#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 0.07 0.25 0.00 5.08 -1.98 -3.30 115.95 116.07 2nef h TRP 57 Ca 0.00 -0.03 -0.34 0.00 1.08 0.00 0.00 58.89 59.60 2nef h TRP 57 Cb 0.00 -0.01 0.04 0.00 -3.00 0.00 0.00 29.16 26.19 2nef h TRP 57 CO 0.00 0.68 -1.50 1.25 -1.28 0.00 0.00 178.44 177.59 2nef h LEU 58 N -0.56 0.84 -3.64 0.11 5.85 -1.98 -3.29 115.31 112.63 2nef h LEU 58 Ca -0.00 -0.91 -0.06 0.00 0.84 0.00 0.00 57.88 57.74 2nef h LEU 58 Cb 0.68 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2nef h LEU 58 CO 0.01 1.72 -0.08 -0.62 -0.34 0.00 0.00 178.44 179.12 2nef n GLU 59 N -3.71 1.12 -2.13 1.25 -0.58 -1.25 -4.82 120.64 110.52 2nef n GLU 59 Ca -0.17 -0.33 -0.36 0.00 -0.42 0.00 0.00 57.16 55.88 2nef n GLU 59 Cb 1.11 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 30.50 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef s ALA 60 N 0.85 2.12 -0.27 0.62 0.00 -1.24 -4.74 121.76 119.10 2nef s ALA 60 Ca 0.22 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2nef s ALA 60 Cb 0.11 -4.38 -0.14 0.00 0.00 0.00 0.00 23.12 18.70 2nef s ALA 60 CO 0.00 -4.08 -0.26 0.94 0.00 0.00 0.00 175.76 172.36 2nef n GLN 61 N 9.10 0.60 0.00 0.00 -0.06 -1.26 -4.91 117.38 120.85 2nef n GLN 61 Ca 0.25 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 2nef n GLN 61 Cb 0.50 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 25.15 2nef n GLN 61 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2nef n GLU 62 N -4.10 0.69 -2.94 3.69 2.13 -1.26 -4.96 120.64 113.88 2nef n GLU 62 Ca -0.51 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 56.88 2nef n GLU 62 Cb 0.89 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2nef n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nef n GLU 63 N -0.42 3.77 0.00 5.31 4.07 -1.26 -4.71 120.64 127.40 2nef n GLU 63 Ca 0.00 -4.14 0.13 0.00 -0.06 0.00 0.00 57.16 53.10 2nef n GLU 63 Cb 0.00 -2.74 0.38 0.00 -0.06 0.00 0.00 31.44 29.02 2nef n GLU 63 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2nef n GLU 64 N 3.29 1.70 -2.03 5.31 0.00 -1.26 -4.93 120.64 122.72 2nef n GLU 64 Ca 0.31 -1.14 -0.34 0.00 0.00 0.00 0.00 57.16 55.99 2nef n GLU 64 Cb 0.38 -1.48 0.02 0.00 0.00 0.00 0.00 31.44 30.36 2nef n GLU 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2nef s GLU 65 N -2.09 3.11 -0.32 3.44 2.12 -1.26 -4.97 118.70 118.73 2nef s GLU 65 Ca 0.33 1.49 0.16 0.00 0.36 0.00 0.00 54.97 57.31 2nef s GLU 65 Cb 0.20 -1.98 0.45 0.00 0.26 0.00 0.00 34.13 33.06 2nef s GLU 65 CO 0.36 -1.02 1.28 0.28 -0.54 0.00 0.00 175.26 175.62 2nef n VAL 66 N -1.83 0.55 1.26 3.70 0.31 -1.26 -4.92 118.33 116.14 2nef n VAL 66 Ca 0.11 -2.02 0.00 0.00 -0.01 0.00 0.00 64.34 62.42 2nef n VAL 66 Cb 0.51 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 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 -0.84 0.83 3.85 2.92 0.00 -1.26 -4.83 105.19 105.85 2nef n GLY 67 Ca -0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.28 3.45 -0.76 1.61 0.40 -1.26 -4.99 117.98 115.14 2nef s PHE 68 Ca 0.00 1.15 -0.26 0.00 -0.60 0.00 0.00 56.93 57.22 2nef s PHE 68 Cb 0.00 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 41.07 2nef s PHE 68 CO 0.00 0.20 1.61 -1.25 0.70 0.00 0.00 175.22 176.48 2nef s PRO 69 N -2.69 2.96 0.00 0.24 0.04 -1.26 -4.99 135.00 129.29 2nef s PRO 69 Ca 0.49 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2nef s PRO 69 Cb -0.12 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.86 2nef s PRO 69 CO 0.19 -2.55 0.00 1.33 0.04 0.00 0.00 177.00 176.01 2nef n VAL 70 N 6.97 0.00 -3.04 -0.36 0.24 -1.26 -5.01 118.33 115.88 2nef n VAL 70 Ca 0.19 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.07 2nef n VAL 70 Cb 0.50 -1.64 -0.06 0.00 -1.47 0.00 0.00 33.84 31.17 2nef n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2nef s THR 71 N 0.20 4.79 0.00 3.34 -4.23 -1.25 -5.05 115.64 113.44 2nef s THR 71 Ca 0.00 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2nef s THR 71 Cb 0.00 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.66 2nef s THR 71 CO 0.00 -0.46 0.00 -0.81 -0.54 0.00 0.00 174.62 172.81 2nef n PRO 72 N 6.31 0.68 -1.52 3.99 -0.04 -1.26 -3.46 135.00 139.70 2nef n PRO 72 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2nef n PRO 72 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.30 0.32 -2.96 0.54 6.02 -1.26 -4.76 117.38 114.98 2nef n GLN 73 Ca 0.00 -0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.61 2nef n GLN 73 Cb 0.00 -2.13 -0.02 0.00 1.02 0.00 0.00 30.24 29.10 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 8.75 4.90 -0.33 5.09 -7.23 -1.26 -4.93 120.40 125.39 2nef s VAL 74 Ca 1.21 0.31 -0.33 0.00 -1.81 0.00 0.00 61.98 61.36 2nef s VAL 74 Cb -0.79 -3.77 -0.14 0.00 0.56 0.00 0.00 36.38 32.24 2nef s VAL 74 CO 0.40 -0.55 1.10 -2.65 -0.31 0.00 0.00 175.10 173.09 2nef n PRO 75 N -1.46 0.00 -1.62 4.82 -0.02 -1.26 -4.66 135.00 130.80 2nef n PRO 75 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 2nef n PRO 75 Cb 0.54 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.94 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 1.98 3.29 0.47 2.45 1.43 -1.26 -4.94 118.68 122.10 2nef s LEU 76 Ca 0.73 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 2nef s LEU 76 Cb -1.04 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 2nef s LEU 76 CO 0.56 -3.02 0.88 -0.13 0.23 0.00 0.00 176.35 174.86 2nef s ARG 77 N 8.24 3.80 0.10 1.70 0.52 -1.26 -5.03 118.95 127.02 2nef s ARG 77 Ca 0.93 0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 2nef s ARG 77 Cb -0.15 -2.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.99 2nef s ARG 77 CO 0.21 -0.19 1.12 -1.25 0.02 0.00 0.00 175.30 175.21 2nef s PRO 78 N -4.14 4.52 -0.18 3.54 0.04 -1.26 -4.82 135.00 132.70 2nef s PRO 78 Ca 0.54 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 2nef s PRO 78 Cb -0.10 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2nef s PRO 78 CO 0.35 -0.08 1.84 1.41 0.04 0.00 0.00 177.00 180.56 2nef s MET 79 N 0.47 3.66 0.03 4.56 1.75 -1.26 -4.97 119.30 123.53 2nef s MET 79 Ca 0.54 1.90 -0.17 0.00 -1.25 0.00 0.00 55.69 56.71 2nef s MET 79 Cb -0.28 -4.16 -0.06 0.00 2.84 0.00 0.00 34.83 33.17 2nef s MET 79 CO 0.31 -1.48 0.49 0.95 -0.65 0.00 0.00 175.02 174.64 2nef s THR 80 N 5.97 4.90 0.28 10.11 -4.23 -1.26 -4.93 115.64 126.48 2nef s THR 80 Ca 0.82 1.03 0.02 0.00 -1.18 0.00 0.00 61.69 62.38 2nef s THR 80 Cb -0.30 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.00 2nef s THR 80 CO 0.33 0.55 1.74 0.22 -0.54 0.00 0.00 174.62 176.93 2nef h TYR 81 N 4.74 0.80 -0.54 3.99 3.20 -1.93 2.29 116.97 129.52 2nef h TYR 81 Ca -0.50 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 2nef h TYR 81 Cb 1.21 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2nef h TYR 81 CO 0.69 0.12 0.29 -0.22 -1.64 0.00 0.00 178.16 177.40 2nef h LYS 82 N 0.58 0.74 -0.02 1.82 1.63 -1.97 -1.23 116.57 118.12 2nef h LYS 82 Ca 0.52 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 60.14 2nef h LYS 82 Cb 0.85 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2nef h LYS 82 CO -0.42 0.55 -0.47 0.00 -3.45 0.00 0.00 179.45 175.66 2nef h ALA 83 N 1.57 1.17 0.63 5.00 0.00 0.33 -1.69 119.26 126.28 2nef h ALA 83 Ca 0.19 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2nef h ALA 83 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2nef h ALA 83 CO -0.03 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.52 2nef h ALA 84 N 1.48 -0.90 -0.83 0.00 0.00 0.44 -0.42 119.26 119.03 2nef h ALA 84 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2nef h ALA 84 Cb 0.85 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2nef h ALA 84 CO 0.06 -0.84 0.45 0.28 0.00 0.00 0.00 179.25 179.21 2nef h VAL 85 N -1.16 1.25 -0.27 0.00 2.07 -1.50 0.11 116.25 116.75 2nef h VAL 85 Ca -0.09 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2nef h VAL 85 Cb 0.65 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2nef h VAL 85 CO 0.14 0.28 0.15 0.44 0.02 0.00 0.00 177.57 178.60 2nef h ASP 86 N 1.16 0.25 -0.70 0.57 5.19 -1.34 -1.63 116.42 119.92 2nef h ASP 86 Ca 0.29 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 2nef h ASP 86 Cb 0.04 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 2nef h ASP 86 CO -0.05 0.18 0.37 0.25 -3.12 0.00 0.00 179.24 176.87 2nef h LEU 87 N 0.32 0.88 -0.58 1.55 5.85 -0.50 0.91 115.31 123.74 2nef h LEU 87 Ca 0.11 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2nef h LEU 87 Cb 0.00 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 2nef h LEU 87 CO -0.05 0.73 0.14 0.77 -0.34 0.00 0.00 178.44 179.69 2nef h SER 88 N 0.96 0.05 -0.02 1.25 4.64 0.00 -1.08 113.55 119.35 2nef h SER 88 Ca 0.24 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 2nef h SER 88 Cb 0.06 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2nef h SER 88 CO -0.04 0.04 -0.66 0.45 -0.87 0.00 0.00 176.83 175.75 2nef h HIS 89 N 0.28 0.84 0.26 4.77 3.86 -0.84 -2.66 