#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -1.92 -2.70 115.95 116.41 2nef h TRP 57 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2nef h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2nef h TRP 57 CO 0.00 0.40 0.00 -0.11 -1.28 0.00 0.00 178.44 177.45 2nef n LEU 58 N -3.43 0.00 0.00 0.11 0.00 -1.26 -3.55 117.00 108.87 2nef n LEU 58 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.06 2nef n LEU 58 Cb 0.56 0.00 0.27 0.00 0.00 0.00 0.00 43.42 44.25 2nef n LEU 58 CO 0.37 0.00 0.55 -0.62 0.00 0.00 0.00 177.39 177.69 2nef n GLU 59 N -0.65 0.68 -0.60 1.96 1.02 -1.02 -4.13 120.64 117.91 2nef n GLU 59 Ca 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 2nef n GLU 59 Cb 0.03 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nef n ALA 60 N -0.71 4.27 -0.01 0.62 0.00 -1.23 -4.32 120.51 119.14 2nef n ALA 60 Ca 0.07 -1.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 2nef n ALA 60 Cb 0.03 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.15 2nef n ALA 60 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nef h GLN 61 N 4.00 -0.07 0.00 0.00 5.75 -1.94 -3.44 115.11 119.41 2nef h GLN 61 Ca 0.11 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.43 2nef h GLN 61 Cb 0.93 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 29.36 2nef h GLN 61 CO 0.31 0.53 -0.27 -1.91 -2.65 0.00 0.00 178.83 174.84 2nef n GLU 62 N -4.80 0.70 -3.40 1.69 4.07 -1.26 -5.15 120.64 112.49 2nef n GLU 62 Ca -0.08 -1.49 -0.31 0.00 -0.06 0.00 0.00 57.16 55.22 2nef n GLU 62 Cb 0.31 -0.76 -0.05 0.00 -0.06 0.00 0.00 31.44 30.89 2nef n GLU 62 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2nef s GLU 63 N 0.22 3.74 0.00 5.31 -1.05 -1.26 -5.06 118.70 120.60 2nef s GLU 63 Ca 0.22 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.22 2nef s GLU 63 Cb 0.29 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 2nef s GLU 63 CO -0.11 0.29 0.00 0.39 0.95 0.00 0.00 175.26 176.78 2nef n GLU 64 N -0.37 0.00 -3.21 -4.83 1.02 -1.26 -4.98 120.64 107.01 2nef n GLU 64 Ca -0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2nef n GLU 64 Cb 0.53 -0.30 -0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2nef n GLU 64 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2nef s GLU 65 N 0.00 2.82 0.00 3.49 2.02 -1.26 -5.12 118.70 120.65 2nef s GLU 65 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2nef s GLU 65 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2nef s GLU 65 CO 0.00 -0.19 0.00 0.28 0.02 0.00 0.00 175.26 175.37 2nef n VAL 66 N -1.75 0.00 0.00 2.63 0.31 -1.26 -5.10 118.33 113.16 2nef n VAL 66 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2nef n VAL 66 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 5.00 0.71 3.90 2.92 0.00 -1.26 -5.08 105.19 111.38 2nef n GLY 67 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N 0.77 3.57 -0.38 1.61 -0.12 -1.26 -4.96 117.98 117.22 2nef s PHE 68 Ca 0.00 0.89 -0.27 0.00 -0.05 0.00 0.00 56.93 57.50 2nef s PHE 68 Cb 0.00 -2.36 -0.06 0.00 -0.63 0.00 0.00 43.02 39.97 2nef s PHE 68 CO 0.00 -0.33 2.31 -1.25 -0.05 0.00 0.00 175.22 175.90 2nef s PRO 69 N -4.76 2.55 0.61 1.99 0.04 -1.26 -4.97 135.00 129.21 2nef s PRO 69 Ca 0.49 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 2nef s PRO 69 Cb -0.10 -4.49 -0.01 0.00 0.04 0.00 0.00 34.50 29.94 2nef s PRO 69 CO 0.45 -2.76 0.97 0.14 0.04 0.00 0.00 177.00 175.84 2nef s VAL 70 N 10.45 4.07 -0.01 -0.36 -7.23 -1.26 -5.04 120.40 121.01 2nef s VAL 70 Ca 0.98 0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 61.31 2nef s VAL 70 Cb -0.24 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2nef s VAL 70 CO 0.30 -0.74 0.63 0.42 -0.31 0.00 0.00 175.10 175.40 2nef s THR 71 N -3.10 4.92 0.00 5.32 -4.23 -1.26 -5.07 115.64 112.22 2nef s THR 71 Ca 0.54 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 2nef s THR 71 Cb -0.11 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.76 2nef s THR 71 CO 0.49 0.37 0.00 -0.81 -0.54 0.00 0.00 174.62 174.13 2nef n PRO 72 N 2.98 1.03 -1.26 3.99 -0.04 -1.26 -4.43 135.00 136.01 2nef n PRO 72 Ca -0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 2nef n PRO 72 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 0.00 -2.76 0.54 3.00 -1.26 -4.82 117.38 112.08 2nef n GLN 73 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2nef n GLN 73 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 6.05 4.72 -0.07 