#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 1.79 0.00 -0.00 -1.26 -4.54 117.44 113.43 2nef n TRP 57 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.51 2nef n TRP 57 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 2nef n TRP 57 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2nef n LEU 58 N 0.00 0.32 -4.56 5.87 4.32 -1.26 -4.68 117.00 117.01 2nef n LEU 58 Ca 0.00 -0.16 -0.38 0.00 -0.02 0.00 0.00 56.01 55.45 2nef n LEU 58 Cb 0.00 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 2nef n LEU 58 CO 0.00 0.08 1.44 -1.61 -1.22 0.00 0.00 177.39 176.08 2nef s GLU 59 N -1.89 3.34 0.00 3.23 2.02 -1.26 -4.80 118.70 119.34 2nef s GLU 59 Ca 0.03 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2nef s GLU 59 Cb 0.02 -5.24 0.00 0.00 0.10 0.00 0.00 34.13 29.00 2nef s GLU 59 CO 0.02 -2.46 0.57 0.00 0.02 0.00 0.00 175.26 173.41 2nef n ALA 60 N 10.04 2.10 -0.12 5.21 0.00 -1.26 -4.23 120.51 132.25 2nef n ALA 60 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2nef n ALA 60 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2nef n ALA 60 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2nef n GLN 61 N 0.57 0.92 -0.41 0.00 -0.06 -1.26 -4.71 117.38 112.42 2nef n GLN 61 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2nef n GLN 61 Cb 0.29 -1.04 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2nef n GLU 62 N 1.29 1.23 0.05 3.69 1.02 -1.26 -4.97 120.64 121.70 2nef n GLU 62 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2nef n GLU 62 Cb 0.46 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.20 2nef n GLU 62 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2nef h GLU 63 N 0.00 0.39 -6.21 3.49 5.08 -1.99 -3.41 114.58 111.93 2nef h GLU 63 Ca 0.00 -0.09 -0.56 0.00 -1.00 0.00 0.00 59.36 57.71 2nef h GLU 63 Cb 0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2nef h GLU 63 CO 0.00 0.49 0.06 -1.83 -1.00 0.00 0.00 179.01 176.74 2nef s GLU 64 N -4.80 4.39 0.68 2.33 -1.05 -1.26 -5.07 118.70 113.91 2nef s GLU 64 Ca -0.07 0.89 0.02 0.00 -0.15 0.00 0.00 54.97 55.66 2nef s GLU 64 Cb 0.15 -3.33 0.13 0.00 -0.44 0.00 0.00 34.13 30.64 2nef s GLU 64 CO 0.75 0.38 0.94 0.39 0.95 0.00 0.00 175.26 178.66 2nef n GLU 65 N 2.58 0.08 -1.00 -4.83 1.02 -1.26 -4.78 120.64 112.45 2nef n GLU 65 Ca -0.05 -2.78 -0.13 0.00 -0.02 0.00 0.00 57.16 54.18 2nef n GLU 65 Cb 0.50 -0.55 -0.16 0.00 -0.02 0.00 0.00 31.44 31.21 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 -2.69 3.01 0.00 2.62 0.31 -1.26 -4.88 118.33 115.45 2nef n VAL 66 Ca 0.16 -1.52 0.00 0.00 -0.01 0.00 0.00 64.34 62.97 2nef n VAL 66 Cb 0.58 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 2.53 0.98 3.96 2.92 0.00 -1.26 -4.64 105.19 109.68 2nef n GLY 67 Ca 0.44 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.55 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 1.33 0.80 1.61 0.08 -1.26 -5.06 117.98 115.47 2nef s PHE 68 Ca 0.00 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 2nef s PHE 68 Cb 0.00 -3.72 0.20 0.00 -0.57 0.00 0.00 43.02 38.94 2nef s PHE 68 CO 0.00 -2.41 0.46 -2.30 -0.10 0.00 0.00 175.22 170.87 2nef n PRO 69 N -3.45 -3.43 -2.79 0.24 -0.02 -1.26 -4.89 135.00 119.39 2nef n PRO 69 Ca 0.17 -0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 60.45 2nef n PRO 69 Cb 0.60 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 33.01 2nef n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nef s VAL 70 N -1.59 4.77 0.05 -1.45 0.11 -1.26 -4.95 120.40 116.09 2nef s VAL 70 Ca 0.36 1.77 0.05 0.00 -2.93 0.00 0.00 61.98 61.23 2nef s VAL 70 Cb -0.06 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 2nef s VAL 70 CO 0.30 -0.12 -0.15 0.42 -3.33 0.00 0.00 175.10 172.22 2nef s THR 71 N 2.97 1.22 0.00 5.04 -4.23 -1.26 -5.15 115.64 114.22 2nef s THR 71 Ca 0.39 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2nef s THR 71 Cb -0.15 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2nef s THR 71 CO 0.07 -0.03 0.00 -0.81 -0.54 0.00 0.00 174.62 173.31 2nef n PRO 72 N 1.71 -0.35 0.00 3.99 -0.04 -1.26 -4.89 135.00 134.16 2nef n PRO 72 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2nef n PRO 72 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.95 2.14 -1.69 0.54 1.13 -1.26 -4.93 117.38 112.35 2nef n GLN 73 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 2nef n GLN 73 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.41 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 0.92 2.77 0.81 5.09 -7.23 -1.26 -4.95 120.40 116.55 2nef s VAL 74 Ca 0.00 0.39 -0.19 0.00 -1.81 0.00 0.00 61.98 60.37 2nef s VAL 74 Cb 0.00 -2.96 -0.14 0.00 0.56 0.00 0.00 36.38 33.84 2nef s VAL 74 CO 0.00 -0.19 -1.00 -2.65 -0.31 0.00 0.00 175.10 170.95 2nef n PRO 75 N -2.36 0.00 -1.72 4.82 -0.02 -1.26 -4.39 135.00 130.07 2nef n PRO 75 Ca 0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 2nef n PRO 75 Cb 0.51 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 33.15 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 6.49 3.37 0.50 2.45 1.43 -1.26 -4.62 118.68 127.04 2nef s LEU 76 Ca 0.31 0.87 -0.18 0.00 -1.03 0.00 0.00 54.13 54.10 2nef s LEU 76 Cb -0.01 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.56 2nef s LEU 76 CO 0.60 -2.67 0.98 -0.13 0.23 0.00 0.00 176.35 175.36 2nef s ARG 77 N 7.76 3.99 0.02 1.70 0.52 -1.14 -4.99 118.95 126.81 2nef s ARG 77 Ca 0.87 1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 56.79 2nef s ARG 77 Cb -0.16 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 2nef s ARG 77 CO 0.25 -0.24 1.55 -1.25 0.02 0.00 0.00 175.30 175.63 2nef s PRO 78 N -3.87 4.23 -0.42 3.54 0.04 -1.26 -4.50 135.00 132.76 2nef s PRO 78 Ca 0.60 2.16 -0.27 0.00 0.04 0.00 0.00 61.00 63.53 2nef s PRO 78 Cb -0.10 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 2nef s PRO 78 CO 0.27 -0.68 2.07 1.41 0.04 0.00 0.00 177.00 180.11 2nef s MET 79 N 2.73 2.79 0.02 4.56 1.75 -1.26 -4.94 119.30 124.94 2nef s MET 79 Ca 0.70 1.36 -0.21 0.00 -1.25 0.00 0.00 55.69 56.29 2nef s MET 79 Cb -0.35 -4.39 -0.06 0.00 2.84 0.00 0.00 34.83 32.87 2nef s MET 79 CO 0.29 -2.51 0.60 0.95 -0.65 0.00 0.00 175.02 173.71 2nef s THR 80 N 9.17 4.85 0.29 10.11 -4.23 -1.26 -4.93 115.64 129.64 2nef s THR 80 Ca 0.86 1.27 0.04 0.00 -1.18 0.00 0.00 61.69 62.68 2nef s THR 80 Cb -0.21 -3.94 0.28 0.00 1.34 0.00 0.00 72.50 69.98 2nef s THR 80 CO 0.29 0.45 1.77 0.22 -0.54 0.00 0.00 174.62 176.80 2nef h TYR 81 N 5.37 0.97 -0.51 3.99 3.20 -1.92 1.95 116.97 130.02 2nef h TYR 81 Ca -0.46 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 2nef h TYR 81 Cb 1.20 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2nef h TYR 81 CO 0.66 0.21 0.25 -0.22 -1.64 0.00 0.00 178.16 177.42 2nef h LYS 82 N 0.71 0.71 -0.26 1.82 3.64 -1.92 -1.58 116.57 119.69 2nef h LYS 82 Ca 0.54 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.77 2nef h LYS 82 Cb 0.83 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2nef h LYS 82 CO -0.38 0.55 -0.16 0.00 -2.27 0.00 0.00 179.45 177.19 2nef h ALA 83 N 1.56 1.24 0.03 5.00 0.00 0.27 -0.87 119.26 126.49 2nef h ALA 83 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2nef h ALA 83 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2nef h ALA 83 CO -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 2nef h ALA 84 N 1.42 -0.05 -0.18 0.00 0.00 -0.15 0.65 119.26 120.95 2nef h ALA 84 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2nef h ALA 84 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2nef h ALA 84 CO 0.03 -0.50 0.03 0.28 0.00 0.00 0.00 179.25 179.09 2nef h VAL 85 N -0.09 1.22 -0.50 0.00 2.07 -1.31 0.45 116.25 118.10 2nef h VAL 85 Ca -0.00 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2nef h VAL 85 Cb 0.08 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2nef h VAL 85 CO 0.01 0.22 0.32 0.44 0.02 0.00 0.00 177.57 178.58 2nef h ASP 86 N 0.09 0.54 -0.69 0.57 3.32 -1.01 -1.70 116.42 117.55 2nef h ASP 86 Ca 0.06 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2nef h ASP 86 Cb 0.31 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2nef h ASP 86 CO 0.00 0.39 0.31 0.25 -1.72 0.00 0.00 179.24 178.47 2nef h LEU 87 N 0.65 0.92 -0.32 1.55 5.85 0.56 0.20 115.31 124.71 2nef h LEU 87 Ca 0.19 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2nef h LEU 87 Cb -0.05 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 2nef h LEU 87 CO -0.06 0.81 -0.14 0.77 -0.34 0.00 0.00 178.44 179.49 2nef h SER 88 N 0.96 -0.47 0.43 1.25 4.64 0.79 -0.57 113.55 120.57 2nef h SER 88 Ca 0.23 0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.51 2nef h SER 88 Cb 0.16 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2nef h SER 88 CO -0.03 -0.17 -0.68 0.45 -0.87 0.00 0.00 176.83 175.53 2nef h HIS 89 N -0.08 0.30 -0.04 4.77 3.86 -1.14 -3.02 115.15 119.80 2nef h HIS 89 Ca 0.16 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2nef h HIS 89 Cb 0.33 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2nef h HIS 89 CO -0.35 