115.15 121.67 2nef h HIS 89 Ca 0.30 -0.34 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2nef h HIS 89 Cb 0.42 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 2nef h HIS 89 CO -0.23 1.13 -0.47 0.35 0.86 0.00 0.00 177.93 179.57 2nef h PHE 90 N 0.47 -1.33 0.00 2.45 3.57 0.34 0.05 116.94 122.50 2nef h PHE 90 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2nef h PHE 90 Cb 1.25 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 2nef h PHE 90 CO 0.06 -0.59 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.47 2nef h LEU 91 N -0.80 0.00 0.17 0.59 3.38 -1.30 -2.82 115.31 114.52 2nef h LEU 91 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2nef h LEU 91 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2nef h LEU 91 CO -0.18 0.02 -0.08 0.50 0.09 0.00 0.00 178.44 178.78 2nef h LYS 92 N 0.00 -0.22 0.24 1.13 3.64 -0.61 1.50 116.57 122.25 2nef h LYS 92 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2nef h LYS 92 Cb 0.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2nef h LYS 92 CO 0.00 -0.13 -0.11 0.93 -2.27 0.00 0.00 179.45 177.87 2nef h GLU 93 N -0.25 -0.31 -0.01 1.90 4.39 -1.27 -3.38 114.58 115.66 2nef h GLU 93 Ca -0.02 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2nef h GLU 93 Cb 0.19 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2nef h GLU 93 CO 0.04 -0.20 -0.56 0.87 -1.16 0.00 0.00 179.01 178.00 2nef h LYS 94 N -0.48 0.40 -7.16 2.33 1.57 -1.62 -3.45 116.57 108.15 2nef h LYS 94 Ca -0.03 -0.41 -0.47 0.00 -1.87 0.00 0.00 60.65 57.86 2nef h LYS 94 Cb 0.24 0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.70 2nef h LYS 94 CO 0.05 1.08 0.37 0.20 -0.57 0.00 0.00 179.45 180.59 2nef s GLY 95 N -4.04 2.19 -0.36 3.86 0.00 0.51 -4.99 107.32 104.49 2nef s GLY 95 Ca -0.13 0.34 0.11 0.00 0.00 0.00 0.00 44.72 45.03 2nef s GLY 95 CO 0.82 0.64 1.09 0.61 0.00 0.00 0.00 173.10 176.25 2nef n GLY 96 N -1.08 4.54 0.10 0.20 0.00 -1.25 -4.21 105.19 103.49 2nef n GLY 96 Ca 0.08 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 2.60 0.35 -9.45 0.99 5.85 -1.93 -3.42 115.31 110.30 2nef h LEU 97 Ca 0.17 -0.38 -0.61 0.00 0.84 0.00 0.00 57.88 57.90 2nef h LEU 97 Cb 1.15 -0.11 0.11 0.00 0.37 0.00 0.00 40.66 42.18 2nef h LEU 97 CO 0.67 1.30 0.07 1.21 -0.34 0.00 0.00 178.44 181.36 2nef n GLU 98 N -3.49 1.25 -0.67 1.25 2.13 -1.26 -0.21 120.64 119.63 2nef n GLU 98 Ca -0.08 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2nef n GLU 98 Cb 1.01 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.93 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 1.28 0.25 3.65 8.31 0.00 0.85 -4.88 105.19 114.65 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 4.06 -0.33 0.99 2.96 0.70 -4.65 118.68 122.41 2nef s LEU 100 Ca 0.00 1.53 -0.27 0.00 -0.22 0.00 0.00 54.13 55.17 2nef s LEU 100 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -0.92 2.25 -0.63 -1.32 0.00 0.00 176.35 175.73 2nef s ILE 101 N 3.96 3.04 -0.43 6.68 -1.09 -1.26 -2.01 121.20 130.09 2nef s ILE 101 Ca 0.57 0.04 -0.28 0.00 -2.23 0.00 0.00 60.65 58.75 2nef s ILE 101 Cb -0.20 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 2nef s ILE 101 CO 0.19 -0.06 1.85 -2.28 -1.23 0.00 0.00 174.94 173.42 2nef s HIS 102 N 9.57 1.72 -0.01 3.97 5.65 1.03 -4.87 115.29 132.35 2nef s HIS 102 Ca 0.97 0.73 -0.03 0.00 0.25 0.00 0.00 55.06 56.99 2nef s HIS 102 Cb -0.26 -4.08 -0.02 0.00 -1.18 0.00 0.00 32.58 27.03 2nef s HIS 102 CO 0.32 -2.71 0.45 0.77 -0.65 0.00 0.00 174.74 172.92 2nef h SER 103 N 13.92 -0.09 0.00 9.88 0.02 -1.90 -3.17 113.55 132.22 2nef h SER 103 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2nef h SER 103 Cb 1.17 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2nef h SER 103 CO 1.10 -0.01 0.00 1.67 -1.14 0.00 0.00 176.83 178.45 2nef n GLN 104 N -2.58 0.00 0.10 3.45 0.00 -1.26 -4.51 117.38 112.58 2nef n GLN 104 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.11 2nef n GLN 104 Cb 0.04 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.48 2nef n GLN 104 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2nef h ARG 105 N 0.00 0.00 -0.79 3.69 0.11 -2.01 -3.33 114.38 112.06 2nef h ARG 105 Ca 0.00 0.00 0.23 0.00 0.10 0.00 0.00 59.98 60.31 2nef h ARG 105 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2nef h ARG 105 CO 0.00 0.00 0.58 0.00 0.10 0.00 0.00 179.97 180.65 2nef h ARG 106 N 0.00 0.00 -0.37 0.08 2.47 -1.95 0.31 114.38 114.92 2nef h ARG 106 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2nef