#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 -2.29 0.00 -0.00 -1.26 -4.35 117.44 109.54 2nef n TRP 57 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 2nef n TRP 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2nef n TRP 57 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2nef n LEU 58 N 0.00 6.27 -2.86 5.87 7.94 -1.26 -4.84 117.00 128.11 2nef n LEU 58 Ca 0.00 -4.37 -0.19 0.00 -1.11 0.00 0.00 56.01 50.34 2nef n LEU 58 Cb 0.00 -1.59 -0.05 0.00 0.53 0.00 0.00 43.42 42.31 2nef n LEU 58 CO 0.00 1.04 2.11 -1.84 -1.11 0.00 0.00 177.39 177.58 2nef n GLU 59 N 5.40 2.01 -2.41 1.96 0.28 -1.26 -4.90 120.64 121.72 2nef n GLU 59 Ca 0.44 -1.27 -0.38 0.00 -0.16 0.00 0.00 57.16 55.79 2nef n GLU 59 Cb 0.39 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 30.95 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nef s ALA 60 N 2.71 3.18 -1.84 -1.84 0.00 -1.26 -4.85 121.76 117.86 2nef s ALA 60 Ca 0.44 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.28 2nef s ALA 60 Cb 0.14 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2nef s ALA 60 CO -0.03 -0.36 0.61 1.04 0.00 0.00 0.00 175.76 177.02 2nef n GLN 61 N 0.23 0.01 -1.08 0.00 6.02 -1.26 -4.64 117.38 116.65 2nef n GLN 61 Ca 0.04 0.08 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 2nef n GLN 61 Cb 0.47 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.42 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2nef n GLU 62 N -1.08 -2.13 -1.78 -1.09 -0.58 -1.26 -5.01 120.64 107.70 2nef n GLU 62 Ca 0.00 -1.50 -0.31 0.00 -0.42 0.00 0.00 57.16 54.94 2nef n GLU 62 Cb 0.00 -1.24 0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2nef n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2nef s GLU 63 N -5.12 3.26 0.31 3.49 2.56 -1.26 -5.07 118.70 116.87 2nef s GLU 63 Ca 0.58 0.93 -0.12 0.00 0.00 0.00 0.00 54.97 56.36 2nef s GLU 63 Cb -0.04 -2.03 0.02 0.00 2.00 0.00 0.00 34.13 34.07 2nef s GLU 63 CO 0.43 -0.84 0.59 -1.83 -0.56 0.00 0.00 175.26 173.05 2nef s GLU 64 N -4.88 1.85 0.00 4.30 -1.05 -1.26 -5.02 118.70 112.64 2nef s GLU 64 Ca 0.58 -1.39 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 2nef s GLU 64 Cb -0.13 0.52 0.02 0.00 -0.44 0.00 0.00 34.13 34.10 2nef s GLU 64 CO 0.50 -0.81 0.92 -1.91 0.95 0.00 0.00 175.26 174.91 2nef n GLU 65 N -0.48 0.00 -0.01 -4.83 0.00 -1.26 -4.93 120.64 109.13 2nef n GLU 65 Ca -0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 57.16 56.26 2nef n GLU 65 Cb 0.61 0.39 0.00 0.00 0.00 0.00 0.00 31.44 32.44 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2nef n VAL 66 N 0.02 0.60 -1.63 6.31 0.31 -1.26 -4.96 118.33 117.72 2nef n VAL 66 Ca -0.22 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2nef n VAL 66 Cb 0.68 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.28 2.19 2.70 2.92 0.00 -1.26 -4.28 105.19 107.73 2nef n GLY 67 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 -1.66 1.61 3.01 -1.26 -5.08 117.46 126.42 2nef n PHE 68 Ca 0.00 -1.87 -0.30 0.00 1.01 0.00 0.00 57.45 56.29 2nef n PHE 68 Cb 0.00 1.29 -0.04 0.00 -0.01 0.00 0.00 39.48 40.72 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 -0.44 2.07 -0.67 -1.08 0.04 -1.26 -4.91 135.00 128.76 2nef s PRO 69 Ca 0.15 0.95 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 2nef s PRO 69 Cb 0.42 -4.64 0.09 0.00 0.04 0.00 0.00 34.50 30.42 2nef s PRO 69 CO -0.10 -3.52 0.88 0.14 0.04 0.00 0.00 177.00 174.44 2nef s VAL 70 N 12.32 4.58 -0.43 -0.36 -7.23 -1.26 -5.01 120.40 123.02 2nef s VAL 70 Ca 0.90 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 60.10 2nef s VAL 70 Cb -0.15 -4.62 0.02 0.00 0.56 0.00 0.00 36.38 32.20 2nef s VAL 70 CO 0.19 -1.33 0.54 0.42 -0.31 0.00 0.00 175.10 174.61 2nef s THR 71 N 3.30 4.95 0.00 5.32 -4.23 -1.23 -5.06 115.64 118.70 2nef s THR 71 Ca 0.19 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2nef s THR 71 Cb -0.18 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.53 2nef s THR 71 CO 0.06 -0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 172.81 2nef n PRO 72 N 5.94 1.02 -1.52 3.99 -0.04 -1.26 -3.57 135.00 139.56 2nef n PRO 72 Ca -0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 2nef n PRO 72 Cb 0.47 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.09 0.34 -3.19 0.54 3.00 -1.26 -4.70 117.38 112.02 2nef n GLN 73 Ca 0.00 -0.12 -0.27 0.00 -0.01 0.00 0.00 57.00 56.60 2nef n GLN 73 Cb 