#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 0.67 -0.60 -1.44 1.08 -2.05 -1.49 117.51 113.67 3b8f h ILE 3 Ca 0.00 -0.10 0.12 0.00 -0.39 0.00 0.00 64.86 64.49 3b8f h ILE 3 Cb 0.00 0.34 -0.10 0.00 -3.07 0.00 0.00 36.82 34.00 3b8f h ILE 3 CO 0.00 0.05 0.03 -0.33 -0.69 0.00 0.00 178.15 177.21 3b8f h GLU 4 N 0.30 0.14 0.05 2.37 3.07 -1.99 -0.40 114.58 118.12 3b8f h GLU 4 Ca 0.32 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.91 3b8f h GLU 4 Cb 0.46 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3b8f h GLU 4 CO -0.38 0.09 -1.03 0.37 -1.40 0.00 0.00 179.01 176.66 3b8f h GLN 5 N 0.14 0.61 -0.51 2.33 5.75 -1.89 -1.83 115.11 119.71 3b8f h GLN 5 Ca 0.32 -0.72 0.10 0.00 -0.15 0.00 0.00 58.65 58.20 3b8f h GLN 5 Cb 0.50 0.22 -0.10 0.00 1.07 0.00 0.00 27.48 29.17 3b8f h GLN 5 CO -0.50 1.31 -0.16 0.37 -2.65 0.00 0.00 178.83 177.20 3b8f h GLN 6 N 0.23 -0.04 -0.25 1.69 4.15 -0.91 0.14 115.11 120.12 3b8f h GLN 6 Ca -0.14 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 3b8f h GLN 6 Cb 1.71 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.41 3b8f h GLN 6 CO 0.20 -0.02 -0.51 -0.07 -1.93 0.00 0.00 178.83 176.50 3b8f h LEU 7 N -0.04 0.88 -0.23 -2.39 3.38 -1.07 -2.20 115.31 113.64 3b8f h LEU 7 Ca 0.25 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3b8f h LEU 7 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3b8f h LEU 7 CO -0.55 1.26 0.07 0.22 0.09 0.00 0.00 178.44 179.53 3b8f h TYR 8 N 0.53 0.13 -0.49 1.13 3.20 -1.04 -2.78 116.97 117.64 3b8f h TYR 8 Ca 0.01 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 3b8f h TYR 8 Cb 1.12 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 3b8f h TYR 8 CO 0.08 0.06 -0.17 -0.44 -1.64 0.00 0.00 178.16 176.05 3b8f h ASP 9 N 0.18 0.98 -0.52 -2.11 3.32 -0.91 -1.34 116.42 116.03 3b8f h ASP 9 Ca 0.10 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.84 3b8f h ASP 9 Cb 0.08 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3b8f h ASP 9 CO -0.11 1.13 0.29 0.58 -1.72 0.00 0.00 179.24 179.41 3b8f h VAL 10 N 0.85 1.02 -0.19 -1.35 2.07 -1.29 -0.97 116.25 116.38 3b8f h VAL 10 Ca 0.12 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3b8f h VAL 10 Cb 0.73 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3b8f h VAL 10 CO 0.06 0.10 -0.26 0.58 0.02 0.00 0.00 177.57 178.07 3b8f h VAL 11 N 0.57 1.34 -0.45 2.57 2.07 -1.31 -0.57 116.25 120.47 3b8f h VAL 11 Ca 0.22 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.32 3b8f h VAL 11 Cb 0.07 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3b8f h VAL 11 CO -0.12 0.45 0.19 0.50 0.02 0.00 0.00 177.57 178.61 3b8f h LYS 12 N 0.18 0.38 -0.68 1.57 3.64 -1.20 0.09 116.57 120.54 3b8f h LYS 12 Ca 0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3b8f h LYS 12 Cb 0.83 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3b8f h LYS 12 CO 0.06 0.25 0.26 1.96 -2.27 0.00 0.00 179.45 179.71 3b8f h GLN 13 N 0.39 1.02 -0.18 1.90 4.20 -1.07 -0.88 115.11 120.49 3b8f h GLN 13 Ca 0.20 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3b8f h GLN 13 Cb 0.