#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8f h ILE 3 N 0.00 0.86 -0.46 -1.44 1.08 -2.04 0.72 117.51 116.23 3b8f h ILE 3 Ca 0.00 -0.12 0.09 0.00 -0.39 0.00 0.00 64.86 64.44 3b8f h ILE 3 Cb 0.00 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.16 3b8f h ILE 3 CO 0.00 0.06 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.13 3b8f h GLU 4 N 0.34 0.05 -0.38 2.37 3.07 -1.99 -1.06 114.58 116.97 3b8f h GLU 4 Ca 0.21 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 3b8f h GLU 4 Cb 0.20 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3b8f h GLU 4 CO -0.21 0.03 0.06 1.96 -1.40 0.00 0.00 179.01 179.45 3b8f h GLN 5 N 0.05 0.64 -0.33 2.33 4.20 -1.91 0.15 115.11 120.24 3b8f h GLN 5 Ca 0.23 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3b8f h GLN 5 Cb 0.35 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3b8f h GLN 5 CO -0.44 0.70 0.21 1.96 -0.67 0.00 0.00 178.83 180.59 3b8f h GLN 6 N 0.48 0.44 0.08 1.46 4.20 -0.55 -0.26 115.11 120.96 3b8f h GLN 6 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3b8f h GLN 6 Cb 0.37 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3b8f h GLN 6 CO 0.01 0.31 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.38 3b8f h LEU 7 N 0.44 -0.09 -0.65 1.46 3.38 -1.07 -2.25 115.31 116.53 3b8f h LEU 7 Ca 0.12 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3b8f h LEU 7 Cb -0.02 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3b8f h LEU 7 CO -0.02 0.10 0.35 0.22 0.09 0.00 0.00 178.44 179.18 3b8f h TYR 8 N -0.27 0.65 -0.23 1.13 3.20 -0.86 -2.58 116.97 118.00 3b8f h TYR 8 Ca -0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3b8f h TYR 8 Cb 0.23 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3b8f h TYR 8 CO -0.02 0.30 0.04 0.22 -1.64 0.00 0.00 178.16 177.06 3b8f h ASP 9 N 0.65 0.37 -0.30 -2.11 3.58 -0.95 -0.80 116.42 116.86 3b8f h ASP 9 Ca 0.29 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 3b8f h ASP 9 Cb 0.20 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3b8f h ASP 9 CO -0.19 0.53 -0.13 1.62 -2.88 0.00 0.00 179.24 178.19 3b8f h VAL 10 N 0.19 1.26 -0.13 2.25 3.04 -1.26 -0.64 116.25 120.95 3b8f h VAL 10 Ca 0.07 -1.17 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 3b8f h VAL 10 Cb 0.32 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3b8f h VAL 10 CO 0.00 0.40 -0.04 0.58 -1.01 0.00 0.00 177.57 177.49 3b8f h VAL 11 N 0.66 1.30 -0.39 1.51 2.07 -1.33 -2.04 116.25 118.02 3b8f h VAL 11 Ca 0.11 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3b8f h VAL 11 Cb 0.59 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3b8f h VAL 11 CO 0.04 0.30 0.04 0.50 0.02 0.00 0.00 177.57 178.47 3b8f h LYS 12 N -0.06 0.15 -0.87 1.57 3.64 -0.99 -0.01 116.57 120.00 3b8f h LYS 12 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3b8f h LYS 12 Cb 0.48 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 3b8f h LYS 12 CO 0.02 0.10 0.47 1.96 -2.27 0.00 0.00 179.45 179.72 3b8f h GLN 13 N 0.16 1.21 -0.29 1.90 4.20 -1.12 -0.91 115.11 120.26 3b8f h GLN 13 Ca 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3b8f h GLN 13 Cb 0.25 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3b8f h GLN 13 CO -0.28 0.90 0.16 1.25 -0.67 0.00 0.00 178.83 180.18 3b8f h LEU 14 N 1.21 0.36 -0.80 1.46 5.85 -0.89 -0.96 115.31 121.54 3b8f h LEU 14 Ca 0.30 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3b8f h LEU 14 Cb 0.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3b8f h LEU 14 CO -0.05 0.34 0.31 0.40 -0.34 0.00 0.00 178.44 179.10 3b8f h ILE 15 N 0.35 1.26 -0.62 4.05 2.04 -0.70 0.33 117.51 124.22 3b8f h ILE 15 Ca 0.10 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 3b8f h ILE 15 Cb 0.06 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3b8f h ILE 15 CO -0.02 0.34 0.21 -0.33 0.00 0.00 0.00 178.15 178.35 3b8f h GLU 16 N 1.16 0.96 -0.02 2.37 5.08 -1.01 0.29 114.58 123.41 3b8f h GLU 16 Ca 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3b8f h GLU 16 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3b8f h GLU 16 CO -0.02 0.84 -0.02 0.37 -1.00 0.00 0.00 179.01 179.18 3b8f h GLN 17 N 0.88 0.04 0.00 2.33 5.75 -0.84 -3.26 115.11 120.02 3b8f h GLN 17 Ca 0.20 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.51 3b8f h GLN 17 Cb 0.