#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 0.99 0.00 7.02 -1.26 -3.76 117.44 120.42 2nef n TRP 57 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2nef n TRP 57 Cb 0.00 0.00 0.48 0.00 -2.42 0.00 0.00 31.31 29.37 2nef n TRP 57 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2nef n LEU 58 N -0.20 0.19 0.03 -0.99 7.99 -1.26 -4.17 117.00 118.60 2nef n LEU 58 Ca 0.00 0.33 -0.02 0.00 -0.01 0.00 0.00 56.01 56.31 2nef n LEU 58 Cb 0.00 -0.41 -0.01 0.00 -0.11 0.00 0.00 43.42 42.89 2nef n LEU 58 CO 0.00 0.04 0.11 -0.33 -1.51 0.00 0.00 177.39 175.70 2nef h GLU 59 N 0.00 -0.13 -6.01 3.23 5.08 -2.08 -3.41 114.58 111.26 2nef h GLU 59 Ca 0.00 0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 2nef h GLU 59 Cb 0.51 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2nef h GLU 59 CO 0.00 -0.08 1.35 0.00 -1.00 0.00 0.00 179.01 179.28 2nef s ALA 60 N -3.12 2.25 0.00 3.43 0.00 -1.25 -4.90 121.76 118.17 2nef s ALA 60 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2nef s ALA 60 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2nef s ALA 60 CO 0.06 -3.74 0.00 0.00 0.00 0.00 0.00 175.76 172.08 2nef n GLN 61 N 9.06 0.00 -1.84 0.00 10.64 -1.26 -4.63 117.38 129.34 2nef n GLN 61 Ca 0.22 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.04 2nef n GLN 61 Cb 0.51 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.86 2nef n GLN 61 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2nef s GLU 62 N 0.01 2.35 0.00 2.61 2.56 -1.26 -4.94 118.70 120.03 2nef s GLU 62 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 54.97 55.76 2nef s GLU 62 Cb 0.00 -4.55 0.00 0.00 2.00 0.00 0.00 34.13 31.58 2nef s GLU 62 CO 0.00 -3.12 0.00 0.39 -0.56 0.00 0.00 175.26 171.97 2nef n GLU 63 N 9.07 1.90 0.00 4.30 1.02 -1.26 -5.02 120.64 130.65 2nef n GLU 63 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2nef n GLU 63 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2nef n GLU 63 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nef n GLU 64 N 0.00 0.00 0.00 3.49 4.07 -1.26 -4.79 120.64 122.15 2nef n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2nef n GLU 64 Cb 0.00 -0.38 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 2nef n GLU 64 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nef n GLU 65 N -0.70 0.91 -0.27 5.31 1.02 -1.26 -2.70 120.64 122.96 2nef n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2nef n GLU 65 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2nef n VAL 66 N 0.31 0.00 0.00 2.62 0.31 -1.26 -5.11 118.33 115.19 2nef n VAL 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2nef n VAL 66 Cb 0.35 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.00 2.42 3.93 2.92 0.00 -1.10 -4.44 105.19 108.92 2nef n GLY 67 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 3.28 0.87 1.61 0.40 -1.26 -4.78 117.98 118.10 2nef s PHE 68 Ca 0.00 0.51 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 2nef s PHE 68 Cb 0.00 -2.53 0.05 0.00 0.51 0.00 0.00 43.02 41.05 2nef s PHE 68 CO 0.00 -0.59 -0.14 -2.30 0.70 0.00 0.00 175.22 172.89 2nef n PRO 69 N -2.36 -1.15 -0.01 0.24 -0.02 -1.26 -5.00 135.00 125.45 2nef n PRO 69 Ca 0.03 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2nef n PRO 69 Cb 0.57 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2nef n PRO 69 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nef n VAL 70 N -3.84 0.00 -3.02 -1.45 0.31 -1.26 -5.01 118.33 104.06 2nef n VAL 70 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.95 2nef n VAL 70 Cb 0.35 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 2nef n VAL 70 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2nef s THR 71 N 0.23 4.90 0.00 2.52 -1.32 -1.26 -4.98 115.64 115.72 2nef s THR 71 Ca 0.00 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.01 2nef s THR 71 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 2nef s THR 71 CO 0.00 0.31 0.00 -2.65 -2.21 0.00 0.00 174.62 170.07 2nef n PRO 72 N 3.28 1.72 -1.51 7.08 -0.02 -1.26 -4.41 135.00 139.88 2nef n PRO 72 Ca -0.02 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.09 2nef n PRO 72 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.85 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nef n GLN 73 N -0.21 0.16 -2.16 -0.52 1.13 -1.26 -4.68 117.38 109.84 2nef n GLN 73 Ca 0.00 -0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.76 2nef n GLN 73 Cb 0.00 -1.77 0.15 0.00 0.11 0.00 0.00 30.24 28.73 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2nef