5.09 -7.23 -1.26 -4.93 120.40 122.76 2nef s VAL 74 Ca 1.13 0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 61.80 2nef s VAL 74 Cb -0.99 -3.72 -0.14 0.00 0.56 0.00 0.00 36.38 32.09 2nef s VAL 74 CO 0.42 -0.54 0.81 -2.65 -0.31 0.00 0.00 175.10 172.84 2nef n PRO 75 N -1.31 0.00 -1.55 4.82 -0.02 -1.26 -4.64 135.00 131.04 2nef n PRO 75 Ca 0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.16 2nef n PRO 75 Cb 0.54 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.95 2nef n PRO 75 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nef n LEU 76 N 1.38 2.25 -4.82 2.45 4.77 -1.26 -4.93 117.00 116.85 2nef n LEU 76 Ca 0.15 -0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 2nef n LEU 76 Cb 0.04 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.50 2nef n LEU 76 CO 0.46 -1.61 0.67 -0.13 -1.33 0.00 0.00 177.39 175.46 2nef s ARG 77 N 8.34 4.01 -0.27 3.23 0.52 -1.26 -4.98 118.95 128.54 2nef s ARG 77 Ca 0.99 1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 57.00 2nef s ARG 77 Cb -0.19 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 2nef s ARG 77 CO 0.26 -0.22 1.50 -1.25 0.02 0.00 0.00 175.30 175.61 2nef s PRO 78 N -3.59 3.79 -0.41 3.54 0.04 -1.26 -4.93 135.00 132.18 2nef s PRO 78 Ca 0.62 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2nef s PRO 78 Cb -0.11 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2nef s PRO 78 CO 0.22 -1.30 1.97 1.41 0.04 0.00 0.00 177.00 179.35 2nef s MET 79 N 4.59 2.93 0.32 4.56 1.75 -1.26 -4.96 119.30 127.24 2nef s MET 79 Ca 0.66 1.31 -0.11 0.00 -1.25 0.00 0.00 55.69 56.30 2nef s MET 79 Cb -0.21 -4.33 -0.07 0.00 2.84 0.00 0.00 34.83 33.06 2nef s MET 79 CO 0.28 -2.34 0.68 0.95 -0.65 0.00 0.00 175.02 173.94 2nef s THR 80 N 8.48 4.82 0.25 10.11 -4.23 -1.26 -4.88 115.64 128.94 2nef s THR 80 Ca 0.82 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.92 2nef s THR 80 Cb -0.21 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.20 2nef s THR 80 CO 0.29 -0.28 1.75 0.22 -0.54 0.00 0.00 174.62 176.06 2nef h TYR 81 N 1.94 0.64 0.00 3.99 3.20 -1.93 2.66 116.97 127.47 2nef h TYR 81 Ca -0.47 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2nef h TYR 81 Cb 1.18 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2nef h TYR 81 CO 0.61 0.12 -0.03 -0.22 -1.64 0.00 0.00 178.16 177.00 2nef h LYS 82 N 0.53 0.00 -0.31 1.82 3.64 -1.95 -1.95 116.57 118.35 2nef h LYS 82 Ca 0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 2nef h LYS 82 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2nef h LYS 82 CO -0.38 0.03 0.07 0.00 -2.27 0.00 0.00 179.45 176.90 2nef h ALA 83 N 1.97 0.41 -0.14 5.00 0.00 0.43 0.62 119.26 127.54 2nef h ALA 83 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 83 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2nef h ALA 83 CO 0.00 0.08 0.07 0.00 0.00 0.00 0.00 179.25 179.41 2nef h ALA 84 N 0.90 0.18 -0.79 0.00 0.00 -0.58 0.94 119.26 119.92 2nef h ALA 84 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2nef h ALA 84 Cb 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2nef h ALA 84 CO 0.00 -0.27 0.33 0.28 0.00 0.00 0.00 179.25 179.59 2nef h VAL 85 N 0.12 1.26 0.25 0.00 2.07 -1.39 0.72 116.25 119.28 2nef h VAL 85 Ca 0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2nef h VAL 85 Cb 0.09 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2nef h VAL 85 CO -0.01 0.33 -0.12 0.44 0.02 0.00 0.00 177.57 178.23 2nef h ASP 86 N 1.14 -0.28 -0.70 0.57 5.19 -0.54 -2.06 116.42 119.74 2nef h ASP 86 Ca 0.26 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2nef h ASP 86 Cb 0.19 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2nef h ASP 86 CO -0.02 -0.14 0.36 0.25 -3.12 0.00 0.00 179.24 176.56 2nef h LEU 87 N -0.40 0.91 -0.06 1.55 5.85 -0.51 -0.36 115.31 122.29 2nef h LEU 87 Ca -0.03 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2nef h LEU 87 Cb 0.31 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2nef h LEU 87 CO 0.06 0.76 -0.27 0.77 -0.34 0.00 0.00 178.44 179.42 2nef h SER 88 N 1.01 -0.82 1.05 1.25 4.64 0.94 -0.87 113.55 120.74 2nef h SER 88 Ca 0.25 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 2nef h SER 88 Cb 0.08 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2nef h SER 88 CO -0.03 -0.33 -0.22 0.45 -0.87 0.00 0.00 176.83 175.83 2nef h HIS 89 N -0.38 0.00 0.81 4.77 3.86 -1.14 -2.97 115.15 120.09 2nef h HIS 89 Ca 