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3b8f h GLN 17 CO -0.01 0.55 -1.08 -0.09 -2.65 0.00 0.00 178.83 175.56 3b8f h ARG 18 N -0.46 0.00 -2.07 1.69 9.65 -0.33 -3.39 114.38 119.47 3b8f h ARG 18 Ca 0.00 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 3b8f h ARG 18 Cb 0.55 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.72 3b8f h ARG 18 CO 0.00 0.47 -1.02 0.66 2.80 0.00 0.00 179.97 182.89 3b8f n TYR 19 N -3.08 1.13 0.28 2.20 4.01 0.10 -4.94 117.16 116.86 3b8f n TYR 19 Ca -0.05 -3.83 0.14 0.00 -0.16 0.00 0.00 57.90 54.00 3b8f n TYR 19 Cb 0.84 -0.43 0.81 0.00 -0.31 0.00 0.00 39.34 40.25 3b8f n TYR 19 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3b8f h PRO 20 N 3.31 0.00 -5.59 -0.72 0.13 -1.67 -3.43 132.00 124.03 3b8f h PRO 20 Ca 0.11 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.78 3b8f h PRO 20 Cb 0.83 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.76 3b8f h PRO 20 CO 0.58 0.07 -0.78 -0.80 -0.23 0.00 0.00 178.00 176.84 3b8f s ASN 21 N -6.16 2.03 0.67 1.44 0.01 -1.26 -4.68 114.94 107.00 3b8f s ASN 21 Ca -0.04 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 3b8f s ASN 21 Cb 0.14 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.72 3b8f s ASN 21 CO 0.57 -0.06 0.00 0.47 -1.51 0.00 0.00 177.10 176.56 3b8f n ASP 22 N 0.95 -0.47 -4.75 -1.22 8.00 -1.26 -4.77 116.55 113.02 3b8f n ASP 22 Ca -0.19 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 3b8f n ASP 22 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3b8f n ASP 22 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3b8f n TRP 23 N 0.00 2.58 -3.79 1.24 -0.00 -1.19 -3.42 117.44 112.85 3b8f n TRP 23 Ca 0.00 0.44 -0.13 0.00 -0.00 0.00 0.00 57.50 57.81 3b8f n TRP 23 Cb 0.00 -2.43 -0.12 0.00 -0.00 0.00 0.00 31.31 28.75 3b8f n TRP 23 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 3b8f s GLY 24 N -0.58 -0.14 -0.05 5.87 0.00 -0.73 -4.88 107.32 106.80 3b8f s GLY 24 Ca 0.64 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.67 3b8f s GLY 24 CO 0.55 0.59 0.72 -0.32 0.00 0.00 0.00 173.10 174.64 3b8f s GLY 25 N 0.27 -0.54 0.25 0.20 0.00 -1.26 -0.13 107.32 106.11 3b8f s GLY 25 Ca -0.01 1.37 -0.22 0.00 0.00 0.00 0.00 44.72 45.85 3b8f s GLY 25 CO -0.01 0.92 0.81 0.00 0.00 0.00 0.00 173.10 174.82 3b8f s ALA 26 N -1.33 -1.32 0.07 3.20 0.00 -0.43 -4.66 121.76 117.28 3b8f s ALA 26 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3b8f s ALA 26 Cb -0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3b8f s ALA 26 CO 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 175.76 174.73 3b8f s ALA 27 N -3.56 0.71 0.03 0.00 0.00 -0.64 -1.25 121.76 117.05 3b8f s ALA 27 Ca 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3b8f s ALA 27 Cb -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3b8f s ALA 27 CO 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 175.76 175.59 3b8f s ALA 28 N -2.58 0.60 -0.08 0.00 0.00 -0.18 -1.32 121.76 118.21 3b8f s ALA 28 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3b8f s ALA 28 Cb -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3b8f s ALA 28 CO -0.03 0.03 -0.15 0.42 0.00 0.00 0.00 175.76 176.03 3b8f s ILE 29 N -1.04 1.37 -0.10 0.00 -1.09 0.56 -1.54 121.20 119.35 3b8f s ILE 29 Ca -0.06 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 3b8f s ILE 29 Cb -0.08 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 3b8f s ILE 29 CO 0.00 0.41 0.07 -0.60 -1.23 0.00 0.00 174.94 173.60 3b8f s ARG 30 N 0.62 3.22 0.42 2.79 3.52 -0.32 -0.35 118.95 128.84 3b8f s ARG 30 Ca -0.15 -0.27 0.07 0.00 -0.13 0.00 0.00 55.73 55.25 3b8f s ARG 30 Cb -0.16 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 3b8f s ARG 30 CO 0.05 0.74 0.18 0.14 -0.81 0.00 0.00 175.30 175.60 3b8f s VAL 31 N -0.97 2.27 0.36 7.11 -7.23 -0.27 -0.59 120.40 121.08 3b8f s VAL 31 Ca 0.15 -1.70 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 3b8f s VAL 31 Cb -0.12 -2.97 0.30 0.00 0.56 0.00 0.00 36.38 34.15 3b8f s VAL 31 CO 0.04 0.00 1.95 -0.33 -0.31 0.00 0.00 175.10 176.45 3b8f h GLU 32 N 1.41 0.72 0.00 4.82 5.08 -1.53 0.16 114.58 125.24 3b8f h GLU 32 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3b8f h GLU 32 Cb 1.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3b8f h GLU 32 CO 0.70 0.48 0.00 -0.40 -1.00 0.00 0.00 179.01 178.79 3b8f n ASP 33 N -4.49 0.00 0.00 1.42 5.75 -1.26 -4.87 116.55 113.11 3b8f n ASP 33 Ca 0.11 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3b8f n ASP 33 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3b8f n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b8f n GLY 34 N 0.88 0.06 3.72 6.12 0.00 0.55 -5.06 105.19 111.46 3b8f n GLY 34 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3b8f n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3b8f n THR 35 N -1.96 1.77 -4.85 2.61 -1.04 -1.25 -4.76 114.28 104.80 3b8f n THR 35 Ca 0.00 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 3b8f n THR 35 Cb 0.00 -1.72 -0.16 0.00 -1.82 0.00 0.00 70.33 66.64 3b8f n THR 35 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3b8f s ILE 36 N -0.86 2.54 -0.02 12.58 1.01 -1.26 -1.11 121.20 134.08 3b8f s ILE 36 Ca 0.57 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3b8f s ILE 36 Cb -0.54 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3b8f s ILE 36 CO 0.60 0.54 0.01 -0.31 0.00 0.00 0.00 174.94 175.77 3b8f s TYR 37 N 0.51 3.12 0.14 3.97 2.02 0.53 -4.95 117.35 122.70 3b8f s TYR 37 Ca -0.12 0.