139 Ca 0.70 0.26 0.00 0.00 0.33 0.00 0.00 56.93 58.22 2nef s PHE 139 Cb -0.25 -1.81 0.00 0.00 -1.31 0.00 0.00 43.02 39.65 2nef s PHE 139 CO 0.45 0.23 0.00 0.41 1.83 0.00 0.00 175.22 178.14 2nef n GLY 140 N -1.56 2.50 3.55 13.12 0.00 -1.26 -4.92 105.19 116.62 2nef n GLY 140 Ca -0.06 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.16 2.08 -0.01 1.61 -0.00 -1.26 -3.61 118.94 116.59 2nef s TRP 141 Ca 0.00 0.12 -0.06 0.00 -0.00 0.00 0.00 56.10 56.16 2nef s TRP 141 Cb 0.00 -4.39 -0.25 0.00 -0.00 0.00 0.00 33.47 28.83 2nef s TRP 141 CO 0.00 -2.04 3.53 0.00 -0.00 0.00 0.00 176.95 178.44 2nef s TYR 143 N 0.88 2.18 -0.16 0.00 2.02 -1.26 -1.42 117.35 119.60 2nef s TYR 143 Ca 0.64 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2nef s TYR 143 Cb 0.31 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2nef s TYR 143 CO -0.01 -0.49 -0.05 0.15 -1.57 0.00 0.00 175.55 173.58 2nef s LYS 144 N 0.86 1.43 0.24 -0.62 1.02 -0.98 -4.17 119.74 117.50 2nef s LYS 144 Ca -0.08 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2nef s LYS 144 Cb -0.15 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 2nef s LYS 144 CO -0.00 -0.41 1.05 -0.51 -0.92 0.00 0.00 175.35 174.56 2nef s LEU 145 N 1.65 4.56 -0.22 3.17 1.43 -1.07 -1.44 118.68 126.75 2nef s LEU 145 Ca 0.01 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 2nef s LEU 145 Cb -0.15 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.52 2nef s LEU 145 CO -0.08 -0.08 0.56 -0.69 0.23 0.00 0.00 176.35 176.30 2nef s VAL 146 N -0.88 -0.01 -0.75 -1.59 1.01 -1.07 -2.69 120.40 114.43 2nef s VAL 146 Ca 0.45 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 2nef s VAL 146 Cb -0.29 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.33 2nef s VAL 146 CO 0.37 0.01 1.18 -2.16 0.00 0.00 0.00 175.10 174.50 2nef s PRO 147 N 1.20 3.22 0.00 2.72 0.04 -1.26 -3.09 135.00 137.82 2nef s PRO 147 Ca -0.07 -0.58 0.28 0.00 0.04 0.00 0.00 61.00 60.67 2nef s PRO 147 Cb -0.06 -4.33 1.37 0.00 0.04 0.00 0.00 34.50 31.51 2nef s PRO 147 CO -0.12 -2.03 1.92 0.28 0.04 0.00 0.00 177.00 177.09 2nef n VAL 148 N 6.23 0.02 -2.46 -0.36 0.31 -1.26 -4.85 118.33 115.95 2nef n VAL 148 Ca 0.04 -0.14 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 2nef n VAL 148 Cb 0.48 0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.98 3.79 0.20 5.55 0.41 -1.26 -5.01 118.70 120.40 2nef s GLU 149 Ca 0.41 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.90 2nef s GLU 149 Cb 0.21 -2.10 -0.08 0.00 -1.78 0.00 0.00 34.13 30.37 2nef s GLU 149 CO 0.34 -0.42 1.22 -1.25 -0.49 0.00 0.00 175.26 174.66 2nef s PRO 150 N -3.52 4.47 -1.10 0.39 0.04 -1.26 -4.88 135.00 129.14 2nef s PRO 150 Ca 0.64 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.35 2nef s PRO 150 Cb -0.14 -3.21 -0.22 0.00 0.04 0.00 0.00 34.50 30.96 2nef s