s VAL 74 N 8.49 2.06 -0.35 5.09 -7.23 -1.26 -4.89 120.40 122.31 2nef s VAL 74 Ca 1.29 -0.21 -0.42 0.00 -1.81 0.00 0.00 61.98 60.84 2nef s VAL 74 Cb -1.03 -2.86 -0.17 0.00 0.56 0.00 0.00 36.38 32.89 2nef s VAL 74 CO 0.46 0.00 1.75 -2.65 -0.31 0.00 0.00 175.10 174.34 2nef n PRO 75 N -3.39 0.83 -1.61 4.82 -0.02 -1.26 -4.74 135.00 129.64 2nef n PRO 75 Ca 0.14 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2nef n PRO 75 Cb 0.60 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 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 3.68 3.32 0.44 2.45 1.43 -1.26 -4.94 118.68 123.80 2nef s LEU 76 Ca 1.01 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.80 2nef s LEU 76 Cb -1.18 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 2nef s LEU 76 CO 0.69 -2.98 0.91 -0.13 0.23 0.00 0.00 176.35 175.07 2nef s ARG 77 N 8.24 4.02 -0.10 1.70 0.52 -1.26 -4.99 118.95 127.08 2nef s ARG 77 Ca 0.94 0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 56.75 2nef s ARG 77 Cb -0.16 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 2nef s ARG 77 CO 0.23 -0.10 1.42 -1.25 0.02 0.00 0.00 175.30 175.62 2nef s PRO 78 N -3.59 4.22 0.66 3.54 0.04 -1.26 -4.83 135.00 133.78 2nef s PRO 78 Ca 0.58 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 63.35 2nef s PRO 78 Cb -0.10 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2nef s PRO 78 CO 0.23 -0.74 1.19 1.41 0.04 0.00 0.00 177.00 179.14 2nef s MET 79 N 3.55 2.61 0.05 4.56 1.75 -1.26 -5.03 119.30 125.52 2nef s MET 79 Ca 0.63 1.73 0.04 0.00 -1.25 0.00 0.00 55.69 56.84 2nef s MET 79 Cb -0.27 -1.89 -0.02 0.00 2.84 0.00 0.00 34.83 35.48 2nef s MET 79 CO 0.22 -1.47 -0.13 0.95 -0.65 0.00 0.00 175.02 173.94 2nef s THR 80 N -1.87 0.97 0.24 10.11 -4.23 -1.26 -4.95 115.64 114.65 2nef s THR 80 Ca 0.75 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.08 2nef s THR 80 Cb -0.28 -0.93 0.21 0.00 1.34 0.00 0.00 72.50 72.83 2nef s THR 80 CO 0.39 -0.17 1.71 0.10 -0.54 0.00 0.00 174.62 176.12 2nef h TYR 81 N 4.61 0.40 -0.06 3.99 -0.00 -1.96 2.59 116.97 126.53 2nef h TYR 81 Ca -0.38 0.04 -0.01 0.00 0.00 0.00 0.00 58.73 58.38 2nef h TYR 81 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 37.85 2nef h TYR 81 CO 0.59 0.01 0.01 -0.22 -0.00 0.00 0.00 178.16 178.56 2nef h LYS 82 N 0.37 0.08 -0.65 0.10 3.64 -1.94 -0.93 116.57 117.24 2nef h LYS 82 Ca 0.40 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2nef h LYS 82 Cb 0.62 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2nef h LYS 82 CO -0.43 0.08 0.21 0.00 -2.27 0.00 0.00 179.45 177.05 2nef h ALA 83 N 1.93 0.85 -0.00 5.00 0.00 0.41 0.37 119.26 127.81 2nef h ALA 83 Ca 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 83 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nef h ALA 83 CO -0.00 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2nef h ALA 84 N 1.08 0.01 -0.58 0.00 0.00 0.14 0.30 119.26 120.20 2nef h ALA 84 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nef h ALA 84 Cb 0.28 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2nef h ALA 84 CO -0.01 -0.40 0.25 0.28 0.00 0.00 0.00 179.25 179.37 2nef h VAL 85 N -0.17 1.22 -0.04 0.00 2.07 -1.20 0.81 116.25 118.94 2nef h VAL 85 Ca 0.00 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2nef h VAL 85 Cb 0.18 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2nef h VAL 85 CO -0.00 0.26 0.02 0.44 0.02 0.00 0.00 177.57 178.32 2nef h ASP 86 N 0.80 0.05 -0.79 0.57 5.19 -0.09 -2.05 116.42 120.10 2nef h ASP 86 Ca 0.20 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2nef h ASP 86 Cb 0.17 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 2nef h ASP 86 CO -0.02 0.09 0.37 0.25 -3.12 0.00 0.00 179.24 176.81 2nef h LEU 87 N 0.01 1.04 -0.63 1.55 5.85 -0.04 -1.36 115.31 121.73 2nef h LEU 87 Ca 0.01 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.71 2nef h LEU 87 Cb 0.05 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 2nef h LEU 87 CO -0.00 0.89 0.18 0.77 -0.34 0.00 0.00 178.44 179.93 2nef h SER 88 N 1.12 0.10 0.50 1.25 4.64 0.12 -0.42 113.55 120.85 2nef h SER 88 Ca 0.27 0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.54 2nef h SER 88 Cb 0.13 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2nef h SER 88 CO -0.03 0.05 -0.68 0.45 -0.87 0.00 0.00 176.83 175.75 2nef h HIS 89 N 0.32 0.22 0.54 4.77 3.86 -0.99 -2.67 115.15 121.20 2nef h HIS 89 Ca 0.33 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 2nef h HIS 89 Cb 0.48 