#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8f s ASN 2 N 0.00 1.32 0.25 -1.43 0.01 -1.26 -5.07 114.94 108.76 3b8f s ASN 2 Ca 0.00 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.01 3b8f s ASN 2 Cb 0.00 0.09 0.44 0.00 0.41 0.00 0.00 41.25 42.19 3b8f s ASN 2 CO 0.00 -0.50 1.78 0.40 -1.51 0.00 0.00 177.10 177.27 3b8f h ILE 3 N 2.77 0.82 0.02 0.60 2.04 -2.05 -1.98 117.51 119.73 3b8f h ILE 3 Ca -0.36 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3b8f h ILE 3 Cb 1.19 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3b8f h ILE 3 CO 0.63 0.13 -0.18 -0.33 0.00 0.00 0.00 178.15 178.40 3b8f h GLU 4 N 0.69 -0.30 -0.03 2.37 3.07 -1.97 -1.33 114.58 117.09 3b8f h GLU 4 Ca 0.42 0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.08 3b8f h GLU 4 Cb 0.49 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3b8f h GLU 4 CO -0.30 -0.20 -0.88 0.37 -1.40 0.00 0.00 179.01 176.60 3b8f h GLN 5 N -0.31 0.43 0.14 2.33 5.75 -1.89 -2.15 115.11 119.40 3b8f h GLN 5 Ca 0.05 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.13 3b8f h GLN 5 Cb 0.37 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3b8f h GLN 5 CO -0.16 1.08 -0.11 0.37 -2.65 0.00 0.00 178.83 177.36 3b8f h GLN 6 N 0.26 -0.25 -0.59 1.69 4.15 -1.30 0.53 115.11 119.59 3b8f h GLN 6 Ca -0.07 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.43 3b8f h GLN 6 Cb 1.50 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 29.19 3b8f h GLN 6 CO 0.15 -0.16 0.31 -0.07 -1.93 0.00 0.00 178.83 177.12 3b8f h LEU 7 N -0.26 0.44 -0.11 -2.39 3.38 -1.16 0.55 115.31 115.76 3b8f h LEU 7 Ca -0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3b8f h LEU 7 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3b8f h LEU 7 CO -0.01 0.29 -0.01 0.22 0.09 0.00 0.00 178.44 179.01 3b8f h TYR 8 N 0.57 -0.03 -0.84 1.13 3.20 -1.23 -2.55 116.97 117.22 3b8f h TYR 8 Ca 0.27 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3b8f h TYR 8 Cb 0.18 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3b8f h TYR 8 CO -0.10 -0.03 0.46 -0.44 -1.64 0.00 0.00 178.16 176.42 3b8f h ASP 9 N 0.02 1.05 -0.25 -2.11 3.32 -0.42 -0.84 116.42 117.19 3b8f h ASP 9 Ca 0.05 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 3b8f h ASP 9 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3b8f h ASP 9 CO -0.10 0.84 -0.24 -0.37 -1.72 0.00 0.00 179.24 177.65 3b8f h VAL 10 N 1.17 1.27 -0.15 -1.35 -1.51 -0.81 -1.89 116.25 112.98 3b8f h VAL 10 Ca 0.30 -1.35 -0.05 0.00 -1.23 0.00 0.00 66.70 64.37 3b8f h VAL 10 Cb 0.02 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 3b8f h VAL 10 CO -0.05 0.45 -0.11 0.58 -1.23 0.00 0.00 177.57 177.21 3b8f h VAL 11 N 0.64 1.33 -0.44 7.19 2.07 -1.16 -2.38 116.25 123.50 3b8f h VAL 11 Ca 0.09 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3b8f h VAL 11 Cb 0.74 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 3b8f h VAL 11 CO 0.06 0.36 -0.00 0.50 0.02 0.00 0.00 177.57 178.50 3b8f h LYS 12 N -0.01 0.11 -0.46 1.57 3.64 -1.13 -0.35 116.57 119.94 3b8f h LYS 12 Ca 0.03 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3b8f h LYS 12 Cb 0.61 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 3b8f h LYS 12 CO 0.03 0.07 0.21 0.37 -2.27 0.00 0.00 179.45 177.86 3b8f h GLN 13 N 0.11 0.40 -0.64 1.90 4.15 -1.32 -0.73 115.11 118.97 3b8f h GLN 13 Ca 0.22 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3b8f h GLN 13 Cb 0.31 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3b8f h GLN 13 CO -0.36 0.27 0.33 1.25 -1.93 0.00 0.00 178.83 178.38 3b8f h LEU 14 N 0.41 0.83 -0.64 -2.39 5.85 -0.90 -2.21 115.31 116.26 3b8f h LEU 14 Ca 0.21 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3b8f h LEU 14 Cb 0.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3b8f h LEU 14 CO -0.17 0.71 0.19 0.40 -0.34 0.00 0.00 178.44 179.24 3b8f h ILE 15 N 0.88 1.25 -0.26 4.05 2.04 -0.58 0.14 117.51 125.04 3b8f h ILE 15 Ca 0.22 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 3b8f h ILE 15 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3b8f h ILE 15 CO -0.03 0.33 -0.12 -0.33 0.00 0.00 0.00 178.15 178.00 3b8f h GLU 16 N 0.93 0.43 -0.01 2.37 5.08 -1.00 0.20 114.58 122.59 3b8f h GLU 16 Ca 0.21 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3b8f h GLU 16 Cb 0.30 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3b8f h GLU 16 CO -0.01 0.55 -0.33 0.37 -1.00 0.00 0.00 179.01 178.60 3b8f h GLN 17 N 0.40 0.23 0.00 2.33 4.15 -1.07 -3.34 115.11 117.81 3b8f h GLN 17 Ca 0.08 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 3b8f h GLN 17 Cb 0.45 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3b8f h GLN 17 CO 0.03 0.96 -1.32 -2.13 -1.93 