PRO 150 CO 0.24 -0.11 2.09 -0.85 0.04 0.00 0.00 177.00 178.41 2nef n GLU 151 N 2.33 0.28 -1.90 4.56 0.00 -1.26 -4.78 120.64 119.88 2nef n GLU 151 Ca 0.04 -1.80 -0.41 0.00 0.00 0.00 0.00 57.16 54.99 2nef n GLU 151 Cb 0.44 -3.92 -0.01 0.00 0.00 0.00 0.00 31.44 27.95 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2nef n LYS 152 N 8.15 3.69 -0.70 3.44 5.02 -1.26 -4.75 118.16 131.76 2nef n LYS 152 Ca 0.42 -3.02 -0.07 0.00 -2.02 0.00 0.00 58.31 53.62 2nef n LYS 152 Cb 0.47 -2.91 -0.02 0.00 -0.02 0.00 0.00 35.03 32.55 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2nef n LEU 153 N 3.81 5.63 -4.55 -0.35 4.77 -1.26 -4.84 117.00 120.20 2nef n LEU 153 Ca 0.56 -2.79 -0.39 0.00 -0.03 0.00 0.00 56.01 53.36 2nef n LEU 153 Cb 0.31 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 2nef n LEU 153 CO 0.82 1.19 1.36 -1.83 -1.33 0.00 0.00 177.39 177.59 2nef s GLU 154 N -0.33 2.99 -0.29 3.23 -1.05 -1.26 -4.95 118.70 117.04 2nef s GLU 154 Ca 0.19 -0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 54.69 2nef s GLU 154 Cb 0.12 -4.40 -0.00 0.00 -0.44 0.00 0.00 34.13 29.40 2nef s GLU 154 CO -0.01 -2.43 1.36 -2.00 0.95 0.00 0.00 175.26 173.13 2nef s GLU 155 N 6.20 3.88 0.14 -4.83 2.56 -1.26 -4.45 118.70 120.93 2nef s GLU 155 Ca 0.49 1.31 0.00 0.00 0.00 0.00 0.00 54.97 56.77 2nef s GLU 155 Cb -0.09 -3.91 0.00 0.00 2.00 0.00 0.00 34.13 32.13 2nef s GLU 155 CO 0.14 -1.17 0.00 0.00 -0.56 0.00 0.00 175.26 173.67 2nef n ALA 156 N 7.82 0.00 -2.06 6.30 0.00 -1.26 -5.10 120.51 126.21 2nef n ALA 156 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2nef n ALA 156 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 2nef n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nef s ASN 157 N -2.00 6.66 -0.40 0.00 6.03 -1.26 -4.87 114.94 119.10 2nef s ASN 157 Ca 0.00 2.11 -0.01 0.00 -1.03 0.00 0.00 52.86 53.94 2nef s ASN 157 Cb 0.00 -2.53 0.30 0.00 -3.03 0.00 0.00 41.25 35.99 2nef s ASN 157 CO 0.00 -0.95 1.96 0.29 -2.03 0.00 0.00 177.10 176.37 2nef n LYS 158 N 7.14 2.02 0.00 3.55 4.76 -1.26 -4.80 118.16 129.57 2nef n LYS 158 Ca 0.17 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 2nef n LYS 158 Cb 0.43 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2nef n LYS 158 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2nef n ASP 174 N -0.10 0.00 -4.86 4.39 2.03 -1.26 -5.04 116.55 111.71 2nef n ASP 174 Ca 0.39 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.39 2nef n ASP 174 Cb 0.70 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.06 2nef n ASP 174 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2nef s ASP 175 N -1.00 6.60 -0.54 1.67 -4.77 -1.26 -4.96 116.67 112.41 2nef s ASP 175 Ca 0.00 1.27 -0.26 0.00 -3.30 0.00 0.00 52.55 50.26 2nef s ASP 175 Cb 0.00 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 2nef s ASP 175 CO 0.00 -0.41 2.07 -2.16 0.70 0.00 0.00 175.17 175.37 2nef s PRO 176 N -3.73 2.49 -1.57 2.11 0.04 -1.26 -4.87 135.00 128.22 2nef s PRO 176 Ca 0.54 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2nef s PRO 176 Cb -0.10 -4.