0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2nef h HIS 89 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 2nef h HIS 89 CO -0.33 0.22 -0.47 0.35 0.86 0.00 0.00 177.93 178.56 2nef h PHE 90 N 0.00 -1.24 0.00 2.45 3.04 0.35 -1.81 116.94 119.73 2nef h PHE 90 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2nef h PHE 90 Cb 0.80 0.43 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 2nef h PHE 90 CO 0.00 -0.72 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.48 2nef h LEU 91 N -1.19 0.00 -0.17 0.59 3.38 -1.45 -0.53 115.31 115.93 2nef h LEU 91 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2nef h LEU 91 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2nef h LEU 91 CO 0.13 0.02 0.00 1.17 0.09 0.00 0.00 178.44 179.86 2nef n LYS 92 N -4.07 0.02 0.00 1.13 0.00 -0.69 -0.40 118.16 114.15 2nef n LYS 92 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.71 2nef n LYS 92 Cb 0.11 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.58 2nef n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2nef n GLU 93 N -1.61 0.00 0.21 1.64 -0.58 -0.21 -3.69 120.64 116.40 2nef n GLU 93 Ca 0.01 0.47 0.14 0.00 -0.42 0.00 0.00 57.16 57.36 2nef n GLU 93 Cb 0.07 -1.26 0.39 0.00 -0.57 0.00 0.00 31.44 30.08 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2nef h LYS 94 N 0.00 0.00 0.00 3.49 6.56 -1.74 -3.49 116.57 121.39 2nef h LYS 94 Ca 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.70 2nef h LYS 94 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 2nef h LYS 94 CO 0.00 0.00 -0.14 0.41 -2.06 0.00 0.00 179.45 177.66 2nef n GLY 95 N 0.72 -0.96 0.00 3.86 0.00 0.47 -4.60 105.19 104.69 2nef n GLY 95 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.22 1.53 0.15 -0.02 0.00 -1.26 -4.77 105.19 99.60 2nef n GLY 96 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 0.70 -9.55 0.99 5.85 -1.92 -3.40 115.31 107.98 2nef h LEU 97 Ca 0.00 -0.93 -0.59 0.00 0.84 0.00 0.00 57.88 57.20 2nef h LEU 97 Cb 0.00 -0.23 0.13 0.00 0.37 0.00 0.00 40.66 40.93 2nef h LEU 97 CO 0.00 1.77 0.06 1.21 -0.34 0.00 0.00 178.44 181.14 2nef n GLU 98 N -3.64 1.22 -0.48 1.25 2.13 -1.26 -0.45 120.64 119.41 2nef n GLU 98 Ca -0.22 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2nef n GLU 98 Cb 1.09 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 1.29 0.00 3.56 8.31 0.00 0.17 -4.85 105.19 113.68 2nef n GLY 99 Ca 0.10 0.00 -0.41 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 3.32 -0.18 0.99 1.98 0.41 -4.74 118.68 120.46 2nef s LEU 100 Ca 0.00 0.12 -0.37 0.00 -2.89 0.00 0.00 54.13 50.99 2nef s LEU 100 Cb 0.00 -2.84 -0.14 0.00 0.66 0.00 0.00 46.19 43.88 2nef s LEU 100 CO 0.00 -1.86 1.82 -0.38 -1.89 0.00 0.00 176.35 174.04 2nef n ILE 101 N 6.80 0.45 -1.76 6.68 2.08 -1.26 -3.40 119.36 128.96 2nef n ILE 101 Ca 0.11 -0.08 -0.21 0.00 0.56 0.00 0.00 62.75 63.14 2nef n ILE 101 Cb 0.50 -1.57 -0.06 0.00 -0.75 0.00 0.00 39.64 37.76 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 3.85 1.39 0.00 1.39 5.65 1.04 -4.81 115.29 123.80 2nef s HIS 102 Ca 0.96 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.71 2nef s HIS 102 Cb -0.88 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 26.84 2nef s HIS 102 CO 0.59 -1.72 0.10 -1.13 -0.65 0.00 0.00 174.74 171.92 2nef n SER 103 N 16.63 0.00 -2.66 9.88 3.41 -1.26 -3.36 113.62 136.25 2nef n SER 103 Ca 0.43 0.10 -0.04 0.00 -0.26 0.00 0.00 58.87 59.10 2nef n SER 103 Cb 0.46 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.38 0.22 0.00 4.33 10.64 -1.26 -4.62 117.38 126.31 2nef n GLN 104 Ca 0.00 -0.77 0.00 0.00 -1.83 0.00 0.00 57.00 54.40 2nef n GLN 104 Cb 0.00 -0.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.28 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2nef n ARG 105 N -0.08 0.00 -0.30 2.61 3.00 -1.26 -4.96 116.66 115.67 2nef n ARG 105 Ca -0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.79 2nef n ARG 105 Cb 0.70 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.44 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nef h ARG 106 N 0.00 0.46 -0.73 -0.14 -0.00 -1.96 0.60 114.38 112.61 2nef h ARG 106 Ca 0.00 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.50 2nef h ARG 106 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 29.97 29.81 2nef h ARG 106 CO 0.00 0.30 0.43 0.37 0.00 0.00 0.00 179.97 181.07 2nef h GLN 107 N 0.47 0.78 0.68 0.04 4.15 -1.99 0.16 115.11 119.41 2nef h GLN 107 Ca 0.52 