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3b8f h GLN 13 CO -0.18 0.86 0.12 1.25 -0.67 0.00 0.00 178.83 180.20 3b8f h LEU 14 N 0.97 0.20 -0.23 1.46 5.85 -0.53 -2.06 115.31 120.96 3b8f h LEU 14 Ca 0.23 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3b8f h LEU 14 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3b8f h LEU 14 CO -0.02 0.14 0.09 0.40 -0.34 0.00 0.00 178.44 178.71 3b8f h ILE 15 N 0.24 0.95 -0.89 4.05 2.04 -0.75 0.16 117.51 123.31 3b8f h ILE 15 Ca 0.07 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3b8f h ILE 15 Cb -0.02 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3b8f h ILE 15 CO -0.02 0.04 0.57 -0.33 0.00 0.00 0.00 178.15 178.41 3b8f h GLU 16 N 0.20 0.71 0.13 2.37 5.08 -1.03 0.28 114.58 122.32 3b8f h GLU 16 Ca 0.10 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 3b8f h GLU 16 Cb 0.06 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.16 3b8f h GLU 16 CO -0.10 0.47 -1.02 0.37 -1.00 0.00 0.00 179.01 177.73 3b8f h GLN 17 N 0.73 0.27 0.00 2.33 5.75 -0.97 -3.32 115.11 119.91 3b8f h GLN 17 Ca 0.44 -0.47 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 3b8f h GLN 17 Cb 0.66 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3b8f h GLN 17 CO -0.20 1.22 -1.00 -0.09 -2.65 0.00 0.00 178.83 176.11 3b8f h ARG 18 N -0.37 0.00 -2.06 1.69 9.65 -0.51 -3.39 114.38 119.39 3b8f h ARG 18 Ca -0.20 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.15 3b8f h ARG 18 Cb 1.67 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.85 3b8f h ARG 18 CO 0.11 0.18 -1.04 0.66 2.80 0.00 0.00 179.97 182.68 3b8f n TYR 19 N -2.88 0.92 0.30 2.20 4.01 0.95 -4.92 117.16 117.75 3b8f n TYR 19 Ca -0.03 -3.81 0.18 0.00 -0.16 0.00 0.00 57.90 54.08 3b8f n TYR 19 Cb 0.69 -0.42 0.97 0.00 -0.31 0.00 0.00 39.34 40.26 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 3.33 0.00 -4.84 -0.72 0.13 -1.70 -3.43 132.00 124.77 3b8f h PRO 20 Ca 0.10 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.88 3b8f h PRO 20 Cb 0.85 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.74 3b8f h PRO 20 CO 0.57 0.03 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.80 3b8f s ASN 21 N -5.73 1.16 0.96 1.44 -0.87 -1.26 -4.69 114.94 105.94 3b8f s ASN 21 Ca -0.04 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 3b8f s ASN 21 Cb 0.13 -0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.32 3b8f s ASN 21 CO 0.50 -0.06 0.00 0.47 -2.57 0.00 0.00 177.10 175.44 3b8f n ASP 22 N 1.87 -1.64 -4.71 -1.22 8.00 -1.26 -4.76 116.55 112.83 3b8f n ASP 22 Ca -0.19 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 3b8f n ASP 22 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 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 2.35 -3.87 1.24 -0.00 -1.16 -3.59 117.44 112.42 3b8f n TRP 23 Ca 0.00 0.54 -0.12 0.00 -0.00 0.00 0.00 57.50 57.92 3b8f n TRP 23 Cb 0.00 -2.43 -0.12 0.00 -0.00 0.00 0.00 31.31 28.76 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 -0.30 0.00 0.04 5.87 0.00 -0.72 -4.88 107.32 107.33 3b8f s GLY 24 Ca 0.55 0.