0.83 -0.13 0.35 0.86 0.00 0.00 177.93 179.49 2nef h PHE 90 N 0.16 -0.34 -0.05 2.45 3.57 0.70 -0.69 116.94 122.73 2nef h PHE 90 Ca -0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2nef h PHE 90 Cb 1.22 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2nef h PHE 90 CO 0.02 -0.20 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.76 2nef h LEU 91 N -0.21 0.07 -1.92 0.59 3.38 -1.17 -1.43 115.31 114.62 2nef h LEU 91 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2nef h LEU 91 Cb 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2nef h LEU 91 CO -0.16 0.15 0.00 0.50 0.09 0.00 0.00 178.44 179.02 2nef h LYS 92 N 0.07 0.00 0.00 1.13 3.64 -1.00 -3.15 116.57 117.26 2nef h LYS 92 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2nef h LYS 92 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2nef h LYS 92 CO 0.01 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.58 2nef n GLU 93 N -2.98 0.00 0.00 1.90 4.71 -0.54 -4.77 120.64 118.96 2nef n GLU 93 Ca -0.01 0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 2nef n GLU 93 Cb 0.21 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 2nef n GLU 93 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2nef n LYS 94 N -0.86 0.00 -0.80 3.49 2.85 -1.25 -4.90 118.16 116.70 2nef n LYS 94 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 2nef n LYS 94 Cb 0.00 -0.29 0.12 0.00 -0.65 0.00 0.00 35.03 34.21 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 2.51 -2.25 2.78 2.58 0.00 -1.19 -4.97 105.19 104.66 2nef n GLY 95 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2nef n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nef s GLY 96 N -1.93 2.15 0.18 -0.02 0.00 -1.26 -4.18 107.32 102.27 2nef s GLY 96 Ca 0.55 -3.09 0.11 0.00 0.00 0.00 0.00 44.72 42.30 2nef s GLY 96 CO 0.68 1.36 1.29 -2.00 0.00 0.00 0.00 173.10 174.43 2nef h LEU 97 N 6.17 0.00 -9.73 0.66 5.85 -1.94 -3.42 115.31 112.91 2nef h LEU 97 Ca 0.05 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.21 2nef h LEU 97 Cb 0.87 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.08 2nef h LEU 97 CO 0.58 0.75 -0.20 1.21 -0.34 0.00 0.00 178.44 180.45 2nef n GLU 98 N -3.25 0.47 -0.29 1.25 0.00 -1.26 -1.14 120.64 116.42 2nef n GLU 98 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2nef n GLU 98 Cb 0.85 -1.96 0.00 0.00 0.00 0.00 0.00 31.44 30.33 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 1.48 0.00 3.60 8.31 0.00 -0.19 -4.83 105.19 113.56 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 3.57 -0.26 0.99 2.96 -0.29 -4.81 118.68 120.84 2nef s LEU 100 Ca 0.00 0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 2nef s LEU 100 Cb 0.00 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2nef s LEU 100 CO 0.00 -1.38 2.26 -0.38 -1.32 0.00 0.00 176.35 175.53 2nef n ILE 101 N 6.90 0.27 -2.00 6.68 2.08 -1.26 -2.78 119.36 129.25 2nef n ILE 101 Ca 0.13 -0.52 -0.40 0.00 0.56 0.00 0.00 62.75 62.52 2nef n ILE 101 Cb 0.49 -2.61 -0.03 0.00 -0.75 0.00 0.00 39.64 36.74 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 9.01 1.68 0.00 1.39 5.65 0.92 -4.88 115.29 129.05 2nef s HIS 102 Ca 1.01 0.80 0.00 0.00 0.25 0.00 0.00 55.06 57.11 2nef s HIS 102 Cb -0.31 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.03 2nef s HIS 102 CO 0.34 -2.52 0.50 0.45 -0.65 0.00 0.00 174.74 172.86 2nef n SER 103 N 12.15 0.00 0.00 9.88 2.88 -1.26 -3.17 113.62 134.10 2nef n SER 103 Ca 0.22 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2nef n SER 103 Cb 0.51 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2nef n GLN 104 N -1.73 0.00 0.02 -1.46 7.27 -1.26 -4.79 117.38 115.43 2nef n GLN 104 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 2nef n GLN 104 Cb 0.00 0.00 0.28 0.00 2.41 0.00 0.00 30.24 32.93 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nef n ARG 105 N -2.23 0.10 -0.22 3.69 1.74 -1.26 -4.12 116.66 114.36 2nef n ARG 105 Ca 0.00 0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2nef n ARG 105 Cb 0.00 -1.57 0.10 0.00 -1.02 0.00 0.00 32.46 29.97 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nef h ARG 106 N 0.00 0.63 -0.61 5.56 2.47 -1.95 -2.18 114.38 118.31 2nef h ARG 106 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2nef h ARG 106 Cb 0.59 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 2nef h ARG 106 CO 0.00 0.42 0.37 0.37 0.56 0.00 0.00 179.97 181.69 2nef h GLN 107 N 0.65 0.82 -0.88 0.04 4.15 -1.98 -2.19 115.11 115.73 2nef h GLN 107 Ca 0.29 