#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 0.05 0.00 4.27 -1.26 -2.75 117.44 117.75 2nef n TRP 57 Ca 0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 2nef n TRP 57 Cb 0.00 -0.13 -0.15 0.00 -1.36 0.00 0.00 31.31 29.67 2nef n TRP 57 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2nef h LEU 58 N 0.00 0.49 0.00 5.67 4.07 -1.99 -3.45 115.31 120.10 2nef h LEU 58 Ca 0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.02 2nef h LEU 58 Cb 0.09 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2nef h LEU 58 CO 0.00 1.44 0.00 1.21 -1.08 0.00 0.00 178.44 180.01 2nef n GLU 59 N -4.07 0.00 -2.42 1.13 2.13 -1.11 -4.94 120.64 111.36 2nef n GLU 59 Ca -0.15 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.31 2nef n GLU 59 Cb 0.85 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.54 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 -3.65 2.98 -1.24 4.31 0.00 -1.26 -4.94 121.76 117.96 2nef s ALA 60 Ca 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2nef s ALA 60 Cb 0.00 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 19.98 2nef s ALA 60 CO 0.00 -0.43 2.22 0.94 0.00 0.00 0.00 175.76 178.49 2nef n GLN 61 N -0.46 4.82 0.00 0.00 7.27 -1.26 -4.21 117.38 123.54 2nef n GLN 61 Ca 0.07 -3.81 0.00 0.00 0.07 0.00 0.00 57.00 53.33 2nef n GLN 61 Cb 0.50 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.56 2nef n GLN 61 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2nef n GLU 62 N 1.26 0.00 -2.23 3.69 4.07 -1.26 -5.06 120.64 121.11 2nef n GLU 62 Ca 0.58 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.26 2nef n GLU 62 Cb 0.25 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.61 2nef n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2nef s GLU 63 N -1.89 3.23 -0.12 5.31 2.02 -1.26 -4.90 118.70 121.09 2nef s GLU 63 Ca 0.00 0.79 -0.33 0.00 0.02 0.00 0.00 54.97 55.45 2nef s GLU 63 Cb 0.00 -4.17 0.13 0.00 0.10 0.00 0.00 34.13 30.19 2nef s GLU 63 CO 0.00 -2.01 1.21 -1.83 0.02 0.00 0.00 175.26 172.65 2nef s GLU 64 N 5.74 0.38 -1.40 1.61 -1.05 -1.26 -4.88 118.70 117.84 2nef s GLU 64 Ca 0.63 -0.17 -0.09 0.00 -0.15 0.00 0.00 54.97 55.19 2nef s GLU 64 Cb -0.14 0.16 -0.12 0.00 -0.44 0.00 0.00 34.13 33.59 2nef s GLU 64 CO 0.28 -0.17 3.06 0.39 0.95 0.00 0.00 175.26 179.77 2nef n GLU 65 N -0.22 3.46 -3.64 -4.83 -0.58 -1.26 -4.73 120.64 108.84 2nef n GLU 65 Ca -0.03 -2.03 -0.05 0.00 -0.42 0.00 0.00 57.16 54.63 2nef n GLU 65 Cb 0.60 -2.68 -0.07 0.00 -0.57 0.00 0.00 31.44 28.71 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2nef s VAL 66 N 2.00 -0.79 0.00 2.62 1.01 -1.26 -5.12 120.40 118.86 2nef s VAL 66 Ca 0.70 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2nef s VAL 66 Cb 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2nef s VAL 66 CO -0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2nef n GLY 67 N 5.41 0.98 2.61 4.51 0.00 -1.26 -4.96 105.19 112.49 2nef n GLY 67 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2nef n GLY 67 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2nef n PHE 68 N 0.00 -1.56 -1.92 1.61 -1.74 -1.26 -5.09 117.46 107.50 2nef n PHE 68 Ca 0.00 -2.47 -0.40 0.00 -0.56 0.00 0.00 57.45 54.02 2nef n PHE 68 Cb 0.00 0.94 -0.03 0.00 1.52 0.00 0.00 39.48 41.91 2nef n PHE 68 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2nef s PRO 69 N -0.78 2.81 -0.60 3.97 0.04 -1.26 -4.94 135.00 134.24 2nef s PRO 69 Ca 0.26 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 2nef s PRO 69 Cb 0.36 -4.35 0.04 0.00 0.04 0.00 0.00 34.50 30.59 2nef s PRO 69 CO -0.05 -2.48 1.09 0.14 0.04 0.00 0.00 177.00 175.73 2nef s VAL 70 N 8.80 4.14 -0.33 -0.36 -7.23 -1.26 -4.96 120.40 119.20 2nef s VAL 70 Ca 0.79 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2nef s VAL 70 Cb -0.18 -4.68 0.11 0.00 0.56 0.00 0.00 36.38 32.18 2nef s VAL 70 CO 0.27 -1.34 0.11 0.42 -0.31 0.00 0.00 175.10 174.25 2nef s THR 71 N 4.61 1.14 0.00 5.32 -4.23 -1.26 -5.13 115.64 116.09 2nef s THR 71 Ca 0.35 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2nef s THR 71 Cb -0.10 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2nef s THR 71 CO 0.20 -0.70 0.00 -0.81 -0.54 0.00 0.00 174.62 172.77 2nef n PRO 72 N 4.57 1.46 -0.80 3.99 -0.04 -1.26 -4.30 135.00 138.62 2nef n PRO 72 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.28 2nef n PRO 72 Cb 0.41 0.00 -0.09 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 -0.01 0.00 -3.40 0.54 6.02 -1.26 -4.87 117.38 114.39 2nef n GLN 73 