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.05 3b8f s GLY 24 CO 0.62 -0.00 0.76 -0.32 0.00 0.00 0.00 173.10 174.16 3b8f s GLY 25 N -0.39 -0.52 0.24 0.20 0.00 -1.26 0.03 107.32 105.62 3b8f s GLY 25 Ca -0.05 0.95 -0.21 0.00 0.00 0.00 0.00 44.72 45.41 3b8f s GLY 25 CO 0.00 0.41 0.90 0.00 0.00 0.00 0.00 173.10 174.41 3b8f s ALA 26 N -2.93 -1.34 0.04 3.20 0.00 -0.66 -4.65 121.76 115.42 3b8f s ALA 26 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 3b8f s ALA 26 Cb -0.01 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 3b8f s ALA 26 CO -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 175.76 174.65 3b8f s ALA 27 N -2.87 0.30 0.01 0.00 0.00 -0.49 -1.68 121.76 117.03 3b8f s ALA 27 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3b8f s ALA 27 Cb -0.03 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3b8f s ALA 27 CO 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 175.76 175.47 3b8f s ALA 28 N -3.22 0.12 -0.07 0.00 0.00 -0.23 -1.38 121.76 116.98 3b8f s ALA 28 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3b8f s ALA 28 Cb 0.03 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3b8f s ALA 28 CO -0.07 -0.04 -0.16 0.42 0.00 0.00 0.00 175.76 175.91 3b8f s ILE 29 N -0.54 1.43 -0.12 0.00 -1.09 0.86 -1.33 121.20 120.41 3b8f s ILE 29 Ca -0.05 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3b8f s ILE 29 Cb -0.04 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 3b8f s ILE 29 CO -0.00 0.42 0.09 -0.60 -1.23 0.00 0.00 174.94 173.62 3b8f s ARG 30 N 0.49 3.44 0.44 2.79 3.52 -0.36 -0.01 118.95 129.26 3b8f s ARG 30 Ca -0.14 -0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 3b8f s ARG 30 Cb -0.16 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3b8f s ARG 30 CO 0.05 0.66 0.32 0.14 -0.81 0.00 0.00 175.30 175.66 3b8f s VAL 31 N -0.70 2.37 0.29 7.11 -7.23 0.04 -0.43 120.40 121.84 3b8f s VAL 31 Ca 0.12 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3b8f s VAL 31 Cb -0.12 -2.85 0.29 0.00 0.56 0.00 0.00 36.38 34.26 3b8f s VAL 31 CO 0.03 0.00 1.85 -0.33 -0.31 0.00 0.00 175.10 176.34 3b8f h GLU 32 N 1.11 0.96 0.00 4.82 5.08 -1.62 0.81 114.58 125.74 3b8f h GLU 32 Ca -0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3b8f h GLU 32 Cb 1.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3b8f h GLU 32 CO 0.61 0.63 0.00 -0.40 -1.00 0.00 0.00 179.01 178.86 3b8f n ASP 33 N -4.58 0.00 0.00 1.42 5.68 -1.26 -4.86 116.55 112.95 3b8f n ASP 33 Ca 0.18 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3b8f n ASP 33 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 0.53 1.27 3.78 6.12 0.00 0.28 -5.05 105.19 112.11 3b8f n GLY 34 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3b8f n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8f s THR 35 N -2.41 2.17 -0.15 2.61 2.01 -1.25 -4.75 115.64 113.87 3b8f s THR 35 Ca 0.00 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3b8f s THR 35 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 3b8f s THR 35 CO 0.00 0.04 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.19 3b8f s ILE 36 N -1.05 2.77 0.00 1.82 1.01 -1.26 -0.78 121.20 123.72 3b8f s ILE 36 Ca 0.53 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3b8f s ILE 36 Cb -0.45 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3b8f s ILE 36 CO 0.60 0.52 -0.02 -0.31 0.00 0.00 0.00 174.94 175.73 3b8f s TYR 37 N 0.68 3.01 0.10 3.97 2.02 0.99 -4.95 117.35 123.17 3b8f s TYR 37 Ca -0.07 0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 