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 30.24 28.04 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 8.68 5.01 -0.33 5.09 -7.23 -1.26 -4.94 120.40 125.42 2nef s VAL 74 Ca 1.20 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 61.06 2nef s VAL 74 Cb -0.74 -3.79 -0.13 0.00 0.56 0.00 0.00 36.38 32.28 2nef s VAL 74 CO 0.39 -0.49 1.09 -2.65 -0.31 0.00 0.00 175.10 173.14 2nef n PRO 75 N -1.40 0.00 -1.56 4.82 -0.02 -1.26 -4.65 135.00 130.92 2nef n PRO 75 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.14 2nef n PRO 75 Cb 0.55 -0.98 -0.04 0.00 -0.02 0.00 0.00 33.50 33.01 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 2.23 3.31 0.40 2.45 1.43 -1.26 -4.87 118.68 122.37 2nef s LEU 76 Ca 0.70 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.54 2nef s LEU 76 Cb -0.98 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 2nef s LEU 76 CO 0.52 -3.08 0.83 -0.13 0.23 0.00 0.00 176.35 174.73 2nef s ARG 77 N 8.39 3.96 -0.13 1.70 0.52 -1.26 -5.01 118.95 127.12 2nef s ARG 77 Ca 0.97 0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 56.62 2nef s ARG 77 Cb -0.16 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2nef s ARG 77 CO 0.23 -0.02 1.36 -1.25 0.02 0.00 0.00 175.30 175.64 2nef s PRO 78 N -3.50 4.22 -0.25 3.54 0.04 -1.26 -4.79 135.00 132.99 2nef s PRO 78 Ca 0.55 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2nef s PRO 78 Cb -0.10 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.60 2nef s PRO 78 CO 0.24 -0.73 1.88 1.41 0.04 0.00 0.00 177.00 179.83 2nef s MET 79 N 3.59 3.43 0.19 4.56 1.75 -1.26 -4.96 119.30 126.60 2nef s MET 79 Ca 0.59 1.71 -0.17 0.00 -1.25 0.00 0.00 55.69 56.57 2nef s MET 79 Cb -0.25 -4.21 -0.08 0.00 2.84 0.00 0.00 34.83 33.14 2nef s MET 79 CO 0.19 -1.75 0.65 0.95 -0.65 0.00 0.00 175.02 174.41 2nef s THR 80 N 6.74 4.69 0.27 10.11 -4.23 -1.26 -4.90 115.64 127.06 2nef s THR 80 Ca 0.84 1.09 0.01 0.00 -1.18 0.00 0.00 61.69 62.45 2nef s THR 80 Cb -0.27 -3.80 0.26 0.00 1.34 0.00 0.00 72.50 70.03 2nef s THR 80 CO 0.34 0.22 1.77 0.22 -0.54 0.00 0.00 174.62 176.62 2nef h TYR 81 N 3.46 0.86 -0.04 3.99 3.20 -1.93 2.54 116.97 129.05 2nef h TYR 81 Ca -0.48 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2nef h TYR 81 Cb 1.19 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2nef h TYR 81 CO 0.64 0.21 -0.05 -0.22 -1.64 0.00 0.00 178.16 177.10 2nef h LYS 82 N 0.68 0.05 -0.51 1.82 3.64 -1.94 -1.27 116.57 119.04 2nef h LYS 82 Ca 0.50 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.79 2nef h LYS 82 Cb 0.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2nef h LYS 82 CO -0.36 0.11 0.01 0.00 -2.27 0.00 0.00 179.45 176.94 2nef h ALA 83 N 1.90 1.07 0.24 5.00 0.00 0.40 -0.47 119.26 127.40 2nef h ALA 83 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2nef h ALA 83 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2nef h ALA 83 CO 0.01 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 2nef h ALA 84 N 1.23 -0.32 -0.46 0.00 0.00 -0.32 0.27 119.26 119.65 2nef h ALA 84 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2nef h ALA 84 Cb 0.45 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2nef h ALA 84 CO 0.02 -0.60 0.15 0.28 0.00 0.00 0.00 179.25 179.10 2nef h VAL 85 N -0.48 1.22 -0.58 0.00 2.07 -1.43 0.17 116.25 117.22 2nef h VAL 85 Ca -0.03 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2nef h VAL 85 Cb 0.36 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2nef h VAL 85 CO 0.05 0.27 0.31 0.44 0.02 0.00 0.00 177.57 178.66 2nef h ASP 86 N 0.61 0.73 -0.90 0.57 3.32 -1.01 -2.15 116.42 117.59 2nef h ASP 86 Ca 0.15 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2nef h ASP 86 Cb 0.26 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2nef h ASP 86 CO -0.01 0.62 0.49 0.25 -1.72 0.00 0.00 179.24 178.87 2nef h LEU 87 N 0.78 1.13 -0.64 1.55 5.85 -0.11 -1.83 115.31 122.03 2nef h LEU 87 Ca 0.20 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.94 2nef h LEU 87 Cb 0.06 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.71 2nef h LEU 87 CO -0.03 0.91 0.15 0.77 -0.34 0.00 0.00 178.44 179.90 2nef h SER 88 N 1.26 0.03 0.48 1.25 4.64 -0.29 0.07 113.55 121.00 2nef h SER 88 Ca 0.32 0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.59 2nef h SER 88 Cb 0.04 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2nef h SER 88 CO -0.05 0.01 -0.71 0.45 -0.87 0.00 0.00 176.83 175.66 