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2nef n GLN 73 Cb 0.00 -0.72 -0.03 0.00 1.02 0.00 0.00 30.24 30.51 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 3.31 5.05 -0.36 5.09 -7.23 -1.26 -4.94 120.40 120.05 2nef s VAL 74 Ca 0.72 0.03 -0.33 0.00 -1.81 0.00 0.00 61.98 60.59 2nef s VAL 74 Cb -0.61 -3.72 -0.14 0.00 0.56 0.00 0.00 36.38 32.47 2nef s VAL 74 CO 0.28 -0.27 1.34 -2.65 -0.31 0.00 0.00 175.10 173.49 2nef n PRO 75 N -0.81 0.00 -1.67 4.82 -0.02 -1.26 -4.69 135.00 131.37 2nef n PRO 75 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 2nef n PRO 75 Cb 0.54 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 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 3.22 3.33 0.69 2.45 1.43 -1.26 -4.94 118.68 123.59 2nef s LEU 76 Ca 0.81 0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 2nef s LEU 76 Cb -1.08 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2nef s LEU 76 CO 0.53 -2.88 1.08 -0.13 0.23 0.00 0.00 176.35 175.19 2nef s ARG 77 N 8.06 3.01 -0.29 1.70 3.00 -1.26 -4.99 118.95 128.18 2nef s ARG 77 Ca 0.90 0.55 -0.29 0.00 0.00 0.00 0.00 55.73 56.89 2nef s ARG 77 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 34.95 32.77 2nef s ARG 77 CO 0.23 -0.94 1.14 -1.25 0.00 0.00 0.00 175.30 174.47 2nef s PRO 78 N -5.30 4.07 -0.34 3.54 0.04 -1.26 -4.93 135.00 130.82 2nef s PRO 78 Ca 0.57 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 2nef s PRO 78 Cb -0.11 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 2nef s PRO 78 CO 0.52 -0.90 2.00 1.41 0.04 0.00 0.00 177.00 180.07 2nef s MET 79 N 3.70 3.08 0.33 4.56 1.75 -1.26 -4.95 119.30 126.51 2nef s MET 79 Ca 0.48 1.54 -0.15 0.00 -1.25 0.00 0.00 55.69 56.31 2nef s MET 79 Cb -0.14 -4.31 -0.09 0.00 2.84 0.00 0.00 34.83 33.13 2nef s MET 79 CO 0.16 -2.16 0.74 0.95 -0.65 0.00 0.00 175.02 174.06 2nef s THR 80 N 8.08 4.68 0.21 10.11 -4.23 -1.26 -4.88 115.64 128.36 2nef s THR 80 Ca 0.87 0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 62.21 2nef s THR 80 Cb -0.24 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.15 2nef s THR 80 CO 0.32 -0.21 1.70 0.22 -0.54 0.00 0.00 174.62 176.11 2nef h TYR 81 N 2.18 0.16 -0.20 3.99 3.20 -1.99 2.64 116.97 126.95 2nef h TYR 81 Ca -0.48 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.49 2nef h TYR 81 Cb 1.18 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2nef h TYR 81 CO 0.62 -0.05 0.15 -0.22 -1.64 0.00 0.00 178.16 177.01 2nef h LYS 82 N 0.23 0.00 -0.63 1.82 3.64 -1.98 -0.57 116.57 119.08 2nef h LYS 82 Ca 0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2nef h LYS 82 Cb 0.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2nef h LYS 82 CO -0.42 0.00 0.27 0.00 -2.27 0.00 0.00 179.45 177.03 2nef h ALA 83 N 1.89 0.82 0.05 5.00 0.00 0.42 0.21 119.26 127.66 2nef h ALA 83 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nef h ALA 83 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2nef h ALA 83 CO -0.00 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 2nef h ALA 84 N 1.11 -0.07 -0.46 0.00 0.00 -0.26 0.99 119.26 120.57 2nef h ALA 84 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2nef h ALA 84 Cb 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2nef h ALA 84 CO -0.02 -0.45 0.15 0.28 0.00 0.00 0.00 179.25 179.21 2nef h VAL 85 N -0.25 1.22 -0.28 0.00 2.07 -1.34 0.35 116.25 118.02 2nef h VAL 85 Ca -0.01 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2nef h VAL 85 Cb 0.23 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2nef h VAL 85 CO 0.01 0.27 0.18 0.44 0.02 0.00 0.00 177.57 178.49 2nef h ASP 86 N 0.61 0.33 -0.80 0.57 5.19 -0.49 -1.78 116.42 120.05 2nef h ASP 86 Ca 0.15 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2nef h ASP 86 Cb 0.26 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 2nef h ASP 86 CO -0.01 0.26 0.41 0.25 -3.12 0.00 0.00 179.24 177.04 2nef h LEU 87 N 0.37 1.02 -0.24 1.55 5.85 -0.49 0.80 115.31 124.15 2nef h LEU 87 Ca 0.10 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2nef h LEU 87 Cb -0.02 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2nef h LEU 87 CO -0.02 0.84 -0.10 0.77 -0.34 0.00 0.00 178.44 179.59 2nef h SER 88 N 1.11 -0.34 0.88 1.25 4.64 0.41 -1.00 113.55 120.50 2nef h SER 88 Ca 0.28 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 2nef h SER 88 Cb 0.07 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2nef h SER 88 CO -0.04 -0.13 -0.41 0.45 -0.87 0.00 0.00 176.83 175.82 2nef h HIS 89 N -0.06 0.00 0.93 4.77 3.86 -1.04 -2.64 115.15 120.97 2nef h HIS 89 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2nef h HIS 89 Cb 0.