3b8f s TYR 37 Cb -0.16 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3b8f s TYR 37 CO 0.02 0.43 -0.20 0.95 -1.57 0.00 0.00 175.55 175.19 3b8f s THR 38 N -1.06 1.64 0.22 -0.71 -4.23 -1.26 -0.10 115.64 110.14 3b8f s THR 38 Ca 0.19 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.99 3b8f s THR 38 Cb -0.11 -1.52 0.02 0.00 1.34 0.00 0.00 72.50 72.22 3b8f s THR 38 CO 0.10 -0.11 0.52 -0.94 -0.54 0.00 0.00 174.62 173.65 3b8f s SER 39 N -1.96 -0.20 0.11 3.99 1.04 -0.48 -4.38 113.70 111.82 3b8f s SER 39 Ca 0.06 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.89 3b8f s SER 39 Cb -0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3b8f s SER 39 CO 0.04 -1.10 -0.09 0.68 0.98 0.00 0.00 173.24 173.75 3b8f s VAL 40 N -3.92 0.92 0.41 5.02 -7.23 -1.25 -1.39 120.40 112.96 3b8f s VAL 40 Ca 0.13 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.24 3b8f s VAL 40 Cb -0.01 -1.55 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 3b8f s VAL 40 CO 0.02 -0.69 1.20 0.00 -0.31 0.00 0.00 175.10 175.32 3b8f s ALA 41 N -2.96 3.14 0.40 1.32 0.00 -1.26 -4.78 121.76 117.63 3b8f s ALA 41 Ca 0.10 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 3b8f s ALA 41 Cb 0.01 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3b8f s ALA 41 CO -0.01 -0.62 1.13 -1.25 0.00 0.00 0.00 175.76 175.01 3b8f s PRO 42 N -2.36 4.06 0.41 0.00 0.04 -1.26 -5.03 135.00 130.86 3b8f s PRO 42 Ca 0.58 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 3b8f s PRO 42 Cb -0.32 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 3b8f s PRO 42 CO 0.40 -0.29 1.18 -0.51 0.04 0.00 0.00 177.00 177.83 3b8f s ASP 43 N -1.29 6.42 0.17 6.66 1.01 -1.26 -4.79 116.67 123.59 3b8f s ASP 43 Ca 0.58 2.37 0.03 0.00 0.71 0.00 0.00 52.55 56.24 3b8f s ASP 43 Cb -0.28 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.99 3b8f s ASP 43 CO 0.35 -0.75 -0.03 0.68 0.21 0.00 0.00 175.17 175.63 3b8f s VAL 44 N -1.42 0.86 -0.01 -1.27 -7.23 -1.26 -5.02 120.40 105.04 3b8f s VAL 44 Ca 0.58 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3b8f s VAL 44 Cb -0.31 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 3b8f s VAL 44 CO 0.39 -0.57 0.01 2.30 -0.31 0.00 0.00 175.10 176.93 3b8f n ILE 45 N -0.24 0.00 -4.05 -0.62 -5.35 -1.26 -4.98 119.36 102.87 3b8f n ILE 45 Ca -0.08 -0.33 -0.32 0.00 -0.27 0.00 0.00 62.75 61.76 3b8f n ILE 45 Cb 0.62 0.83 -0.15 0.00 -1.74 0.00 0.00 39.64 39.20 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 -1.38 4.55 0.60 7.28 3.84 -1.26 -5.02 114.94 123.55 3b8f s ASN 46 Ca 0.00 -1.59 0.30 0.00 0.21 0.00 0.00 52.86 51.78 3b8f s ASN 46 Cb 0.00 -1.58 1.77 0.00 -0.55 0.00 0.00 41.25 40.89 3b8f s ASN 46 CO 0.02 -0.24 2.17 0.00 -2.79 0.00 0.00 177.10 176.26 3b8f h ALA 47 N 7.74 1.63 0.00 1.71 0.00 -2.01 0.41 119.26 128.75 3b8f h ALA 47 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3b8f h ALA 47 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3b8f h ALA 47 CO 0.48 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3b8f n SER 48 N -3.75 0.00 -1.35 0.00 3.41 -1.26 -2.56 113.62 108.10 3b8f n SER 48 Ca -0.01 -0.05 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 3b8f n SER 48 