0.00 0.00 178.83 174.44 3b8f n ARG 18 N -4.44 0.62 -3.22 1.69 3.00 0.47 -4.40 116.66 110.38 3b8f n ARG 18 Ca -0.10 0.13 -0.24 0.00 -0.00 0.00 0.00 57.85 57.65 3b8f n ARG 18 Cb 0.54 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.15 3b8f n ARG 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3b8f n TYR 19 N -2.73 0.63 0.25 -0.14 4.01 0.70 -4.94 117.16 114.93 3b8f n TYR 19 Ca -0.06 -3.72 0.11 0.00 -0.16 0.00 0.00 57.90 54.07 3b8f n TYR 19 Cb 0.70 -0.40 0.66 0.00 -0.31 0.00 0.00 39.34 39.98 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 3.84 0.00 -5.31 -0.72 0.13 -1.71 -3.43 132.00 124.80 3b8f h PRO 20 Ca 0.10 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.82 3b8f h PRO 20 Cb 0.84 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.75 3b8f h PRO 20 CO 0.55 0.15 -0.78 -0.80 -0.23 0.00 0.00 178.00 176.89 3b8f s ASN 21 N -6.25 1.64 0.57 1.44 -0.87 -1.26 -4.68 114.94 105.53 3b8f s ASN 21 Ca -0.02 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 3b8f s ASN 21 Cb 0.13 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.30 3b8f s ASN 21 CO 0.61 -0.06 0.00 0.47 -2.57 0.00 0.00 177.10 175.55 3b8f n ASP 22 N 1.42 -0.66 -4.74 -1.22 8.00 -1.26 -4.78 116.55 113.31 3b8f n ASP 22 Ca -0.21 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 3b8f n ASP 22 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 2.80 -3.86 1.24 -0.00 -1.16 -3.55 117.44 112.92 3b8f n TRP 23 Ca 0.00 0.32 -0.12 0.00 -0.00 0.00 0.00 57.50 57.70 3b8f n TRP 23 Cb 0.00 -2.56 -0.12 0.00 -0.00 0.00 0.00 31.31 28.62 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 0.31 -0.02 0.08 5.87 0.00 -0.91 -4.91 107.32 107.74 3b8f s GLY 24 Ca 0.62 0.12 -0.26 0.00 0.00 0.00 0.00 44.72 45.20 3b8f s GLY 24 CO 0.52 0.07 0.63 -0.32 0.00 0.00 0.00 173.10 174.01 3b8f s GLY 25 N -0.29 -0.60 0.28 0.20 0.00 -1.26 -0.02 107.32 105.63 3b8f s GLY 25 Ca -0.03 0.80 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 3b8f s GLY 25 CO 0.00 0.46 0.83 0.00 0.00 0.00 0.00 173.10 174.39 3b8f s ALA 26 N -2.79 -1.18 0.07 3.20 0.00 -0.90 -4.68 121.76 115.49 3b8f s ALA 26 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3b8f s ALA 26 Cb -0.01 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3b8f s ALA 26 CO -0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 175.76 174.64 3b8f s ALA 27 N -2.99 0.73 0.03 0.00 0.00 -0.30 -1.93 121.76 117.30 3b8f s ALA 27 Ca 0.14 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3b8f s ALA 27 Cb -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3b8f s ALA 27 CO 0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 175.76 175.45 3b8f s ALA 28 N -3.78 0.57 -0.08 0.00 0.00 -0.38 -1.38 121.76 116.71 3b8f s ALA 28 Ca 0.09 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3b8f s ALA 28 Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3b8f s ALA 28 CO -0.08 0.03 -0.16 0.42 0.00 0.00 0.00 175.76 175.97 3b8f s ILE 29 N -1.02 1.46 -0.11 0.00 -1.09 -0.21 -1.37 121.20 118.86 3b8f s ILE 29 Ca -0.06 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 57.64 3b8f s ILE 29 Cb -0.08 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 3b8f s ILE 29 CO 0.00 0.43 0.09 -0.60 -1.23 0.00 0.00 174.94 173.63 3b8f s ARG 30 N 0.57 3.28 0.46 2.79 3.52 -0.05 -0.81 118.95 128.71 3b8f s ARG 30 Ca -0.16 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 3b8f s ARG 30 Cb -0.16 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3b8f s ARG 30 CO 0.05 0.74 0.26 0.14 -0.81 0.00 0.00 175.30 175.68 3b8f s VAL 31 N -0.95 2.05 0.40 7.11 -7.23 -0.63 -0.29 120.40 120.86 3b8f s VAL 31 Ca 0.14 -1.62 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 3b8f s VAL 31 Cb -0.12 -2.66 0.30 0.00 0.56 0.00 0.00 36.38 34.46 3b8f s VAL 31 CO 0.03 0.00 1.99 -0.33 -0.31 0.00 0.00 175.10 176.48 3b8f h GLU 32 N 1.16 0.56 -0.02 4.82 5.08 -1.52 -0.53 114.58 124.14 3b8f h GLU 32 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3b8f h GLU 32 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3b8f h GLU 32 CO 0.65 0.37 0.00 -0.40 -1.00 0.00 0.00 179.01 178.63 3b8f n ASP 33 N -4.48 0.53 0.00 1.42 5.68 -1.26 -4.89 116.55 113.56 3b8f n ASP 33 Ca 0.09 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 3b8f n ASP 33 Cb 0.25 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3b8f n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b8f n GLY 34 N 1.03 0.43 3.73 6.12 0.00 -0.20 -5.05 105.19 111.25 3b8f n GLY 34 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.28 -4.90 2.61 -1.04 -1.26 -4.78 114.28 105.19 3b8f n THR 35 Ca 0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.19 3b8f n THR 35 Cb 0.00 -1.75 -0.16 0.00 -1.82 0.00 0.00 70.33 66.60 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 -1.15 2.25 0.03 12.58 1.01 -1.26 -1.60 121.20 133.05 3b8f s ILE 36 Ca 0.57 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3b8f s ILE 36 Cb -0.50 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3b8f s ILE 36 CO 0.61 0.55 0.03 -0.31 0.00 0.00 0.00 174.94 175.82 3b8f s TYR 37 N 0.57 3.13 0.09 3.97 2.02 0.01 -4.96 117.35 122.17 3b8f s TYR 37 Ca -0.12 0.