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.73 2nef h HIS 89 CO -0.28 0.41 -0.46 0.35 0.86 0.00 0.00 177.93 178.81 2nef h PHE 90 N 0.00 -1.21 0.00 2.45 3.04 0.45 -2.09 116.94 119.58 2nef h PHE 90 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2nef h PHE 90 Cb 0.97 0.41 0.00 0.00 2.56 0.00 0.00 35.95 39.88 2nef h PHE 90 CO 0.00 -0.74 0.00 -0.07 -2.02 0.00 0.00 178.31 175.48 2nef h LEU 91 N -1.27 0.00 0.45 0.59 3.38 -1.40 -3.12 115.31 113.94 2nef h LEU 91 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2nef h LEU 91 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2nef h LEU 91 CO 0.20 0.00 -0.22 0.50 0.09 0.00 0.00 178.44 179.01 2nef h LYS 92 N 0.00 -0.58 0.09 1.13 3.64 -0.99 2.21 116.57 122.07 2nef h LYS 92 Ca 0.00 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2nef h LYS 92 Cb 0.18 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2nef h LYS 92 CO 0.00 -0.33 -0.04 0.93 -2.27 0.00 0.00 179.45 177.74 2nef h GLU 93 N -0.72 -0.11 0.11 1.90 5.08 -1.50 -3.20 114.58 116.14 2nef h GLU 93 Ca -0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2nef h GLU 93 Cb 0.52 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2nef h GLU 93 CO 0.10 -0.08 -0.05 0.87 -1.00 0.00 0.00 179.01 178.85 2nef h LYS 94 N -0.19 -0.15 0.00 2.33 6.56 -1.70 -3.38 116.57 120.05 2nef h LYS 94 Ca -0.01 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2nef h LYS 94 Cb 0.09 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2nef h LYS 94 CO 0.02 0.26 0.00 0.41 -2.06 0.00 0.00 179.45 178.08 2nef n GLY 95 N 1.06 -3.06 1.18 3.86 0.00 0.02 -4.60 105.19 103.65 2nef n GLY 95 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.97 0.87 0.13 -0.02 0.00 0.73 -4.83 105.19 101.11 2nef n GLY 96 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -9.55 0.99 5.85 -1.85 -3.43 115.31 107.32 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 0.84 0.00 0.16 0.00 0.37 0.00 0.00 40.66 42.03 2nef h LEU 97 CO 0.00 0.49 -0.26 1.21 -0.34 0.00 0.00 178.44 179.54 2nef n GLU 98 N -3.15 0.64 -0.39 1.25 2.13 -1.26 -0.93 120.64 118.93 2nef n GLU 98 Ca -0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2nef n GLU 98 Cb 0.74 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.67 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 1.65 0.00 3.65 8.31 0.00 -0.83 -4.86 105.19 113.11 2nef n GLY 99 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.27 0.99 2.96 -0.11 -4.76 118.68 121.55 2nef s LEU 100 Ca 0.00 1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 55.10 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 -0.86 2.15 -0.63 -1.32 0.00 0.00 176.35 175.68 2nef s ILE 101 N 3.77 3.11 -0.34 6.68 -1.09 -1.26 -2.68 121.20 129.38 2nef s ILE 101 Ca 0.54 0.10 -0.28 0.00 -2.23 0.00 0.00 60.65 58.78 2nef s ILE 101 Cb -0.19 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2nef s ILE 101 CO 0.16 -0.10 2.09 -2.28 -1.23 0.00 0.00 174.94 173.59 2nef s HIS 102 N 8.38 1.39 0.00 3.97 5.65 1.27 -4.87 115.29 131.08 2nef s HIS 102 Ca 0.96 0.78 0.00 0.00 0.25 0.00 0.00 55.06 57.05 2nef s HIS 102 Cb -0.29 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.17 2nef s HIS 102 CO 0.34 -3.27 0.00 -1.13 -0.65 0.00 0.00 174.74 170.03 2nef n SER 103 N 12.16 0.00 -2.76 9.88 3.41 -1.26 -3.31 113.62 131.75 2nef n SER 103 Ca 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.87 2nef n SER 103 Cb 0.48 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nef n GLN 104 N 0.00 1.50 0.00 4.33 1.13 -1.26 -4.82 117.38 118.26 2nef n GLN 104 Ca 0.00 -2.68 0.00 0.00 -1.94 0.00 0.00 57.00 52.38 2nef n GLN 104 Cb 0.00 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2nef n GLN 104 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2nef n ARG 105 N -0.80 0.00 0.18 -1.09 1.85 -1.26 -4.92 116.66 110.62 2nef n ARG 105 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 2nef n ARG 105 Cb 0.83 0.00 0.50 0.00 -1.05 0.00 0.00 32.46 32.74 2nef n ARG 105 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 2nef h ARG 106 N 0.00 0.00 -0.02 2.89 -0.00 -1.99 -1.55 114.38 113.72 2nef h ARG 106 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2nef h ARG 106 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2nef h ARG 106 CO 0.00 0.00 0.01 -0.56 -0.00 0.00 0.00 179.97 179.42 2nef h GLN 107 N 0.00 0.02 -0.46 0.08 3.07 -1.95 -1.37 115.11 114.50 2nef h GLN 107 