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.79 3b8f s TYR 37 Cb -0.16 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3b8f s TYR 37 CO 0.05 0.47 -0.21 0.95 -1.57 0.00 0.00 175.55 175.24 3b8f s THR 38 N -1.06 1.89 0.14 -0.71 -4.23 -1.26 -0.33 115.64 110.08 3b8f s THR 38 Ca 0.19 -1.78 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 3b8f s THR 38 Cb -0.12 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.96 3b8f s THR 38 CO 0.09 -0.16 0.39 -0.94 -0.54 0.00 0.00 174.62 173.47 3b8f s SER 39 N -2.34 -0.18 0.23 3.99 1.04 -0.44 -4.46 113.70 111.55 3b8f s SER 39 Ca 0.13 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.19 3b8f s SER 39 Cb -0.08 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 3b8f s SER 39 CO 0.06 -0.89 -0.13 0.68 0.98 0.00 0.00 173.24 173.94 3b8f s VAL 40 N -3.84 1.83 0.33 5.02 -7.23 -1.25 -1.62 120.40 113.63 3b8f s VAL 40 Ca 0.06 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 57.72 3b8f s VAL 40 Cb 0.02 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 3b8f s VAL 40 CO -0.09 -0.50 1.24 0.00 -0.31 0.00 0.00 175.10 175.45 3b8f s ALA 41 N -2.91 3.44 0.46 1.32 0.00 -1.26 -4.72 121.76 118.08 3b8f s ALA 41 Ca 0.25 1.14 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 3b8f s ALA 41 Cb -0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3b8f s ALA 41 CO 0.09 -0.51 1.16 -1.25 0.00 0.00 0.00 175.76 175.26 3b8f s PRO 42 N -1.75 3.77 0.53 0.00 0.04 -1.26 -5.03 135.00 131.31 3b8f s PRO 42 Ca 0.49 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 3b8f s PRO 42 Cb -0.37 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 3b8f s PRO 42 CO 0.49 -0.54 1.17 -0.51 0.04 0.00 0.00 177.00 177.65 3b8f s ASP 43 N -1.35 5.70 0.10 6.66 1.01 -1.26 -4.82 116.67 122.71 3b8f s ASP 43 Ca 0.63 2.31 0.02 0.00 0.71 0.00 0.00 52.55 56.22 3b8f s ASP 43 Cb -0.29 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.01 3b8f s ASP 43 CO 0.35 -1.24 -0.07 0.68 0.21 0.00 0.00 175.17 175.10 3b8f s VAL 44 N -1.63 0.75 -0.02 -1.27 -7.23 -1.26 -5.03 120.40 104.70 3b8f s VAL 44 Ca 0.71 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 3b8f s VAL 44 Cb -0.28 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 3b8f s VAL 44 CO 0.32 -0.85 0.06 2.30 -0.31 0.00 0.00 175.10 176.62 3b8f n ILE 45 N -0.03 0.14 -5.05 -0.62 -5.35 -1.26 -4.99 119.36 102.21 3b8f n ILE 45 Ca -0.12 -0.14 -0.28 0.00 -0.27 0.00 0.00 62.75 61.93 3b8f n ILE 45 Cb 0.61 -0.24 -0.16 0.00 -1.74 0.00 0.00 39.64 38.11 3b8f n ILE 45 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3b8f s ASN 46 N -3.02 2.58 0.58 7.28 4.22 -1.26 -5.02 114.94 120.30 3b8f s ASN 46 Ca -0.02 -0.42 0.34 0.00 -2.14 0.00 0.00 52.86 50.62 3b8f s ASN 46 Cb 0.02 -0.62 1.82 0.00 1.28 0.00 0.00 41.25 43.75 3b8f s ASN 46 CO 0.18 0.21 2.20 0.00 -2.04 0.00 0.00 177.10 177.65 3b8f h ALA 47 N 6.03 1.24 -0.04 3.54 0.00 -2.00 0.14 119.26 128.17 3b8f h ALA 47 Ca -0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3b8f h ALA 47 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b8f h ALA 47 CO 0.47 0.05 0.17 1.03 0.00 0.00 0.00 179.25 180.98 3b8f h SER 48 N 0.00 0.00 -0.56 0.00 0.87 -2.03 -2.53 113.55 109.30 3b8f h SER 48 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3b8f h SER 48 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3b8f h SER 48 CO 0.01 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 176.66 3b8f n THR 49 N -3.16 0.75 -2.31 2.23 -2.24 0.49 -4.97 114.28 105.07 3b8f n THR 49 Ca -0.02 -0.88 -0.37 0.00 -2.27 0.00 0.00 64.05 60.51 3b8f n THR 49 Cb 0.25 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 3b8f n THR 49 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3b8f s GLU 50 N -1.24 3.93 0.05 -0.78 2.02 -0.96 -4.92 118.70 116.80 3b8f s GLU 50 Ca 0.43 1.77 0.02 0.00 0.02 0.00 0.00 54.97 57.22 3b8f s GLU 50 Cb 0.24 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 3b8f s GLU 50 CO 0.32 -0.40 -0.08 -0.51 0.02 0.00 0.00 175.26 174.61 3b8f s LEU 51 N -2.76 2.28 0.65 1.80 1.43 -1.26 -5.07 118.68 115.75 3b8f s LEU 51 Ca 0.60 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3b8f s LEU 51 Cb -0.29 -0.19 -0.00 0.00 0.03 0.00 0.00 46.19 45.74 3b8f s LEU 51 CO 0.35 -0.22 1.16 0.00 0.23 0.00 0.00 176.35 177.88 3b8f h MET 53 N 0.27 0.08 0.00 0.00 2.86 -1.94 -2.23 114.93 113.97 3b8f h MET 53 Ca -0.48 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3b8f h MET 53 Cb 1.27 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3b8f h MET 53 CO 0.53 0.08 0.00 0.39 1.06 0.00 0.00 176.91 178.98 3b8f n GLU 54 N -4.49 0.20 -0.04 1.72 4.71 -1.26 -3.85 120.64 117.63 3b8f n GLU 54 Ca -0.02 0.31 -0.08 0.00 -0.01 0.00 0.00 57.16 57.36 3b8f n GLU 54 Cb 0.11 -1.81 -0.02 0.00 -1.01 0.00 0.00 31.44 28.71 3b8f n GLU 54 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3b8f h THR 55 N 0.00 0.86 -0.86 2.62 2.02 -1.74 -1.61 112.91 114.21 3b8f h THR 55 Ca 0.00 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3b8f h THR 55 Cb 0.50 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3b8f h THR 55 CO 0.00 0.01 0.53 1.23 0.37 0.00 0.00 175.52 177.67 3b8f h GLY 56 N 0.07 1.28 1.45 2.16 0.00 -1.82 -1.14 103.07 105.07 3b8f h GLY 56 Ca 0.10 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 3b8f h GLY 56 CO -0.16 0.28 -0.73 0.00 0.00 0.00 0.00 176.54 175.93 3b8f h ALA 57 N 1.39 0.51 -0.56 3.60 0.00 -1.68 -1.78 119.26 120.75 3b8f h ALA 57 Ca 0.37 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3b8f h ALA 57 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3b8f h ALA 57 CO -0.16 0.73 0.36 0.82 0.00 0.00 0.00 179.25 181.00 3b8f h ILE 58 N 0.37 1.11 -0.30 0.00 2.04 -1.01 -2.15 117.51 117.58 3b8f h ILE 58 Ca -0.03 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3b8f h ILE 58 Cb 1.32 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3b8f h ILE 58 CO 0.13 0.13 0.00 -0.07 0.00 0.00 0.00 178.15 178.35 3b8f h LEU 59 N 0.72 0.42 -0.68 1.44 3.38 -0.97 -1.79 115.31 117.83 3b8f h LEU 59 Ca 0.21 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3b8f h LEU 59 Cb -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3b8f h LEU 59 CO -0.06 0.48 0.19 -0.33 0.09 0.00 0.00 178.44 178.81 3b8f h GLU 60 N 0.44 1.07 -0.75 1.13 5.08 -1.06 -0.34 114.58 120.15 3b8f h GLU 60 Ca 0.10 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3b8f h GLU 60 Cb 0.29 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3b8f h GLU 60 CO 0.01 0.94 0.48 0.00 -1.00 0.00 0.00 179.01 179.44 3b8f h ALA 61 N 1.08 1.43 -0.17 3.43 0.00 -0.70 -1.78 119.26 122.55 3b8f h ALA 61 Ca 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3b8f h ALA 61 Cb 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3b8f h ALA 61 CO -0.00 0.51 -0.07 0.45 0.00 0.00 0.00 179.25 180.14 3b8f h HIS 62 N 1.03 0.40 -0.39 0.00 3.86 -1.01 -0.86 115.15 118.18 3b8f h HIS 62 Ca 0.27 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3b8f h HIS 62 Cb -0.09 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 3b8f h HIS 62 CO 0.00 0.64 0.10 -0.22 0.86 0.00 0.00 177.93 179.32 3b8f h LYS 63 N 0.05 0.24 -0.00 2.45 3.64 -0.62 -2.28 116.57 120.04 3b8f h LYS 63 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3b8f h LYS 63 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3b8f h LYS 63 CO 0.02 0.16 -0.15 1.19 -2.27 0.00 0.00 179.45 178.40 3b8f n PHE 64 N -5.06 0.00 -3.60 1.91 3.72 -0.71 -4.96 117.46 108.76 3b8f n PHE 64 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.21 3b8f n PHE 64 Cb 0.17 -0.24 0.05 0.00 -0.94 0.00 0.00 39.48 38.52 3b8f n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3b8f n GLN 65 N -1.10 -4.06 -4.64 -1.08 7.27 -0.43 -5.01 117.38 108.32 3b8f n GLN 65 Ca 0.12 0.65 -0.31 0.00 0.07 0.00 0.00 57.00 57.54 3b8f n GLN 65 Cb 0.29 -5.18 -0.12 0.00 2.41 0.00 0.00 30.24 27.64 3b8f n GLN 65 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3b8f s LYS 66 N -5.67 2.13 -0.12 3.69 1.02 -0.60 -5.04 119.74 115.16 3b8f s LYS 66 Ca 0.15 -0.95 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 3b8f s LYS 66 Cb -0.04 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3b8f s LYS 66 CO 0.80 0.55 0.78 0.21 -0.92 0.00 0.00 175.35 176.77 3b8f s LYS 67 N -1.43 4.37 0.14 1.68 2.20 -1.26 -4.66 119.74 120.78 3b8f s LYS 67 Ca 0.15 0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 3b8f s LYS 67 Cb -0.11 -3.52 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 3b8f s LYS 67 CO 0.06 -0.15 1.27 0.08 -0.36 0.00 0.00 175.35 176.24 3b8f s VAL 68 N 1.51 3.53 -0.14 4.02 1.01 -1.26 -1.33 120.40 127.75 3b8f s VAL 68 Ca 0.39 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.62 3b8f s VAL 68 Cb -0.17 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 3b8f s VAL 68 CO 0.16 0.14 -0.05 0.35 0.00 0.00 0.00 175.10 175.71 3b8f n THR 69 N 3.18 0.85 -3.88 3.92 -2.24 0.24 -4.77 114.28 111.58 3b8f n THR 69 Ca 0.07 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 3b8f n THR 69 Cb 0.44 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 3b8f n THR 69 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3b8f s HIS 70 N -2.30 0.04 -0.01 4.78 3.76 -1.13 -1.10 115.29 119.33 3b8f s HIS 70 Ca -0.13 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 3b8f s HIS 70 Cb 0.04 -0.05 -0.00 0.00 1.11 0.00 0.00 32.58 33.68 3b8f s HIS 70 CO 0.42 -0.24 -0.06 0.45 -0.85 0.00 0.00 174.74 174.47 3b8f s SER 71 N -1.14 0.77 -0.02 1.40 0.15 0.07 -1.18 113.70 113.74 3b8f s SER 71 Ca -0.12 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 3b8f s SER 71 Cb -0.07 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3b8f s SER 71 CO 0.01 0.05 0.11 -0.51 1.20 0.00 0.00 173.24 174.10 3b8f s ILE 72 N 0.04 0.04 -0.05 6.45 2.07 -0.59 -1.77 121.20 127.39 3b8f s ILE 72 Ca -0.00 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 58.95 3b8f s ILE 72 Cb -0.05 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.30 3b8f s ILE 72 CO -0.00 -0.17 -0.08 0.00 -1.91 0.00 0.00 174.94 172.78 3b8f s LEU 74 N 0.73 2.28 -0.02 0.00 1.43 -0.38 -1.23 118.68 121.48 3b8f s LEU 74 Ca -0.12 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 3b8f s LEU 74 Cb -0.14 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 44.96 3b8f s LEU 74 CO 0.02 0.16 0.28 0.00 0.23 0.00 0.00 176.35 177.04 3b8f s ALA 75 N -1.02 -0.69 0.03 4.21 0.00 -0.52 -1.31 121.76 122.46 3b8f s ALA 75 Ca 0.11 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3b8f s ALA 75 Cb -0.10 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3b8f s ALA 75 CO 0.05 -0.24 -0.12 -0.98 0.00 0.00 0.00 175.76 174.47 3b8f s ARG 76 N -1.19 0.81 0.25 0.00 1.70 0.82 -0.30 118.95 121.03 3b8f s ARG 76 Ca -0.12 -0.69 0.11 0.00 -0.47 0.00 0.00 55.73 54.55 3b8f s ARG 76 Cb -0.05 -0.77 0.23 0.00 -0.57 0.00 0.00 34.95 33.79 3b8f s ARG 76 CO 0.03 0.19 1.53 0.93 -1.08 0.00 0.00 175.30 176.90 3b8f h GLU 77 N 4.98 0.00 -3.33 3.89 5.08 -1.85 -1.95 114.58 121.41 3b8f h GLU 77 Ca -0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 3b8f h GLU 77 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3b8f h GLU 77 CO 0.44 0.68 0.14 0.54 -1.00 0.00 0.00 179.01 179.82 3b8f s ASN 78 N -6.73 0.31 0.00 1.42 2.20 -1.25 -3.19 114.94 107.69 3b8f s ASN 78 Ca -0.00 -1.28 0.16 0.00 -0.94 0.00 0.00 52.86 50.79 3b8f s ASN 78 Cb 0.11 0.81 0.89 0.00 -2.00 0.00 0.00 41.25 41.07 3b8f s ASN 78 CO 0.77 -1.60 1.37 -1.84 -2.94 0.00 0.00 177.10 172.86 3b8f n GLU 79 N -0.55 0.42 -0.83 3.55 0.00 -1.22 -2.19 120.64 119.82 3b8f n GLU 79 Ca -0.06 0.04 0.05 0.00 0.00 0.00 0.00 57.16 57.19 3b8f n GLU 79 Cb 0.60 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.71 3b8f n GLU 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3b8f n HIS 80 N -1.08 0.10 -4.36 -1.84 8.25 -1.26 -5.02 115.22 110.02 3b8f n HIS 80 Ca 0.11 -1.34 -0.22 0.00 -0.26 0.00 0.00 57.72 56.00 3b8f n HIS 80 Cb 0.07 -0.23 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 3b8f n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3b8f s SER 81 N -3.03 2.83 0.68 0.41 0.01 -0.93 -5.08 113.70 108.59 3b8f s SER 81 Ca 0.38 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.59 3b8f s SER 81 Cb 0.37 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.43 3b8f s SER 81 CO -0.08 -0.04 1.07 -1.83 0.41 0.00 0.00 173.24 172.77 3b8f s GLU 82 N -3.04 2.85 -0.10 12.44 -1.05 -1.26 -4.78 118.70 123.76 3b8f s GLU 82 Ca 0.19 1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 55.86 3b8f s GLU 82 Cb -0.05 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.64 3b8f s GLU 82 CO 0.08 -1.18 1.29 -0.51 0.95 0.00 0.00 175.26 175.88 3b8f s LEU 83 N -5.25 4.24 -0.07 1.83 1.43 -1.26 -4.44 118.68 115.17 3b8f s LEU 83 Ca 0.62 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 3b8f s LEU 83 Cb -0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3b8f s LEU 83 CO 0.48 -0.70 0.05 -0.54 0.23 0.00 0.00 176.35 175.86 3b8f s LYS 84 N 2.93 3.07 -0.04 1.70 1.02 0.59 -4.89 119.74 124.13 3b8f s LYS 84 Ca 0.58 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 3b8f s LYS 84 Cb -0.25 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 3b8f s LYS 84 CO 0.20 0.70 1.21 0.08 -0.92 0.00 0.00 175.35 176.62 3b8f s VAL 85 N -1.00 4.20 -0.30 3.17 1.01 -1.26 -1.44 120.40 124.79 3b8f s VAL 85 Ca 0.16 1.54 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 3b8f s VAL 85 Cb -0.12 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3b8f s VAL 85 CO 0.06 0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.52 3b8f s LEU 86 N 2.06 3.89 0.36 3.92 1.43 -0.36 -4.09 118.68 125.88 3b8f s LEU 86 Ca 0.57 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 3b8f s LEU 86 Cb -0.26 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 43.91 3b8f s LEU 86 CO 0.23 -0.18 0.75 -1.20 0.23 0.00 0.00 176.35 176.19 3b8f n SER 87 N 4.91 0.06 -4.77 2.29 7.64 -1.26 -4.10 113.62 118.40 3b8f n SER 87 Ca -0.14 1.03 -0.40 0.00 1.01 0.00 0.00 58.87 60.36 3b8f n SER 87 Cb 0.49 -1.19 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 3b8f n SER 87 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3b8f s PRO 88 N -1.58 3.91 0.90 1.43 0.04 -1.26 -4.97 135.00 133.47 3b8f s PRO 88 Ca 0.62 2.51 -0.12 0.00 0.04 0.00 0.00 61.00 64.05 3b8f s PRO 88 Cb -0.66 -2.82 0.13 0.00 0.04 0.00 0.00 34.50 31.19 3b8f s PRO 88 CO 0.58 -0.67 1.13 0.00 0.04 0.00 0.00 177.00 178.08 3b8f h GLY 90 N -1.46 