2nef h HIS 89 N 0.28 0.26 0.35 4.77 3.86 -1.33 -2.70 115.15 120.64 2nef h HIS 89 Ca 0.34 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2nef h HIS 89 Cb 0.53 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2nef h HIS 89 CO -0.24 0.83 -0.23 0.35 0.86 0.00 0.00 177.93 179.49 2nef h PHE 90 N 0.13 -0.61 0.00 2.45 3.04 -0.20 -1.40 116.94 120.35 2nef h PHE 90 Ca -0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2nef h PHE 90 Cb 1.26 0.22 -0.00 0.00 2.56 0.00 0.00 35.95 39.99 2nef h PHE 90 CO 0.02 -0.36 -0.04 -0.07 -2.02 0.00 0.00 178.31 175.84 2nef h LEU 91 N -0.57 0.00 0.66 0.59 3.38 -1.25 -2.28 115.31 115.84 2nef h LEU 91 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2nef h LEU 91 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2nef h LEU 91 CO 0.02 0.04 -0.32 0.50 0.09 0.00 0.00 178.44 178.78 2nef h LYS 92 N 0.00 -0.86 0.07 1.13 1.63 -0.91 2.46 116.57 120.10 2nef h LYS 92 Ca -0.00 0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2nef h LYS 92 Cb 0.20 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2nef h LYS 92 CO 0.01 -0.57 -0.03 1.05 -3.45 0.00 0.00 179.45 176.45 2nef h GLU 93 N -1.06 -0.09 0.00 1.90 4.11 -1.45 -2.42 114.58 115.57 2nef h GLU 93 Ca -0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2nef h GLU 93 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2nef h GLU 93 CO 0.15 -0.06 0.00 1.63 0.07 0.00 0.00 179.01 180.80 2nef n LYS 94 N -2.74 0.77 0.03 1.06 5.02 -0.87 -4.24 118.16 117.19 2nef n LYS 94 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2nef n LYS 94 Cb 0.04 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.28 -0.06 0.64 0.72 0.00 -0.33 -4.90 105.19 101.55 2nef n GLY 95 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 2.72 0.67 0.10 -0.02 0.00 0.81 -4.94 105.19 104.54 2nef n GLY 96 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 -9.53 0.99 5.85 -1.81 -3.43 115.31 107.38 2nef h LEU 97 Ca 0.00 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.14 2nef h LEU 97 Cb 0.54 0.00 0.17 0.00 0.37 0.00 0.00 40.66 41.73 2nef h LEU 97 CO 0.00 0.71 -0.33 1.21 -0.34 0.00 0.00 178.44 179.69 2nef n GLU 98 N -3.16 0.57 -0.35 1.25 0.00 -1.26 -0.61 120.64 117.09 2nef n GLU 98 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2nef n GLU 98 Cb 0.85 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 30.55 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 1.72 0.00 3.58 8.31 0.00 0.20 -4.83 105.19 114.17 2nef n GLY 99 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.45 -0.37 0.99 1.98 0.23 -4.71 118.68 120.25 2nef s LEU 100 Ca 0.00 0.48 -0.29 0.00 -2.89 0.00 0.00 54.13 51.43 2nef s LEU 100 Cb 0.00 -3.19 -0.08 0.00 0.66 0.00 0.00 46.19 43.58 2nef s LEU 100 CO 0.00 -1.67 2.30 -0.38 -1.89 0.00 0.00 176.35 174.71 2nef n ILE 101 N 6.97 0.17 -1.91 6.68 2.08 -1.26 -2.70 119.36 129.38 2nef n ILE 101 Ca 0.14 -0.49 -0.40 0.00 0.56 0.00 0.00 62.75 62.56 2nef n ILE 101 Cb 0.49 -2.32 -0.03 0.00 -0.75 0.00 0.00 39.64 37.03 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 9.25 1.59 0.00 1.39 5.65 0.87 -4.90 115.29 129.13 2nef s HIS 102 Ca 1.04 0.83 0.00 0.00 0.25 0.00 0.00 55.06 57.18 2nef s HIS 102 Cb -0.46 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 26.93 2nef s HIS 102 CO 0.37 -2.73 0.31 0.43 -0.65 0.00 0.00 174.74 172.46 2nef n SER 103 N 12.19 0.00 0.00 9.88 7.64 -1.26 -3.38 113.62 138.69 2nef n SER 103 Ca 0.25 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2nef n SER 103 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.46 0.00 0.00 1.43 -0.06 -1.26 -4.77 117.38 112.25 2nef n GLN 104 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 2nef n GLN 104 Cb 0.00 0.00 0.44 0.00 -4.06 0.00 0.00 30.24 26.62 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2nef n ARG 105 N -2.34 0.00 0.08 3.69 1.74 -1.26 -3.23 116.66 115.34 2nef n ARG 105 Ca 0.00 0.15 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 2nef n ARG 105 Cb 0.00 -1.51 0.68 0.00 -1.02 0.00 0.00 32.46 30.61 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2nef h ARG 106 N 0.00 0.00 -0.17 5.56 9.65 -1.94 -1.70 114.38 125.77 2nef h ARG 106 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2nef h ARG 106 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2nef h ARG 106 CO 0.00 0.00 0.08 -0.56 2.80 0.00 0.00 179.97 182.29 2nef h GLN 107 N 0.00 0.25 -0.73 0.20 3.07 -1.95 -2.66 115.11 