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.74 2nef h GLN 107 Cb 0.20 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 2nef h GLN 107 CO -0.19 0.58 0.52 -0.44 -1.93 0.00 0.00 178.83 177.38 2nef h ASP 108 N 0.82 0.76 -0.43 -0.69 3.32 -1.63 -1.12 116.42 117.44 2nef h ASP 108 Ca 0.22 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2nef h ASP 108 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2nef h ASP 108 CO -0.04 0.43 0.17 0.40 -1.72 0.00 0.00 179.24 178.47 2nef h ILE 109 N 0.86 1.21 0.00 0.35 2.04 -1.09 -2.09 117.51 118.78 2nef h ILE 109 Ca 0.42 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2nef h ILE 109 Cb 0.38 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2nef h ILE 109 CO -0.25 0.24 0.00 -0.11 0.00 0.00 0.00 178.15 178.03 2nef n LEU 110 N -4.60 0.00 -0.37 1.44 7.94 -0.46 0.29 117.00 121.25 2nef n LEU 110 Ca 0.00 0.96 0.28 0.00 -1.11 0.00 0.00 56.01 56.14 2nef n LEU 110 Cb 0.16 -0.46 0.55 0.00 0.53 0.00 0.00 43.42 44.20 2nef n LEU 110 CO 0.37 -0.46 1.20 0.44 -1.11 0.00 0.00 177.39 177.84 2nef h ASP 111 N 0.00 0.40 0.70 1.96 3.32 -1.49 0.19 116.42 121.48 2nef h ASP 111 Ca 0.00 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2nef h ASP 111 Cb 0.00 0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.64 2nef h ASP 111 CO 0.00 -0.06 -0.33 0.25 -1.72 0.00 0.00 179.24 177.38 2nef h LEU 112 N 0.28 -0.79 -0.75 1.55 6.46 -0.45 -1.08 115.31 120.53 2nef h LEU 112 Ca 0.71 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.60 2nef h LEU 112 Cb 1.90 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 41.95 2nef h LEU 112 CO -0.41 -0.43 0.32 -0.25 -0.62 0.00 0.00 178.44 177.04 2nef h TRP 113 N -1.18 0.54 -0.02 1.25 7.01 0.19 0.51 115.95 124.26 2nef h TRP 113 Ca -0.10 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.94 2nef h TRP 113 Cb 0.74 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.67 2nef h TRP 113 CO 0.00 0.10 0.02 0.82 -2.79 0.00 0.00 178.44 176.58 2nef h ILE 114 N 0.48 0.78 0.58 2.65 2.04 -0.57 -2.85 117.51 120.62 2nef h ILE 114 Ca 0.40 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.23 2nef h ILE 114 Cb 0.58 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2nef h ILE 114 CO -0.38 0.00 -0.28 0.22 0.00 0.00 0.00 178.15 177.71 2nef h TYR 115 N 0.00 -0.73 0.00 1.37 3.20 0.14 -3.05 116.97 117.90 2nef h TYR 115 Ca 0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2nef h TYR 115 Cb 0.04 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2nef h TYR 115 CO 0.00 -0.45 0.00 0.72 -1.64 0.00 0.00 178.16 176.79 2nef n HIS 116 N -5.10 0.00 0.00 -3.82 8.25 -1.06 -2.59 115.22 110.90 2nef n HIS 116 Ca -0.10 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2nef n HIS 116 Cb 0.31 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.95 0.00 0.79 1.59 -2.24 -1.15 -4.67 114.28 109.54 2nef n THR 117 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.18 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.14 -1.30 -0.78 3.00 -1.24 -4.30 117.38 112.90 2nef n GLN 118 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2nef n GLN 118 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 28.63 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 1.41 0.77 3.77 1.08 0.00 -1.07 -4.13 105.19 107.02 2nef n GLY 119 Ca 0.05 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -2.00 3.31 0.23 1.61 2.02 -1.25 -2.91 117.35 118.36 2nef s TYR 120 Ca 0.00 1.63 -0.08 0.00 -0.37 0.00 0.00 57.07 58.25 2nef s TYR 120 Cb 0.00 -3.27 -0.06 0.00 -0.40 0.00 0.00 41.96 38.22 2nef s TYR 120 CO 0.00 -0.84 0.52 -0.59 -1.57 0.00 0.00 175.55 173.08 2nef s PHE 121 N -1.40 3.45 -0.85 2.71 -0.12 -1.26 -4.53 117.98 115.98 2nef s PHE 121 Ca 0.53 0.77 -0.25 0.00 -0.05 0.00 0.00 56.93 57.92 2nef s PHE 121 Cb -0.28 -2.18 0.04 0.00 -0.63 0.00 0.00 43.02 39.97 2nef s PHE 121 CO 0.36 0.27 1.32 -1.25 -0.05 0.00 0.00 175.22 175.87 2nef s PRO 122 N -2.97 3.35 0.00 1.99 0.04 -1.26 -4.53 135.00 131.61 2nef s PRO 122 Ca 0.46 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2nef s PRO 122 Cb -0.11 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2nef s PRO 122 CO 0.24 -2.14 0.56 -0.40 0.04 0.00 0.00 177.00 175.29 2nef n ASP 123 N 9.03 -0.10 0.00 6.66 5.75 -1.26 -4.90 116.55 131.74 2nef n ASP 123 Ca 0.14 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2nef n ASP 123 Cb 0.50 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.00 0.00 -2.33 2.11 4.27 -1.26 -4.97 117.44 115.26 2nef n TRP 124 