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 2nef h GLN 107 Cb 0.91 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.43 2nef h GLN 107 CO -0.47 0.52 -0.33 -0.44 -1.93 0.00 0.00 178.83 176.18 2nef h ASP 108 N 0.81 -0.78 -0.95 -0.69 3.32 -1.27 -2.44 116.42 114.42 2nef h ASP 108 Ca 0.31 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.54 2nef h ASP 108 Cb 0.14 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.79 2nef h ASP 108 CO -0.16 -0.55 0.57 0.40 -1.72 0.00 0.00 179.24 177.78 2nef h ILE 109 N -0.94 0.81 0.00 0.35 1.08 -1.32 -0.54 117.51 116.95 2nef h ILE 109 Ca -0.09 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2nef h ILE 109 Cb 0.70 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 2nef h ILE 109 CO 0.15 0.15 0.00 -0.11 -0.69 0.00 0.00 178.15 177.65 2nef n LEU 110 N -4.73 0.00 -0.23 1.44 7.94 0.54 0.23 117.00 122.19 2nef n LEU 110 Ca 0.19 0.93 0.03 0.00 -1.11 0.00 0.00 56.01 56.05 2nef n LEU 110 Cb 0.44 -0.43 0.15 0.00 0.53 0.00 0.00 43.42 44.11 2nef n LEU 110 CO 0.24 -0.43 0.98 0.44 -1.11 0.00 0.00 177.39 177.51 2nef h ASP 111 N 0.00 0.18 -0.12 1.96 3.32 -1.26 -1.67 116.42 118.84 2nef h ASP 111 Ca 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2nef h ASP 111 Cb 0.00 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2nef h ASP 111 CO 0.00 0.08 0.04 0.25 -1.72 0.00 0.00 179.24 177.89 2nef h LEU 112 N 0.38 0.17 -0.42 1.55 5.85 -0.83 -2.20 115.31 119.81 2nef h LEU 112 Ca 0.37 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2nef h LEU 112 Cb 0.54 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2nef h LEU 112 CO -0.39 0.31 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.59 2nef h TRP 113 N 0.01 -0.43 -0.11 1.25 7.01 0.38 0.66 115.95 124.73 2nef h TRP 113 Ca 0.04 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.11 2nef h TRP 113 Cb 0.20 0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2nef h TRP 113 CO -0.01 -0.26 0.09 0.82 -2.79 0.00 0.00 178.44 176.29 2nef h ILE 114 N -0.09 0.84 0.35 2.65 2.04 -1.20 -2.51 117.51 119.59 2nef h ILE 114 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 2nef h ILE 114 Cb 0.41 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2nef h ILE 114 CO -0.48 0.00 -0.17 0.22 0.00 0.00 0.00 178.15 177.72 2nef h TYR 115 N 0.00 -0.44 0.00 1.37 3.20 0.96 0.41 116.97 122.48 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 0.23 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2nef h TYR 115 CO 0.00 -0.27 0.00 0.72 -1.64 0.00 0.00 178.16 176.97 2nef n HIS 116 N -3.63 0.44 0.00 -3.82 8.25 -0.85 -1.38 115.22 114.23 2nef n HIS 116 Ca -0.06 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2nef n HIS 116 Cb 0.19 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.45 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 -1.94 0.00 0.16 1.59 -2.24 -0.95 -4.23 114.28 106.67 2nef n THR 117 Ca -0.00 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 2nef n THR 117 Cb 0.06 -1.08 0.07 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.07 -0.78 4.20 -1.25 -3.44 115.11 113.77 2nef h GLN 118 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2nef h GLN 118 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2nef h GLN 118 CO 0.00 0.20 -0.03 0.41 -0.67 0.00 0.00 178.83 178.75 2nef n GLY 119 N 1.18 0.51 3.71 3.46 0.00 -0.02 -4.58 105.19 109.44 2nef n GLY 119 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.92 3.25 0.19 1.61 2.02 -1.25 -4.74 117.35 116.50 2nef s TYR 120 Ca 0.00 1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 57.49 2nef s TYR 120 Cb 0.00 -3.55 -0.08 0.00 -0.40 0.00 0.00 41.96 37.93 2nef s TYR 120 CO 0.00 -1.86 1.07 0.12 -1.57 0.00 0.00 175.55 173.31 2nef s PHE 121 N 1.41 3.64 0.00 2.71 2.19 -1.26 -4.60 117.98 122.07 2nef s PHE 121 Ca 0.61 1.65 -0.01 0.00 0.33 0.00 0.00 56.93 59.52 2nef s PHE 121 Cb -0.32 -3.23 -0.05 0.00 -1.31 0.00 0.00 43.02 38.11 2nef s PHE 121 CO 0.28 -0.44 1.34 -0.35 1.83 0.00 0.00 175.22 177.88 2nef n PRO 122 N 2.22 0.65 -0.01 10.12 -0.04 -1.26 -4.08 135.00 142.61 2nef n PRO 122 Ca 0.02 -0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2nef n PRO 122 Cb 0.46 -1.43 0.72 0.00 -0.04 0.00 0.00 33.50 33.21 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 2.12 0.50 -0.02 3.54 5.75 -1.26 -3.14 116.55 124.03 2nef n ASP 123 Ca 0.07 -1.26 0.04 0.00 -0.01 0.00 0.00 54.79 53.63 2nef n ASP 123 Cb 0.31 