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2nef h GLN 107 Cb 0.39 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2nef h GLN 107 CO 0.00 0.13 0.27 -0.44 0.09 0.00 0.00 178.83 178.88 2nef h ASP 108 N -0.10 0.56 -0.83 0.06 3.32 -1.68 -2.07 116.42 115.69 2nef h ASP 108 Ca 0.01 -0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.16 2nef h ASP 108 Cb 0.12 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.42 2nef h ASP 108 CO -0.00 0.47 0.34 0.40 -1.72 0.00 0.00 179.24 178.73 2nef h ILE 109 N 0.61 0.57 0.01 0.35 1.08 -1.44 0.75 117.51 119.44 2nef h ILE 109 Ca 0.16 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2nef h ILE 109 Cb 0.02 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 33.87 2nef h ILE 109 CO -0.03 0.08 -0.01 0.25 -0.69 0.00 0.00 178.15 177.75 2nef h LEU 110 N 0.43 -0.02 -1.31 1.44 5.85 -0.52 0.67 115.31 121.85 2nef h LEU 110 Ca 0.48 0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.44 2nef h LEU 110 Cb 0.81 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 2nef h LEU 110 CO -0.46 -0.01 0.64 0.44 -0.34 0.00 0.00 178.44 178.71 2nef h ASP 111 N -0.01 0.52 0.58 1.25 3.32 -1.39 -1.83 116.42 118.85 2nef h ASP 111 Ca -0.00 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2nef h ASP 111 Cb 0.01 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2nef h ASP 111 CO -0.00 0.14 -0.28 0.25 -1.72 0.00 0.00 179.24 177.64 2nef h LEU 112 N 0.48 -0.65 -0.80 1.55 6.46 -0.14 -2.32 115.31 119.88 2nef h LEU 112 Ca 0.56 -0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.48 2nef h LEU 112 Cb 1.29 0.17 -0.14 0.00 -0.73 0.00 0.00 40.66 41.26 2nef h LEU 112 CO -0.29 -0.29 0.06 -0.25 -0.62 0.00 0.00 178.44 177.04 2nef h TRP 113 N -1.07 0.04 -0.15 1.25 7.01 0.11 1.49 115.95 124.65 2nef h TRP 113 Ca -0.08 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 2nef h TRP 113 Cb 0.65 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 2nef h TRP 113 CO 0.01 -0.24 0.08 0.82 -2.79 0.00 0.00 178.44 176.32 2nef h ILE 114 N 0.13 1.05 0.44 2.65 2.04 -1.36 -2.51 117.51 119.95 2nef h ILE 114 Ca 0.45 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 2nef h ILE 114 Cb 0.83 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2nef h ILE 114 CO -0.68 0.05 -0.21 0.22 0.00 0.00 0.00 178.15 177.53 2nef h TYR 115 N 0.20 -0.55 0.00 1.37 3.20 0.27 0.15 116.97 121.60 2nef h TYR 115 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2nef h TYR 115 Cb 0.00 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2nef h TYR 115 CO 0.00 -0.34 0.02 0.72 -1.64 0.00 0.00 178.16 176.92 2nef n HIS 116 N -4.12 0.37 0.00 -3.82 8.25 -0.85 -1.09 115.22 113.96 2nef n HIS 116 Ca -0.07 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2nef n HIS 116 Cb 0.23 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -1.88 0.00 0.16 1.59 -2.24 -0.95 -4.40 114.28 106.56 2nef n THR 117 Ca -0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2nef n THR 117 Cb 0.04 -0.92 0.07 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.20 -0.78 4.20 -1.05 -3.46 115.11 113.81 2nef h GLN 118 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2nef h GLN 118 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2nef h GLN 118 CO 0.00 0.24 -0.08 0.41 -0.67 0.00 0.00 178.83 178.73 2nef n GLY 119 N 1.18 0.70 3.73 3.46 0.00 0.29 -4.74 105.19 109.81 2nef n GLY 119 Ca 0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.06 3.42 0.12 1.61 2.02 -1.25 -4.79 117.35 116.41 2nef s TYR 120 Ca 0.00 1.36 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 2nef s TYR 120 Cb 0.00 -3.44 -0.07 0.00 -0.40 0.00 0.00 41.96 38.05 2nef s TYR 120 CO 0.00 -1.29 1.15 0.12 -1.57 0.00 0.00 175.55 173.96 2nef s PHE 121 N 0.29 3.51 0.00 2.71 5.36 -1.26 -4.58 117.98 124.01 2nef s PHE 121 Ca 0.55 1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 57.96 2nef s PHE 121 Cb -0.32 -3.35 -0.06 0.00 -0.34 0.00 0.00 43.02 38.94 2nef s PHE 121 CO 0.34 -0.95 2.01 -0.35 -1.46 0.00 0.00 175.22 174.82 2nef n PRO 122 N 3.13 1.03 -0.06 10.12 -0.04 -1.26 -4.22 135.00 143.71 2nef n PRO 122 Ca 0.06 -0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2nef n PRO 122 Cb 0.46 -1.34 0.34 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 1.90 0.85 -0.02 3.54 5.68 -1.26 -3.29 116.55 123.95 2nef n ASP 123 Ca 0.10 -1.71 0.06 0.00 -0.50 0.00 0.00 54.79 52.75 2nef n ASP 123 Cb 0.50 -0.07 -0.14 0.00 -1.14 0.00 0.00 41.12 40.26 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N -0.16 0.00 -2.43 2.11 4.27 -1.26 -4.81 117.44 115.16 2nef n TRP 124 Ca 0.12 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.35 2nef n TRP 124 Cb 0.18 -0.49 -0.03 0.00 -1.36 0.00 0.00 31.31 29.61 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -3.13 3.24 -0.39 -2.67 0.74 -1.21 -4.41 119.66 111.84 2nef s GLN 125 Ca -0.07 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.73 2nef s GLN 125 Cb 0.11 -4.95 0.16 0.00 1.10 0.00 0.00 33.01 29.42 2nef s GLN 125 CO 0.75 -2.43 0.32 -0.80 -0.55 0.00 0.00 175.29 172.58 2nef s ASN 126 N 5.44 1.75 0.00 6.67 0.02 -1.26 -5.10 114.94 122.46 2nef s ASN 126 Ca 0.49 -2.40 0.00 0.00 -1.02 0.00 0.00 52.86 49.93 2nef s ASN 126 Cb -0.04 -0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.14 2nef s ASN 126 CO -0.00 -0.23 0.00 -1.22 0.02 0.00 0.00 177.10 175.67 2nef n TYR 127 N 3.54 -0.25 -3.49 2.20 4.02 -1.26 -2.68 117.16 119.23 2nef n TYR 127 Ca 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.93 2nef n TYR 127 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.71 2nef n TYR 127 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2nef s THR 128 N 0.00 0.00 0.00 -0.72 -1.32 -0.94 -4.52 115.64 108.13 2nef s THR 128 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2nef s THR 128 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2nef s THR 128 CO 0.00 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.60 2nef n PRO 129 N 0.44 1.02 0.00 7.08 -0.04 -1.26 -3.96 135.00 138.28 2nef n PRO 129 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2nef n PRO 129 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 1.73 -0.81 3.04 0.55 0.00 -1.26 -4.70 105.19 103.74 2nef n GLY 130 Ca 0.00 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 2nef n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nef n PRO 131 N 0.00 -1.29 0.22 1.61 -0.02 -1.26 -4.68 135.00 129.58 2nef n PRO 131 Ca 0.00 -0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.22 2nef n PRO 131 Cb 0.00 -1.36 0.60 0.00 -0.02 0.00 0.00 33.50 32.72 2nef n PRO 131 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2nef h GLY 132 N -2.06 0.00 -7.34 -1.23 0.00 -1.99 -3.37 103.07 87.08 2nef h GLY 132 Ca -0.32 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.46 2nef h GLY 132 CO 0.20 0.00 1.08 -0.42 0.00 0.00 0.00 176.54 177.40 2nef s ILE 133 N -3.64 3.75 -0.45 2.60 -1.09 -1.26 -4.31 121.20 116.80 2nef s ILE 133 Ca -0.02 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.41 2nef s ILE 133 Cb 0.06 -4.92 0.02 0.00 -1.58 0.00 0.00 42.46 36.04 2nef s ILE 133 CO 0.20 -1.86 1.31 -0.13 -1.23 0.00 0.00 174.94 173.24 2nef s ARG 134 N 5.64 3.60 0.26 2.79 1.81 -1.08 -4.87 118.95 127.11 2nef s ARG 134 Ca 0.35 0.75 -0.18 0.00 -1.72 0.00 0.00 55.73 54.93 2nef s ARG 134 Cb -0.08 -3.99 -0.09 0.00 -0.45 0.00 0.00 34.95 30.34 2nef s ARG 134 CO 0.13 -1.54 0.74 0.71 -0.68 0.00 0.00 175.30 174.66 2nef s TYR 135 N 5.14 3.56 -0.36 -0.53 1.51 -1.25 -2.93 117.35 122.49 2nef s TYR 135 Ca 0.56 1.35 -0.23 0.00 -1.01 0.00 0.00 57.07 57.74 2nef s TYR 135 Cb -0.11 -2.61 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 2nef s TYR 135 CO 0.32 0.25 0.78 -1.25 -1.11 0.00 0.00 175.55 174.54 2nef s PRO 136 N -2.29 3.75 0.49 -1.71 0.04 -1.26 -2.22 135.00 131.80 2nef s PRO 136 Ca 0.47 0.31 0.20 0.00 0.04 0.00 0.00 61.00 62.02 2nef s PRO 136 Cb -0.15 -3.81 1.26 0.00 0.04 0.00 0.00 34.50 31.85 2nef s PRO 136 CO 0.20 -0.84 2.07 -0.07 0.04 0.00 0.00 177.00 178.39 2nef h LEU 137 N 9.72 0.00-10.20 -3.56 3.38 -1.74 -3.42 115.31 109.49 2nef h LEU 137 Ca -0.25 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.29 2nef h LEU 137 Cb 1.09 0.00 0.20 0.00 0.09 0.00 0.00 40.66 42.04 2nef h LEU 137 CO 0.91 0.12 0.04 -0.89 0.09 0.00 0.00 178.44 178.71 2nef s THR 138 N -4.58 1.89 0.00 0.22 2.01 -1.26 -4.65 115.64 109.27 2nef s THR 138 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2nef s THR 138 Cb 0.15 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.46 2nef s THR 138 CO 0.65 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.91 2nef n PHE 139 N -4.84 0.00 0.21 4.92 7.35 -1.26 -4.62 117.46 119.23 2nef n PHE 139 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 2nef n PHE 139 Cb 0.56 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.77 2nef n PHE 139 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2nef h GLY 140 N 0.00 0.00 -7.29 7.13 0.00 -1.84 -3.36 103.07 97.72 2nef h GLY 140 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2nef h GLY 140 CO 0.00 0.00 1.11 0.86 