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2nef h HIS 89 CO -0.22 0.79 -0.44 0.35 0.86 0.00 0.00 177.93 179.27 2nef h PHE 90 N 0.11 -1.20 0.00 2.45 3.04 0.04 -1.07 116.94 120.31 2nef h PHE 90 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2nef h PHE 90 Cb 1.22 0.45 -0.00 0.00 2.56 0.00 0.00 35.95 40.18 2nef h PHE 90 CO 0.02 -0.63 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.57 2nef h LEU 91 N -0.97 0.00 -2.56 0.59 3.38 -1.45 -1.43 115.31 112.88 2nef h LEU 91 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2nef h LEU 91 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2nef h LEU 91 CO -0.01 0.05 -0.01 0.50 0.09 0.00 0.00 178.44 179.06 2nef h LYS 92 N 0.00 0.00 0.00 1.13 3.64 -0.83 -3.08 116.57 117.43 2nef h LYS 92 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2nef h LYS 92 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2nef h LYS 92 CO 0.01 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.58 2nef n GLU 93 N -3.14 0.00 0.00 1.90 1.02 -0.54 -4.82 120.64 115.07 2nef n GLU 93 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2nef n GLU 93 Cb 0.14 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 2nef n GLU 93 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2nef n LYS 94 N -0.37 0.00 -1.51 3.49 2.85 -1.25 -4.70 118.16 116.67 2nef n LYS 94 Ca 0.00 0.10 -0.33 0.00 -1.05 0.00 0.00 58.31 57.03 2nef n LYS 94 Cb 0.00 -0.55 -0.15 0.00 -0.65 0.00 0.00 35.03 33.67 2nef n LYS 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2nef n GLY 95 N 2.37 -0.39 3.26 2.58 0.00 -1.16 -4.77 105.19 107.08 2nef n GLY 95 Ca 0.00 0.70 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 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 6.17 3.40 0.16 -0.02 0.00 -1.26 -4.21 105.19 109.44 2nef n GLY 96 Ca 0.62 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 11.06 0.00 -9.68 0.99 5.85 -1.86 -3.43 115.31 118.24 2nef h LEU 97 Ca 0.46 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.61 2nef h LEU 97 Cb 0.78 0.00 0.16 0.00 0.37 0.00 0.00 40.66 41.97 2nef h LEU 97 CO 1.57 0.40 -0.04 1.21 -0.34 0.00 0.00 178.44 181.24 2nef n GLU 98 N -3.22 0.86 -0.32 1.25 2.13 -1.26 -1.04 120.64 119.04 2nef n GLU 98 Ca 0.02 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2nef n GLU 98 Cb 0.68 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 1.43 0.00 3.67 8.31 0.00 0.26 -4.89 105.19 113.97 2nef n GLY 99 Ca 0.12 0.00 -0.43 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 4.23 -0.36 0.99 2.96 -0.21 -4.71 118.68 121.59 2nef s LEU 100 Ca 0.00 1.83 -0.27 0.00 -0.22 0.00 0.00 54.13 55.47 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 -0.75 2.21 -0.63 -1.32 0.00 0.00 176.35 175.86 2nef s ILE 101 N 3.26 3.09 -0.43 6.68 -1.09 -1.26 -2.12 121.20 129.32 2nef s ILE 101 Ca 0.58 0.08 -0.28 0.00 -2.23 0.00 0.00 60.65 58.81 2nef s ILE 101 Cb -0.25 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2nef s ILE 101 CO 0.19 -0.12 1.85 -2.28 -1.23 0.00 0.00 174.94 173.35 2nef s HIS 102 N 9.61 1.72 0.00 3.97 5.65 0.93 -4.88 115.29 132.29 2nef s HIS 102 Ca 0.95 0.73 0.00 0.00 0.25 0.00 0.00 55.06 56.99 2nef s HIS 102 Cb -0.25 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 27.07 2nef s HIS 102 CO 0.31 -2.70 0.30 -1.13 -0.65 0.00 0.00 174.74 170.86 2nef n SER 103 N 11.40 0.00 0.00 9.88 3.41 -1.26 -3.46 113.62 133.59 2nef n SER 103 Ca 0.23 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2nef n SER 103 Cb 0.49 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2nef n GLN 104 N -0.77 0.00 0.08 4.33 7.27 -1.26 -4.82 117.38 122.20 2nef n GLN 104 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 2nef n GLN 104 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2nef n GLN 104 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2nef h ARG 105 N 0.00 0.00 -0.39 3.69 2.43 -2.01 -3.28 114.38 114.82 2nef h ARG 105 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2nef h ARG 105 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2nef h ARG 105 CO 0.00 0.50 0.30 0.00 -1.51 0.00 0.00 179.97 179.27 2nef h ARG 106 N 0.00 0.00 -0.77 0.20 3.08 -1.96 0.51 114.38 115.44 2nef h ARG 106 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2nef h ARG 106 Cb 1.