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.56 0.00 -2.36 2.11 4.27 -1.26 -4.85 117.44 114.80 2nef n TRP 124 Ca 0.20 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.43 2nef n TRP 124 Cb 0.18 -0.45 -0.03 0.00 -1.36 0.00 0.00 31.31 29.65 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 -2.88 3.05 0.32 -2.67 0.74 -1.19 -4.52 119.66 112.51 2nef s GLN 125 Ca -0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 2nef s GLN 125 Cb 0.08 -4.61 -0.01 0.00 1.10 0.00 0.00 33.01 29.57 2nef s GLN 125 CO 0.63 -2.48 0.39 -0.80 -0.55 0.00 0.00 175.29 172.48 2nef s ASN 126 N 5.70 0.94 0.31 6.67 0.01 -1.26 -5.07 114.94 122.24 2nef s ASN 126 Ca 0.50 -1.50 -0.18 0.00 -0.71 0.00 0.00 52.86 50.97 2nef s ASN 126 Cb -0.07 0.60 0.05 0.00 0.41 0.00 0.00 41.25 42.24 2nef s ASN 126 CO 0.09 -1.17 0.84 -0.31 -1.51 0.00 0.00 177.10 175.03 2nef s TYR 127 N -3.35 0.04 0.67 2.20 1.51 -1.26 -3.01 117.35 114.13 2nef s TYR 127 Ca 0.33 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 2nef s TYR 127 Cb 0.01 0.78 0.17 0.00 -0.11 0.00 0.00 41.96 42.81 2nef s TYR 127 CO 0.20 -1.34 0.41 0.25 -1.11 0.00 0.00 175.55 173.96 2nef n THR 128 N -0.55 0.00 0.00 -0.71 -2.24 -1.15 -4.59 114.28 105.04 2nef n THR 128 Ca -0.06 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2nef n THR 128 Cb 0.60 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.68 0.00 -3.56 -0.78 -0.02 -1.26 -4.60 135.00 121.10 2nef n PRO 129 Ca 0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.33 2nef n PRO 129 Cb 0.28 -1.13 0.08 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.71 -0.44 0.00 -1.23 0.00 -1.26 -5.01 105.19 97.95 2nef n GLY 130 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -4.56 0.90 0.00 1.61 -0.04 -1.26 -4.97 135.00 126.68 2nef n PRO 131 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2nef n PRO 131 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 3.88 -2.92 2.04 0.55 0.00 -1.26 -4.65 105.19 102.83 2nef n GLY 132 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.36 0.00 -3.16 -0.61 5.41 -1.26 -4.66 119.36 113.72 2nef n ILE 133 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 62.75 63.57 2nef n ILE 133 Cb 0.00 -0.99 -0.00 0.00 -0.71 0.00 0.00 39.64 37.94 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -4.42 0.63 0.33 0.38 0.52 -1.13 -4.84 118.95 110.43 2nef s ARG 134 Ca 0.42 0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 55.64 2nef s ARG 134 Cb -0.05 0.17 -0.09 0.00 0.52 0.00 0.00 34.95 35.50 2nef s ARG 134 CO 0.33 -1.04 0.76 0.71 0.02 0.00 0.00 175.30 176.08 2nef s TYR 135 N 2.39 3.38 -0.06 -0.53 1.51 -1.26 -2.65 117.35 120.12 2nef s TYR 135 Ca 0.14 1.27 -0.30 0.00 -1.01 0.00 0.00 57.07 57.17 2nef s TYR 135 Cb -0.07 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2nef s TYR 135 CO -0.17 0.09 1.16 -1.25 -1.11 0.00 0.00 175.55 174.27 2nef s PRO 136 N -2.95 4.36 0.06 -1.71 0.04 -1.26 -2.95 135.00 130.60 2nef s PRO 136 Ca 0.54 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 2nef s PRO 136 Cb -0.10 -3.55 -0.17 0.00 0.04 0.00 0.00 34.50 30.71 2nef s PRO 136 CO 0.17 -0.42 1.55 -0.07 0.04 0.00 0.00 177.00 178.27 2nef h LEU 137 N 8.15 -0.50-10.23 -3.56 3.38 -1.83 -3.43 115.31 107.30 2nef h LEU 137 Ca -0.34 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.09 2nef h LEU 137 Cb 1.16 0.13 0.14 0.00 0.09 0.00 0.00 40.66 42.17 2nef h LEU 137 CO 0.88 -0.29 0.35 0.42 0.09 0.00 0.00 178.44 179.89 2nef s THR 138 N -5.72 2.84 0.32 0.22 -4.23 -1.26 -5.02 115.64 102.79 2nef s THR 138 Ca -0.16 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.75 2nef s THR 138 Cb 0.04 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 2nef s THR 138 CO 0.61 -0.28 0.46 0.12 -0.54 0.00 0.00 174.62 174.99 2nef s PHE 139 N -2.40 3.27 0.00 3.99 5.36 -1.26 -4.45 117.98 122.48 2nef s PHE 139 Ca 0.68 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 2nef s PHE 139 Cb -0.22 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 2nef s PHE 139 CO 0.48 0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.76 2nef n GLY 140 N -1.62 2.88 3.55 13.12 0.00 -1.26 -4.91 105.19 116.94 2nef n GLY 140 Ca -0.03 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.79 2.14 -0.06 1.61 -0.00 -1.26 -3.55 118.94 117.04 2nef s TRP 141 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 56.10 56.15 2nef s TRP 141 Cb 0.00 -4.46 0.05 0.00 -0.00 0.00 0.00 33.47 29.06 2nef s TRP 