h ARG 106 Cb 0.81 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 2nef h ARG 106 CO 0.00 0.00 0.11 0.37 0.56 0.00 0.00 179.97 181.01 2nef h GLN 107 N 0.00 0.58 -0.94 0.04 -0.00 -1.98 -2.67 115.11 110.15 2nef h GLN 107 Ca 0.37 -0.13 0.06 0.00 -0.00 0.00 0.00 58.65 58.95 2nef h GLN 107 Cb 1.53 -0.08 -0.06 0.00 0.00 0.00 0.00 27.48 28.86 2nef h GLN 107 CO -0.00 0.61 0.61 -0.44 0.00 0.00 0.00 178.83 179.60 2nef h ASP 108 N 0.45 0.96 -0.04 -0.69 3.32 -1.19 -2.41 116.42 116.83 2nef h ASP 108 Ca 0.12 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.21 2nef h ASP 108 Cb 0.27 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2nef h ASP 108 CO -0.00 0.62 -0.26 0.40 -1.72 0.00 0.00 179.24 178.28 2nef h ILE 109 N 1.10 0.40 0.00 0.35 2.04 -1.35 0.12 117.51 120.17 2nef h ILE 109 Ca 0.40 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.26 2nef h ILE 109 Cb 0.16 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2nef h ILE 109 CO -0.15 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.10 2nef h LEU 110 N -0.38 -0.46 -0.78 1.44 5.85 -1.36 0.36 115.31 119.99 2nef h LEU 110 Ca 0.07 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.02 2nef h LEU 110 Cb 0.49 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2nef h LEU 110 CO -0.26 -0.14 0.25 0.44 -0.34 0.00 0.00 178.44 178.39 2nef h ASP 111 N -0.19 0.14 0.61 1.25 3.32 -1.40 -1.22 116.42 118.94 2nef h ASP 111 Ca 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2nef h ASP 111 Cb 0.20 0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.92 2nef h ASP 111 CO -0.10 -0.00 -0.29 0.25 -1.72 0.00 0.00 179.24 177.37 2nef h LEU 112 N 0.33 -0.70 -0.66 1.55 6.46 -0.05 -2.21 115.31 120.04 2nef h LEU 112 Ca 0.45 -0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.33 2nef h LEU 112 Cb 0.79 0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 40.79 2nef h LEU 112 CO -0.50 -0.40 0.06 -0.25 -0.62 0.00 0.00 178.44 176.72 2nef h TRP 113 N -0.97 0.06 -0.34 1.25 7.01 0.26 0.89 115.95 124.11 2nef h TRP 113 Ca -0.08 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.05 2nef h TRP 113 Cb 0.67 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2nef h TRP 113 CO -0.01 -0.14 0.24 0.82 -2.79 0.00 0.00 178.44 176.57 2nef h ILE 114 N 0.17 0.85 0.15 2.65 2.04 -1.10 -2.84 117.51 119.43 2nef h ILE 114 Ca 0.35 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 2nef h ILE 114 Cb 0.58 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2nef h ILE 114 CO -0.52 0.01 -0.07 0.22 0.00 0.00 0.00 178.15 177.78 2nef h TYR 115 N 0.05 -0.19 0.00 1.37 3.20 0.14 0.28 116.97 121.82 2nef h TYR 115 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2nef h TYR 115 Cb 0.59 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2nef h TYR 115 CO -0.00 -0.12 0.00 0.72 -1.64 0.00 0.00 178.16 177.12 2nef n HIS 116 N -2.77 0.00 0.00 -3.82 8.25 -1.03 -1.70 115.22 114.15 2nef n HIS 116 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2nef n HIS 116 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.11 1.59 -2.24 -1.08 -3.84 114.28 108.24 2nef n THR 117 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2nef n THR 117 Cb 0.00 -0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.36 0.00 -0.78 4.20 -0.66 -3.45 115.11 114.78 2nef h GLN 118 Ca 0.00 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 58.09 2nef h GLN 118 Cb 0.00 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2nef h GLN 118 CO 0.00 1.28 0.00 0.41 -0.67 0.00 0.00 178.83 179.85 2nef n GLY 119 N 1.64 0.61 3.72 3.46 0.00 0.29 -4.57 105.19 110.34 2nef n GLY 119 Ca -0.14 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 3.49 0.25 1.61 2.02 -1.26 -4.72 117.35 116.75 2nef s TYR 120 Ca 0.00 1.41 -0.30 0.00 -0.37 0.00 0.00 57.07 57.81 2nef s TYR 120 Cb 0.00 -3.36 -0.09 0.00 -0.40 0.00 0.00 41.96 38.11 2nef s TYR 120 CO 0.00 -1.01 1.18 -0.59 -1.57 0.00 0.00 175.55 173.56 2nef s PHE 121 N 0.74 3.42 -0.72 2.71 -0.12 -1.26 -4.65 117.98 118.10 2nef s PHE 121 Ca 0.56 1.54 -0.27 0.00 -0.05 0.00 0.00 56.93 58.71 2nef s PHE 121 Cb -0.29 -3.41 0.02 0.00 -0.63 0.00 0.00 43.02 38.71 2nef s PHE 121 CO 0.31 -1.04 1.36 -1.25 -0.05 0.00 0.00 175.22 174.54 2nef s PRO 122 N -1.05 3.12 0.00 1.99 0.04 -1.26 -4.59 135.00 133.25 2nef s PRO 122 Ca 0.48 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2nef s PRO 122 Cb -0.34 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.00 2nef s PRO 