1.11 0.84 0.00 0.00 -1.99 -0.94 103.07 100.63 3b8f h GLY 90 Ca -0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3b8f h GLY 90 CO 0.62 0.02 0.04 -2.08 0.00 0.00 0.00 176.54 175.13 3b8f h VAL 91 N 0.56 1.17 0.00 4.60 2.07 -2.00 -1.83 116.25 120.82 3b8f h VAL 91 Ca 0.48 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3b8f h VAL 91 Cb 0.97 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3b8f h VAL 91 CO -0.22 0.15 -0.40 0.00 0.02 0.00 0.00 177.57 177.13 3b8f h GLN 93 N 0.00 0.98 -0.76 0.00 4.20 -1.01 -0.28 115.11 118.25 3b8f h GLN 93 Ca -0.00 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 3b8f h GLN 93 Cb 0.94 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 3b8f h GLN 93 CO 0.05 0.94 0.28 0.93 -0.67 0.00 0.00 178.83 180.36 3b8f h GLU 94 N 0.92 1.15 -0.25 1.46 4.39 -0.88 0.06 114.58 121.43 3b8f h GLU 94 Ca 0.18 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3b8f h GLU 94 Cb 0.46 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3b8f h GLU 94 CO 0.02 0.96 0.11 0.00 -1.16 0.00 0.00 179.01 178.93 3b8f h ARG 95 N 1.11 0.36 -0.39 2.33 3.08 -0.97 -2.93 114.38 116.97 3b8f h ARG 95 Ca 0.25 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3b8f h ARG 95 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3b8f h ARG 95 CO -0.02 0.39 0.23 -0.07 -1.07 0.00 0.00 179.97 179.44 3b8f h LEU 96 N 0.25 0.46 -2.30 3.04 3.38 -0.70 -2.27 115.31 117.18 3b8f h LEU 96 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3b8f h LEU 96 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3b8f h LEU 96 CO -0.01 0.36 0.00 -0.26 0.09 0.00 0.00 178.44 178.62 3b8f h PHE 97 N 0.54 0.00 -0.82 1.13 0.04 -0.79 -0.84 116.94 116.19 3b8f h PHE 97 Ca 0.14 0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.12 3b8f h PHE 97 Cb -0.02 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.00 3b8f h PHE 97 CO 0.00 0.00 0.12 -0.92 -0.60 0.00 0.00 178.31 176.92 3b8f h TYR 98 N 0.00 0.16 -0.00 -0.55 3.20 -1.49 -1.21 116.97 117.08 3b8f h TYR 98 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3b8f h TYR 98 Cb 0.07 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3b8f h TYR 98 CO 0.00 -0.22 -0.30 0.91 -1.64 0.00 0.00 178.16 176.91 3b8f n TRP 99 N -5.28 0.00 0.00 -3.82 8.01 -0.32 -4.86 117.44 111.16 3b8f n TRP 99 Ca 0.18 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.37 3b8f n TRP 99 Cb 0.58 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 3b8f n TRP 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3b8f n GLY 100 N 1.47 1.24 0.06 6.99 0.00 -0.46 -4.78 105.19 109.71 3b8f n GLY 100 Ca 0.07 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 43.96 3b8f n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3b8f n PRO 101 N -0.59 0.09 -0.20 1.61 -0.04 -1.26 -3.01 135.00 131.60 3b8f n PRO 101 Ca 0.00 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3b8f n PRO 101 Cb 0.00 -1.67 0.20 0.00 -0.04 0.00 0.00 33.50 32.00 3b8f n PRO 101 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3b8f n GLU 102 N -1.84 2.40 -1.69 0.54 -0.58 -1.26 -1.32 120.64 116.89 3b8f n GLU 102 Ca 0.03 -2.18 -0.44 0.00 -0.42 0.00 0.00 57.16 54.15 3b8f n GLU 102 Cb 0.22 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 3b8f n GLU 102 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3b8f n VAL 103 N 1.23 0.02 -3.17 2.62 0.31 -1.17 -4.72 118.33 113.45 3b8f n VAL 103 Ca 0.17 -0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.10 3b8f n VAL 103 Cb 0.54 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 3b8f n VAL 103 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3b8f s GLN 104 N 1.09 4.23 -0.07 5.55 -1.52 -0.26 -0.76 119.66 127.93 3b8f s GLN 104 Ca 0.78 0.56 0.05 0.00 -1.95 0.00 0.00 55.36 54.80 3b8f s GLN 104 Cb -0.61 -3.55 -0.01 0.00 -0.22 0.00 0.00 33.01 28.62 3b8f s GLN 104 CO 0.36 -0.16 -0.24 0.00 -0.25 0.00 0.00 175.29 175.00 3b8f s ALA 106 N 0.02 3.51 0.02 0.00 0.00 -0.73 -0.57 121.76 124.01 3b8f s ALA 106 Ca -0.09 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 3b8f s ALA 106 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3b8f s ALA 106 CO 0.05 -0.71 0.15 0.96 0.00 0.00 0.00 175.76 176.22 3b8f s ILE 107 N 1.83 5.12 0.24 0.00 -4.36 -0.19 -4.00 121.20 119.83 3b8f s ILE 107 Ca 0.60 -0.36 -0.31 0.00 -0.26 0.00 0.00 60.65 60.32 3b8f s ILE 107 Cb -0.30 -3.41 -0.13 0.00 1.25 0.00 0.00 42.46 39.87 3b8f s ILE 107 CO 0.26 0.26 1.57 0.41 0.24 0.00 0.00 174.94 177.69 3b8f n THR 108 N 0.78 0.59 -3.51 8.37 -1.04 -1.26 -4.62 114.28 113.60 3b8f n THR 108 Ca -0.10 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 61.59 3b8f n THR 108 Cb 0.52 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 3b8f n THR 108 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3b8f s ASN 109 N 0.67 -0.64 0.42 8.00 4.22 -1.26 -4.96 114.94 