113.29 2nef h GLN 107 Ca 0.17 -0.04 0.08 0.00 0.09 0.00 0.00 58.65 58.95 2nef h GLN 107 Cb 0.71 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 28.16 2nef h GLN 107 CO -0.00 0.30 0.41 -0.44 0.09 0.00 0.00 178.83 179.18 2nef h ASP 108 N 0.15 0.59 -0.89 0.06 3.32 -1.56 -0.47 116.42 117.62 2nef h ASP 108 Ca 0.06 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.26 2nef h ASP 108 Cb 0.13 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 2nef h ASP 108 CO -0.01 0.36 0.57 0.40 -1.72 0.00 0.00 179.24 178.85 2nef h ILE 109 N 0.72 0.91 0.00 0.35 2.04 -1.34 0.13 117.51 120.32 2nef h ILE 109 Ca 0.34 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2nef h ILE 109 Cb 0.27 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2nef h ILE 109 CO -0.22 0.15 0.00 -0.11 0.00 0.00 0.00 178.15 177.97 2nef n LEU 110 N -4.55 0.00 -0.25 1.44 7.94 -0.20 0.05 117.00 121.44 2nef n LEU 110 Ca 0.16 0.98 0.18 0.00 -1.11 0.00 0.00 56.01 56.22 2nef n LEU 110 Cb 0.37 -0.48 0.49 0.00 0.53 0.00 0.00 43.42 44.33 2nef n LEU 110 CO 0.30 -0.48 1.22 0.44 -1.11 0.00 0.00 177.39 177.76 2nef h ASP 111 N 0.00 0.45 0.21 1.96 5.19 -1.41 -1.42 116.42 121.40 2nef h ASP 111 Ca 0.00 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2nef h ASP 111 Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2nef h ASP 111 CO 0.00 0.19 -0.10 0.25 -3.12 0.00 0.00 179.24 176.46 2nef h LEU 112 N 0.45 -0.24 -0.75 1.55 6.46 -0.49 -2.11 115.31 120.18 2nef h LEU 112 Ca 0.47 -0.15 0.16 0.00 -0.12 0.00 0.00 57.88 58.23 2nef h LEU 112 Cb 1.09 0.06 -0.11 0.00 -0.73 0.00 0.00 40.66 40.98 2nef h LEU 112 CO -0.19 0.01 0.24 -0.25 -0.62 0.00 0.00 178.44 177.63 2nef h TRP 113 N -0.50 0.39 -0.49 1.25 7.01 0.71 0.77 115.95 125.08 2nef h TRP 113 Ca -0.03 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.04 2nef h TRP 113 Cb 0.37 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 2nef h TRP 113 CO -0.00 -0.03 0.33 0.82 -2.79 0.00 0.00 178.44 176.76 2nef h ILE 114 N 0.34 1.06 0.41 2.65 2.04 -1.22 -2.97 117.51 119.82 2nef h ILE 114 Ca 0.43 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2nef h ILE 114 Cb 0.71 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2nef h ILE 114 CO -0.47 0.10 -0.20 0.22 0.00 0.00 0.00 178.15 177.80 2nef h TYR 115 N 0.56 -0.51 0.00 1.37 3.20 0.12 -2.68 116.97 119.03 2nef h TYR 115 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2nef h TYR 115 Cb 0.09 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2nef h TYR 115 CO -0.00 -0.32 0.00 0.72 -1.64 0.00 0.00 178.16 176.92 2nef n HIS 116 N -3.86 0.00 0.00 -3.82 8.25 -0.78 -1.65 115.22 113.35 2nef n HIS 116 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2nef n HIS 116 Cb 0.22 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.33 0.00 1.28 1.59 -2.24 -1.07 -3.49 114.28 110.68 2nef n THR 117 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2nef n THR 117 Cb 0.04 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.00 0.39 -2.66 -0.78 3.00 -1.05 -4.70 117.38 111.58 2nef n GLN 118 Ca 0.00 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 56.76 2nef n GLN 118 Cb 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 28.76 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 1.35 -0.10 3.73 1.08 0.00 -0.66 -4.46 105.19 106.13 2nef n GLY 119 Ca 0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.90 3.42 0.19 1.61 2.02 -1.25 -4.57 117.35 115.88 2nef s TYR 120 Ca 0.16 1.33 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 2nef s TYR 120 Cb -0.07 -3.44 -0.08 0.00 -0.40 0.00 0.00 41.96 37.96 2nef s TYR 120 CO 0.20 -1.32 1.17 0.12 -1.57 0.00 0.00 175.55 174.15 2nef s PHE 121 N 0.51 3.46 -0.96 2.71 5.36 -1.26 -4.56 117.98 123.25 2nef s PHE 121 Ca 0.56 1.48 -0.24 0.00 -0.96 0.00 0.00 56.93 57.77 2nef s PHE 121 Cb -0.32 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 2nef s PHE 121 CO 0.33 -1.05 1.62 -1.25 -1.46 0.00 0.00 175.22 173.40 2nef s PRO 122 N -0.35 3.20 0.00 10.12 0.04 -1.26 -4.44 135.00 142.31 2nef s PRO 122 Ca 0.52 -0.75 0.01 0.00 0.04 0.00 0.00 61.00 60.81 2nef s PRO 122 Cb -0.32 -5.18 0.01 0.00 0.04 0.00 0.00 34.50 29.06 2nef s PRO 122 CO 0.37 -2.60 0.69 -0.40 0.04 0.00 0.00 177.00 175.09 2nef n ASP 123 N 10.69 -0.05 0.00 6.66 5.75 -1.26 -4.89 116.55 133.44 2nef n ASP 123 Ca 0.33 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 2nef n ASP 123 Cb 0.50 