Ca -0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 2nef n TRP 124 Cb 0.52 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.45 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -1.70 3.28 0.10 -2.67 -2.07 -1.26 -4.53 119.66 110.82 2nef s GLN 125 Ca 0.00 0.59 -0.09 0.00 -1.82 0.00 0.00 55.36 54.04 2nef s GLN 125 Cb 0.00 -4.14 -0.00 0.00 -1.09 0.00 0.00 33.01 27.78 2nef s GLN 125 CO 0.00 -1.95 0.21 -0.80 -1.32 0.00 0.00 175.29 171.43 2nef s ASN 126 N 4.77 0.09 0.05 12.60 0.01 -1.26 -5.08 114.94 126.12 2nef s ASN 126 Ca 0.56 -0.67 -0.27 0.00 -0.71 0.00 0.00 52.86 51.78 2nef s ASN 126 Cb -0.12 0.36 0.08 0.00 0.41 0.00 0.00 41.25 41.98 2nef s ASN 126 CO 0.26 -0.76 0.70 -0.31 -1.51 0.00 0.00 177.10 175.48 2nef s TYR 127 N -3.87 -0.53 0.70 2.20 1.51 -1.26 -2.99 117.35 113.11 2nef s TYR 127 Ca 0.07 0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 56.53 2nef s TYR 127 Cb 0.04 0.51 0.02 0.00 -0.11 0.00 0.00 41.96 42.43 2nef s TYR 127 CO -0.09 -0.70 1.15 0.95 -1.11 0.00 0.00 175.55 175.74 2nef s THR 128 N -2.76 2.83 0.76 -0.71 -4.23 -0.79 -4.87 115.64 105.87 2nef s THR 128 Ca -0.02 0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 2nef s THR 128 Cb -0.01 -2.89 -0.12 0.00 1.34 0.00 0.00 72.50 70.82 2nef s THR 128 CO -0.05 -0.24 -0.72 -2.65 -0.54 0.00 0.00 174.62 170.41 2nef n PRO 129 N -2.68 0.00 0.08 3.99 -0.02 -1.26 -4.71 135.00 130.41 2nef n PRO 129 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 2nef n PRO 129 Cb 0.51 -0.76 -0.09 0.00 -0.02 0.00 0.00 33.50 33.15 2nef n PRO 129 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2nef h GLY 130 N -0.76 -1.17 -3.67 -1.23 0.00 -1.98 -3.44 103.07 90.82 2nef h GLY 130 Ca -0.33 0.64 -0.60 0.00 0.00 0.00 0.00 47.33 47.05 2nef h GLY 130 CO 0.17 -0.29 -0.59 -1.05 0.00 0.00 0.00 176.54 174.79 2nef n PRO 131 N -5.07 0.40 -1.17 4.80 -0.02 -1.26 -4.55 135.00 128.12 2nef n PRO 131 Ca -0.07 0.15 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2nef n PRO 131 Cb 0.35 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.97 -3.71 3.63 -1.23 0.00 -1.26 -4.68 105.19 99.90 2nef n GLY 132 Ca 0.11 -0.98 -0.58 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.46 0.07 -2.33 -0.61 2.08 -1.26 -4.78 119.36 110.07 2nef n ILE 133 Ca -0.01 -0.01 -0.38 0.00 0.56 0.00 0.00 62.75 62.91 2nef n ILE 133 Cb 0.38 -0.63 -0.03 0.00 -0.75 0.00 0.00 39.64 38.60 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2nef s ARG 134 N 1.56 3.02 0.30 0.38 0.52 -1.04 -4.89 118.95 118.80 2nef s ARG 134 Ca 0.93 -0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.68 2nef s ARG 134 Cb -1.17 -4.65 -0.09 0.00 0.52 0.00 0.00 34.95 29.55 2nef s ARG 134 CO 0.61 -2.53 0.89 0.71 0.02 0.00 0.00 175.30 175.00 2nef s TYR 135 N 7.20 3.69 -0.10 -0.53 2.02 -1.26 -2.61 117.35 125.76 2nef s TYR 135 Ca 0.52 1.69 -0.30 0.00 -0.37 0.00 0.00 57.07 58.61 2nef s TYR 135 Cb -0.07 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2nef s TYR 135 CO 0.08 0.25 1.17 -1.25 -1.57 0.00 0.00 175.55 174.23 2nef s PRO 136 N -2.02 4.33 0.11 -1.71 0.04 -1.26 -1.89 135.00 132.60 2nef s PRO 136 Ca 0.48 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 2nef s PRO 136 Cb -0.18 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.68 2nef s PRO 136 CO 0.23 -0.49 1.70 -0.07 0.04 0.00 0.00 177.00 178.41 2nef h LEU 137 N 8.58 0.28-10.15 -3.56 3.38 -1.87 -3.43 115.31 108.54 2nef h LEU 137 Ca -0.31 -0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.03 2nef h LEU 137 Cb 1.14 -0.07 0.14 0.00 0.09 0.00 0.00 40.66 41.95 2nef h LEU 137 CO 0.90 0.29 0.42 0.42 0.09 0.00 0.00 178.44 180.57 2nef s THR 138 N -5.82 2.52 0.14 0.22 -4.23 -1.26 -4.95 115.64 102.25 2nef s THR 138 Ca -0.13 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 2nef s THR 138 Cb 0.08 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2nef s THR 138 CO 0.70 -0.11 0.26 0.12 -0.54 0.00 0.00 174.62 175.05 2nef s PHE 139 N -1.87 3.47 0.00 3.99 5.36 -1.26 -4.40 117.98 123.28 2nef s PHE 139 Ca 0.75 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2nef s PHE 139 Cb -0.29 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 2nef s PHE 139 CO 0.40 0.53 0.00 0.41 -1.46 0.00 0.00 175.22 175.10 2nef n GLY 140 N -0.40 2.79 3.55 13.12 0.00 -1.26 -4.88 105.19 118.12 2nef n GLY 140 Ca -0.07 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -1.89 2.06 -0.03 1.61 -0.00 -1.26 -3.77 118.94 115.66 2nef s TRP 141 Ca 0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 