121.38 3b8f s ASN 109 Ca 0.70 0.63 0.14 0.00 -2.14 0.00 0.00 52.86 52.19 3b8f s ASN 109 Cb -0.57 0.54 1.01 0.00 1.28 0.00 0.00 41.25 43.51 3b8f s ASN 109 CO 0.43 -0.65 1.93 0.00 -2.04 0.00 0.00 177.10 176.77 3b8f h ALA 110 N 2.89 2.05 -0.00 3.54 0.00 -1.97 -1.32 119.26 124.45 3b8f h ALA 110 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3b8f h ALA 110 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3b8f h ALA 110 CO 0.39 -0.24 -0.25 1.63 0.00 0.00 0.00 179.25 180.78 3b8f n LYS 111 N -4.48 0.01 -2.58 0.00 4.01 -1.26 -4.93 118.16 108.92 3b8f n LYS 111 Ca 0.14 -0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.73 3b8f n LYS 111 Cb 0.49 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 3b8f n LYS 111 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3b8f n GLN 112 N -1.50 -2.56 -1.80 1.97 1.13 -0.50 -4.99 117.38 109.14 3b8f n GLN 112 Ca 0.06 0.94 -0.33 0.00 -1.94 0.00 0.00 57.00 55.73 3b8f n GLN 112 Cb 0.34 -5.65 0.04 0.00 0.11 0.00 0.00 30.24 25.08 3b8f n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3b8f s ASP 113 N -2.22 5.24 -0.55 1.08 1.01 -1.26 -4.85 116.67 115.11 3b8f s ASP 113 Ca 0.08 1.95 -0.22 0.00 0.71 0.00 0.00 52.55 55.07 3b8f s ASP 113 Cb -0.04 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.40 3b8f s ASP 113 CO 0.10 -1.54 0.82 -0.63 0.21 0.00 0.00 175.17 174.13 3b8f s ILE 114 N -2.40 4.58 -0.22 0.77 -1.09 -1.26 -4.83 121.20 116.76 3b8f s ILE 114 Ca 0.66 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.93 3b8f s ILE 114 Cb -0.19 -4.47 0.05 0.00 -1.58 0.00 0.00 42.46 36.26 3b8f s ILE 114 CO 0.41 -1.05 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.33 3b8f s ILE 115 N 3.41 1.85 -0.07 2.92 1.01 -1.26 -5.04 121.20 124.02 3b8f s ILE 115 Ca 0.23 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 3b8f s ILE 115 Cb -0.16 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 3b8f s ILE 115 CO 0.15 0.15 0.54 -0.36 0.00 0.00 0.00 174.94 175.41 3b8f s PHE 116 N 1.30 3.59 0.10 3.97 0.08 -1.26 -1.03 117.98 124.73 3b8f s PHE 116 Ca -0.03 1.05 0.09 0.00 0.12 0.00 0.00 56.93 58.16 3b8f s PHE 116 Cb -0.17 -2.59 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 3b8f s PHE 116 CO -0.08 0.25 -0.23 0.15 -0.10 0.00 0.00 175.22 175.21 3b8f s LYS 117 N 0.27 1.28 0.58 0.44 -0.14 0.27 -4.86 119.74 117.58 3b8f s LYS 117 Ca 0.29 -1.20 -0.18 0.00 -1.36 0.00 0.00 55.97 53.53 3b8f s LYS 117 Cb -0.17 -1.60 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 3b8f s LYS 117 CO 0.14 0.38 1.12 -1.25 -0.76 0.00 0.00 175.35 174.98 3b8f s PRO 118 N -1.84 3.18 0.33 -1.68 0.04 -1.26 -0.20 135.00 133.58 3b8f s PRO 118 Ca 0.09 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.75 3b8f s PRO 118 Cb -0.10 -1.99 0.91 0.00 0.04 0.00 0.00 34.50 33.36 3b8f s PRO 118 CO 0.04 -0.96 1.75 1.25 0.04 0.00 0.00 177.00 179.12 3b8f h LEU 119 N 0.79 0.64 -2.17 -3.56 5.85 -0.66 0.15 115.31 116.34 3b8f h LEU 119 Ca -0.49 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.36 3b8f h LEU 119 Cb 1.25 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3b8f h LEU 119 CO 0.56 0.13 0.04 0.07 -0.34 0.00 0.00 178.44 178.91 3b8f h LYS 120 N 0.57 0.00 0.03 1.25 2.10 -1.49 -0.67 116.57 118.36 3b8f h LYS 120 Ca 0.62 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 59.05 3b8f h LYS 120 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 3b8f h LYS 120 CO -0.42 0.00 -1.01 0.93 -2.00 0.00 0.00 179.45 176.95 3b8f h GLU 121 N 0.00 0.10 0.00 0.07 5.08 -0.99 -2.49 114.58 116.34 3b8f h GLU 121 Ca 0.03 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3b8f h GLU 121 Cb 0.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3b8f h GLU 121 CO -0.00 1.02 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.60 3b8f h LEU 122 N 0.04 0.00 -6.20 1.33 4.07 -1.06 -3.35 115.31 110.14 3b8f h LEU 122 Ca -0.05 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.33 3b8f h LEU 122 Cb 1.73 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 43.06 3b8f h LEU 122 CO 0.15 0.36 -0.83 0.00 -1.08 0.00 0.00 178.44 177.03 3b8f n GLN 123 N -3.55 1.56 0.02 1.13 1.13 -0.37 -4.97 117.38 112.33 3b8f n GLN 123 Ca -0.00 -3.96 0.06 0.00 -1.94 0.00 0.00 57.00 51.16 3b8f n GLN 123 Cb 0.49 -1.79 0.26 0.00 0.11 0.00 0.00 30.24 29.31 3b8f n GLN 123 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3b8f n PRO 124 N 1.32 0.03 -1.06 -1.09 -0.04 -0.94 -2.00 135.00 131.21 3b8f n PRO 124 Ca 0.26 0.36 -0.05 0.00 -0.04 0.00 0.00 63.50 64.02 3b8f n PRO 124 Cb 0.46 -1.57 0.15 0.00 -0.04 0.00 0.00 33.50 32.50 3b8f n PRO 124 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3b8f n TYR 125 N -1.63 1.04 -1.69 0.54 4.01 -1.26 -5.06 117.16 113.12 3b8f n TYR 125 Ca 0.02 -1.76 -0.42 0.00 -0.16 0.00 0.00 57.90 55.58 3b8f n TYR 125 Cb 0.12 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 