141 CO 0.00 -2.07 1.69 0.00 -0.00 0.00 0.00 176.95 176.57 2nef s TYR 143 N -0.37 2.81 -0.04 0.00 2.02 -1.26 -1.51 117.35 119.00 2nef s TYR 143 Ca 0.06 -1.65 0.03 0.00 -0.37 0.00 0.00 57.07 55.14 2nef s TYR 143 Cb 0.05 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2nef s TYR 143 CO 0.00 -0.80 -0.13 -1.59 -1.57 0.00 0.00 175.55 171.46 2nef s LYS 144 N 1.29 1.36 0.46 -0.62 -2.85 -1.18 -4.57 119.74 113.63 2nef s LYS 144 Ca 0.04 -0.44 -0.20 0.00 -1.00 0.00 0.00 55.97 54.37 2nef s LYS 144 Cb -0.13 -1.21 -0.10 0.00 -2.06 0.00 0.00 37.83 34.33 2nef s LYS 144 CO -0.12 0.17 0.99 -0.51 0.10 0.00 0.00 175.35 175.97 2nef s LEU 145 N 0.15 3.88 -0.27 2.77 1.43 -1.09 -0.52 118.68 125.03 2nef s LEU 145 Ca -0.04 1.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2nef s LEU 145 Cb -0.10 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.70 2nef s LEU 145 CO 0.01 -0.56 0.56 -0.69 0.23 0.00 0.00 176.35 175.90 2nef s VAL 146 N -2.13 -0.87 0.86 -1.59 1.01 -0.78 -2.82 120.40 114.08 2nef s VAL 146 Ca 0.64 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 2nef s VAL 146 Cb -0.12 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2nef s VAL 146 CO 0.17 0.02 0.11 -2.65 0.00 0.00 0.00 175.10 172.75 2nef n PRO 147 N 5.43 -1.48 0.00 2.72 -0.02 -1.26 -2.98 135.00 137.40 2nef n PRO 147 Ca -0.09 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 2nef n PRO 147 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nef n VAL 148 N -3.95 0.00 -2.88 -1.45 0.31 -1.26 -4.74 118.33 104.35 2nef n VAL 148 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 2nef n VAL 148 Cb 0.28 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.89 -0.06 5.55 1.02 -1.26 -4.97 120.64 121.81 2nef n GLU 149 Ca 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 57.16 54.84 2nef n GLU 149 Cb 0.00 -1.31 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.90 1.26 0.04 3.49 -0.04 -1.26 -4.16 135.00 135.24 2nef n PRO 150 Ca 0.12 -0.27 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 2nef n PRO 150 Cb 0.65 -1.32 0.15 0.00 -0.04 0.00 0.00 33.50 32.94 2nef n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 151 N -0.12 0.04 -0.01 0.54 1.02 -1.26 -2.99 120.64 117.86 2nef n GLU 151 Ca 0.02 0.53 -0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2nef n GLU 151 Cb 0.20 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2nef n GLU 151 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2nef h LYS 152 N 0.00 0.00 0.00 3.49 1.57 -2.04 -3.47 116.57 116.11 2nef h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nef h LYS 152 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nef h LYS 152 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 2nef n LEU 153 N -2.35 0.00 -3.87 2.94 4.32 -1.16 -5.11 117.00 111.77 2nef n LEU 153 Ca -0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2nef n LEU 153 Cb 0.01 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2nef n LEU 153 CO 0.00 -0.29 0.45 -1.61 -1.22 0.00 0.00 177.39 174.72 2nef s GLU 154 N -1.65 2.11 0.35 3.23 8.01 -1.26 -4.96 118.70 124.53 2nef s GLU 154 Ca 0.00 -1.43 -0.26 0.00 0.01 0.00 0.00 54.97 53.29 2nef s GLU 154 Cb 0.00 0.59 -0.09 0.00 -4.31 0.00 0.00 34.13 30.32 2nef s GLU 154 CO 0.00 -0.96 1.07 -2.00 0.01 0.00 0.00 175.26 173.37 2nef s GLU 155 N -2.69 4.36 0.00 1.61 2.12 -1.26 -4.88 118.70 117.95 2nef s GLU 155 Ca 0.18 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.13 2nef s GLU 155 Cb -0.04 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.54 2nef s GLU 155 CO 0.12 0.00 0.24 0.00 -0.54 0.00 0.00 175.26 175.09 2nef n ALA 156 N 0.44 -0.09 -3.66 6.30 0.00 -1.26 -5.13 120.51 117.11 2nef n ALA 156 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 2nef n ALA 156 Cb 0.48 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 2nef n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nef s ASN 157 N -0.23 -0.73 -0.32 0.00 4.22 -1.26 -5.11 114.94 111.51 2nef s ASN 157 Ca 0.00 1.25 -0.29 0.00 -2.14 0.00 0.00 52.86 51.68 2nef s ASN 157 Cb 0.00 1.34 -0.00 0.00 1.28 0.00 0.00 41.25 43.86 2nef s ASN 157 CO 0.00 -0.22 1.44 -0.54 -2.04 0.00 0.00 177.10 175.73 2nef s LYS 158 N 1.93 3.75 0.00 3.55 1.02 -1.26 -4.84 119.74 123.88 2nef s LYS 158 Ca -0.08 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.17 2nef s LYS 158 Cb -0.08 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 2nef s LYS 158 CO -0.16 -1.34 