0.00 0.00 0.00 176.54 178.51 2nef s TRP 141 N -4.16 2.00 -0.12 5.60 -0.00 -1.26 -3.55 118.94 117.45 2nef s TRP 141 Ca -0.02 0.24 -0.03 0.00 -0.00 0.00 0.00 56.10 56.30 2nef s TRP 141 Cb 0.06 -4.29 -0.03 0.00 -0.00 0.00 0.00 33.47 29.21 2nef s TRP 141 CO 0.21 -1.98 2.60 0.00 -0.00 0.00 0.00 176.95 177.78 2nef s TYR 143 N -0.26 2.42 -0.04 0.00 2.02 -1.26 -1.66 117.35 118.57 2nef s TYR 143 Ca 0.34 -1.44 0.03 0.00 -0.37 0.00 0.00 57.07 55.63 2nef s TYR 143 Cb 0.19 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 2nef s TYR 143 CO -0.03 -0.73 -0.13 -1.59 -1.57 0.00 0.00 175.55 171.50 2nef s LYS 144 N 1.40 1.42 0.42 -0.62 -2.85 -1.17 -4.56 119.74 113.78 2nef s LYS 144 Ca 0.03 -0.47 -0.21 0.00 -1.00 0.00 0.00 55.97 54.32 2nef s LYS 144 Cb -0.14 -1.26 -0.11 0.00 -2.06 0.00 0.00 37.83 34.26 2nef s LYS 144 CO -0.11 0.18 0.94 -0.51 0.10 0.00 0.00 175.35 175.96 2nef s LEU 145 N 0.13 3.99 -0.20 2.77 1.43 -1.15 -0.64 118.68 125.01 2nef s LEU 145 Ca -0.04 1.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 2nef s LEU 145 Cb -0.10 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.70 2nef s LEU 145 CO 0.01 -0.32 0.52 -0.69 0.23 0.00 0.00 176.35 176.10 2nef s VAL 146 N -2.11 -0.00 1.09 -1.59 1.01 -0.02 -2.62 120.40 116.16 2nef s VAL 146 Ca 0.60 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 2nef s VAL 146 Cb -0.10 -0.74 0.27 0.00 0.00 0.00 0.00 36.38 35.80 2nef s VAL 146 CO 0.14 0.01 1.08 -0.81 0.00 0.00 0.00 175.10 175.52 2nef n PRO 147 N 3.23 -2.57 0.00 2.72 -0.04 -1.26 -1.47 135.00 135.62 2nef n PRO 147 Ca -0.16 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2nef n PRO 147 Cb 0.56 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2nef n VAL 148 N -4.47 0.00 -2.92 0.52 0.31 -1.26 -4.78 118.33 105.73 2nef n VAL 148 Ca 0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.34 2nef n VAL 148 Cb 0.55 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.50 2nef n VAL 148 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nef n GLU 149 N 0.00 0.87 0.00 5.55 1.02 -1.26 -5.13 120.64 121.69 2nef n GLU 149 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 2nef n GLU 149 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2nef n GLU 149 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2nef n PRO 150 N 0.97 1.83 -1.42 3.49 -0.04 -1.26 -5.00 135.00 133.57 2nef n PRO 150 Ca 0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 2nef n PRO 150 Cb 0.63 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.19 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 0.15 2.09 -0.05 0.54 0.41 -1.26 -4.87 118.70 115.72 2nef s GLU 151 Ca 0.00 1.84 0.04 0.00 -0.41 0.00 0.00 54.97 56.45 2nef s GLU 151 Cb 0.00 -1.82 0.21 0.00 -1.78 0.00 0.00 34.13 30.74 2nef s GLU 151 CO 0.00 -1.89 0.92 0.36 -0.49 0.00 0.00 175.26 174.16 2nef n LYS 152 N -2.67 1.90 -2.05 1.61 2.85 -1.26 -4.89 118.16 113.64 2nef n LYS 152 Ca 0.14 -0.81 -0.30 0.00 -1.05 0.00 0.00 58.31 56.29 2nef n LYS 152 Cb 0.50 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 33.32 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2nef s LEU 153 N -0.81 3.31 -0.30 -5.58 1.43 -1.26 -5.07 118.68 110.39 2nef s LEU 153 Ca 0.14 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 2nef s LEU 153 Cb 0.10 -4.29 0.16 0.00 0.03 0.00 0.00 46.19 42.18 2nef s LEU 153 CO 0.06 -0.83 0.76 -1.83 0.23 0.00 0.00 176.35 174.73 2nef s GLU 154 N -5.09 0.47 0.00 1.70 -1.05 -1.26 -5.03 118.70 108.45 2nef s GLU 154 Ca 0.53 1.07 0.00 0.00 -0.15 0.00 0.00 54.97 56.42 2nef s GLU 154 Cb -0.11 0.63 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 2nef s GLU 154 CO 0.52 -0.28 0.00 -1.91 0.95 0.00 0.00 175.26 174.54 2nef n GLU 155 N 5.33 0.00 -2.82 -4.83 2.13 -1.26 -5.02 120.64 114.17 2nef n GLU 155 Ca -0.08 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.63 2nef n GLU 155 Cb 0.51 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.27 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 -1.77 -0.46 -1.45 4.31 0.00 -1.26 -5.14 120.51 114.75 2nef n ALA 156 Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 53.44 51.28 2nef n ALA 156 Cb 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2nef n ALA 156 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2nef n ASN 157 N 0.80 -0.56 0.00 0.00 4.05 -1.26 -4.85 115.26 113.44 2nef n ASN 157 Ca 0.10 0.71 0.00 0.00 0.45 0.00 0.00 54.58 55.84 2nef n ASN 157 Cb 0.66 -1.25 0.00 0.00 1.23 0.00 0.00 39.78 40.42 2nef n ASN 157 