56.10 56.25 2nef s TRP 141 Cb 0.00 -4.38 -0.03 0.00 -0.00 0.00 0.00 33.47 29.05 2nef s TRP 141 CO 0.00 -2.06 2.32 0.00 -0.00 0.00 0.00 176.95 177.21 2nef s TYR 143 N 0.03 2.74 -0.17 0.00 2.02 -1.26 -0.77 117.35 119.94 2nef s TYR 143 Ca 0.16 -2.85 -0.10 0.00 -0.37 0.00 0.00 57.07 53.90 2nef s TYR 143 Cb 0.08 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 2nef s TYR 143 CO -0.00 -0.77 0.16 -1.59 -1.57 0.00 0.00 175.55 171.77 2nef s LYS 144 N 0.07 4.02 0.67 -0.62 -2.85 -1.08 -4.74 119.74 115.20 2nef s LYS 144 Ca 0.17 -0.15 -0.11 0.00 -1.00 0.00 0.00 55.97 54.88 2nef s LYS 144 Cb -0.25 -3.36 -0.01 0.00 -2.06 0.00 0.00 37.83 32.15 2nef s LYS 144 CO -0.01 0.41 1.06 -0.51 0.10 0.00 0.00 175.35 176.40 2nef s LEU 145 N 0.03 3.07 -0.19 2.77 1.43 -1.07 -0.62 118.68 124.09 2nef s LEU 145 Ca 0.11 1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 2nef s LEU 145 Cb -0.12 -4.23 0.06 0.00 0.03 0.00 0.00 46.19 41.93 2nef s LEU 145 CO 0.00 -1.13 0.49 -0.69 0.23 0.00 0.00 176.35 175.26 2nef s VAL 146 N -3.25 -0.01 -0.08 -1.59 1.01 -1.01 -2.49 120.40 112.98 2nef s VAL 146 Ca 0.57 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 2nef s VAL 146 Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2nef s VAL 146 CO 0.53 0.01 0.83 -2.16 0.00 0.00 0.00 175.10 174.31 2nef s PRO 147 N 0.76 4.43 -1.29 2.72 0.04 -1.26 -2.98 135.00 137.42 2nef s PRO 147 Ca -0.04 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2nef s PRO 147 Cb -0.05 -3.49 0.12 0.00 0.04 0.00 0.00 34.50 31.12 2nef s PRO 147 CO -0.06 -0.10 1.71 0.28 0.04 0.00 0.00 177.00 178.88 2nef n VAL 148 N 4.13 4.06 -2.08 -0.36 0.31 -1.26 -4.98 118.33 118.15 2nef n VAL 148 Ca 0.03 -4.24 -0.42 0.00 -0.01 0.00 0.00 64.34 59.70 2nef n VAL 148 Cb 0.50 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 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 2.48 4.29 -0.58 5.55 2.02 -1.26 -4.95 118.70 126.25 2nef s GLU 149 Ca 0.47 2.19 -0.27 0.00 0.02 0.00 0.00 54.97 57.37 2nef s GLU 149 Cb 0.04 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 31.10 2nef s GLU 149 CO 0.02 -0.47 1.14 -1.25 0.02 0.00 0.00 175.26 174.72 2nef s PRO 150 N 0.86 3.46 0.65 0.39 0.04 -1.26 -4.87 135.00 134.26 2nef s PRO 150 Ca 0.65 0.11 0.41 0.00 0.04 0.00 0.00 61.00 62.21 2nef s PRO 150 Cb -0.40 -4.03 2.27 0.00 0.04 0.00 0.00 34.50 32.38 2nef s PRO 150 CO 0.33 -1.67 2.34 0.93 0.04 0.00 0.00 177.00 178.97 2nef h GLU 151 N 9.52 0.00 -2.47 4.56 5.08 -2.03 -3.06 114.58 126.18 2nef h GLU 151 Ca -0.25 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.65 2nef h GLU 151 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2nef h GLU 151 CO 1.17 0.00 1.66 0.36 -1.00 0.00 0.00 179.01 181.21 2nef n LYS 152 N -3.29 2.94 -1.97 2.33 2.85 -1.26 -4.92 118.16 114.84 2nef n LYS 152 Ca -0.03 -1.78 -0.29 0.00 -1.05 0.00 0.00 58.31 55.15 2nef n LYS 152 Cb 0.08 -2.39 0.04 0.00 -0.65 0.00 0.00 35.03 32.11 2nef n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2nef s LEU 153 N -0.24 2.95 0.13 -5.58 2.96 -1.16 -4.98 118.68 112.75 2nef s LEU 153 Ca 0.67 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 2nef s LEU 153 Cb 0.26 -3.85 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 153 CO -0.05 -1.31 0.00 -0.62 -1.32 0.00 0.00 176.35 173.06 2nef n GLU 154 N -2.94 0.00 0.00 1.98 1.02 -1.26 -5.06 120.64 114.38 2nef n GLU 154 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2nef n GLU 154 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 2nef n GLU 154 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nef n GLU 155 N -2.79 0.00 -2.75 3.49 0.00 -1.26 -5.05 120.64 112.29 2nef n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 2nef n GLU 155 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nef n ALA 156 N -0.61 -1.78 -0.84 4.31 0.00 -1.26 -5.06 120.51 115.26 2nef n ALA 156 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2nef n ALA 156 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2nef n ALA 156 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nef n ASN 157 N 2.24 0.00 -2.95 0.00 0.23 -1.26 -5.00 115.26 108.52 2nef n ASN 157 Ca 0.13 0.06 0.01 0.00 -0.53 0.00 0.00 54.58 54.24 2nef n ASN 157 Cb 0.60 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2nef n ASN 157 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2nef s LYS 158 N -0.16 0.53 -0.10 -3.83 2.20 -1.26 -5.14 119.74 111.99 2nef s LYS 158 Ca 0.00 -0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 