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.02 0.00 -2.42 2.11 4.27 -1.26 -4.96 117.44 115.20 2nef n TRP 124 Ca -0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.59 0.00 -0.03 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 0.00 177.69 174.26 2nef s GLN 125 N -1.76 3.07 0.34 -2.67 0.74 -1.26 -4.59 119.66 113.54 2nef s GLN 125 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.46 2nef s GLN 125 Cb 0.00 -4.22 -0.01 0.00 1.10 0.00 0.00 33.01 29.88 2nef s GLN 125 CO 0.00 -2.26 0.14 0.09 -0.55 0.00 0.00 175.29 172.71 2nef n ASN 126 N 10.15 0.99 -3.55 6.67 3.02 -1.26 -5.08 115.26 126.21 2nef n ASN 126 Ca 0.08 -2.86 -0.07 0.00 -0.03 0.00 0.00 54.58 51.70 2nef n ASN 126 Cb 0.50 0.94 -0.00 0.00 -0.61 0.00 0.00 39.78 40.60 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 -2.89 -0.08 0.56 3.10 1.51 -1.26 -2.98 117.35 115.31 2nef s TYR 127 Ca 0.19 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 2nef s TYR 127 Cb 0.01 0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 42.55 2nef s TYR 127 CO 0.14 -1.27 1.20 0.95 -1.11 0.00 0.00 175.55 175.46 2nef s THR 128 N -3.27 2.73 -0.74 -0.71 -4.23 -1.14 -4.76 115.64 103.52 2nef s THR 128 Ca 0.13 0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 60.85 2nef s THR 128 Cb -0.05 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.60 2nef s THR 128 CO 0.08 -0.08 1.47 -2.16 -0.54 0.00 0.00 174.62 173.38 2nef s PRO 129 N -3.19 3.06 0.00 3.99 0.04 -1.26 -4.88 135.00 132.76 2nef s PRO 129 Ca 0.74 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2nef s PRO 129 Cb -0.30 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2nef s PRO 129 CO 0.34 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.44 2nef n GLY 130 N 5.65 3.54 0.00 0.56 0.00 -1.26 -5.10 105.19 108.58 2nef n GLY 130 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -0.96 1.18 0.00 1.61 -0.04 -1.26 -4.88 135.00 130.66 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 4.23 2.17 3.20 0.55 0.00 -1.26 -4.71 105.19 109.37 2nef n GLY 132 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 2.08 -1.26 -4.80 119.36 111.61 2nef n ILE 133 Ca 0.00 -0.24 0.04 0.00 0.56 0.00 0.00 62.75 63.11 2nef n ILE 133 Cb 0.00 -0.36 -0.01 0.00 -0.75 0.00 0.00 39.64 38.52 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2nef s ARG 134 N -2.91 0.51 0.17 0.38 3.52 -1.18 -4.96 118.95 114.48 2nef s ARG 134 Ca 0.49 0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 56.84 2nef s ARG 134 Cb -0.10 0.43 -0.06 0.00 -1.56 0.00 0.00 34.95 33.66 2nef s ARG 134 CO 0.70 -0.66 0.42 0.71 -0.81 0.00 0.00 175.30 175.66 2nef s TYR 135 N 2.87 3.46 0.04 5.12 1.51 -1.26 -3.25 117.35 125.84 2nef s TYR 135 Ca 0.16 0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 56.55 2nef s TYR 135 Cb -0.13 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2nef s TYR 135 CO -0.21 0.39 0.97 -1.25 -1.11 0.00 0.00 175.55 174.34 2nef s PRO 136 N -2.73 4.61 0.05 -1.71 0.04 -1.26 -2.88 135.00 131.12 2nef s PRO 136 Ca 0.42 1.43 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 2nef s PRO 136 Cb -0.12 -3.43 -0.16 0.00 0.04 0.00 0.00 34.50 30.83 2nef s PRO 136 CO 0.24 0.05 1.56 -0.07 0.04 0.00 0.00 177.00 178.82 2nef h LEU 137 N 6.32 0.04-10.23 -3.56 3.38 -1.83 -3.43 115.31 105.99 2nef h LEU 137 Ca -0.42 -0.20 -0.52 0.00 0.09 0.00 0.00 57.88 56.84 2nef h LEU 137 Cb 1.22 -0.01 0.13 0.00 0.09 0.00 0.00 40.66 42.08 2nef h LEU 137 CO 0.74 0.22 0.35 0.42 0.09 0.00 0.00 178.44 180.26 2nef s THR 138 N -5.41 3.01 0.26 0.22 -4.23 -1.26 -5.03 115.64 103.20 2nef s THR 138 Ca -0.14 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2nef s THR 138 Cb 0.05 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2nef s THR 138 CO 0.67 -0.34 0.39 0.12 -0.54 0.00 0.00 174.62 174.92 2nef s PHE 139 N -2.46 3.44 0.00 3.99 5.36 -1.26 -4.46 117.98 122.59 2nef s PHE 139 Ca 0.67 0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 2nef s PHE 139 Cb -0.21 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 2nef s PHE 139 CO 0.47 0.38 0.00 0.41 -1.46 0.00 0.00 175.22 175.02 2nef n GLY 140 N -1.47 2.86 3.55 13.12 0.00 -1.26 -4.92 105.19 117.07 2nef n GLY 140 Ca -0.08 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.92 1.95 -0.64 1.61 -0.00 -1.26 -3.88 118.94 115.80 2nef s TRP 141 Ca 0.00 0.36 -0.07 0.00 -0.00 0.00 0.00 56.10 56.39 2nef s TRP 141 Cb 0.00 -4.31 -0.18 0.00 -0.00 0.00 