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 2nef h ARG 106 CO 0.07 0.00 0.30 0.37 -1.07 0.00 0.00 179.97 179.64 2nef h GLN 107 N 0.00 1.15 -0.13 0.04 4.15 -1.96 -2.71 115.11 115.64 2nef h GLN 107 Ca 0.19 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2nef h GLN 107 Cb 0.79 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2nef h GLN 107 CO -0.00 0.93 0.04 -0.44 -1.93 0.00 0.00 178.83 177.43 2nef h ASP 108 N 1.12 0.04 -0.66 -0.69 3.32 -1.09 -2.32 116.42 116.14 2nef h ASP 108 Ca 0.26 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.46 2nef h ASP 108 Cb 0.22 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.66 2nef h ASP 108 CO -0.02 0.04 -0.06 0.40 -1.72 0.00 0.00 179.24 177.89 2nef h ILE 109 N 0.10 0.41 0.11 0.35 1.08 -1.42 0.56 117.51 118.70 2nef h ILE 109 Ca 0.06 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2nef h ILE 109 Cb 0.04 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2nef h ILE 109 CO -0.06 0.01 -0.10 0.25 -0.69 0.00 0.00 178.15 177.56 2nef h LEU 110 N 0.07 -0.28 -1.46 1.44 5.85 -1.28 0.12 115.31 119.77 2nef h LEU 110 Ca 0.34 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.32 2nef h LEU 110 Cb 0.55 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 2nef h LEU 110 CO -0.61 -0.14 0.65 0.44 -0.34 0.00 0.00 178.44 178.44 2nef h ASP 111 N -0.21 0.41 0.69 1.25 3.32 -1.04 -1.54 116.42 119.30 2nef h ASP 111 Ca -0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2nef h ASP 111 Cb 0.18 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2nef h ASP 111 CO -0.01 0.12 -0.33 0.25 -1.72 0.00 0.00 179.24 177.55 2nef h LEU 112 N 0.39 -0.78 -0.68 1.55 6.46 0.74 -0.98 115.31 122.01 2nef h LEU 112 Ca 0.54 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.43 2nef h LEU 112 Cb 1.38 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 41.41 2nef h LEU 112 CO -0.23 -0.42 0.17 -0.25 -0.62 0.00 0.00 178.44 177.09 2nef h TRP 113 N -1.18 0.27 -0.08 1.25 7.01 -0.07 0.97 115.95 124.13 2nef h TRP 113 Ca -0.09 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.97 2nef h TRP 113 Cb 0.73 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 2nef h TRP 113 CO 0.00 -0.04 0.06 0.82 -2.79 0.00 0.00 178.44 176.49 2nef h ILE 114 N 0.29 0.89 0.05 2.65 2.04 -1.22 -2.85 117.51 119.36 2nef h ILE 114 Ca 0.37 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 2nef h ILE 114 Cb 0.59 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2nef h ILE 114 CO -0.45 0.00 -0.02 0.22 0.00 0.00 0.00 178.15 177.90 2nef h TYR 115 N 0.00 -0.06 0.00 1.37 3.20 0.24 -3.17 116.97 118.55 2nef h TYR 115 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2nef h TYR 115 Cb 0.15 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2nef h TYR 115 CO 0.00 -0.04 0.00 -2.39 -1.64 0.00 0.00 178.16 174.09 2nef n HIS 116 N -2.26 0.00 0.00 -3.82 1.44 -0.91 -2.31 115.22 107.35 2nef n HIS 116 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2nef n HIS 116 Cb 0.03 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nef n THR 117 N -0.37 0.00 1.61 0.61 -2.24 -1.08 -4.14 114.28 108.67 2nef n THR 117 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2nef n THR 117 Cb 0.01 -0.12 0.82 0.00 -2.10 0.00 0.00 70.33 68.94 2nef n THR 117 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2nef n GLN 118 N 0.00 0.61 -2.05 -0.78 0.00 -1.24 -4.56 117.38 109.35 2nef n GLN 118 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.97 2nef n GLN 118 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.74 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 1.19 0.26 3.71 1.69 0.00 -0.98 -4.51 105.19 106.56 2nef n GLY 119 Ca 0.17 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.13 3.36 0.22 1.61 2.02 -1.25 -4.65 117.35 116.52 2nef s TYR 120 Ca 0.00 1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.63 2nef s TYR 120 Cb -0.00 -3.47 -0.08 0.00 -0.40 0.00 0.00 41.96 38.01 2nef s TYR 120 CO 0.00 -1.48 1.02 0.12 -1.57 0.00 0.00 175.55 173.64 2nef s PHE 121 N 1.24 3.76 -0.89 2.71 5.36 -1.26 -4.59 117.98 124.31 2nef s PHE 121 Ca 0.59 1.77 -0.25 0.00 -0.96 0.00 0.00 56.93 58.09 2nef s PHE 121 Cb -0.30 -3.14 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 2nef s PHE 121 CO 0.29 -0.10 1.65 -1.25 -1.46 0.00 0.00 175.22 174.34 2nef s PRO 122 N -0.87 3.06 0.00 10.12 0.04 -1.26 -4.44 135.00 141.65 2nef s PRO 122 Ca 0.45 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2nef s PRO 122 Cb -0.28 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2nef s PRO 122 CO 0.35 -2.67 0.53 -0.40 0.04 0.00 0.00 177.00 174.85 2nef n ASP 123 N 11.19 0.00 -0.00 6.66 5.68 -1.26 -4.85 116.55 133.97 2nef n ASP 123 Ca 0.30 -1.25 0.02 0.00 -0.50 0.00 0.00 54.79 53.36 2nef n ASP 123 