55.21 2nef s LYS 158 Cb 0.00 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 2nef s LYS 158 CO 0.00 -0.75 0.39 0.16 -0.36 0.00 0.00 175.35 174.79 2nef s ASP 174 N 1.75 6.64 0.89 1.43 -4.77 -1.26 -5.08 116.67 116.27 2nef s ASP 174 Ca 0.17 0.76 -0.12 0.00 -3.30 0.00 0.00 52.55 50.06 2nef s ASP 174 Cb 0.00 -2.24 0.17 0.00 -1.09 0.00 0.00 42.92 39.77 2nef s ASP 174 CO -0.10 0.14 1.23 -1.81 0.70 0.00 0.00 175.17 175.32 2nef s ASP 175 N 0.04 3.54 0.00 2.11 1.01 -1.26 -5.08 116.67 117.03 2nef s ASP 175 Ca 0.22 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.66 2nef s ASP 175 Cb -0.15 -0.35 0.00 0.00 1.01 0.00 0.00 42.92 43.44 2nef s ASP 175 CO 0.09 -2.45 0.00 -2.65 0.21 0.00 0.00 175.17 170.37 2nef n PRO 176 N -3.50 2.75 0.05 8.23 -0.02 -1.26 -4.81 135.00 136.43 2nef n PRO 176 Ca 0.14 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 2nef n PRO 176 Cb 0.60 0.00 0.49 0.00 -0.02 0.00 0.00 33.50 34.57 2nef n PRO 176 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nef n GLU 177 N 0.00 0.12 -2.58 -0.52 4.07 -1.26 -4.58 120.64 115.90 2nef n GLU 177 Ca 0.00 0.09 -0.41 0.00 -0.06 0.00 0.00 57.16 56.78 2nef n GLU 177 Cb 0.00 -1.64 -0.03 0.00 -0.06 0.00 0.00 31.44 29.71 2nef n GLU 177 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2nef s ARG 178 N -3.05 3.33 0.37 5.31 0.52 -1.26 -4.99 118.95 119.19 2nef s ARG 178 Ca 0.12 -0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 2nef s ARG 178 Cb 0.16 -4.60 -0.09 0.00 0.52 0.00 0.00 34.95 30.94 2nef s ARG 178 CO 0.57 -2.15 1.08 -2.00 0.02 0.00 0.00 175.30 172.83 2nef s GLU 179 N 5.34 4.24 -0.43 3.54 2.56 -1.26 -4.92 118.70 127.77 2nef s GLU 179 Ca 0.38 1.64 -0.22 0.00 0.00 0.00 0.00 54.97 56.77 2nef s GLU 179 Cb -0.06 -2.71 0.02 0.00 2.00 0.00 0.00 34.13 33.39 2nef s GLU 179 CO 0.06 -0.10 0.75 0.08 -0.56 0.00 0.00 175.26 175.48 2nef s VAL 180 N -1.50 4.71 0.16 3.70 1.01 -1.26 -4.96 120.40 122.26 2nef s VAL 180 Ca 0.55 0.43 0.10 0.00 0.00 0.00 0.00 61.98 63.05 2nef s VAL 180 Cb -0.26 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2nef s VAL 180 CO 0.33 -0.63 -0.19 -0.76 0.00 0.00 0.00 175.10 173.84 2nef s LEU 181 N 3.13 2.63 0.07 3.92 1.43 -1.19 -4.26 118.68 124.42 2nef s LEU 181 Ca 0.28 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2nef s LEU 181 Cb -0.13 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2nef s LEU 181 CO 0.21 0.14 -0.22 -1.83 0.23 0.00 0.00 176.35 174.88 2nef s GLU 182 N -2.48 1.83 -0.33 1.70 -1.05 -1.16 0.31 118.70 117.52 2nef s GLU 182 Ca 0.20 -1.12 -0.29 0.00 -0.15 0.00 0.00 54.97 53.61 2nef s GLU 182 Cb -0.09 -2.07 0.01 0.00 -0.44 0.00 0.00 34.13 31.54 2nef s GLU 182 CO 0.11 0.50 1.18 -1.58 0.95 0.00 0.00 175.26 176.42 2nef s TRP 183 N -0.97 2.91 -0.51 4.83 0.51 -1.12 -2.41 118.94 122.18 2nef s TRP 183 Ca 0.15 1.00 -0.17 0.00 -2.12 0.00 0.00 56.10 54.96 2nef s TRP 183 Cb -0.10 -3.88 0.09 0.00 -0.81 0.00 0.00 33.47 28.77 2nef s TRP 183 CO 0.06 -1.23 0.50 0.50 -0.51 0.00 0.00 176.95 176.27 2nef s ARG 184 N 3.97 3.01 0.17 4.98 6.06 0.21 -1.02 118.95 136.33 2nef s ARG 184 Ca 0.50 -1.38 -0.31 0.00 -2.50 0.00 0.00 55.73 52.05 2nef s ARG 184 Cb -0.13 -4.19 -0.09 0.00 0.06 0.00 0.00 34.95 30.59 2nef s ARG 184 CO 0.21 -1.21 1.45 0.12 -2.50 0.00 0.00 175.30 173.37 2nef s PHE 185 N 1.92 3.14 -0.45 5.12 2.19 -1.26 -2.64 117.98 126.00 2nef s PHE 185 Ca 0.06 0.88 0.07 0.00 0.33 0.00 0.00 56.93 58.27 2nef s PHE 185 Cb -0.25 -3.79 0.24 0.00 -1.31 0.00 0.00 43.02 37.91 2nef s PHE 185 CO 0.06 -2.76 0.74 -3.47 1.83 0.00 0.00 175.22 171.63 2nef n ASP 186 N 3.49 -1.77 0.03 6.13 2.03 0.05 -4.96 116.55 121.55 2nef n ASP 186 Ca 0.11 -3.05 0.01 0.00 0.52 0.00 0.00 54.79 52.37 2nef n ASP 186 Cb 0.41 0.89 0.03 0.00 -0.72 0.00 0.00 41.12 41.73 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 1.63 0.03 0.07 1.67 3.41 -1.26 -0.58 113.62 118.60 2nef n SER 187 Ca 0.14 0.20 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 2nef n SER 187 Cb 0.59 -0.17 0.40 0.00 -0.26 0.00 0.00 64.21 64.76 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.36 0.00 4.33 3.08 -1.93 -0.25 114.38 119.98 2nef h ARG 188 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2nef h ARG 188 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2nef h ARG 188 CO 0.00 0.38 0.00 1.28 -1.07 0.00 0.00 179.97 180.56 2nef n LEU 189 N -4.35 0.00 0.00 3.04 4.77 0.25 -1.69 117.00 119.03 2nef n LEU 189 Ca 0.01 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.49 2nef n