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 3b8f s TYR 37 Cb -0.17 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3b8f s TYR 37 CO 0.04 0.49 -0.20 0.95 -1.57 0.00 0.00 175.55 175.27 3b8f s THR 38 N -1.19 1.59 0.15 -0.71 -4.23 -1.26 -1.05 115.64 108.94 3b8f s THR 38 Ca 0.23 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 3b8f s THR 38 Cb -0.12 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.28 3b8f s THR 38 CO 0.14 -0.07 0.32 -0.94 -0.54 0.00 0.00 174.62 173.54 3b8f s SER 39 N -1.80 -0.02 0.16 3.99 1.04 -0.48 -4.47 113.70 112.12 3b8f s SER 39 Ca 0.05 -0.73 0.06 0.00 0.48 0.00 0.00 55.95 55.81 3b8f s SER 39 Cb -0.10 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3b8f s SER 39 CO 0.04 -0.89 -0.13 0.68 0.98 0.00 0.00 173.24 173.92 3b8f s VAL 40 N -3.92 1.39 0.40 5.02 -7.23 -1.25 -1.15 120.40 113.65 3b8f s VAL 40 Ca 0.13 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 3b8f s VAL 40 Cb 0.03 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 3b8f s VAL 40 CO -0.03 -0.60 1.09 0.00 -0.31 0.00 0.00 175.10 175.25 3b8f s ALA 41 N -2.85 3.11 0.38 1.32 0.00 -1.26 -4.72 121.76 117.74 3b8f s ALA 41 Ca 0.16 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 3b8f s ALA 41 Cb -0.01 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3b8f s ALA 41 CO 0.03 -0.32 1.21 -1.25 0.00 0.00 0.00 175.76 175.44 3b8f s PRO 42 N -2.41 4.14 0.42 0.00 0.04 -1.26 -5.02 135.00 130.92 3b8f s PRO 42 Ca 0.57 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 3b8f s PRO 42 Cb -0.25 -2.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 3b8f s PRO 42 CO 0.31 -0.28 1.23 -0.51 0.04 0.00 0.00 177.00 177.79 3b8f s ASP 43 N -0.93 6.28 0.06 6.66 1.01 -1.26 -4.82 116.67 123.67 3b8f s ASP 43 Ca 0.54 2.48 0.01 0.00 0.71 0.00 0.00 52.55 56.29 3b8f s ASP 43 Cb -0.34 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 40.94 3b8f s ASP 43 CO 0.43 -0.85 -0.05 0.68 0.21 0.00 0.00 175.17 175.59 3b8f s VAL 44 N -1.38 0.41 -0.02 -1.27 -7.23 -1.26 -5.02 120.40 104.63 3b8f s VAL 44 Ca 0.59 -1.54 0.11 0.00 -1.81 0.00 0.00 61.98 59.33 3b8f s VAL 44 Cb -0.34 -1.16 -0.16 0.00 0.56 0.00 0.00 36.38 35.28 3b8f s VAL 44 CO 0.42 -0.75 0.22 2.30 -0.31 0.00 0.00 175.10 176.98 3b8f n ILE 45 N 0.60 0.05 -3.82 -0.62 -5.35 -1.26 -4.93 119.36 104.03 3b8f n ILE 45 Ca -0.17 -0.26 -0.36 0.00 -0.27 0.00 0.00 62.75 61.68 3b8f n ILE 45 Cb 0.59 0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.53 3b8f n ILE 45 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3b8f s ASN 46 N -3.32 5.11 0.40 7.28 3.84 -1.26 -5.00 114.94 121.99 3b8f s ASN 46 Ca -0.04 -1.17 0.14 0.00 0.21 0.00 0.00 52.86 52.00 3b8f s ASN 46 Cb 0.07 -1.80 0.98 0.00 -0.55 0.00 0.00 41.25 39.95 3b8f s ASN 46 CO 0.45 -0.29 1.88 0.00 -2.79 0.00 0.00 177.10 176.34 3b8f h ALA 47 N 8.12 2.04 0.00 1.71 0.00 -2.01 0.72 119.26 129.85 3b8f h ALA 47 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3b8f h ALA 47 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3b8f h ALA 47 CO 0.57 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3b8f n SER 48 N -4.53 0.00 -1.11 0.00 3.41 -1.26 -2.34 113.62 107.80 3b8f n SER 48 Ca 0.17 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 3b8f n SER 48 Cb 0.57 -0.19 0.19 0.00 -0.26 0.00 0.00 64.21 64.52 3b8f n SER 48 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3b8f n THR 49 N -1.19 0.43 -2.24 6.66 -2.24 0.25 -4.99 114.28 110.95 3b8f n THR 49 Ca 0.07 -0.71 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 3b8f n THR 49 Cb 0.08 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3b8f n THR 49 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3b8f s GLU 50 N -1.54 3.34 0.05 -0.78 2.56 -0.99 -4.93 118.70 116.41 3b8f s GLU 50 Ca 0.36 1.60 0.02 0.00 0.00 0.00 0.00 54.97 56.95 3b8f s GLU 50 Cb 0.22 -2.00 -0.03 0.00 2.00 0.00 0.00 34.13 34.32 3b8f s GLU 50 CO 0.31 -0.86 -0.07 -0.51 -0.56 0.00 0.00 175.26 173.57 3b8f s LEU 51 N -3.85 2.29 0.60 2.70 1.43 -1.26 -5.06 118.68 115.53 3b8f s LEU 51 Ca 0.72 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 3b8f s LEU 51 Cb -0.24 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 3b8f s LEU 51 CO 0.27 -0.26 1.17 0.00 