Cb 0.49 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.00 0.00 -2.56 2.11 4.27 -1.26 -4.97 117.44 115.04 2nef n TRP 124 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.55 -0.14 -0.02 0.00 -1.36 0.00 0.00 31.31 30.34 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 -2.36 4.34 0.03 -2.67 -2.07 -1.26 -4.67 119.66 111.00 2nef s GLN 125 Ca -0.02 1.53 -0.26 0.00 -1.82 0.00 0.00 55.36 54.79 2nef s GLN 125 Cb 0.03 -3.60 0.06 0.00 -1.09 0.00 0.00 33.01 28.42 2nef s GLN 125 CO 0.23 -0.47 0.61 -0.80 -1.32 0.00 0.00 175.29 173.54 2nef s ASN 126 N 1.39 -0.57 0.23 12.60 0.01 -1.26 -5.03 114.94 122.31 2nef s ASN 126 Ca 0.51 0.37 -0.22 0.00 -0.71 0.00 0.00 52.86 52.81 2nef s ASN 126 Cb -0.21 0.54 0.04 0.00 0.41 0.00 0.00 41.25 42.03 2nef s ASN 126 CO 0.17 -0.73 0.79 -0.31 -1.51 0.00 0.00 177.10 175.51 2nef s TYR 127 N -2.21 -0.19 0.00 2.20 1.51 -1.26 -2.53 117.35 114.88 2nef s TYR 127 Ca -0.06 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2nef s TYR 127 Cb -0.01 0.68 0.00 0.00 -0.11 0.00 0.00 41.96 42.52 2nef s TYR 127 CO 0.01 -1.08 0.00 0.25 -1.11 0.00 0.00 175.55 173.62 2nef n THR 128 N -0.46 0.00 0.00 -0.71 -2.24 -1.17 -4.81 114.28 104.90 2nef n THR 128 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2nef n THR 128 Cb 0.60 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2nef n THR 128 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2nef n PRO 129 N -1.85 0.00 0.00 -0.78 -0.02 -1.26 -5.00 135.00 126.09 2nef n PRO 129 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2nef n PRO 129 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 0.00 -0.02 3.20 -1.23 0.00 -1.26 -5.08 105.19 100.79 2nef n GLY 130 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.71 0.04 -0.81 1.61 -0.02 -1.26 -4.71 135.00 128.14 2nef n PRO 131 Ca 0.00 0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2nef n PRO 131 Cb 0.00 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 132 N 2.70 -1.62 2.38 -1.23 0.00 -1.26 -4.85 105.19 101.32 2nef n GLY 132 Ca 0.05 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.82 0.00 -3.18 -0.61 5.41 -1.26 -4.94 119.36 111.96 2nef n ILE 133 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.80 2nef n ILE 133 Cb 0.37 -0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 38.81 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2nef s ARG 134 N -3.44 0.39 0.25 0.38 6.06 -1.09 -4.90 118.95 116.59 2nef s ARG 134 Ca 0.32 0.71 -0.03 0.00 -2.50 0.00 0.00 55.73 54.24 2nef s ARG 134 Cb -0.06 0.40 -0.05 0.00 0.06 0.00 0.00 34.95 35.31 2nef s ARG 134 CO 0.27 -0.39 0.48 0.71 -2.50 0.00 0.00 175.30 173.87 2nef s TYR 135 N 2.88 3.48 -0.20 5.12 1.51 -1.26 -2.51 117.35 126.36 2nef s TYR 135 Ca 0.09 0.51 -0.28 0.00 -1.01 0.00 0.00 57.07 56.37 2nef s TYR 135 Cb -0.12 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2nef s TYR 135 CO -0.16 0.27 0.99 -1.25 -1.11 0.00 0.00 175.55 174.29 2nef s PRO 136 N -3.44 4.29 0.07 -1.71 0.04 -1.26 -3.02 135.00 129.97 2nef s PRO 136 Ca 0.41 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 2nef s PRO 136 Cb -0.11 -3.61 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 2nef s PRO 136 CO 0.29 -0.52 1.58 -0.07 0.04 0.00 0.00 177.00 178.32 2nef h LEU 137 N 9.00 0.16-10.19 -3.56 3.38 -1.81 -3.44 115.31 108.86 2nef h LEU 137 Ca -0.23 -0.20 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 2nef h LEU 137 Cb 1.09 -0.04 0.15 0.00 0.09 0.00 0.00 40.66 41.94 2nef h LEU 137 CO 0.93 0.32 0.37 0.42 0.09 0.00 0.00 178.44 180.57 2nef s THR 138 N -5.40 2.53 0.26 0.22 -4.23 -1.26 -4.81 115.64 102.95 2nef s THR 138 Ca -0.14 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2nef s THR 138 Cb 0.06 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 2nef s THR 138 CO 0.69 -0.15 0.41 0.12 -0.54 0.00 0.00 174.62 175.16 2nef s PHE 139 N -2.14 3.47 0.00 3.99 5.36 -1.26 -4.45 117.98 122.95 2nef s PHE 139 Ca 0.72 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2nef s PHE 139 Cb -0.26 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2nef s PHE 139 CO 0.46 0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.97 2nef n GLY 140 N -1.37 2.93 3.55 13.12 0.00 -1.26 -4.75 105.19 117.42 2nef n GLY 140 Ca -0.07 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.94 2.21 -0.01 1.61 -0.00 -1.26 -2.80 118.94 117.75 2nef s TRP 141 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.10 56.01 2nef s TRP 141 Cb 0.00 -4.51 -0.05 0.00 -0.00 0.00 0.00 33.47 28.91 