122 CO 0.42 -2.23 0.68 -0.40 0.04 0.00 0.00 177.00 175.51 2nef n ASP 123 N 9.83 -0.02 0.00 6.66 5.75 -1.26 -4.86 116.55 132.66 2nef n ASP 123 Ca 0.05 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 2nef n ASP 123 Cb 0.49 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.01 0.00 -2.45 2.11 4.27 -1.26 -4.98 117.44 115.14 2nef n TRP 124 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 2nef n TRP 124 Cb 0.58 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.51 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -1.84 3.76 0.28 -2.67 0.00 -1.26 -4.56 119.66 113.37 2nef s GLN 125 Ca 0.00 0.97 -0.14 0.00 -0.00 0.00 0.00 55.36 56.18 2nef s GLN 125 Cb 0.00 -3.93 0.01 0.00 0.00 0.00 0.00 33.01 29.09 2nef s GLN 125 CO 0.00 -1.33 0.58 -0.80 0.00 0.00 0.00 175.29 173.74 2nef s ASN 126 N 3.07 -0.03 0.25 12.60 0.01 -1.26 -5.08 114.94 124.50 2nef s ASN 126 Ca 0.55 -0.92 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 2nef s ASN 126 Cb -0.13 0.66 0.04 0.00 0.41 0.00 0.00 41.25 42.23 2nef s ASN 126 CO 0.28 -1.27 0.82 -0.31 -1.51 0.00 0.00 177.10 175.11 2nef s TYR 127 N -3.72 -0.11 0.54 2.20 1.51 -1.26 -2.81 117.35 113.69 2nef s TYR 127 Ca 0.19 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.71 2nef s TYR 127 Cb -0.03 0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 42.48 2nef s TYR 127 CO 0.10 -1.15 1.29 0.95 -1.11 0.00 0.00 175.55 175.63 2nef s THR 128 N -3.41 2.39 -0.89 -0.71 -4.23 -1.08 -4.75 115.64 102.96 2nef s THR 128 Ca 0.13 0.28 -0.25 0.00 -1.18 0.00 0.00 61.69 60.67 2nef s THR 128 Cb -0.04 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.70 2nef s THR 128 CO 0.06 -0.01 1.40 -2.16 -0.54 0.00 0.00 174.62 173.37 2nef s PRO 129 N -2.93 3.38 0.00 3.99 0.04 -1.26 -4.90 135.00 133.32 2nef s PRO 129 Ca 0.71 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2nef s PRO 129 Cb -0.36 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2nef s PRO 129 CO 0.42 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.65 2nef n GLY 130 N 6.23 1.44 0.00 0.56 0.00 -1.26 -5.17 105.19 106.98 2nef n GLY 130 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.34 0.31 0.00 1.61 -0.04 -1.26 -4.89 135.00 130.39 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 4.60 1.01 3.15 0.55 0.00 -1.26 -4.71 105.19 108.52 2nef n GLY 132 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.75 119.36 115.00 2nef n ILE 133 Ca 0.00 -0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.62 2nef n ILE 133 Cb 0.00 -0.45 -0.01 0.00 -0.71 0.00 0.00 39.64 38.47 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 -3.15 0.31 0.32 0.38 3.52 -0.88 -4.91 118.95 114.54 2nef s ARG 134 Ca 0.46 0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 56.37 2nef s ARG 134 Cb -0.06 0.25 -0.09 0.00 -1.56 0.00 0.00 34.95 33.50 2nef s ARG 134 CO 0.57 -0.41 0.75 0.71 -0.81 0.00 0.00 175.30 176.11 2nef s TYR 135 N 2.92 3.40 -0.11 5.12 1.51 -1.26 -1.59 117.35 127.35 2nef s TYR 135 Ca 0.10 1.27 -0.30 0.00 -1.01 0.00 0.00 57.07 57.14 2nef s TYR 135 Cb -0.10 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 2nef s TYR 135 CO -0.17 0.11 1.30 -1.25 -1.11 0.00 0.00 175.55 174.42 2nef s PRO 136 N -2.87 4.27 0.09 -1.71 0.04 -1.26 -2.64 135.00 130.92 2nef s PRO 136 Ca 0.53 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 2nef s PRO 136 Cb -0.11 -3.71 -0.14 0.00 0.04 0.00 0.00 34.50 30.59 2nef s PRO 136 CO 0.18 -0.63 1.70 -0.07 0.04 0.00 0.00 177.00 178.21 2nef h LEU 137 N 9.19 0.06-10.18 -3.56 3.38 -1.81 -3.43 115.31 108.95 2nef h LEU 137 Ca -0.31 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.09 2nef h LEU 137 Cb 1.13 -0.01 0.13 0.00 0.09 0.00 0.00 40.66 42.00 2nef h LEU 137 CO 0.94 0.09 0.39 0.42 0.09 0.00 0.00 178.44 180.36 2nef s THR 138 N -6.00 2.76 0.28 0.22 -4.23 -1.26 -5.02 115.64 102.39 2nef s THR 138 Ca -0.13 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 2nef s THR 138 Cb 0.06 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2nef s THR 138 CO 0.67 -0.20 0.46 0.12 -0.54 0.00 0.00 174.62 175.13 2nef s PHE 139 N -2.13 3.48 0.00 3.99 5.36 -1.26 -4.41 117.98 123.01 2nef s PHE 139 Ca 0.71 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 2nef s PHE 139 Cb -0.25 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 2nef s PHE 139 CO 0.43 0.27 0.00 0.41 -1.46 0.00 0.00 175.22 174.86 2nef n GLY 140 N -1.29 2.97 3.55 13.12 0.00 -1.26 -4.93 105.19 117.35 2nef n GLY 140 Ca -0.05 