3b8f n TYR 125 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3b8f n HIS 126 N -1.00 2.11 0.28 -0.72 -0.00 -0.85 -4.88 115.22 110.17 3b8f n HIS 126 Ca 0.29 0.53 0.12 0.00 0.46 0.00 0.00 57.72 59.13 3b8f n HIS 126 Cb 0.82 -2.38 0.80 0.00 -0.12 0.00 0.00 29.99 29.11 3b8f n HIS 126 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 3b8f h TRP 127 N 2.26 0.00 -0.10 1.57 5.08 -1.98 -2.45 115.95 120.33 3b8f h TRP 127 Ca -0.47 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.53 3b8f h TRP 127 Cb 1.29 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3b8f h TRP 127 CO 0.49 0.03 0.12 1.79 -1.28 0.00 0.00 178.44 179.59 3b8f h THR 128 N 0.00 0.46 -0.76 0.12 1.35 -1.96 -1.26 112.91 110.85 3b8f h THR 128 Ca -0.00 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.05 3b8f h THR 128 Cb 0.06 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.34 3b8f h THR 128 CO 0.00 0.00 0.52 -0.08 -0.25 0.00 0.00 175.52 175.72 3b8f h GLU 129 N 0.00 0.20 0.00 4.72 4.81 -1.80 -0.14 114.58 122.36 3b8f h GLU 129 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3b8f h GLU 129 Cb 0.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3b8f h GLU 129 CO -0.00 0.13 -0.04 0.00 -0.73 0.00 0.00 179.01 178.38 3b8f h ALA 130 N 1.64 1.13 -0.97 2.92 0.00 -1.46 -2.83 119.26 119.70 3b8f h ALA 130 Ca 0.37 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.73 3b8f h ALA 130 Cb 1.16 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 3b8f h ALA 130 CO -0.07 0.04 -0.84 0.66 0.00 0.00 0.00 179.25 179.04 3b8f n TYR 131 N -3.32 2.73 0.08 0.00 4.01 -0.08 -4.95 117.16 115.63 3b8f n TYR 131 Ca -0.02 -2.52 -0.12 0.00 -0.16 0.00 0.00 57.90 55.08 3b8f n TYR 131 Cb 0.17 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 3b8f n TYR 131 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3b8f h HIS 132 N 2.39 -0.89 -0.43 -0.72 -0.00 -1.33 0.10 115.15 114.27 3b8f h HIS 132 Ca 0.28 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3b8f h HIS 132 Cb 1.30 0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 29.08 3b8f h HIS 132 CO 0.79 -0.42 0.22 -0.44 -0.00 0.00 0.00 177.93 178.08 3b8f h ASP 133 N -0.50 0.55 -0.53 3.26 3.32 -1.90 -0.21 116.42 120.40 3b8f h ASP 133 Ca 0.05 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3b8f h ASP 133 Cb 0.57 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3b8f h ASP 133 CO -0.24 0.50 0.31 -0.33 -1.72 0.00 0.00 179.24 177.77 3b8f h GLU 134 N 0.55 0.60 -0.29 3.56 3.07 -1.90 -2.70 114.58 117.47 3b8f h GLU 134 Ca 0.15 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.80 3b8f h GLU 134 Cb 0.09 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3b8f h GLU 134 CO -0.02 0.40 -0.49 0.52 -1.40 0.00 0.00 179.01 178.02 3b8f h MET 135 N 0.62 0.85 -0.84 2.33 2.86 -0.33 -2.23 114.93 118.19 3b8f h MET 135 Ca 0.22 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3b8f h MET 135 Cb 0.04 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3b8f h MET 135 CO -0.10 1.16 0.39 -0.39 1.06 0.00 0.00 176.91 179.02 3b8f h VAL 136 N 0.63 1.26 -0.37 -2.22 -1.51 -1.01 0.35 116.25 113.39 3b8f h VAL 136 Ca 0.02 -0.76 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 3b8f h VAL 136 Cb 1.09 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 3b8f h VAL 136 CO 0.11 0.32 0.20 0.50 -1.23 0.00 0.00 177.57 177.48 3b8f h LYS 137 N 1.21 0.51 -0.28 5.19 3.64 -1.47 -1.76 116.57 123.61 3b8f h LYS 137 Ca 0.29 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3b8f h LYS 137 Cb 0.14 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3b8f h LYS 137 CO -0.03 0.41 0.13 1.49 -2.27 0.00 0.00 179.45 179.18 3b8f h GLU 138 N 0.47 0.27 -0.09 1.90 4.57 -0.88 -3.00 114.58 117.81 3b8f h GLU 138 Ca 0.13 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3b8f h GLU 138 Cb 0.05 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3b8f h GLU 138 CO -0.02 0.18 -0.30 -1.49 -1.18 0.00 0.00 179.01 176.20 3b8f h TRP 139 N 0.28 0.19 0.00 0.92 6.55 -0.78 -1.81 115.95 121.30 3b8f h TRP 139 Ca 0.12 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.92 3b8f h TRP 139 Cb 0.05 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3b8f h TRP 139 CO -0.10 0.46 0.00 -1.13 -1.05 0.00 0.00 178.44 176.62 3b8f n SER 140 N -4.13 0.56 -0.18 -3.49 3.41 -0.68 -2.24 113.62 106.88 3b8f n SER 140 Ca -0.01 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 3b8f n SER 140 Cb 0.39 -0.79 0.44 0.00 -0.26 0.00 0.00 64.21 63.99 3b8f n SER 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3b8f n THR 141 N -2.18 0.00 1.69 6.66 -1.04 -0.68 -5.11 114.28 113.62 3b8f n THR 141 Ca 0.01 -0.09 0.15 0.00 -2.04 0.00 0.00 64.05 62.07 3b8f n THR 141 Cb 0.13 0.21 0.69 0.00 -1.82 0.00 0.00 70.33 69.54 3b8f n THR 141 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97