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 2nef s PRO 176 CO 0.28 -2.86 2.70 -0.85 0.04 0.00 0.00 177.00 176.31 2nef n GLU 177 N 9.06 3.41 -1.86 4.56 0.28 -1.26 -4.94 120.64 129.90 2nef n GLU 177 Ca 0.27 -2.36 -0.29 0.00 -0.16 0.00 0.00 57.16 54.62 2nef n GLU 177 Cb 0.53 -2.97 0.09 0.00 1.43 0.00 0.00 31.44 30.51 2nef n GLU 177 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2nef s ARG 178 N 2.49 2.07 -0.13 3.44 1.70 -1.26 -4.91 118.95 122.35 2nef s ARG 178 Ca 0.62 0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.78 2nef s ARG 178 Cb 0.17 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.57 2nef s ARG 178 CO -0.07 -1.54 1.24 -1.21 -1.08 0.00 0.00 175.30 172.64 2nef s GLU 179 N -5.51 4.27 0.53 3.89 2.02 -1.26 -5.02 118.70 117.62 2nef s GLU 179 Ca 0.61 1.66 -0.05 0.00 0.02 0.00 0.00 54.97 57.21 2nef s GLU 179 Cb -0.11 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.40 2nef s GLU 179 CO 0.50 -0.63 0.83 0.08 0.02 0.00 0.00 175.26 176.06 2nef s VAL 180 N 3.12 4.35 0.12 2.63 1.01 -1.26 -5.04 120.40 125.32 2nef s VAL 180 Ca 0.55 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.71 2nef s VAL 180 Cb -0.22 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2nef s VAL 180 CO 0.17 -0.67 -0.17 -0.76 0.00 0.00 0.00 175.10 173.66 2nef s LEU 181 N -4.84 2.73 0.04 3.92 1.43 -1.22 -4.46 118.68 116.29 2nef s LEU 181 Ca 0.50 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2nef s LEU 181 Cb -0.10 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2nef s LEU 181 CO 0.45 0.18 -0.26 -1.83 0.23 0.00 0.00 176.35 175.11 2nef s GLU 182 N -2.14 1.80 -0.33 1.70 -1.05 -1.18 0.29 118.70 117.78 2nef s GLU 182 Ca 0.18 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.61 2nef s GLU 182 Cb -0.11 -1.97 -0.00 0.00 -0.44 0.00 0.00 34.13 31.62 2nef s GLU 182 CO 0.10 0.51 1.41 -1.58 0.95 0.00 0.00 175.26 176.66 2nef s TRP 183 N -0.80 2.45 -0.55 4.83 0.51 -1.07 -2.59 118.94 121.72 2nef s TRP 183 Ca 0.12 0.73 -0.18 0.00 -2.12 0.00 0.00 56.10 54.65 2nef s TRP 183 Cb -0.10 -4.09 0.10 0.00 -0.81 0.00 0.00 33.47 28.57 2nef s TRP 183 CO 0.02 -2.05 0.60 0.50 -0.51 0.00 0.00 176.95 175.51 2nef s ARG 184 N 4.61 3.04 0.23 4.98 3.52 -0.52 -0.68 118.95 134.13 2nef s ARG 184 Ca 0.61 -1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 2nef s ARG 184 Cb -0.17 -4.22 -0.09 0.00 -1.56 0.00 0.00 34.95 28.91 2nef s ARG 184 CO 0.28 -1.36 1.33 0.12 -0.81 0.00 0.00 175.30 174.86 2nef s PHE 185 N 2.29 3.20 -0.46 5.12 2.19 -1.26 -2.33 117.98 126.73 2nef s PHE 185 Ca 0.09 1.22 0.07 0.00 0.33 0.00 0.00 