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.31 2.14 -0.21 1.61 -0.00 -1.26 -3.44 118.94 117.46 2nef s TRP 141 Ca 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 56.10 56.12 2nef s TRP 141 Cb 0.00 -4.46 0.00 0.00 -0.00 0.00 0.00 33.47 29.02 2nef s TRP 141 CO 0.00 -2.07 2.63 0.00 -0.00 0.00 0.00 176.95 177.52 2nef s TYR 143 N -0.69 2.05 -0.01 0.00 5.04 -1.26 -1.49 117.35 120.97 2nef s TYR 143 Ca 0.41 -0.67 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 2nef s TYR 143 Cb 0.25 -1.37 -0.01 0.00 0.35 0.00 0.00 41.96 41.18 2nef s TYR 143 CO -0.06 -0.24 -0.12 -1.59 -1.34 0.00 0.00 175.55 172.20 2nef s LYS 144 N 0.11 0.99 0.43 4.97 -2.85 -1.17 -4.01 119.74 118.22 2nef s LYS 144 Ca -0.08 -0.41 -0.23 0.00 -1.00 0.00 0.00 55.97 54.25 2nef s LYS 144 Cb -0.14 -0.95 -0.08 0.00 -2.06 0.00 0.00 37.83 34.60 2nef s LYS 144 CO 0.04 0.23 1.12 -0.51 0.10 0.00 0.00 175.35 176.33 2nef s LEU 145 N -0.19 4.07 -0.22 2.77 1.43 -0.62 -2.55 118.68 123.36 2nef s LEU 145 Ca 0.03 2.20 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 2nef s LEU 145 Cb -0.05 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 42.02 2nef s LEU 145 CO -0.00 -0.74 0.57 -0.69 0.23 0.00 0.00 176.35 175.72 2nef s VAL 146 N -1.59 -0.01 0.79 -1.59 1.01 -1.14 -2.07 120.40 115.80 2nef s VAL 146 Ca 0.61 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 2nef s VAL 146 Cb -0.26 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.37 2nef s VAL 146 CO 0.32 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.36 2nef s PRO 147 N 0.86 2.14 0.15 2.72 0.04 -1.26 -3.01 135.00 136.64 2nef s PRO 147 Ca -0.04 0.76 -0.22 0.00 0.04 0.00 0.00 61.00 61.54 2nef s PRO 147 Cb -0.05 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2nef s PRO 147 CO -0.07 -1.61 0.69 0.08 0.04 0.00 0.00 177.00 176.13 2nef s VAL 148 N -3.08 4.55 -0.05 -0.36 1.01 -1.26 -4.97 120.40 116.24 2nef s VAL 148 Ca 0.61 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 2nef s VAL 148 Cb -0.15 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2nef s VAL 148 CO 0.55 0.44 1.49 -1.61 0.00 0.00 0.00 175.10 175.97 2nef s GLU 149 N -1.40 4.23 -0.00 2.72 2.02 -1.26 -4.87 118.70 120.14 2nef s GLU 149 Ca 0.36 2.02 0.01 0.00 0.02 0.00 0.00 54.97 57.38 2nef s GLU 149 Cb -0.20 -3.77 0.03 0.00 0.10 0.00 0.00 34.13 30.29 2nef s GLU 149 CO 0.22 -0.72 0.84 -0.35 0.02 0.00 0.00 175.26 175.28 2nef n PRO 150 N 6.29 1.09 -1.33 0.39 -0.04 -1.26 -4.90 135.00 135.24 2nef n PRO 150 Ca 0.15 -0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 2nef n PRO 150 Cb 0.43 -1.21 0.10 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.63 1.97 -0.80 0.54 2.02 -1.26 -4.87 118.70 114.68 2nef s GLU 151 Ca 0.02 1.78 -0.06 0.00 0.02 0.00 0.00 54.97 56.72 2nef s GLU 151 Cb 0.01 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 2nef s GLU 151 CO 0.01 -1.96 2.97 1.63 0.02 0.00 0.00 175.26 177.92 2nef n LYS 152 N -2.89 3.11 -1.63 1.61 5.02 -1.26 -4.77 118.16 117.35 2nef n LYS 152 Ca 0.14 -2.20 -0.40 0.00 -2.02 0.00 0.00 58.31 53.83 2nef n LYS 152 Cb 0.50 -2.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 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 2.15 8.24 -4.79 -0.35 4.77 -1.26 -4.95 117.00 120.81 2nef n LEU 153 Ca 0.57 -4.53 -0.35 0.00 -0.03 0.00 0.00 56.01 51.68 2nef n LEU 153 Cb 0.51 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 2nef n LEU 153 CO 0.48 1.94 0.75 -1.61 -1.33 0.00 0.00 177.39 177.61 2nef s GLU 154 N 1.12 3.72 0.14 3.23 0.41 -1.26 -4.86 118.70 121.19 2nef s GLU 154 Ca 0.61 1.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.65 2nef s GLU 154 Cb 0.17 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2nef s GLU 154 CO -0.07 -0.52 0.00 -1.91 -0.49 0.00 0.00 175.26 172.27 2nef n GLU 155 N -0.91 0.00 0.00 1.61 2.13 -1.26 -5.06 120.64 117.15 2nef n GLU 155 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2nef n GLU 155 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef n ALA 156 N -2.65 0.00 -3.12 4.31 0.00 -1.26 -5.03 120.51 112.76 2nef n ALA 156 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2nef n ALA 156 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.00 -1.11 -0.95 0.00 3.04 -1.26 -5.05 114.94 108.61 2nef s ASN 157 Ca 0.00 -0.05 -0.19 0.00 0.04 0.00 0.00 52.86 52.66 2nef s ASN 157 Cb 0.00 1.62 -0.11 0.00 -1.54 0.00 0.00 41.25 41.22 2nef s ASN 157 CO 0.00 -0.18 2.02 1.17 -3.04 0.00 0.00 177.10 177.07 2nef n LYS 158 N 4.97 1.88 -2.39 