0.23 0.00 0.00 176.35 177.76 3b8f h MET 53 N 0.80 0.00 0.00 0.00 0.00 -1.94 -1.44 114.93 112.35 3b8f h MET 53 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.20 3b8f h MET 53 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.88 3b8f h MET 53 CO 0.55 0.19 0.00 0.39 0.00 0.00 0.00 176.91 178.04 3b8f n GLU 54 N -4.13 0.22 -0.26 1.72 4.71 -1.26 -3.85 120.64 117.80 3b8f n GLU 54 Ca -0.02 0.33 0.04 0.00 -0.01 0.00 0.00 57.16 57.50 3b8f n GLU 54 Cb 0.26 -1.84 0.17 0.00 -1.01 0.00 0.00 31.44 29.02 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 0.76 -0.66 2.62 2.02 -1.60 -1.94 112.91 114.11 3b8f h THR 55 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3b8f h THR 55 Cb 0.51 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3b8f h THR 55 CO 0.00 0.10 0.16 1.23 0.37 0.00 0.00 175.52 177.38 3b8f h GLY 56 N 0.55 1.13 1.12 2.16 0.00 -1.82 -1.14 103.07 105.07 3b8f h GLY 56 Ca 0.39 -0.70 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 3b8f h GLY 56 CO -0.33 0.65 -0.58 0.00 0.00 0.00 0.00 176.54 176.29 3b8f h ALA 57 N 1.06 0.40 -0.52 3.60 0.00 -1.70 -1.71 119.26 120.39 3b8f h ALA 57 Ca 0.21 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3b8f h ALA 57 Cb 0.36 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3b8f h ALA 57 CO 0.00 0.64 0.24 0.82 0.00 0.00 0.00 179.25 180.95 3b8f h ILE 58 N 0.59 0.91 -0.21 0.00 2.04 -1.18 -2.19 117.51 117.46 3b8f h ILE 58 Ca -0.00 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 3b8f h ILE 58 Cb 1.20 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3b8f h ILE 58 CO 0.13 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 178.15 3b8f h LEU 59 N 0.46 0.33 -0.63 1.44 3.38 -0.95 -2.18 115.31 117.17 3b8f h LEU 59 Ca 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3b8f h LEU 59 Cb 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3b8f h LEU 59 CO -0.19 0.50 0.33 -0.08 0.09 0.00 0.00 178.44 179.08 3b8f h GLU 60 N 0.33 0.90 -0.92 1.13 4.81 -0.87 -0.26 114.58 119.69 3b8f h GLU 60 Ca 0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3b8f h GLU 60 Cb 0.44 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3b8f h GLU 60 CO 0.03 0.70 0.58 0.00 -0.73 0.00 0.00 179.01 179.59 3b8f h ALA 61 N 1.15 1.29 -0.55 2.92 0.00 -0.86 -0.96 119.26 122.25 3b8f h ALA 61 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3b8f h ALA 61 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3b8f h ALA 61 CO -0.03 0.63 0.09 0.45 0.00 0.00 0.00 179.25 180.38 3b8f h HIS 62 N 1.26 0.98 -0.20 0.00 3.86 -1.13 0.61 115.15 120.52 3b8f h HIS 62 Ca 0.33 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3b8f h HIS 62 Cb -0.10 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 3b8f h HIS 62 CO 0.00 0.86 0.10 -0.22 0.86 0.00 0.00 177.93 179.54 3b8f h LYS 63 N 0.81 0.29 -0.00 2.45 3.64 -0.33 -2.80 116.57 120.62 3b8f h LYS 63 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3b8f h LYS 63 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3b8f h LYS 63 CO 0.01 0.30 -0.10 1.19 -2.27 0.00 0.00 179.45 178.59 3b8f n PHE 64 N -4.87 0.00 -3.57 1.91 3.72 -0.43 -4.95 117.46 109.26 3b8f n PHE 64 Ca -0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.16 3b8f n PHE 64 Cb 0.09 -0.16 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 -0.89 -4.66 -4.33 -1.08 7.27 0.13 -5.02 117.38 108.81 3b8f n GLN 65 Ca 0.15 0.69 -0.29 0.00 0.07 0.00 0.00 57.00 57.63 3b8f n GLN 65 Cb 0.27 -5.34 -0.12 0.00 2.41 0.00 0.00 30.24 27.47 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 -5.62 1.68 -0.05 3.69 1.02 -0.74 -5.04 119.74 114.68 3b8f s LYS 66 Ca 0.10 -1.24 -0.20 0.00 0.02 0.00 0.00 55.97 54.65 3b8f s LYS 66 Cb -0.02 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.19 3b8f s LYS 66 CO 0.79 0.47 0.58 0.21 -0.92 0.00 0.00 175.35 176.47 3b8f s LYS 67 N -2.16 4.34 0.10 1.68 2.20 -1.26 -4.64 119.74 119.99 3b8f s LYS 67 Ca 0.17 0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 56.15 3b8f s LYS 67 Cb -0.10 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 3b8f s LYS 67 CO 0.09 0.25 1.02 0.08 -0.36 0.00 0.00 175.35 176.43 3b8f s VAL 68 N 0.24 4.39 -0.08 4.02 1.01 -1.26 -1.32 120.40 127.40 3b8f s VAL 68 Ca 0.31 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.27 3b8f s VAL 68 Cb -0.17 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 3b8f s VAL 68 CO 0.15 0.26 0.02 0.35 0.00 0.00 0.00 175.10 175.89 3b8f n THR 69 N 3.01 0.53 -3.80 3.92 -2.24 0.60 -4.76 114.28 111.54 3b8f n THR 69 Ca 0.04 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 3b8f n THR 69 Cb 0.49 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.19 -0.15 -0.01 4.78 3.76 -1.11 -1.29 115.29 119.08 3b8f s HIS 70 Ca -0.04 0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 3b8f s HIS 70 Cb 0.02 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.77 3b8f s HIS 70 CO 0.31 -0.27 -0.06 0.45 -0.85 0.00 0.00 174.74 174.33 3b8f s SER 71 N -0.82 0.78 -0.00 1.40 0.15 0.04 -0.87 113.70 114.37 3b8f s SER 71 Ca -0.09 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 3b8f s SER 71 Cb -0.05 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.09 3b8f s SER 71 CO 0.02 0.05 0.04 -0.51 1.20 0.00 0.00 173.24 174.04 3b8f s ILE 72 N 0.11 0.06 -0.02 6.45 2.07 -0.47 -1.24 121.20 128.16 3b8f s ILE 72 Ca -0.01 -0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 58.77 3b8f s ILE 72 Cb -0.05 -0.22 0.03 0.00 0.13 0.00 0.00 42.46 42.34 3b8f s ILE 72 CO -0.00 -0.25 0.03 0.00 -1.91 0.00 0.00 174.94 172.81 3b8f s LEU 74 N 0.95 2.35 -0.02 0.00 1.43 -0.81 -0.77 118.68 121.81 3b8f s LEU 74 Ca -0.08 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.10 3b8f s LEU 74 Cb -0.11 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.13 3b8f s LEU 74 CO -0.03 0.08 0.34 0.00 0.23 0.00 0.00 176.35 176.97 3b8f s ALA 75 N -1.37 -0.86 0.03 4.21 0.00 -0.55 -2.11 121.76 121.10 3b8f s ALA 75 Ca 0.12 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3b8f s ALA 75 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3b8f s ALA 75 CO 0.06 -0.27 -0.14 -0.98 0.00 0.00 0.00 175.76 174.44 3b8f s ARG 76 N -1.26 0.95 0.31 0.00 1.70 0.97 -0.71 118.95 120.91 3b8f s ARG 76 Ca -0.13 -0.69 0.07 0.00 -0.47 0.00 0.00 55.73 54.50 3b8f s ARG 76 Cb -0.05 -0.95 0.52 0.00 -0.57 0.00 0.00 34.95 33.90 3b8f s ARG 76 CO 0.05 0.24 1.75 0.93 -1.08 0.00 0.00 175.30 177.19 3b8f h GLU 77 N 5.12 0.28 -2.93 3.89 5.08 -1.85 -2.43 114.58 121.74 3b8f h GLU 77 Ca -0.37 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3b8f h GLU 77 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3b8f h GLU 77 CO 0.45 0.58 0.31 0.54 -1.00 0.00 0.00 179.01 179.89 3b8f s ASN 78 N -6.87 -0.03 0.14 1.42 2.20 -1.25 -2.98 114.94 107.56 3b8f s ASN 78 Ca -0.05 -1.00 0.21 0.00 -0.94 0.00 0.00 52.86 51.07 3b8f s ASN 78 Cb 0.14 0.79 0.85 0.00 -2.00 0.00 0.00 41.25 41.02 3b8f s ASN 78 CO 0.77 -1.55 1.64 -1.84 -2.94 0.00 0.00 177.10 173.18 3b8f n GLU 79 N -0.54 0.11 -0.28 3.55 0.00 -1.23 -1.61 120.64 120.63 3b8f n GLU 79 Ca -0.07 0.31 0.09 0.00 0.00 0.00 0.00 57.16 57.49 3b8f n GLU 79 Cb 0.60 -1.70 0.25 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.90 0.75 -4.14 -1.84 8.25 -1.26 -5.00 115.22 110.07 3b8f n HIS 80 Ca 0.03 -0.48 -0.22 0.00 -0.26 0.00 0.00 57.72 56.79 3b8f n HIS 80 Cb 0.23 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.03 5.06 0.36 0.41 0.01 -0.64 -5.10 113.70 112.78 3b8f s SER 81 Ca 0.38 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 3b8f s SER 81 Cb 0.20 -1.09 -0.10 0.00 0.21 0.00 0.00 66.02 65.25 3b8f s SER 81 CO 0.27 -0.09 1.27 -0.70 0.41 0.00 0.00 173.24 174.40 3b8f s GLU 82 N -3.80 4.23 -0.00 12.44 2.12 -1.26 -4.80 118.70 127.62 3b8f s GLU 82 Ca 0.34 2.12 -0.30 0.00 0.36 0.00 0.00 54.97 57.48 3b8f s GLU 82 Cb -0.06 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 3b8f s GLU 82 CO 0.23 -0.25 1.33 -0.51 -0.54 0.00 0.00 175.26 175.52 3b8f s LEU 83 N -2.03 4.31 -0.11 2.70 1.43 -1.26 -4.47 118.68 119.26 3b8f s LEU 83 Ca 0.52 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 3b8f s LEU 83 Cb -0.37 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3b8f s LEU 83 CO 0.49 -0.66 -0.02 -0.54 0.23 0.00 0.00 176.35 175.85 3b8f s LYS 84 N 2.18 3.21 0.01 1.70 1.02 0.11 -4.90 119.74 123.07 3b8f s LYS 84 Ca 0.61 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.85 3b8f s LYS 84 Cb -0.30 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3b8f s LYS 84 CO 0.26 0.54 1.33 0.08 -0.92 0.00 0.00 175.35 176.63 3b8f s VAL 85 N -0.44 3.82 -0.26 3.17 1.01 -1.26 -1.48 120.40 124.95 3b8f s VAL 85 Ca 0.08 1.23 -0.04 0.00 0.00 0.00 0.00 61.98 63.25 3b8f s VAL 85 Cb -0.12 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3b8f s VAL 85 CO 0.02 0.03 -0.01 -0.76 0.00 0.00 0.00 175.10 174.38 3b8f s LEU 86 N 1.98 3.33 0.41 3.92 1.43 0.05 -4.09 118.68 125.70 3b8f s LEU 86 Ca 0.61 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 3b8f s LEU 86 Cb -0.30 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.05 3b8f s LEU 86 CO 0.26 -0.12 0.76 -1.20 0.23 0.00 0.00 176.35 176.28 3b8f n SER 87 N 4.76 0.10 -4.72 2.29 7.64 -1.25 -4.12 113.62 118.31 3b8f n SER 87 Ca -0.16 0.98 -0.42 0.00 1.01 0.00 0.00 58.87 60.28 3b8f n SER 87 Cb 0.48 -1.22 -0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3b8f n SER 87 