0.00 33.47 28.98 2nef s TRP 141 CO 0.00 -2.13 3.33 0.00 -0.00 0.00 0.00 176.95 178.15 2nef s TYR 143 N 1.27 3.15 -0.27 0.00 1.13 -1.26 -2.25 117.35 119.12 2nef s TYR 143 Ca 0.67 -0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 56.25 2nef s TYR 143 Cb 0.27 -2.00 0.09 0.00 -1.10 0.00 0.00 41.96 39.22 2nef s TYR 143 CO -0.03 0.12 0.08 0.15 -2.51 0.00 0.00 175.55 173.35 2nef s LYS 144 N 0.21 0.68 0.28 -3.49 1.02 -1.13 -4.40 119.74 112.91 2nef s LYS 144 Ca 0.01 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 2nef s LYS 144 Cb -0.13 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 2nef s LYS 144 CO 0.02 -0.87 1.02 -0.51 -0.92 0.00 0.00 175.35 174.08 2nef s LEU 145 N 1.73 4.52 -0.25 3.17 1.43 -1.20 -1.86 118.68 126.22 2nef s LEU 145 Ca 0.06 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 2nef s LEU 145 Cb -0.17 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.41 2nef s LEU 145 CO -0.21 -0.06 0.60 -0.69 0.23 0.00 0.00 176.35 176.23 2nef s VAL 146 N -1.27 -0.10 0.95 -1.59 1.01 -1.15 -3.09 120.40 115.16 2nef s VAL 146 Ca 0.45 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 2nef s VAL 146 Cb -0.27 -0.88 0.18 0.00 0.00 0.00 0.00 36.38 35.40 2nef s VAL 146 CO 0.34 0.01 0.40 -2.65 0.00 0.00 0.00 175.10 173.20 2nef n PRO 147 N 4.42 -1.18 -0.92 2.72 -0.02 -1.26 -3.10 135.00 135.65 2nef n PRO 147 Ca -0.20 -0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 60.46 2nef n PRO 147 Cb 0.57 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nef n VAL 148 N -4.30 2.74 -1.99 -1.45 0.31 -1.25 -4.75 118.33 107.63 2nef n VAL 148 Ca 0.06 -1.64 -0.38 0.00 -0.01 0.00 0.00 64.34 62.37 2nef n VAL 148 Cb 0.28 -1.45 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 -1.29 3.60 -1.03 5.55 2.02 -1.26 -4.91 118.70 121.38 2nef s GLU 149 Ca 0.32 2.10 -0.23 0.00 0.02 0.00 0.00 54.97 57.18 2nef s GLU 149 Cb 0.23 -2.48 0.04 0.00 0.10 0.00 0.00 34.13 32.02 2nef s GLU 149 CO -0.04 -0.78 1.52 -1.25 0.02 0.00 0.00 175.26 174.73 2nef s PRO 150 N -2.62 3.53 0.00 0.39 0.04 -1.26 -4.94 135.00 130.14 2nef s PRO 150 Ca 0.64 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2nef s PRO 150 Cb -0.37 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 28.82 2nef s PRO 150 CO 0.45 -2.33 0.00 -1.91 0.04 0.00 0.00 177.00 173.26 2nef n GLU 151 N 8.84 0.00 -0.07 4.56 4.07 -1.26 -4.14 120.64 132.64 2nef n GLU 151 Ca 0.35 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.49 2nef n GLU 151 Cb 0.50 -0.01 0.14 0.00 -0.06 0.00 0.00 31.44 32.01 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2nef n LYS 152 N 0.00 1.35 -0.72 5.31 5.02 -1.26 -4.85 118.16 123.01 2nef n LYS 152 Ca 0.00 -0.54 -0.09 0.00 -2.02 0.00 0.00 58.31 55.66 2nef n LYS 152 Cb 0.00 -1.16 0.06 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.09 0.00 -0.25 -0.35 7.99 -1.26 -5.03 117.00 118.02 2nef n LEU 153 Ca 0.07 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.58 2nef n LEU 153 Cb 0.14 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 2nef n LEU 153 CO 0.05 -0.76 0.12 -1.84 -1.51 0.00 0.00 177.39 173.45 2nef n GLU 154 N -1.81 0.00 -3.78 3.23 0.28 -1.26 -5.00 120.64 112.31 2nef n GLU 154 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.01 2nef n GLU 154 Cb 0.18 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.04 2nef n GLU 154 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2nef s GLU 155 N 0.00 1.31 0.00 3.44 -1.05 -1.26 -5.19 118.70 115.95 2nef s GLU 155 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 2nef s GLU 155 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 2nef s GLU 155 CO 0.00 -0.60 0.00 0.00 0.95 0.00 0.00 175.26 175.61 2nef n ALA 156 N -0.49 0.00 -2.00 -0.84 0.00 -1.26 -5.07 120.51 110.85 2nef n ALA 156 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 156 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2nef n ALA 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nef n ASN 157 N -0.60 0.00 -3.55 0.00 4.13 -1.26 -4.98 115.26 109.00 2nef n ASN 157 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 2nef n ASN 157 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2nef n ASN 157 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2nef n LYS 158 N 0.00 1.33 0.00 3.52 2.85 -1.26 -4.80 118.16 119.80 2nef n LYS 158 Ca 0.00 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 2nef n LYS 158 Cb 0.00 -2.79 0.00 0.00 -0.65 0.00 0.00 35.03 31.59 2nef n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2nef n ASP 174 N 7.29 0.00 -2.86 -5.58 2.03 -1.26 -5.08 116.55 111.09 2nef n ASP 174 Ca 0.48 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.67 2nef n ASP 174 Cb 0.37 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.00 -2.28 0.24 1.67 8.00 -1.26 -4.98 116.55 117.94 2nef n ASP 175 Ca 0.00 -3.13 0.10 0.00 0.71 0.00 0.00 54.79 52.47 2nef n ASP 175 Cb 0.00 1.28 0.53 0.00 -0.02 0.00 0.00 41.12 42.91 2nef n ASP 175 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2nef h PRO 176 N 4.12 0.00 0.00 -0.24 0.11 -1.98 -3.37 132.00 130.65 2nef h PRO 176 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2nef h PRO 176 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2nef h PRO 176 CO 0.33 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.51 2nef n GLU 177 N -2.42 0.00 -2.64 1.05 1.02 -1.26 -4.87 120.64 111.52 2nef n GLU 177 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 2nef n GLU 177 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.77 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2nef s ARG 178 N 0.00 4.44 -0.10 3.49 3.52 -1.26 -4.99 118.95 124.06 2nef s ARG 178 Ca 0.00 1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.77 2nef s ARG 178 Cb 0.00 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2nef s ARG 178 CO 0.00 -0.28 1.23 -1.21 -0.81 0.00 0.00 175.30 174.23 2nef s GLU 179 N 1.80 4.30 0.62 5.12 2.02 -1.26 -4.92 118.70 126.38 2nef s GLU 179 Ca 0.51 1.68 -0.04 0.00 0.02 0.00 0.00 54.97 57.14 2nef s GLU 179 Cb -0.21 -3.64 0.04 0.00 0.10 0.00 0.00 34.13 30.42 2nef s GLU 179 CO 0.21 -0.56 0.91 0.08 0.02 0.00 0.00 175.26 175.92 2nef s VAL 180 N 2.73 2.88 0.02 2.63 1.01 -1.26 -5.00 120.40 123.41 2nef s VAL 180 Ca 0.56 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2nef s VAL 180 Cb -0.24 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2nef s VAL 180 CO 0.19 -0.16 -0.16 -0.76 0.00 0.00 0.00 175.10 174.21 2nef s LEU 181 N -5.02 2.71 0.10 3.92 1.43 -1.22 -3.92 118.68 116.68 2nef s LEU 181 Ca 0.57 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2nef s LEU 181 Cb -0.11 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2nef s LEU 181 CO 0.43 0.27 -0.24 -1.83 0.23 0.00 0.00 176.35 175.22 2nef s GLU 182 N -1.34 1.65 -0.50 1.70 -1.05 -1.18 0.30 118.70 118.29 2nef s GLU 182 Ca 0.15 -1.22 -0.28 0.00 -0.15 0.00 0.00 54.97 53.47 2nef s GLU 182 Cb -0.11 -2.00 0.01 0.00 -0.44 0.00 0.00 34.13 31.59 2nef s GLU 182 CO 0.05 0.48 1.40 -1.58 0.95 0.00 0.00 175.26 176.56 2nef s TRP 183 N -1.02 2.36 -0.89 4.83 0.51 -1.10 -2.95 118.94 120.69 2nef s TRP 183 Ca 0.15 0.57 -0.15 0.00 -2.12 0.00 0.00 56.10 54.55 2nef s TRP 183 Cb -0.10 -4.36 0.19 0.00 -0.81 0.00 0.00 33.47 28.39 2nef s TRP 183 CO 0.06 -1.93 0.93 0.50 -0.51 0.00 0.00 176.95 176.00 2nef s ARG 184 N 5.22 3.66 0.14 4.98 3.52 -0.78 0.60 118.95 136.29 2nef s ARG 184 Ca 0.56 -2.30 -0.31 0.00 -0.13 0.00 0.00 55.73 53.55 2nef s ARG 184 Cb -0.12 -4.62 -0.08 0.00 -1.56 0.00 0.00 34.95 28.58 2nef s ARG 184 CO 0.29 -1.46 1.36 0.12 -0.81 0.00 0.00 175.30 174.79 2nef s PHE 185 N 0.92 3.26 -0.46 5.12 5.36 -1.26 -2.83 117.98 128.08 2nef s PHE 185 Ca 0.24 1.05 0.06 0.00 -0.96 0.00 0.00 56.93 57.32 2nef s PHE 185 Cb -0.08 -3.65 0.19 0.00 -0.34 0.00 0.00 43.02 39.15 2nef s PHE 185 CO -0.09 -2.18 0.59 -3.47 -1.46 0.00 0.00 175.22 168.61 2nef n ASP 186 N 3.54 -1.98 0.00 6.13 2.03 -0.95 -4.98 116.55 120.34 2nef n ASP 186 Ca 0.10 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.66 2nef n ASP 186 Cb 0.43 0.71 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 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 2.61 0.00 -0.18 1.67 3.41 -1.26 -1.20 113.62 118.66 2nef n SER 187 Ca 0.22 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.92 2nef n SER 187 Cb 0.54 -0.12 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.94 0.00 4.33 2.43 -1.93 -0.16 114.38 119.99 2nef h ARG 188 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2nef h ARG 188 Cb 0.70 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2nef h ARG 188 CO 0.00 0.79 0.00 -0.11 -1.51 0.00 0.00 179.97 179.14 2nef n LEU 189 N -4.30 0.00 0.00 3.80 0.00 -0.34 -0.91 117.00 115.25 2nef n LEU 189 Ca 0.05 0.20 0.13 0.00 0.00 0.00 0.00 56.01 56.38 2nef n LEU 189 Cb 0.19 -0.20 0.69 0.00 0.00 0.00 0.00 43.42 44.11 