LEU 189 Cb 0.19 -0.41 0.56 0.00 -2.33 0.00 0.00 43.42 41.43 2nef n LEU 189 CO 0.37 -0.31 0.80 0.00 -1.33 0.00 0.00 177.39 176.92 2nef n ALA 190 N -1.41 2.16 -1.22 -1.18 0.00 -0.10 -2.78 120.51 115.98 2nef n ALA 190 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2nef n ALA 190 Cb 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.13 0.00 -3.58 0.00 3.72 -0.68 -4.94 117.46 110.85 2nef n PHE 191 Ca 0.13 -0.07 -0.05 0.00 -0.05 0.00 0.00 57.45 57.40 2nef n PHE 191 Cb 0.11 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.17 -1.04 -0.55 1.38 2.46 -1.12 -5.11 115.29 111.13 2nef s HIS 192 Ca 0.01 1.73 -0.17 0.00 0.47 0.00 0.00 55.06 57.10 2nef s HIS 192 Cb 0.01 0.46 0.12 0.00 -0.13 0.00 0.00 32.58 33.03 2nef s HIS 192 CO 0.00 -0.60 0.57 -3.38 -2.47 0.00 0.00 174.74 168.86 2nef s HIS 193 N 2.72 3.16 0.11 3.88 -3.43 -1.26 -4.59 115.29 115.87 2nef s HIS 193 Ca 0.00 -1.14 0.01 0.00 -0.80 0.00 0.00 55.06 53.14 2nef s HIS 193 Cb -0.13 -3.83 -0.21 0.00 -1.43 0.00 0.00 32.58 26.99 2nef s HIS 193 CO -0.16 -1.10 1.24 0.52 -2.00 0.00 0.00 174.74 173.24 2nef h MET 194 N 8.99 0.15 -0.95 -0.38 2.86 -1.95 -3.21 114.93 120.44 2nef h MET 194 Ca -0.30 -0.23 0.27 0.00 -2.06 0.00 0.00 59.70 57.39 2nef h MET 194 Cb 1.10 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 2nef h MET 194 CO 1.05 1.09 0.71 0.00 1.06 0.00 0.00 176.91 180.81 2nef h ALA 195 N 0.82 2.88 0.10 6.32 0.00 -1.90 0.31 119.26 127.79 2nef h ALA 195 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2nef h ALA 195 Cb 1.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2nef h ALA 195 CO 0.16 -1.20 -0.05 -0.09 0.00 0.00 0.00 179.25 178.08 2nef h ARG 196 N 0.00 -0.13 0.00 0.00 2.43 -1.88 -2.72 114.38 112.09 2nef h ARG 196 Ca 0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2nef h ARG 196 Cb 1.86 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 2nef h ARG 196 CO -0.00 0.38 0.00 1.49 -1.51 0.00 0.00 179.97 180.32 2nef h GLU 197 N -0.78 0.00 0.00 0.20 4.57 -1.28 -3.18 114.58 114.11 2nef h GLU 197 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2nef h GLU 197 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2nef h GLU 197 CO 0.02 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.13 2nef n LEU 198 N -2.68 0.33 -3.33 1.64 4.77 0.96 -4.84 117.00 113.84 2nef n LEU 198 Ca 0.02 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 56.23 2nef n LEU 198 Cb 0.30 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2nef n LEU 198 CO 0.25 -0.44 -0.24 -1.00 -1.33 0.00 0.00 177.39 174.62 2nef s HIS 199 N -0.97 0.48 0.06 -1.77 3.76 -1.03 -4.98 115.29 110.83 2nef s HIS 199 Ca 0.00 -1.74 0.08 0.00 -0.15 0.00 0.00 55.06 53.25 2nef s HIS 199 Cb 0.00 -0.69 -0.22 0.00 1.11 0.00 0.00 32.58 32.78 2nef s HIS 199 CO 0.00 -0.90 1.04 -1.00 -0.85 0.00 0.00 174.74 173.03 2nef h PRO 200 N 6.09 0.02 0.00 8.40 0.13 -1.65 -3.30 132.00 141.69 2nef h PRO 200 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2nef h PRO 200 Cb 0.97 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2nef h PRO 200 CO 0.28 0.83 0.13 0.39 -0.23 0.00 0.00 178.00 179.41 2nef n GLU 201 N -3.25 0.12 0.00 0.86 1.02 -1.25 -1.34 120.64 116.79 2nef n GLU 201 Ca -0.07 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2nef n GLU 201 Cb 0.99 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2nef n TYR 202 N -2.17 0.00 0.00 -0.32 4.02 -1.24 -3.57 117.16 113.89 2nef n TYR 202 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2nef n TYR 202 Cb 0.16 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2nef n TYR 202 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2nef n PHE 203 N 0.02 -0.28 -3.58 -0.72 3.01 -0.45 -5.15 117.46 110.32 2nef n PHE 203 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 2nef n PHE 203 Cb 0.17 0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 2nef n PHE 203 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2nef s LYS 204 N -1.32 1.07 0.18 -1.08 -2.85 -1.16 -5.19 119.74 109.39 2nef s LYS 204 Ca 0.00 -0.47 -0.14 0.00 -1.00 0.00 0.00 55.97 54.36 2nef s LYS 204 Cb 0.00 0.44 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2nef s LYS 204 CO 0.00 -0.48 0.68 0.27 0.10 0.00 0.00 175.35 175.93 2nef n ASN 205 N -0.34 -1.37 0.00 0.03 6.94 -1.26 -3.94 115.26 115.32 2nef n ASN 205 Ca -0.09 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2nef n ASN 205 Cb 0.62 2.25 0.00 0.00 -2.36 0.00 0.00 39.78 40.29 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23