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3b8f n PRO 88 N 0.40 2.27 -1.38 1.43 -0.04 -1.26 -4.95 135.00 131.46 3b8f n PRO 88 Ca 0.11 0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 64.07 3b8f n PRO 88 Cb 0.39 -2.45 0.17 0.00 -0.04 0.00 0.00 33.50 31.57 3b8f n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b8f h GLY 90 N -1.86 0.00 0.76 0.00 0.00 -1.99 -0.45 103.07 99.53 3b8f h GLY 90 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3b8f h GLY 90 CO 0.53 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.97 3b8f h VAL 91 N 0.00 1.27 0.00 4.60 2.07 -2.00 -2.31 116.25 119.87 3b8f h VAL 91 Ca -0.00 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 3b8f h VAL 91 Cb 0.32 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3b8f h VAL 91 CO 0.02 0.25 -0.48 0.00 0.02 0.00 0.00 177.57 177.39 3b8f h GLN 93 N 0.00 0.41 -0.98 0.00 4.20 -1.05 0.42 115.11 118.11 3b8f h GLN 93 Ca -0.00 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3b8f h GLN 93 Cb 0.98 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 3b8f h GLN 93 CO 0.06 0.27 0.65 0.93 -0.67 0.00 0.00 178.83 180.07 3b8f h GLU 94 N 0.42 1.23 -0.07 1.46 4.39 -1.05 -1.05 114.58 119.91 3b8f h GLU 94 Ca 0.19 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3b8f h GLU 94 Cb 0.11 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3b8f h GLU 94 CO -0.14 0.81 0.02 0.00 -1.16 0.00 0.00 179.01 178.54 3b8f h ARG 95 N 1.27 0.10 -0.64 2.33 3.08 -1.17 -2.97 114.38 116.37 3b8f h ARG 95 Ca 0.38 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.51 3b8f h ARG 95 Cb -0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3b8f h ARG 95 CO -0.11 0.26 0.43 -0.07 -1.07 0.00 0.00 179.97 179.41 3b8f h LEU 96 N -0.08 0.45 -0.67 3.04 3.38 -0.58 -2.48 115.31 118.37 3b8f h LEU 96 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b8f h LEU 96 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3b8f h LEU 96 CO -0.00 0.27 0.00 0.49 0.09 0.00 0.00 178.44 179.29 3b8f n PHE 97 N -4.48 0.51 -0.34 1.13 3.72 -0.43 -1.31 117.46 116.26 3b8f n PHE 97 Ca 0.10 0.23 0.13 0.00 -0.05 0.00 0.00 57.45 57.86 3b8f n PHE 97 Cb 0.34 -0.86 0.32 0.00 -0.94 0.00 0.00 39.48 38.34 3b8f n PHE 97 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3b8f h TYR 98 N 0.00 0.96 -0.03 1.38 3.20 -1.51 -0.97 116.97 120.00 3b8f h TYR 98 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3b8f h TYR 98 Cb 0.18 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3b8f h TYR 98 CO 0.00 0.15 0.00 0.91 -1.64 0.00 0.00 178.16 177.58 3b8f n TRP 99 N -4.84 0.03 0.00 -3.82 8.01 -0.43 -4.93 117.44 111.46 3b8f n TRP 99 Ca 0.23 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.41 3b8f n TRP 99 Cb 0.60 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 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 1.16 1.25 0.00 6.99 0.00 -0.37 -4.76 105.19 109.46 3b8f n GLY 100 Ca 0.19 -2.07 0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 0.95 0.22 -0.12 1.61 -0.04 -1.26 -3.21 135.00 133.16 3b8f n PRO 101 Ca 0.00 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3b8f n PRO 101 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.34 2.38 -1.70 0.54 -0.58 -1.26 -1.71 120.64 116.97 3b8f n GLU 102 Ca 0.09 -2.13 -0.44 0.00 -0.42 0.00 0.00 57.16 54.26 3b8f n GLU 102 Cb 0.19 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 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 1.40 0.04 -3.42 2.62 0.31 -1.20 -4.75 118.33 113.33 3b8f n VAL 103 Ca 0.17 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 64.12 3b8f n VAL 103 Cb 0.59 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 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 1.27 4.30 -0.06 5.55 -1.52 -0.41 -1.18 119.66 127.60 3b8f s GLN 104 Ca 0.77 0.27 0.05 0.00 -1.95 0.00 0.00 55.36 54.51 3b8f s GLN 104 Cb -0.57 -3.43 -0.01 0.00 -0.22 0.00 0.00 33.01 28.79 3b8f s GLN 104 CO 0.35 0.20 -0.22 0.00 -0.25 0.00 0.00 175.29 175.37 3b8f s ALA 106 N 0.04 3.53 -0.03 0.00 0.00 -0.37 -1.19 121.76 123.73 3b8f s ALA 106 Ca -0.08 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 3b8f s ALA 106 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3b8f s ALA 106 CO 0.05 -0.56 0.08 0.96 0.00 0.00 0.00 175.76 176.29 3b8f s ILE 107 N 1.06 4.77 0.25 0.00 -4.36 -0.37 -3.95 121.20 118.60 3b8f s ILE 107 Ca 0.63 -0.29 -0.31 0.00 -0.26 0.00 0.00 60.65 60.41 3b8f s ILE 107 Cb -0.35 -3.14 -0.13 0.00 1.25 0.00 0.00 42.46 40.09 3b8f s ILE 107 CO 0.30 0.43 1.44 0.41 0.24 0.00 0.00 174.94 177.76 3b8f n THR 108 N 1.45 0.97 -3.56 8.37 -1.04 -1.26 -4.66 114.28 114.55 3b8f n THR 108 Ca -0.15 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.48 3b8f n THR 108 Cb 0.53 -1.56 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 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 0.32 -0.53 0.30 8.00 4.22 -1.26 -4.97 114.94 121.03 3b8f s ASN 109 Ca 0.67 0.63 0.03 0.00 -2.14 0.00 0.00 52.86 52.06 3b8f s ASN 109 Cb -0.62 0.51 0.62 0.00 1.28 0.00 0.00 41.25 43.03 3b8f s ASN 109 CO 0.49 -0.45 1.86 0.00 -2.04 0.00 0.00 177.10 176.96 3b8f h ALA 110 N 2.98 1.60 0.00 3.54 0.00 -1.97 -1.40 119.26 124.02 3b8f h ALA 110 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3b8f h ALA 110 Cb 1.