56.93 58.64 2nef s PHE 185 Cb -0.24 -3.64 0.26 0.00 -1.31 0.00 0.00 43.02 38.09 2nef s PHE 185 CO 0.07 -1.98 0.84 -3.47 1.83 0.00 0.00 175.22 172.51 2nef n ASP 186 N 2.30 -1.96 0.04 6.13 2.03 -0.51 -4.99 116.55 119.60 2nef n ASP 186 Ca 0.05 -3.23 0.01 0.00 0.52 0.00 0.00 54.79 52.14 2nef n ASP 186 Cb 0.42 1.20 0.03 0.00 -0.72 0.00 0.00 41.12 42.05 2nef n ASP 186 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2nef n SER 187 N 1.31 0.03 0.30 1.67 2.88 -1.26 -0.83 113.62 117.72 2nef n SER 187 Ca 0.12 0.17 0.19 0.00 -1.33 0.00 0.00 58.87 58.02 2nef n SER 187 Cb 0.62 -0.13 0.93 0.00 -0.75 0.00 0.00 64.21 64.89 2nef n SER 187 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2nef h ARG 188 N 0.00 0.00 0.00 -1.46 0.11 -1.94 -0.99 114.38 110.11 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2nef h ARG 188 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 2nef h ARG 188 CO 0.00 0.02 0.00 -0.11 0.10 0.00 0.00 179.97 179.98 2nef n LEU 189 N -3.21 0.00 0.00 0.08 0.00 -0.01 -1.59 117.00 112.27 2nef n LEU 189 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 56.01 56.12 2nef n LEU 189 Cb 0.19 -0.02 0.49 0.00 0.00 0.00 0.00 43.42 44.08 2nef n LEU 189 CO 0.25 -0.02 0.84 0.00 0.00 0.00 0.00 177.39 178.46 2nef n ALA 190 N -1.02 2.04 0.00 1.96 0.00 -0.37 -4.07 120.51 119.04 2nef n ALA 190 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 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 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.40 0.00 -1.40 0.00 1.16 -0.62 -4.99 117.46 110.21 2nef n PHE 191 Ca 0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.35 2nef n PHE 191 Cb 0.21 0.00 0.23 0.00 -1.61 0.00 0.00 39.48 38.32 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2nef s HIS 192 N -1.00 0.58 -0.49 2.97 2.46 -0.99 -5.05 115.29 113.76 2nef s HIS 192 Ca 0.00 0.33 0.06 0.00 0.47 0.00 0.00 55.06 55.92 2nef s HIS 192 Cb 0.00 -3.79 0.21 0.00 -0.13 0.00 0.00 32.58 28.88 2nef s HIS 192 CO 0.00 -3.61 0.77 -2.39 -2.47 0.00 0.00 174.74 167.04 2nef n HIS 193 N -4.49 -3.31 -0.06 3.88 1.44 -1.26 -4.83 115.22 106.60 2nef n HIS 193 Ca 0.16 -1.75 -0.15 0.00 -2.01 0.00 0.00 57.72 53.97 2nef n HIS 193 Cb 0.60 1.37 -0.13 0.00 0.12 0.00 0.00 29.99 31.94 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 4.54 0.04 -0.32 -1.40 2.86 -1.96 -3.27 114.93 115.41 2nef h MET 194 Ca -0.02 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2nef h MET 194 Cb 1.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2nef h MET 194 CO 0.19 1.03 0.45 0.00 1.06 0.00 0.00 176.91 179.64 2nef h ALA 195 N -0.01 1.95 -0.20 6.32 0.00 -1.95 0.19 119.26 125.57 2nef h ALA 195 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2nef h ALA 195 Cb 1.