2nef n LEU 189 CO 0.40 -0.19 0.93 0.00 0.00 0.00 0.00 177.39 178.52 2nef n ALA 190 N -1.20 2.36 -0.63 1.96 0.00 -0.07 -2.91 120.51 120.02 2nef n ALA 190 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2nef n ALA 190 Cb 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.15 0.00 -3.27 0.00 3.01 -0.08 -4.90 117.46 111.07 2nef n PHE 191 Ca 0.15 -0.16 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2nef n PHE 191 Cb 0.15 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.32 -1.21 -0.75 1.38 3.76 -1.15 -5.10 115.29 111.90 2nef s HIS 192 Ca 0.00 1.30 -0.24 0.00 -0.15 0.00 0.00 55.06 55.97 2nef s HIS 192 Cb 0.00 0.30 0.05 0.00 1.11 0.00 0.00 32.58 34.05 2nef s HIS 192 CO 0.00 -0.79 1.17 -3.38 -0.85 0.00 0.00 174.74 170.89 2nef s HIS 193 N 2.70 2.51 0.18 1.40 -3.43 -1.26 -4.61 115.29 112.79 2nef s HIS 193 Ca 0.16 -0.41 0.08 0.00 -0.80 0.00 0.00 55.06 54.09 2nef s HIS 193 Cb -0.15 -4.49 0.02 0.00 -1.43 0.00 0.00 32.58 26.53 2nef s HIS 193 CO -0.18 -1.86 1.42 0.52 -2.00 0.00 0.00 174.74 172.63 2nef h MET 194 N 9.75 0.00 -0.85 -0.38 2.86 -1.99 -3.18 114.93 121.15 2nef h MET 194 Ca -0.20 -0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.63 2nef h MET 194 Cb 1.05 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.66 2nef h MET 194 CO 1.25 0.84 0.57 0.00 1.06 0.00 0.00 176.91 180.63 2nef h ALA 195 N 1.15 2.31 0.00 6.32 0.00 -1.89 0.44 119.26 127.59 2nef h ALA 195 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2nef h ALA 195 Cb 1.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2nef h ALA 195 CO 0.11 -0.57 -0.43 -0.09 0.00 0.00 0.00 179.25 178.27 2nef h ARG 196 N 0.32 0.00 -0.19 0.00 2.43 -1.62 -1.70 114.38 113.62 2nef h ARG 196 Ca 0.43 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.46 2nef h ARG 196 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2nef h ARG 196 CO -0.13 0.43 -0.43 1.49 -1.51 0.00 0.00 179.97 179.82 2nef h GLU 197 N 0.00 0.63 -0.00 0.20 4.81 -0.26 -3.33 114.58 116.63 2nef h GLU 197 Ca -0.00 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2nef h GLU 197 Cb 0.98 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2nef h GLU 197 CO 0.06 1.04 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.29 2nef h LEU 198 N 0.30 0.01 -7.70 1.64 4.07 -1.42 -3.47 115.31 108.74 2nef h LEU 198 Ca 0.00 -0.76 -0.15 0.00 0.08 0.00 0.00 57.88 57.05 2nef h LEU 198 Cb 1.04 -0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.56 2nef h LEU 198 CO 0.09 0.77 -0.47 -1.00 -1.08 0.00 0.00 178.44 176.75 2nef s HIS 199 N -3.17 -0.01 0.00 1.13 3.76 -0.64 -5.13 115.29 111.23 2nef s HIS 199 Ca -0.17 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2nef s HIS 199 Cb -0.01 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.66 2nef s HIS 199 CO 0.69 -0.28 0.00 -0.35 -0.85 0.00 0.00 174.74 173.95 2nef n PRO 200 N 1.61 0.00 0.00 8.40 -0.04 -1.26 -3.65 135.00 140.05 2nef n PRO 200 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2nef n PRO 200 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2nef n PRO 200 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nef n GLU 201 N 0.00 0.00 -1.10 0.54 2.13 -1.26 -4.67 120.64 116.29 2nef n GLU 201 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2nef n GLU 201 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2nef n TYR 202 N 0.00 1.28 -0.95 4.31 4.02 -1.26 -4.70 117.16 119.85 2nef n TYR 202 Ca 0.00 -2.26 -0.16 0.00 -0.01 0.00 0.00 57.90 55.47 2nef n TYR 202 Cb 0.00 -2.00 -0.13 0.00 -0.02 0.00 0.00 39.34 37.19 2nef n TYR 202 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2nef n PHE 203 N 3.18 0.43 -2.74 -0.72 1.16 -1.26 -4.90 117.46 112.60 2nef n PHE 203 Ca 0.59 -1.64 -0.33 0.00 -1.87 0.00 0.00 57.45 54.21 2nef n PHE 203 Cb 0.49 -1.64 -0.06 0.00 -1.61 0.00 0.00 39.48 36.67 2nef n PHE 203 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2nef s LYS 204 N 1.45 4.12 0.00 3.97 2.20 -1.26 -4.92 119.74 125.30 2nef s LYS 204 Ca 0.61 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 2nef s LYS 204 Cb 0.26 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 2nef s LYS 204 CO -0.01 -0.07 0.90 -1.71 -0.36 0.00 0.00 175.35 174.09 2nef n ASN 205 N -0.88 0.19 0.00 1.43 5.15 -1.26 -5.24 115.26 114.65 2nef n ASN 205 Ca 0.06 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 2nef n ASN 205 Cb 0.54 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66