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2nef n LYS 158 N -0.56 0.00 -3.67 1.20 2.85 -1.26 -5.11 118.16 111.61 2nef n LYS 158 Ca 0.12 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.30 2nef n LYS 158 Cb 0.48 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.77 2nef n LYS 158 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2nef s ASP 174 N -0.60 -0.66 0.50 -5.58 2.15 -1.26 -5.16 116.67 106.06 2nef s ASP 174 Ca 0.00 1.16 -0.11 0.00 0.43 0.00 0.00 52.55 54.02 2nef s ASP 174 Cb 0.00 1.21 -0.06 0.00 -0.30 0.00 0.00 42.92 43.77 2nef s ASP 174 CO 0.00 -0.22 0.89 -1.81 -0.17 0.00 0.00 175.17 173.87 2nef s ASP 175 N 1.84 6.44 0.00 -0.34 1.11 -1.26 -5.03 116.67 119.44 2nef s ASP 175 Ca -0.08 1.29 0.00 0.00 0.18 0.00 0.00 52.55 53.94 2nef s ASP 175 Cb -0.08 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.51 2nef s ASP 175 CO -0.15 -0.59 0.00 -2.65 1.18 0.00 0.00 175.17 172.96 2nef n PRO 176 N -1.86 0.00 0.00 8.23 -0.02 -1.26 -4.73 135.00 135.35 2nef n PRO 176 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2nef n PRO 176 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 177 N 0.00 3.42 -0.29 -0.52 1.02 -1.26 -4.78 120.64 118.23 2nef n GLU 177 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2nef n GLU 177 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 2nef n GLU 177 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nef n ARG 178 N 0.00 1.24 -2.45 3.49 1.74 -1.26 -4.81 116.66 114.61 2nef n ARG 178 Ca 0.00 -0.57 -0.40 0.00 -0.77 0.00 0.00 57.85 56.11 2nef n ARG 178 Cb 0.00 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2nef n ARG 178 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2nef s GLU 179 N -0.63 3.12 0.00 5.56 0.41 -1.26 -4.95 118.70 120.96 2nef s GLU 179 Ca 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 2nef s GLU 179 Cb 0.09 -4.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.04 2nef s GLU 179 CO 0.02 -2.30 0.00 0.28 -0.49 0.00 0.00 175.26 172.77 2nef n VAL 180 N 6.64 0.00 -4.27 2.63 0.31 -1.26 -4.67 118.33 117.70 2nef n VAL 180 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 2nef n VAL 180 Cb 0.50 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.32 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 2.88 0.07 7.52 1.43 -1.21 -4.37 118.68 125.00 2nef s LEU 181 Ca 0.00 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2nef s LEU 181 Cb 0.00 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2nef s LEU 181 CO 0.00 0.18 -0.25 -1.83 0.23 0.00 0.00 176.35 174.68 2nef s GLU 182 N -2.16 1.57 0.51 1.70 -1.05 -0.54 0.39 118.70 119.12 2nef s GLU 182 Ca 0.20 -1.13 -0.20 0.00 -0.15 0.00 0.00 54.97 53.69 2nef s GLU 182 Cb -0.11 -1.82 -0.07 0.00 -0.44 0.00 0.00 34.13 31.69 2nef s GLU 182 CO 0.12 0.46 1.07 -1.58 0.95 0.00 0.00 175.26 176.28 2nef s TRP 183 N -0.89 2.88 -0.32 4.83 0.51 -1.09 -0.84 118.94 124.02 2nef s TRP 183 Ca 0.11 1.56 -0.00 0.00 -2.12 0.00 0.00 56.10 55.65 2nef s TRP 183 Cb -0.10 -3.14 0.10 0.00 -0.81 0.00 0.00 33.47 29.52 2nef s TRP 183 CO 0.03 -1.10 0.10 1.03 -0.51 0.00 0.00 176.95 176.50 2nef s ARG 184 N -3.28 0.84 0.17 4.98 1.81 0.19 -1.96 118.95 121.70 2nef s ARG 184 Ca 0.69 -1.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.16 2nef s ARG 184 Cb -0.19 -2.14 -0.08 0.00 -0.45 0.00 0.00 34.95 32.08 2nef s ARG 184 CO 0.23 -1.00 1.34 0.12 -0.68 0.00 0.00 175.30 175.31 2nef s PHE 185 N 1.44 3.24 -0.48 -0.53 2.19 -1.26 -3.06 117.98 119.52 2nef s PHE 185 Ca 0.11 1.11 0.06 0.00 0.33 0.00 0.00 56.93 58.54 2nef s PHE 185 Cb -0.18 -3.64 0.20 0.00 -1.31 0.00 0.00 43.02 38.09 2nef s PHE 185 CO -0.21 -2.09 0.67 -3.47 1.83 0.00 0.00 175.22 171.94 2nef n ASP 186 N 3.12 -2.45 0.00 6.13 2.03 -0.66 -4.98 116.55 119.74 2nef n ASP 186 Ca 0.08 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.52 2nef n ASP 186 Cb 0.43 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 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 2.52 0.00 0.07 1.67 2.88 -1.26 -1.47 113.62 118.04 2nef n SER 187 Ca 0.19 0.12 0.04 0.00 -1.33 0.00 0.00 58.87 57.89 2nef n SER 187 Cb 0.56 -0.12 0.46 0.00 -0.75 0.00 0.00 64.21 64.35 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2nef h ARG 188 N 0.00 0.38 0.00 -1.46 3.08 -1.93 0.15 114.38 114.60 2nef h ARG 188 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2nef h ARG 188 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2nef h ARG 188 CO 0.00 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 2nef n LEU 189 N -4.45 0.00 0.00 