0.43 4.81 -1.26 -4.76 118.16 121.84 2nef n LYS 158 Ca 0.07 -1.98 -0.42 0.00 -0.87 0.00 0.00 58.31 55.11 2nef n LYS 158 Cb 0.57 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.66 2nef n LYS 158 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2nef n ASP 174 N 6.86 6.39 -2.87 3.14 2.03 -1.26 -4.59 116.55 126.25 2nef n ASP 174 Ca 0.50 -3.23 -0.12 0.00 0.52 0.00 0.00 54.79 52.46 2nef n ASP 174 Cb 0.38 -1.38 0.05 0.00 -0.72 0.00 0.00 41.12 39.45 2nef n ASP 174 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2nef n ASP 175 N 2.41 -1.45 0.00 1.67 8.00 -1.26 -4.96 116.55 120.96 2nef n ASP 175 Ca 0.44 -3.48 0.06 0.00 0.71 0.00 0.00 54.79 52.52 2nef n ASP 175 Cb 0.31 1.18 0.36 0.00 -0.02 0.00 0.00 41.12 42.95 2nef n ASP 175 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2nef n PRO 176 N 0.42 0.58 -1.56 -0.24 -0.04 -1.26 -4.39 135.00 128.51 2nef n PRO 176 Ca 0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 2nef n PRO 176 Cb 0.68 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 177 N -0.82 2.85 -2.46 0.54 1.02 -1.26 -4.85 120.64 115.66 2nef n GLU 177 Ca 0.09 -2.41 -0.41 0.00 -0.02 0.00 0.00 57.16 54.41 2nef n GLU 177 Cb 0.04 -3.13 -0.01 0.00 -0.02 0.00 0.00 31.44 28.32 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2nef n ARG 178 N 5.65 2.94 0.00 3.49 0.63 -1.26 -4.90 116.66 123.21 2nef n ARG 178 Ca 0.57 -3.12 0.00 0.00 -0.92 0.00 0.00 57.85 54.37 2nef n ARG 178 Cb 0.35 -3.52 0.00 0.00 0.45 0.00 0.00 32.46 29.74 2nef n ARG 178 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2nef n GLU 179 N 8.28 0.17 0.00 -0.14 -0.58 -1.26 -5.05 120.64 122.06 2nef n GLU 179 Ca 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 2nef n GLU 179 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2nef n GLU 179 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2nef n VAL 180 N 0.00 0.00 -4.36 2.62 0.31 -1.26 -5.08 118.33 110.57 2nef n VAL 180 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2nef n VAL 180 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.97 0.29 7.52 1.43 -1.20 -4.83 118.68 124.86 2nef s LEU 181 Ca 0.00 -1.23 0.11 0.00 -1.03 0.00 0.00 54.13 51.98 2nef s LEU 181 Cb 0.00 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 2nef s LEU 181 CO 0.00 -0.53 -0.17 -1.83 0.23 0.00 0.00 176.35 174.04 2nef s GLU 182 N -3.83 1.68 -0.33 1.70 -1.05 -1.16 0.34 118.70 116.04 2nef s GLU 182 Ca 0.37 -1.79 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 2nef s GLU 182 Cb 0.06 -1.70 0.00 0.00 -0.44 0.00 0.00 34.13 32.06 2nef s GLU 182 CO 0.20 0.28 1.36 -1.58 0.95 0.00 0.00 175.26 176.46 2nef s TRP 183 N -2.57 2.56 -0.89 4.83 0.51 -0.85 -2.89 118.94 119.63 2nef s TRP 183 Ca 0.30 0.78 -0.09 0.00 -2.12 0.00 0.00 56.10 54.97 2nef s TRP 183 Cb -0.03 -4.04 0.23 0.00 -0.81 0.00 0.00 33.47 28.81 2nef s TRP 183 CO 0.15 -1.88 0.82 0.50 -0.51 0.00 0.00 176.95 176.03 2nef s ARG 184 N 4.44 3.57 0.20 4.98 6.06 -1.06 0.29 118.95 137.43 2nef s ARG 184 Ca 0.59 -2.84 -0.30 0.00 -2.50 0.00 0.00 55.73 50.68 2nef s ARG 184 Cb -0.16 -4.28 -0.08 0.00 0.06 0.00 0.00 34.95 30.48 2nef s ARG 184 CO 0.27 -1.25 1.22 0.12 -2.50 0.00 0.00 175.30 173.16 2nef s PHE 185 N -0.55 3.38 -0.49 5.12 5.36 -1.26 -3.05 117.98 126.49 2nef s PHE 185 Ca 0.23 1.38 0.06 0.00 -0.96 0.00 0.00 56.93 57.65 2nef s PHE 185 Cb -0.11 -3.48 0.19 0.00 -0.34 0.00 0.00 43.02 39.28 2nef s PHE 185 CO -0.08 -1.37 0.62 -3.47 -1.46 0.00 0.00 175.22 169.46 2nef n ASP 186 N 2.45 -2.62 0.02 6.13 2.03 -0.56 -4.98 116.55 119.01 2nef n ASP 186 Ca 0.04 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.58 2nef n ASP 186 Cb 0.44 1.11 0.02 0.00 -0.72 0.00 0.00 41.12 41.97 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 2.88 0.02 -0.15 1.67 3.41 -1.26 -0.62 113.62 119.56 2nef n SER 187 Ca 0.21 0.15 0.03 0.00 -0.26 0.00 0.00 58.87 59.01 2nef n SER 187 Cb 0.54 -0.13 0.33 0.00 -0.26 0.00 0.00 64.21 64.68 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nef h ARG 188 N 0.00 0.79 0.00 4.33 2.43 -1.94 0.59 114.38 120.58 2nef h ARG 188 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2nef h ARG 188 Cb 0.80 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2nef h ARG 188 CO 0.00 0.52 0.00 -0.11 -1.51 0.00 0.00 179.97 178.87 2nef n LEU 189 N -4.45 0.00 0.00 3.80 -0.00 0.21 -1.89 117.00 114.67 2nef n LEU 189 Ca 0.08 0.08 0.10 0.00 -0.00 0.00 0.00 56.01 56.27 2nef n LEU 189 Cb 0.11 -0.08 0.60 0.00 -0.00 0.00 0.00 43.42 44.05 