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2nef h ALA 195 CO 0.01 -0.62 -0.59 -0.09 0.00 0.00 0.00 179.25 177.96 2nef h ARG 196 N 0.00 0.67 0.00 0.00 2.43 -1.91 -2.87 114.38 112.69 2nef h ARG 196 Ca 0.15 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2nef h ARG 196 Cb 1.06 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2nef h ARG 196 CO -0.00 1.06 -0.06 1.49 -1.51 0.00 0.00 179.97 180.95 2nef h GLU 197 N 0.50 0.00 0.00 0.20 4.81 -0.71 -3.19 114.58 116.19 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 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2nef h GLU 197 CO 0.12 0.06 0.00 1.28 -0.73 0.00 0.00 179.01 179.74 2nef n LEU 198 N -3.17 0.14 -3.28 1.64 4.77 -1.08 -4.83 117.00 111.20 2nef n LEU 198 Ca 0.01 0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 56.34 2nef n LEU 198 Cb 0.37 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 2nef n LEU 198 CO 0.30 -0.47 -0.21 -1.00 -1.33 0.00 0.00 177.39 174.68 2nef s HIS 199 N -1.28 0.31 -0.56 -1.77 3.76 -1.15 -4.96 115.29 109.64 2nef s HIS 199 Ca 0.00 -1.68 0.24 0.00 -0.15 0.00 0.00 55.06 53.47 2nef s HIS 199 Cb 0.00 -0.60 0.37 0.00 1.11 0.00 0.00 32.58 33.46 2nef s HIS 199 CO 0.00 -0.94 1.39 -1.00 -0.85 0.00 0.00 174.74 173.34 2nef h PRO 200 N 5.89 0.00 0.00 8.40 0.13 -1.75 -3.34 132.00 141.34 2nef h PRO 200 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2nef h PRO 200 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2nef h PRO 200 CO 0.26 0.00 0.20 -0.85 -0.23 0.00 0.00 178.00 177.38 2nef n GLU 201 N -2.36 0.03 0.09 0.86 0.28 -1.26 -0.30 120.64 117.98 2nef n GLU 201 Ca 0.03 0.41 -0.16 0.00 -0.16 0.00 0.00 57.16 57.28 2nef n GLU 201 Cb 0.47 -1.81 -0.11 0.00 1.43 0.00 0.00 31.44 31.43 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2nef h TYR 202 N 0.00 0.59 -3.50 -1.84 -1.99 -2.01 -3.41 116.97 104.81 2nef h TYR 202 Ca 0.00 -0.39 -0.65 0.00 2.00 0.00 0.00 58.73 59.69 2nef h TYR 202 Cb 0.40 -0.04 -0.15 0.00 2.00 0.00 0.00 36.73 38.94 2nef h TYR 202 CO 0.00 1.26 0.18 -0.06 -0.00 0.00 0.00 178.16 179.54 2nef s PHE 203 N -2.88 3.03 -1.03 4.88 0.08 0.59 -4.99 117.98 117.66 2nef s PHE 203 Ca -0.05 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 2nef s PHE 203 Cb 0.07 -3.48 0.20 0.00 -0.57 0.00 0.00 43.02 39.24 2nef s PHE 203 CO 0.88 -0.96 1.14 0.21 -0.10 0.00 0.00 175.22 176.39 2nef s LYS 204 N 2.94 3.89 0.00 0.44 2.20 -1.26 -4.89 119.74 123.06 2nef s LYS 204 Ca 0.23 -2.49 0.00 0.00 -0.36 0.00 0.00 55.97 53.34 2nef s LYS 204 Cb -0.15 -4.77 0.00 0.00 -1.51 0.00 0.00 37.83 31.40 2nef s LYS 204 CO 0.18 -1.54 0.00 0.09 -0.36 0.00 0.00 175.35 173.72 2nef n ASN 205 N 4.83 0.00 -0.08 1.43 3.02 -1.26 -5.25 115.26 117.95 2nef n ASN 205 Ca 0.25 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.96 2nef n ASN 205 Cb 0.44 0.00 0.87 0.00 -0.61 0.00 0.00 39.78 40.49 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64