2nef s TRP 141 CO 0.00 -2.04 2.34 0.00 -0.00 0.00 0.00 176.95 177.24 2nef s TYR 143 N 0.17 3.21 -0.20 0.00 2.02 -1.26 -1.25 117.35 120.04 2nef s TYR 143 Ca 0.14 -2.03 -0.01 0.00 -0.37 0.00 0.00 57.07 54.80 2nef s TYR 143 Cb 0.07 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2nef s TYR 143 CO -0.00 -0.83 -0.12 -1.59 -1.57 0.00 0.00 175.55 171.44 2nef s LYS 144 N 1.19 3.16 0.26 -0.62 -2.85 -1.14 -4.46 119.74 115.29 2nef s LYS 144 Ca -0.06 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 2nef s LYS 144 Cb -0.19 -2.80 -0.09 0.00 -2.06 0.00 0.00 37.83 32.69 2nef s LYS 144 CO -0.04 -0.21 1.06 -0.51 0.10 0.00 0.00 175.35 175.74 2nef s LEU 145 N 1.38 4.57 -0.20 2.77 1.43 -1.04 -2.28 118.68 125.31 2nef s LEU 145 Ca 0.05 2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 55.16 2nef s LEU 145 Cb -0.14 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.52 2nef s LEU 145 CO -0.08 -0.07 0.51 -0.69 0.23 0.00 0.00 176.35 176.25 2nef s VAL 146 N -1.04 -0.01 -1.12 -1.59 1.01 -1.12 -2.68 120.40 113.85 2nef s VAL 146 Ca 0.44 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 2nef s VAL 146 Cb -0.30 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.39 2nef s VAL 146 CO 0.38 0.01 1.66 -2.16 0.00 0.00 0.00 175.10 174.99 2nef s PRO 147 N 0.77 3.49 -0.09 2.72 0.04 -1.26 -3.12 135.00 137.55 2nef s PRO 147 Ca -0.04 -1.33 0.05 0.00 0.04 0.00 0.00 61.00 59.71 2nef s PRO 147 Cb -0.05 -5.38 0.29 0.00 0.04 0.00 0.00 34.50 29.40 2nef s PRO 147 CO -0.06 -2.56 0.98 0.28 0.04 0.00 0.00 177.00 175.68 2nef n VAL 148 N 6.93 1.05 -2.09 -0.36 0.31 -1.26 -4.90 118.33 118.01 2nef n VAL 148 Ca 0.41 -0.51 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 2nef n VAL 148 Cb 0.48 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 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 -1.59 4.30 0.00 5.55 2.02 -1.26 -4.88 118.70 122.84 2nef s GLU 149 Ca 0.19 2.18 0.06 0.00 0.02 0.00 0.00 54.97 57.43 2nef s GLU 149 Cb 0.15 -3.18 0.34 0.00 0.10 0.00 0.00 34.13 31.54 2nef s GLU 149 CO 0.06 -0.43 1.09 -0.35 0.02 0.00 0.00 175.26 175.64 2nef n PRO 150 N 3.32 0.85 -1.63 0.39 -0.04 -1.26 -4.76 135.00 131.87 2nef n PRO 150 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 2nef n PRO 150 Cb 0.41 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nef s GLU 151 N -2.00 1.76 0.00 0.54 8.01 -1.26 -4.69 118.70 121.06 2nef s GLU 151 Ca 0.09 0.46 0.19 0.00 0.01 0.00 0.00 54.97 55.72 2nef s GLU 151 Cb 0.04 -4.80 0.99 0.00 -4.31 0.00 0.00 34.13 26.05 2nef s GLU 151 CO 0.07 -4.22 1.66 1.63 0.01 0.00 0.00 175.26 174.40 2nef n LYS 152 N 8.84 1.19 -2.92 1.61 5.02 -1.26 -4.83 118.16 125.82 2nef n LYS 152 Ca 0.45 -0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 2nef n LYS 152 Cb 0.45 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nef s LEU 153 N -1.57 4.38 0.01 -0.35 2.01 -1.26 -4.88 118.68 117.02 2nef s LEU 153 Ca 0.28 1.67 0.00 0.00 0.01 0.00 0.00 54.13 56.09 2nef s LEU 153 Cb 0.14 -3.77 0.00 0.00 0.01 0.00 0.00 46.19 42.57 2nef s LEU 153 CO 0.22 0.00 0.00 -0.62 1.01 0.00 0.00 176.35 176.97 2nef n GLU 154 N 0.75 0.00 -2.32 1.70 1.02 -1.26 -5.03 120.64 115.50 2nef n GLU 154 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 2nef n GLU 154 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.88 2nef n GLU 154 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 155 N -1.03 3.10 0.15 3.49 2.56 -1.26 -4.87 118.70 120.83 2nef s GLU 155 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 54.97 54.03 2nef s GLU 155 Cb 0.00 -5.19 0.06 0.00 2.00 0.00 0.00 34.13 31.01 2nef s GLU 155 CO 0.00 -2.75 0.79 0.00 -0.56 0.00 0.00 175.26 172.74 2nef s ALA 156 N 7.38 -1.58 0.02 6.30 0.00 -1.26 -5.05 121.76 127.58 2nef s ALA 156 Ca 0.57 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2nef s ALA 156 Cb -0.03 0.71 -0.27 0.00 0.00 0.00 0.00 23.12 23.53 2nef s ALA 156 CO -0.05 -0.88 0.93 -0.97 0.00 0.00 0.00 175.76 174.79 2nef h ASN 157 N 2.00 0.32 0.00 0.00 -1.24 -2.06 -3.33 115.58 111.28 2nef h ASN 157 Ca -0.25 -0.43 -0.06 0.00 0.71 0.00 0.00 56.30 56.27 2nef h ASN 157 Cb 1.26 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.18 2nef h ASN 157 CO 0.30 1.35 -0.09 0.29 -1.29 0.00 0.00 177.43 177.99 2nef n LYS 158 N -3.42 1.14 -3.77 6.67 5.02 -1.26 -4.75 118.16 117.78 2nef n LYS 158 Ca -0.13 -0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 55.72 2nef n LYS 158 Cb 1.03 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 34.56 2nef n LYS 158 