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3b8f h ALA 110 CO 0.32 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.37 3b8f n LYS 111 N -4.59 0.08 -2.33 0.00 5.02 -1.26 -4.88 118.16 110.21 3b8f n LYS 111 Ca 0.18 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.31 3b8f n LYS 111 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3b8f n LYS 111 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3b8f n GLN 112 N -1.45 -1.76 -1.19 1.97 1.13 -0.53 -4.99 117.38 110.55 3b8f n GLN 112 Ca 0.08 0.95 -0.31 0.00 -1.94 0.00 0.00 57.00 55.77 3b8f n GLN 112 Cb 0.30 -5.57 0.10 0.00 0.11 0.00 0.00 30.24 25.18 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 -2.10 4.19 -0.50 1.08 1.01 -1.26 -4.92 116.67 114.17 3b8f s ASP 113 Ca 0.00 1.95 -0.18 0.00 0.71 0.00 0.00 52.55 55.03 3b8f s ASP 113 Cb 0.00 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.45 3b8f s ASP 113 CO 0.00 -2.25 0.58 -0.63 0.21 0.00 0.00 175.17 173.08 3b8f s ILE 114 N -2.75 4.95 -0.16 0.77 1.01 -1.26 -4.87 121.20 118.90 3b8f s ILE 114 Ca 0.64 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3b8f s ILE 114 Cb -0.19 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3b8f s ILE 114 CO 0.54 -0.75 -0.15 -0.63 0.00 0.00 0.00 174.94 173.94 3b8f s ILE 115 N 2.42 1.69 -0.19 2.92 1.01 -1.26 -5.04 121.20 122.76 3b8f s ILE 115 Ca 0.13 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 3b8f s ILE 115 Cb -0.20 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3b8f s ILE 115 CO 0.11 0.47 0.25 -0.36 0.00 0.00 0.00 174.94 175.41 3b8f s PHE 116 N 1.44 3.42 0.07 3.97 0.08 -1.26 -1.24 117.98 124.45 3b8f s PHE 116 Ca 0.05 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.66 3b8f s PHE 116 Cb -0.13 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3b8f s PHE 116 CO -0.11 0.20 -0.22 0.15 -0.10 0.00 0.00 175.22 175.14 3b8f s LYS 117 N 0.61 1.36 0.60 0.44 -0.14 -0.34 -4.86 119.74 117.41 3b8f s LYS 117 Ca 0.13 -1.07 -0.17 0.00 -1.36 0.00 0.00 55.97 53.51 3b8f s LYS 117 Cb -0.13 -1.56 -0.03 0.00 -1.68 0.00 0.00 37.83 34.43 3b8f s LYS 117 CO 0.03 0.39 1.12 -1.25 -0.76 0.00 0.00 175.35 174.87 3b8f s PRO 118 N -1.49 3.10 0.37 -1.68 0.04 -1.26 -0.26 135.00 133.83 3b8f s PRO 118 Ca 0.08 1.48 0.14 0.00 0.04 0.00 0.00 61.00 62.75 3b8f s PRO 118 Cb -0.09 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.45 3b8f s PRO 118 CO 0.03 -1.03 1.79 -0.07 0.04 0.00 0.00 177.00 177.76 3b8f h LEU 119 N 0.62 0.55 -2.22 -3.56 3.38 -0.87 0.86 115.31 114.06 3b8f h LEU 119 Ca -0.48 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3b8f h LEU 119 Cb 1.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3b8f h LEU 119 CO 0.56 0.16 0.04 0.07 0.09 0.00 0.00 178.44 179.36 3b8f h LYS 120 N 0.52 0.00 0.00 1.13 2.10 -1.60 -0.75 116.57 117.96 3b8f h LYS 120 Ca 0.56 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.09 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 -0.30 0.00 -1.04 0.93 -2.00 0.00 0.00 179.45 177.04 3b8f h GLU 121 N 0.00 0.00 0.00 0.07 5.08 -1.13 -2.93 114.58 115.67 3b8f h GLU 121 Ca 0.02 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3b8f h GLU 121 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3b8f h GLU 121 CO -0.00 0.31 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.60 3b8f h LEU 122 N 0.00 0.00 -6.70 1.33 4.07 -0.83 -3.37 115.31 109.81 3b8f h LEU 122 Ca -0.09 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.27 3b8f h LEU 122 Cb 1.43 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.78 3b8f h LEU 122 CO 0.04 0.65 -0.81 -1.10 -1.08 0.00 0.00 178.44 176.15 3b8f s GLN 123 N -3.50 1.39 0.00 1.13 -0.21 -0.42 -4.98 119.66 113.07 3b8f s GLN 123 Ca -0.01 -2.39 0.13 0.00 0.02 0.00 0.00 55.36 53.11 3b8f s GLN 123 Cb 0.12 -2.15 0.58 0.00 1.00 0.00 0.00 33.01 32.56 3b8f s GLN 123 CO 0.76 -1.30 1.39 -0.35 -2.12 0.00 0.00 175.29 173.67 3b8f n PRO 124 N 2.81 0.05 -1.49 2.91 -0.04 -1.11 -2.88 135.00 135.25 3b8f n PRO 124 Ca 0.22 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3b8f n PRO 124 Cb 0.41 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.45 