2nef n LEU 189 CO 0.35 -0.06 0.80 0.00 -0.00 0.00 0.00 177.39 178.48 2nef n ALA 190 N -1.08 2.25 0.00 1.96 0.00 0.21 -3.76 120.51 120.08 2nef n ALA 190 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2nef n ALA 190 Cb 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.01 0.00 -1.40 0.00 3.01 -0.79 -4.96 117.46 112.31 2nef n PHE 191 Ca 0.15 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 2nef n PHE 191 Cb 0.07 0.19 0.22 0.00 -0.01 0.00 0.00 39.48 39.96 2nef n PHE 191 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2nef s HIS 192 N -1.68 0.85 -0.38 1.38 3.76 -1.20 -5.03 115.29 112.99 2nef s HIS 192 Ca 0.00 0.41 0.12 0.00 -0.15 0.00 0.00 55.06 55.44 2nef s HIS 192 Cb 0.00 -3.71 0.39 0.00 1.11 0.00 0.00 32.58 30.37 2nef s HIS 192 CO 0.00 -3.45 1.09 1.58 -0.85 0.00 0.00 174.74 173.11 2nef n HIS 193 N -4.41 -0.97 -0.24 1.40 -0.00 -1.26 -4.83 115.22 104.91 2nef n HIS 193 Ca 0.14 -2.52 0.05 0.00 0.46 0.00 0.00 57.72 55.85 2nef n HIS 193 Cb 0.59 0.67 0.17 0.00 -0.12 0.00 0.00 29.99 31.30 2nef n HIS 193 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2nef h MET 194 N 2.64 0.25 -0.95 1.57 4.05 -1.95 0.31 114.93 120.85 2nef h MET 194 Ca -0.13 -0.02 0.28 0.00 -0.28 0.00 0.00 59.70 59.55 2nef h MET 194 Cb 1.18 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.88 2nef h MET 194 CO 0.23 0.17 0.94 0.00 0.23 0.00 0.00 176.91 178.48 2nef h ALA 195 N 1.59 2.81 -0.22 0.39 0.00 -1.93 0.63 119.26 122.53 2nef h ALA 195 Ca 0.40 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 2nef h ALA 195 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2nef h ALA 195 CO -0.50 -1.43 -0.44 -0.09 0.00 0.00 0.00 179.25 176.79 2nef h ARG 196 N 0.00 0.68 0.00 0.00 2.43 -0.74 -2.90 114.38 113.86 2nef h ARG 196 Ca 0.45 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2nef h ARG 196 Cb 2.32 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.93 2nef h ARG 196 CO -0.00 1.07 0.00 0.93 -1.51 0.00 0.00 179.97 180.45 2nef h GLU 197 N 0.39 0.00 0.00 0.20 4.39 0.19 -3.29 114.58 116.46 2nef h GLU 197 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2nef h GLU 197 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2nef h GLU 197 CO 0.10 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.23 2nef n LEU 198 N -2.65 1.44 -3.33 1.33 4.32 -0.97 -4.89 117.00 112.25 2nef n LEU 198 Ca 0.01 0.28 -0.16 0.00 -0.02 0.00 0.00 56.01 56.12 2nef n LEU 198 Cb 0.27 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.76 2nef n LEU 198 CO 0.23 -0.24 -0.15 -1.00 -1.22 0.00 0.00 177.39 175.02 2nef s HIS 199 N -0.60 -0.30 -1.26 -1.77 3.76 -1.16 -4.98 115.29 108.98 2nef s HIS 199 Ca 0.00 -0.90 0.28 0.00 -0.15 0.00 0.00 55.06 54.29 2nef s HIS 199 Cb 0.00 -0.39 1.15 0.00 1.11 0.00 0.00 32.58 34.45 2nef s HIS 199 CO 0.00 -0.98 1.84 -0.35 -0.85 0.00 0.00 174.74 174.39 2nef n PRO 200 N 4.07 0.27 0.00 8.40 -0.04 -1.24 -3.84 135.00 142.62 2nef n PRO 200 Ca 0.13 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2nef n PRO 200 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2nef n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 201 N -1.30 0.00 0.09 0.54 1.02 -1.26 -0.39 120.64 119.34 2nef n GLU 201 Ca 0.10 0.32 -0.12 0.00 -0.02 0.00 0.00 57.16 57.44 2nef n GLU 201 Cb 0.30 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.04 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2nef h TYR 202 N 0.00 0.39 -1.68 -0.32 -1.99 -2.01 -3.45 116.97 107.90 2nef h TYR 202 Ca 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2nef h TYR 202 Cb 0.19 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2nef h TYR 202 CO 0.00 1.14 0.00 1.19 -0.00 0.00 0.00 178.16 180.49 2nef n PHE 203 N -3.57 0.00 -2.93 4.88 3.72 0.48 -5.14 117.46 114.89 2nef n PHE 203 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2nef n PHE 203 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 2nef n PHE 203 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2nef n LYS 204 N 0.00 0.00 0.00 -1.08 5.02 -1.26 -5.08 118.16 115.76 2nef n LYS 204 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nef n LYS 204 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2nef n LYS 204 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2nef n ASN 205 N -0.01 0.00 0.00 4.39 2.85 -1.26 -5.11 115.26 116.12 2nef n ASN 205 Ca 0.00 -0.96 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 2nef n ASN 205 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15