3.04 4.77 -0.54 -1.50 117.00 118.33 2nef n LEU 189 Ca 0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2nef n LEU 189 Cb 0.11 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.72 2nef n LEU 189 CO 0.36 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 177.23 2nef n ALA 190 N -0.95 2.09 0.00 -1.18 0.00 0.52 -4.03 120.51 116.96 2nef n ALA 190 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2nef n ALA 190 Cb 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.24 0.00 -2.50 0.00 3.72 -0.56 -5.00 117.46 111.89 2nef n PHE 191 Ca 0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.16 2nef n PHE 191 Cb 0.14 0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -1.95 2.94 -0.49 1.38 2.46 -1.15 -5.02 115.29 113.46 2nef s HIS 192 Ca 0.00 1.57 0.04 0.00 0.47 0.00 0.00 55.06 57.14 2nef s HIS 192 Cb 0.00 -3.10 0.16 0.00 -0.13 0.00 0.00 32.58 29.51 2nef s HIS 192 CO 0.00 -0.95 0.36 -3.38 -2.47 0.00 0.00 174.74 168.30 2nef s HIS 193 N -1.94 1.85 -0.10 3.88 -3.43 -1.26 -4.60 115.29 109.68 2nef s HIS 193 Ca 0.68 -2.58 -0.02 0.00 -0.80 0.00 0.00 55.06 52.35 2nef s HIS 193 Cb -0.18 -1.52 -0.02 0.00 -1.43 0.00 0.00 32.58 29.44 2nef s HIS 193 CO 0.21 -0.74 0.04 1.98 -2.00 0.00 0.00 174.74 174.22 2nef h MET 194 N 5.78 0.00 -0.32 -0.38 4.05 -1.95 -3.30 114.93 118.81 2nef h MET 194 Ca 0.19 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.70 2nef h MET 194 Cb 0.87 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2nef h MET 194 CO 0.47 0.06 0.67 0.00 0.23 0.00 0.00 176.91 178.34 2nef h ALA 195 N -0.94 2.01 -0.18 0.39 0.00 -1.92 0.29 119.26 118.90 2nef h ALA 195 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2nef h ALA 195 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2nef h ALA 195 CO -0.00 -0.83 -0.38 -0.09 0.00 0.00 0.00 179.25 177.94 2nef h ARG 196 N 0.00 0.57 0.00 0.00 2.43 -1.83 -2.88 114.38 112.67 2nef h ARG 196 Ca 0.15 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2nef h ARG 196 Cb 1.49 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2nef h ARG 196 CO -0.00 0.99 0.00 0.93 -1.51 0.00 0.00 179.97 180.38 2nef h GLU 197 N 0.23 0.00 0.03 0.20 5.08 -0.53 -0.03 114.58 119.57 2nef h GLU 197 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2nef h GLU 197 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2nef h GLU 197 CO 0.08 0.00 -1.01 -0.07 -1.00 0.00 0.00 179.01 177.01 2nef h LEU 198 N 0.00 0.52 -5.64 1.33 4.07 -1.29 -3.40 115.31 110.91 2nef h LEU 198 Ca 0.00 -0.45 -0.41 0.00 0.08 0.00 0.00 57.88 57.10 2nef h LEU 198 Cb 0.41 -0.16 -0.31 0.00 1.08 0.00 0.00 40.66 41.68 2nef h LEU 198 CO 0.00 1.27 -0.91 1.41 -1.08 0.00 0.00 178.44 179.13 2nef n HIS 199 N -3.71 -1.15 0.44 1.13 8.25 -1.01 -4.94 115.22 114.22 2nef n HIS 199 Ca -0.07 -3.08 0.12 0.00 -0.26 0.00 0.00 57.72 54.43 2nef n HIS 199 Cb 0.88 0.33 0.26 0.00 1.12 0.00 0.00 29.99 32.58 2nef n HIS 199 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2nef h PRO 200 N 3.44 0.00 -0.15 -0.41 0.13 -1.22 -3.32 132.00 130.46 2nef h PRO 200 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 2nef h PRO 200 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2nef h PRO 200 CO 0.39 0.00 0.11 1.49 -0.23 0.00 0.00 178.00 179.76 2nef h GLU 201 N 0.00 0.00 0.00 0.86 4.57 -1.92 -3.30 114.58 114.79 2nef h GLU 201 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2nef h GLU 201 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2nef h GLU 201 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 2nef n TYR 202 N -4.49 0.00 -2.00 0.92 4.02 -1.25 -4.98 117.16 109.38 2nef n TYR 202 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2nef n TYR 202 Cb 0.24 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 -0.72 -3.10 0.00 -0.72 1.16 -1.24 -5.06 117.46 107.78 2nef n PHE 203 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2nef n PHE 203 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2nef n PHE 203 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2nef n LYS 204 N -0.90 0.00 0.00 3.97 4.81 -1.26 -4.70 118.16 120.08 2nef n LYS 204 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2nef n LYS 204 Cb 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 34.94 2nef n LYS 204 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2nef n ASN 205 N -1.80 0.00 0.00 3.14 6.94 -1.26 -5.13 115.26 117.16 2nef n ASN 205 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2nef n ASN 205 Cb 0.00 0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23