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nef s ASP 174 N 2.06 -0.18 0.24 4.39 1.11 -1.25 -5.07 116.67 117.97 2nef s ASP 174 Ca 0.21 0.10 0.00 0.00 0.18 0.00 0.00 52.55 53.04 2nef s ASP 174 Cb 0.10 0.33 0.00 0.00 1.07 0.00 0.00 42.92 44.42 2nef s ASP 174 CO 0.00 -0.41 0.00 0.47 1.18 0.00 0.00 175.17 176.41 2nef n ASP 175 N 1.45 -1.87 -4.52 0.27 8.00 -1.26 -4.97 116.55 113.65 2nef n ASP 175 Ca -0.21 0.45 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 2nef n ASP 175 Cb 0.56 1.94 -0.10 0.00 -0.02 0.00 0.00 41.12 43.50 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 -3.02 0.25 0.00 -0.24 -0.04 -1.26 -4.65 135.00 126.04 2nef n PRO 176 Ca 0.00 -1.16 0.10 0.00 -0.04 0.00 0.00 63.50 62.41 2nef n PRO 176 Cb 0.00 -3.46 0.61 0.00 -0.04 0.00 0.00 33.50 30.61 2nef n PRO 176 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nef n GLU 177 N 7.95 0.75 -2.52 0.54 2.13 -1.26 -4.47 120.64 123.76 2nef n GLU 177 Ca 0.42 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.83 2nef n GLU 177 Cb 0.44 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2nef s ARG 178 N -2.00 3.62 0.48 5.31 3.52 -1.26 -4.97 118.95 123.65 2nef s ARG 178 Ca 0.31 -1.36 -0.21 0.00 -0.13 0.00 0.00 55.73 54.34 2nef s ARG 178 Cb 0.14 -5.40 -0.08 0.00 -1.56 0.00 0.00 34.95 28.05 2nef s ARG 178 CO 0.24 -2.36 1.06 -1.21 -0.81 0.00 0.00 175.30 172.22 2nef s GLU 179 N 4.91 3.75 0.54 5.12 2.02 -1.26 -5.03 118.70 128.75 2nef s GLU 179 Ca 0.51 1.45 -0.07 0.00 0.02 0.00 0.00 54.97 56.88 2nef s GLU 179 Cb 0.01 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 2nef s GLU 179 CO -0.03 -0.49 0.88 0.08 0.02 0.00 0.00 175.26 175.73 2nef s VAL 180 N -1.87 4.70 0.14 2.63 1.01 -1.26 -5.03 120.40 120.71 2nef s VAL 180 Ca 0.67 0.39 0.09 0.00 0.00 0.00 0.00 61.98 63.13 2nef s VAL 180 Cb -0.19 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2nef s VAL 180 CO 0.23 -0.90 -0.18 -0.76 0.00 0.00 0.00 175.10 173.49 2nef s LEU 181 N -4.91 2.67 0.07 3.92 1.43 -1.22 -4.59 118.68 116.05 2nef s LEU 181 Ca 0.50 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 2nef s LEU 181 Cb -0.11 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2nef s LEU 181 CO 0.48 0.16 -0.19 -1.83 0.23 0.00 0.00 176.35 175.20 2nef s GLU 182 N -2.31 1.91 -0.39 1.70 -1.05 -1.18 0.31 118.70 117.70 2nef s GLU 182 Ca 0.19 -1.08 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 2nef s GLU 182 Cb -0.10 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 2nef s GLU 182 CO 0.10 0.51 1.54 -1.58 0.95 0.00 0.00 175.26 176.78 2nef s TRP 183 N -1.01 2.21 -0.59 4.83 0.51 -0.90 -2.79 118.94 121.19 2nef s TRP 183 Ca 0.16 0.65 -0.18 0.00 -2.12 0.00 0.00 56.10 54.61 2nef s TRP 183 Cb -0.10 -4.26 0.11 0.00 -0.81 0.00 0.00 33.47 28.41 2nef s TRP 183 CO 0.07 -2.30 0.67 0.50 -0.51 0.00 0.00 176.95 175.38 2nef s ARG 184 N 5.17 3.05 0.17 4.98 3.52 -0.96 0.91 118.95 135.80 2nef s ARG 184 Ca 0.67 -1.45 -0.31 0.00 -0.13 0.00 0.00 55.73 54.51 2nef s ARG 184 Cb -0.16 -4.29 -0.09 0.00 -1.56 0.00 0.00 34.95 28.84 2nef s ARG 184 CO 0.33 -1.49 1.46 0.12 -0.81 0.00 0.00 175.30 174.91 2nef s PHE 185 N 2.37 3.12 -0.48 5.12 2.19 -1.26 -2.88 117.98 126.16 2nef s PHE 185 Ca 0.10 0.87 0.06 0.00 0.33 0.00 0.00 56.93 58.29 2nef s PHE 185 Cb -0.25 -3.80 0.20 0.00 -1.31 0.00 0.00 43.02 37.86 2nef s PHE 185 CO 0.05 -2.81 0.65 -3.47 1.83 0.00 0.00 175.22 171.46 2nef n ASP 186 N 3.45 -2.31 0.00 6.13 2.03 -0.38 -4.96 116.55 120.49 2nef n ASP 186 Ca 0.11 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2nef n ASP 186 Cb 0.40 1.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 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 -0.36 1.67 2.88 -1.26 -1.35 113.62 117.73 2nef n SER 187 Ca 0.19 0.16 -0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2nef n SER 187 Cb 0.55 -0.16 0.15 0.00 -0.75 0.00 0.00 64.21 64.00 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2nef h ARG 188 N 0.00 1.23 0.00 -1.46 2.43 -1.93 0.35 114.38 115.00 2nef h ARG 188 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2nef h ARG 188 Cb 0.34 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2nef h ARG 188 CO 0.00 0.82 0.00 1.28 -1.51 0.00 0.00 179.97 180.56 2nef n LEU 189 N -4.42 0.00 0.00 3.80 4.77 -0.46 -1.99 117.00 118.71 2nef n LEU 189 Ca 0.13 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 2nef n LEU 189 Cb 0.07 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.57 2nef n LEU 189 CO 0.35 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.18 