0.00 -0.25 -0.92 0.00 0.00 175.35 172.68 2nef n ASP 174 N 8.33 0.00 -4.84 2.83 8.00 -1.26 -5.14 116.55 124.48 2nef n ASP 174 Ca 0.17 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2nef n ASP 174 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2nef n ASP 174 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2nef s ASP 175 N 1.42 6.81 1.05 -2.24 1.47 -1.26 -5.07 116.67 118.85 2nef s ASP 175 Ca 0.00 1.37 -0.05 0.00 1.18 0.00 0.00 52.55 55.05 2nef s ASP 175 Cb 0.00 -2.41 0.08 0.00 -0.34 0.00 0.00 42.92 40.25 2nef s ASP 175 CO 0.00 -0.24 0.31 -0.81 0.68 0.00 0.00 175.17 175.11 2nef n PRO 176 N -0.42 -1.33 -2.59 2.11 -0.04 -1.26 -4.88 135.00 126.60 2nef n PRO 176 Ca 0.04 -0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 62.58 2nef n PRO 176 Cb 0.53 -0.43 -0.00 0.00 -0.04 0.00 0.00 33.50 33.56 2nef n PRO 176 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2nef s GLU 177 N -3.70 3.94 0.97 0.54 2.12 -1.26 -4.97 118.70 116.35 2nef s GLU 177 Ca 0.20 -1.91 -0.16 0.00 0.36 0.00 0.00 54.97 53.46 2nef s GLU 177 Cb -0.02 -5.50 0.19 0.00 0.26 0.00 0.00 34.13 29.06 2nef s GLU 177 CO 0.15 -2.24 1.25 1.03 -0.54 0.00 0.00 175.26 174.91 2nef s ARG 178 N 4.24 0.60 -1.20 4.30 0.52 -1.26 -4.87 118.95 121.28 2nef s ARG 178 Ca 0.53 -0.22 -0.15 0.00 -0.52 0.00 0.00 55.73 55.37 2nef s ARG 178 Cb 0.03 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 2nef s ARG 178 CO 0.06 -2.47 2.23 0.39 0.02 0.00 0.00 175.30 175.53 2nef n GLU 179 N -3.85 2.46 -2.21 3.54 -0.58 -1.26 -4.79 120.64 113.95 2nef n GLU 179 Ca 0.13 -2.15 -0.43 0.00 -0.42 0.00 0.00 57.16 54.29 2nef n GLU 179 Cb 0.60 -2.99 0.00 0.00 -0.57 0.00 0.00 31.44 28.48 2nef n GLU 179 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2nef n VAL 180 N 5.03 4.00 -5.04 2.62 0.31 -1.23 -4.38 118.33 119.64 2nef n VAL 180 Ca 0.54 -3.93 -0.32 0.00 -0.01 0.00 0.00 64.34 60.62 2nef n VAL 180 Cb 0.34 -2.45 -0.14 0.00 -0.91 0.00 0.00 33.84 30.67 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 1.18 2.47 -0.02 7.52 1.43 -1.22 -4.53 118.68 125.51 2nef s LEU 181 Ca 0.44 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2nef s LEU 181 Cb 0.09 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2nef s LEU 181 CO -0.02 0.33 0.31 -1.83 0.23 0.00 0.00 176.35 175.37 2nef s GLU 182 N -0.72 3.70 -0.39 1.70 -1.05 -1.16 0.34 118.70 121.12 2nef s GLU 182 Ca 0.11 0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.77 2nef s GLU 182 Cb -0.10 -3.15 0.01 0.00 -0.44 0.00 0.00 34.13 30.44 2nef s GLU 182 CO 0.00 0.69 1.39 -1.58 0.95 0.00 0.00 175.26 176.71 2nef s TRP 183 N -1.16 2.45 -0.58 4.83 0.51 -1.22 -1.87 118.94 121.90 2nef s TRP 183 Ca 0.23 0.71 -0.20 0.00 -2.12 0.00 0.00 56.10 54.72 2nef s TRP 183 Cb -0.14 -4.23 0.09 0.00 -0.81 0.00 0.00 33.47 28.38 2nef s TRP 183 CO 0.12 -1.95 0.74 0.50 -0.51 0.00 0.00 176.95 175.85 2nef s ARG 184 N 4.78 3.08 0.26 4.98 3.52 0.32 0.46 118.95 136.35 2nef s ARG 184 Ca 0.60 -1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2nef s ARG 184 Cb -0.14 -4.21 -0.10 0.00 -1.56 0.00 0.00 34.95 28.93 2nef s ARG 184 CO 0.31 -1.52 1.38 0.12 -0.81 0.00 0.00 175.30 174.78 2nef s PHE 185 N 2.96 3.06 -0.44 5.12 2.19 -1.26 -3.10 117.98 126.51 2nef s PHE 185 Ca 0.15 1.16 0.07 0.00 0.33 0.00 0.00 56.93 58.64 2nef s PHE 185 Cb -0.21 -3.75 0.31 0.00 -1.31 0.00 0.00 43.02 38.06 2nef s PHE 185 CO 0.09 -2.33 0.97 -3.47 1.83 0.00 0.00 175.22 172.30 2nef n ASP 186 N 1.99 -1.61 0.07 6.13 2.03 -0.57 -4.96 116.55 119.62 2nef n ASP 186 Ca 0.05 -3.44 0.01 0.00 0.52 0.00 0.00 54.79 51.93 2nef n ASP 186 Cb 0.41 1.23 0.06 0.00 -0.72 0.00 0.00 41.12 42.10 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 0.60 0.05 0.21 1.67 3.41 -1.26 -0.14 113.62 118.16 2nef n SER 187 Ca 0.11 0.22 0.05 0.00 -0.26 0.00 0.00 58.87 58.99 2nef n SER 187 Cb 0.67 -0.14 0.50 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.05 0.00 4.33 3.08 -1.93 -0.40 114.38 119.51 2nef h ARG 188 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2nef h ARG 188 Cb 0.95 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2nef h ARG 188 CO 0.00 0.20 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 2nef n LEU 189 N -4.34 0.00 0.00 3.04 4.77 0.80 -2.26 117.00 119.00 2nef n LEU 189 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2nef n LEU 189 Cb 0.23 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.85 2nef n LEU 189 CO 0.36 