1.43 -1.74 0.54 4.01 -1.26 -5.05 117.16 113.63 3b8f n TYR 125 Ca 0.04 -1.84 -0.41 0.00 -0.16 0.00 0.00 57.90 55.53 3b8f n TYR 125 Cb 0.14 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 -0.80 2.64 0.29 -0.72 -0.00 -1.14 -4.88 115.22 110.62 3b8f n HIS 126 Ca 0.30 0.48 0.14 0.00 0.46 0.00 0.00 57.72 59.09 3b8f n HIS 126 Cb 0.86 -2.47 0.85 0.00 -0.12 0.00 0.00 29.99 29.12 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 2.59 0.00 -0.00 1.57 5.08 -1.98 -2.07 115.95 121.14 3b8f h TRP 127 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3b8f h TRP 127 Cb 1.26 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.42 3b8f h TRP 127 CO 0.51 0.01 0.00 1.79 -1.28 0.00 0.00 178.44 179.47 3b8f h THR 128 N 0.00 0.06 -0.50 0.12 1.35 -1.96 -1.34 112.91 110.63 3b8f h THR 128 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3b8f h THR 128 Cb 0.03 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 3b8f h THR 128 CO 0.00 0.00 0.34 -0.08 -0.25 0.00 0.00 175.52 175.53 3b8f h GLU 129 N 0.00 0.42 0.00 4.72 4.81 -1.73 -0.26 114.58 122.54 3b8f h GLU 129 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3b8f h GLU 129 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3b8f h GLU 129 CO -0.00 0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 3b8f h ALA 130 N 1.73 1.00 -0.49 2.92 0.00 -1.46 -2.71 119.26 120.25 3b8f h ALA 130 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.78 3b8f h ALA 130 Cb 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.76 3b8f h ALA 130 CO -0.06 0.00 -0.85 0.66 0.00 0.00 0.00 179.25 179.01 3b8f n TYR 131 N -2.96 1.71 0.07 0.00 4.01 -0.14 -4.96 117.16 114.88 3b8f n TYR 131 Ca -0.02 -1.94 -0.12 0.00 -0.16 0.00 0.00 57.90 55.66 3b8f n TYR 131 Cb 0.11 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.97 -0.63 -0.28 -0.72 2.76 -1.12 -1.08 115.15 116.06 3b8f h HIS 132 Ca 0.14 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3b8f h HIS 132 Cb 1.41 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 30.62 3b8f h HIS 132 CO 0.70 -0.33 0.13 -0.44 -1.30 0.00 0.00 177.93 176.69 3b8f h ASP 133 N -0.38 0.17 -0.31 3.26 3.32 -1.88 -0.48 116.42 120.12 3b8f h ASP 133 Ca 0.05 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3b8f h ASP 133 Cb 0.45 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3b8f h ASP 133 CO -0.19 0.14 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.09 3b8f h GLU 134 N 0.27 0.04 -0.44 3.56 3.07 -1.80 -2.37 114.58 116.91 3b8f h GLU 134 Ca 0.12 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 3b8f h GLU 134 Cb 0.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3b8f h GLU 134 CO -0.10 0.03 -0.24 0.52 -1.40 0.00 0.00 179.01 177.82 3b8f h MET 135 N 0.04 0.93 -0.61 2.33 2.86 -0.78 -0.72 114.93 118.98 3b8f h MET 135 Ca 0.15 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3b8f h MET 135 Cb 0.22 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3b8f h MET 135 CO -0.29 1.08 0.24 -0.39 1.06 0.00 0.00 176.91 178.61 3b8f h VAL 136 N 0.77 1.23 0.05 -2.22 -1.51 -1.05 0.27 116.25 113.79 3b8f h VAL 136 Ca 0.09 -0.73 0.02 0.00 -1.23 0.00 0.00 66.70 64.85 3b8f h VAL 136 Cb 0.81 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 3b8f h VAL 136 CO 0.07 0.29 -0.19 0.50 -1.23 0.00 0.00 177.57 177.01 3b8f h LYS 137 N 0.85 -0.32 -0.76 5.19 3.64 -1.30 -2.52 116.57 121.35 3b8f h LYS 137 Ca 0.20 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3b8f h LYS 137 Cb 0.21 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3b8f h LYS 137 CO -0.02 -0.21 0.48 1.49 -2.27 0.00 0.00 179.45 178.92 3b8f h GLU 138 N -0.33 0.90 0.00 1.90 4.57 -0.49 -2.83 114.58 118.30 3b8f h GLU 138 Ca 0.04 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 3b8f h GLU 138 Cb 0.38 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3b8f h GLU 138 CO -0.14 0.59 -0.29 -1.49 -1.18 0.00 0.00 179.01 176.50 3b8f h TRP 139 N 0.92 0.00 0.00 0.92 6.55 -0.37 -2.76 115.95 121.21 3b8f h TRP 139 Ca 0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.15 3b8f h TRP 139 Cb 0.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 3b8f h TRP 139 CO -0.04 0.29 0.00 -1.13 -1.05 0.00 0.00 178.44 176.51 3b8f n SER 140 N -3.64 0.00 -0.11 -3.49 3.41 -0.96 -2.70 113.62 106.13 3b8f n SER 140 Ca -0.01 0.14 0.14 0.00 -0.26 0.00 0.00 58.87 58.89 3b8f n SER 140 Cb 0.41 -0.36 0.66 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.36 0.00 1.70 6.66 -1.04 -1.04 -5.13 114.28 114.08 3b8f n THR 141 Ca 0.09 -0.06 0.15 0.00 -2.04 0.00 0.00 64.05 62.19 3b8f n THR 141 Cb 0.20 -0.15 0.70 0.00 -1.82 0.00 0.00 70.33 69.26 3b8f n THR 141 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97