2nef n ALA 190 N -0.76 1.89 0.00 -1.18 0.00 0.12 -3.97 120.51 116.61 2nef n ALA 190 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2nef n ALA 190 Cb 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.36 0.00 -1.57 0.00 1.16 -0.84 -4.94 117.46 109.91 2nef n PHE 191 Ca 0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.34 2nef n PHE 191 Cb 0.16 0.17 0.05 0.00 -1.61 0.00 0.00 39.48 38.25 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2nef s HIS 192 N -1.38 3.08 -0.40 2.97 2.46 -1.16 -5.04 115.29 115.81 2nef s HIS 192 Ca 0.00 1.43 0.06 0.00 0.47 0.00 0.00 55.06 57.02 2nef s HIS 192 Cb 0.00 -2.90 0.17 0.00 -0.13 0.00 0.00 32.58 29.72 2nef s HIS 192 CO 0.00 -1.26 0.51 -3.38 -2.47 0.00 0.00 174.74 168.13 2nef s HIS 193 N -3.01 -0.97 0.01 3.88 -3.43 -1.26 -4.60 115.29 105.91 2nef s HIS 193 Ca 0.58 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 54.32 2nef s HIS 193 Cb -0.14 -0.06 -0.35 0.00 -1.43 0.00 0.00 32.58 30.60 2nef s HIS 193 CO 0.54 -1.07 0.93 0.52 -2.00 0.00 0.00 174.74 173.66 2nef h MET 194 N 6.90 0.51 -1.07 -0.38 2.86 -1.96 -3.30 114.93 118.49 2nef h MET 194 Ca 0.06 -0.87 0.28 0.00 -2.06 0.00 0.00 59.70 57.11 2nef h MET 194 Cb 1.11 0.33 -0.09 0.00 0.06 0.00 0.00 31.60 33.01 2nef h MET 194 CO 0.15 1.42 0.70 0.00 1.06 0.00 0.00 176.91 180.23 2nef h ALA 195 N 0.14 2.37 -0.18 6.32 0.00 -1.94 0.23 119.26 126.20 2nef h ALA 195 Ca -0.27 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2nef h ALA 195 Cb 2.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2nef h ALA 195 CO 0.26 -0.78 -0.48 -0.09 0.00 0.00 0.00 179.25 178.16 2nef h ARG 196 N 0.32 0.64 0.00 0.00 2.43 -1.87 -2.75 114.38 113.15 2nef h ARG 196 Ca 0.60 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2nef h ARG 196 Cb 1.66 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.27 2nef h ARG 196 CO -0.27 1.07 -0.24 1.49 -1.51 0.00 0.00 179.97 180.52 2nef h GLU 197 N 0.32 0.00 0.02 0.20 4.81 -0.76 -1.60 114.58 117.57 2nef h GLU 197 Ca -0.01 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 2nef h GLU 197 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2nef h GLU 197 CO 0.10 0.24 -0.97 -0.07 -0.73 0.00 0.00 179.01 177.57 2nef h LEU 198 N 0.00 0.50 -5.59 1.64 3.38 -0.72 -3.41 115.31 111.11 2nef h LEU 198 Ca -0.00 -0.42 -0.38 0.00 0.09 0.00 0.00 57.88 57.17 2nef h LEU 198 Cb 0.69 -0.16 -0.27 0.00 0.09 0.00 0.00 40.66 41.01 2nef h LEU 198 CO 0.03 1.23 -0.76 1.41 0.09 0.00 0.00 178.44 180.44 2nef n HIS 199 N -3.72 -2.19 0.03 1.13 8.25 -1.05 -4.97 115.22 112.71 2nef n HIS 199 Ca -0.07 -2.46 -0.05 0.00 -0.26 0.00 0.00 57.72 54.89 2nef n HIS 199 Cb 0.86 0.77 -0.10 0.00 1.12 0.00 0.00 29.99 32.64 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 4.73 0.00 -0.17 -0.41 0.13 -1.53 -3.34 132.00 131.41 2nef h PRO 200 Ca 0.07 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2nef h PRO 200 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2nef h PRO 200 CO 0.28 0.59 0.66 1.49 -0.23 0.00 0.00 178.00 180.79 2nef h GLU 201 N 0.00 0.00 0.01 0.86 4.81 -1.93 0.38 114.58 118.71 2nef h GLU 201 Ca -0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2nef h GLU 201 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 2nef h GLU 201 CO 0.08 0.00 -0.01 1.88 -0.73 0.00 0.00 179.01 180.24 2nef h TYR 202 N 0.00 -0.01 -3.60 0.92 -1.99 -1.97 -3.43 116.97 106.89 2nef h TYR 202 Ca 0.08 -0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.18 2nef h TYR 202 Cb 1.40 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 40.00 2nef h TYR 202 CO 0.00 0.62 -0.02 -0.06 -0.00 0.00 0.00 178.16 178.70 2nef s PHE 203 N -2.12 3.20 0.66 4.88 0.40 0.12 -5.04 117.98 120.08 2nef s PHE 203 Ca -0.12 0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 56.35 2nef s PHE 203 Cb -0.02 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 2nef s PHE 203 CO 0.45 -0.49 0.81 1.63 0.70 0.00 0.00 175.22 178.32 2nef n LYS 204 N 5.74 0.60 -3.04 0.44 4.76 -1.26 -4.85 118.16 120.55 2nef n LYS 204 Ca -0.04 0.25 -0.44 0.00 -2.87 0.00 0.00 58.31 55.21 2nef n LYS 204 Cb 0.49 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2nef n LYS 204 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2nef n ASN 205 N -0.76 5.54 -0.11 4.39 4.13 -1.26 -5.11 115.26 122.08 2nef n ASN 205 Ca 0.13 -3.10 0.16 0.00 1.68 0.00 0.00 54.58 53.44 2nef n ASN 205 Cb 0.49 -1.43 0.85 0.00 -1.54 0.00 0.00 39.78 38.14 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54