0.00 0.79 0.00 -1.33 0.00 0.00 177.39 177.22 2nef n ALA 190 N -0.76 2.12 0.08 -1.18 0.00 -0.16 -4.32 120.51 116.29 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 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.16 -1.29 -2.49 0.00 -1.74 -0.96 -4.95 117.46 104.87 2nef n PHE 191 Ca 0.12 0.23 -0.36 0.00 -0.56 0.00 0.00 57.45 56.87 2nef n PHE 191 Cb 0.12 0.44 -0.03 0.00 1.52 0.00 0.00 39.48 41.52 2nef n PHE 191 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 2nef s HIS 192 N -1.62 3.17 -0.43 2.97 -3.43 -1.25 -5.01 115.29 109.69 2nef s HIS 192 Ca 0.00 1.62 -0.08 0.00 -0.80 0.00 0.00 55.06 55.80 2nef s HIS 192 Cb 0.00 -3.16 0.10 0.00 -1.43 0.00 0.00 32.58 28.09 2nef s HIS 192 CO 0.00 -0.80 0.27 -3.38 -2.00 0.00 0.00 174.74 168.83 2nef s HIS 193 N -1.67 3.42 0.00 0.38 -3.43 -1.26 -4.62 115.29 108.11 2nef s HIS 193 Ca 0.60 -1.86 -0.19 0.00 -0.80 0.00 0.00 55.06 52.80 2nef s HIS 193 Cb -0.23 -3.19 -0.27 0.00 -1.43 0.00 0.00 32.58 27.46 2nef s HIS 193 CO 0.28 -0.93 1.04 1.98 -2.00 0.00 0.00 174.74 175.11 2nef h MET 194 N 8.34 0.43 -0.86 -0.38 4.05 -1.94 -3.20 114.93 121.35 2nef h MET 194 Ca -0.20 -0.54 0.24 0.00 -0.28 0.00 0.00 59.70 58.91 2nef h MET 194 Cb 1.07 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 32.00 2nef h MET 194 CO 0.78 1.20 0.61 0.00 0.23 0.00 0.00 176.91 179.73 2nef h ALA 195 N 0.25 2.69 0.00 0.39 0.00 -1.91 0.68 119.26 121.36 2nef h ALA 195 Ca -0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2nef h ALA 195 Cb 1.53 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2nef h ALA 195 CO 0.15 -0.94 -0.48 -0.09 0.00 0.00 0.00 179.25 177.89 2nef h ARG 196 N 0.08 0.00 -0.15 0.00 2.43 -1.69 -2.43 114.38 112.63 2nef h ARG 196 Ca 0.42 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.45 2nef h ARG 196 Cb 1.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2nef h ARG 196 CO -0.04 0.48 -0.49 0.93 -1.51 0.00 0.00 179.97 179.34 2nef h GLU 197 N 0.00 0.39 0.09 0.20 5.08 0.33 -3.33 114.58 117.34 2nef h GLU 197 Ca -0.00 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2nef h GLU 197 Cb 1.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2nef h GLU 197 CO 0.06 0.80 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.76 2nef h LEU 198 N 0.31 -0.10 -7.97 1.33 -0.00 -1.34 -3.49 115.31 104.06 2nef h LEU 198 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 2nef h LEU 198 Cb 0.97 0.03 -0.14 0.00 -0.00 0.00 0.00 40.66 41.52 2nef h LEU 198 CO 0.08 0.14 -0.47 -1.38 -0.00 0.00 0.00 178.44 176.81 2nef s HIS 199 N -1.83 0.29 0.00 1.13 -3.43 -0.93 -5.14 115.29 105.39 2nef s HIS 199 Ca -0.02 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 2nef s HIS 199 Cb 0.00 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2nef s HIS 199 CO 0.05 -0.50 0.00 -2.30 -2.00 0.00 0.00 174.74 169.99 2nef n PRO 200 N -0.01 0.00 0.00 -0.38 -0.02 -1.26 -4.01 135.00 129.32 2nef n PRO 200 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2nef n PRO 200 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 2nef n PRO 200 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 201 N 0.00 0.00 -1.20 -0.52 1.02 -1.26 -4.53 120.64 114.15 2nef n GLU 201 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2nef n GLU 201 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.00 1.15 0.73 -0.32 4.01 -1.26 -4.62 117.16 116.86 2nef n TYR 202 Ca 0.00 -2.21 0.00 0.00 -0.16 0.00 0.00 57.90 55.53 2nef n TYR 202 Cb 0.00 -1.94 0.00 0.00 -0.31 0.00 0.00 39.34 37.09 2nef n TYR 202 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 2nef n PHE 203 N 2.77 0.00 0.00 -0.72 1.16 -1.26 -4.76 117.46 114.65 2nef n PHE 203 Ca 0.58 -0.51 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 2nef n PHE 203 Cb 0.60 -0.26 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 2nef n PHE 203 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2nef n LYS 204 N 0.68 0.22 0.00 3.97 5.02 -1.26 -4.99 118.16 121.79 2nef n LYS 204 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nef n LYS 204 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2nef n LYS 204 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2nef n ASN 205 N 0.00 0.00 -0.10 4.39 5.15 -1.26 -5.18 115.26 118.26 2nef n ASN 205 Ca 0.00 -1.00 0.16 0.00 -0.60 0.00 0.00 54.58 53.14 2nef n ASN 205 Cb 0.00 0.00 0.86 0.00 -0.53 0.00 0.00 39.78 40.11 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66