Cb 0.21 -0.25 0.32 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.25 1.46 -1.95 6.66 -2.24 0.14 -4.97 114.28 112.14 3b8f n THR 49 Ca 0.09 -1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 60.32 3b8f n THR 49 Cb 0.13 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.49 4.23 0.08 -0.78 0.41 -1.06 -4.92 118.70 115.17 3b8f s GLU 50 Ca 0.46 2.39 0.06 0.00 -0.41 0.00 0.00 54.97 57.48 3b8f s GLU 50 Cb 0.28 -3.05 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 3b8f s GLU 50 CO 0.26 -0.42 -0.17 -0.51 -0.49 0.00 0.00 175.26 173.93 3b8f s LEU 51 N -1.22 2.27 0.61 1.80 1.43 -1.26 -5.07 118.68 117.24 3b8f s LEU 51 Ca 0.55 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3b8f s LEU 51 Cb -0.43 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3b8f s LEU 51 CO 0.52 -0.00 1.20 0.00 0.23 0.00 0.00 176.35 178.29 3b8f h MET 53 N 0.74 0.00 0.00 0.00 0.00 -1.94 -2.25 114.93 111.47 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 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.89 3b8f h MET 53 CO 0.55 0.13 0.00 0.39 0.00 0.00 0.00 176.91 177.98 3b8f n GLU 54 N -4.33 0.12 0.04 1.72 4.71 -1.26 -3.80 120.64 117.84 3b8f n GLU 54 Ca -0.03 0.19 -0.11 0.00 -0.01 0.00 0.00 57.16 57.21 3b8f n GLU 54 Cb 0.20 -1.67 -0.04 0.00 -1.01 0.00 0.00 31.44 28.93 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 0.58 -0.47 2.62 2.02 -1.75 -1.64 112.91 114.27 3b8f h THR 55 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3b8f h THR 55 Cb 0.51 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3b8f h THR 55 CO 0.00 0.00 0.11 1.23 0.37 0.00 0.00 175.52 177.23 3b8f h GLY 56 N -0.26 0.57 0.99 2.16 0.00 -1.82 -0.70 103.07 104.02 3b8f h GLY 56 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3b8f h GLY 56 CO -0.19 -0.04 0.17 0.00 0.00 0.00 0.00 176.54 176.48 3b8f h ALA 57 N 1.35 0.72 -0.83 3.60 0.00 -1.70 -0.99 119.26 121.42 3b8f h ALA 57 Ca 0.23 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3b8f h ALA 57 Cb 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3b8f h ALA 57 CO -0.29 0.39 0.53 0.82 0.00 0.00 0.00 179.25 180.70 3b8f h ILE 58 N 0.77 1.13 -0.23 0.00 2.04 -0.92 -2.08 117.51 118.22 3b8f h ILE 58 Ca 0.18 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3b8f h ILE 58 Cb 0.28 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3b8f h ILE 58 CO -0.01 0.19 -0.29 -0.07 0.00 0.00 0.00 178.15 177.97 3b8f h LEU 59 N 1.04 0.46 -0.58 1.44 3.38 -0.61 -1.91 115.31 118.52 3b8f h LEU 59 Ca 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3b8f h LEU 59 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3b8f h LEU 59 CO -0.11 0.73 0.28 -0.33 0.09 0.00 0.00 178.44 179.10 3b8f h GLU 60 N 0.39 0.84 -0.88 1.13 5.08 -0.88 -0.50 114.58 119.76 3b8f h GLU 60 Ca 0.05 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3b8f h GLU 60 Cb 0.71 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 3b8f h GLU 60 CO 0.05 0.68 0.53 0.00 -1.00 0.00 0.00 179.01 179.27 3b8f h ALA 61 N 1.11 1.26 -0.29 3.43 0.00 -0.98 -0.98 119.26 122.81 3b8f h ALA 61 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3b8f h ALA 61 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3b8f h ALA 61 CO -0.03 0.19 0.06 0.45 0.00 0.00 0.00 179.25 179.93 3b8f h HIS 62 N 0.90 0.49 -0.17 0.00 3.86 -0.97 0.71 115.15 119.98 3b8f h HIS 62 Ca 0.41 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3b8f h HIS 62 Cb 0.32 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3b8f h HIS 62 CO -0.04 0.54 -0.07 -0.22 0.86 0.00 0.00 177.93 179.01 3b8f h LYS 63 N 0.30 -0.04 -0.00 2.45 3.64 -0.69 -2.28 116.57 119.94 3b8f h LYS 63 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3b8f h LYS 63 Cb 0.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3b8f h LYS 63 CO 0.00 -0.03 -0.03 1.19 -2.27 0.00 0.00 179.45 178.32 3b8f n PHE 64 N -5.21 0.00 -3.71 1.91 3.72 -0.41 -4.94 117.46 108.81 3b8f n PHE 64 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 3b8f n PHE 64 Cb 0.14 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.92 -3.63 -4.26 -1.08 7.27 0.12 -5.01 117.38 109.87 3b8f n GLN 65 Ca 0.19 0.56 -0.29 0.00 0.07 0.00 0.00 57.00 57.53 3b8f n GLN 65 Cb 0.20 -4.87 -0.10 0.00 2.41 0.00 0.00 30.24 27.88 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 -5.98 1.99 -0.13 3.69 1.02 -0.46 -5.04 119.74 114.83 3b8f s LYS 66 Ca 0.13 -1.10 -0.23 0.00 0.02 0.00 0.00 55.97 54.79 3b8f s LYS 66 Cb -0.04 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3b8f s LYS 66 CO 0.83 0.49 0.72 0.15 -0.92 0.00 0.00 175.35 176.62 3b8f s LYS 67 N -2.23 4.35 0.16 1.68 1.02 -1.26 -4.68 119.74 118.78 3b8f s LYS 67 Ca 0.20 0.85 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 3b8f s LYS 67 Cb -0.11 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.62 3b8f s LYS 67 CO 0.12 -0.11 1.04 0.08 -0.92 0.00 0.00 175.35 175.56 3b8f s VAL 68 N 1.42 4.08 -0.06 3.17 1.01 -1.26 -1.60 120.40 127.16 3b8f s VAL 68 Ca 0.36 1.80 0.05 0.00 0.00 0.00 0.00 61.98 64.19 3b8f s VAL 68 Cb -0.17 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 3b8f s VAL 68 CO 0.15 0.31 0.02 0.35 0.00 0.00 0.00 175.10 175.93 3b8f n THR 69 N 2.40 0.41 -3.87 3.92 -2.24 0.43 -4.79 114.28 110.55 3b8f n THR 69 Ca 0.02 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3b8f n THR 69 Cb 0.47 -0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.14 0.05 -0.01 4.78 3.76 -1.17 -0.90 115.29 119.65 3b8f s HIS 70 Ca -0.03 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 3b8f s HIS 70 Cb 0.02 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.67 3b8f s HIS 70 CO 0.24 -0.32 -0.02 0.45 -0.85 0.00 0.00 174.74 174.25 3b8f s SER 71 N -1.56 0.38 -0.01 1.40 0.15 0.43 -1.23 113.70 113.26 3b8f s SER 71 Ca -0.12 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 3b8f s SER 71 Cb -0.06 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 3b8f s SER 71 CO 0.00 -0.03 0.06 -0.51 1.20 0.00 0.00 173.24 173.97 3b8f s ILE 72 N 0.42 0.05 -0.03 6.45 2.07 -0.44 -1.73 121.20 127.99 3b8f s ILE 72 Ca -0.04 -0.38 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3b8f s ILE 72 Cb -0.07 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.32 3b8f s ILE 72 CO -0.01 -0.21 -0.02 0.00 -1.91 0.00 0.00 174.94 172.80 3b8f s LEU 74 N 0.89 2.40 -0.06 0.00 1.43 -0.68 -1.47 118.68 121.18 3b8f s LEU 74 Ca -0.10 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 3b8f s LEU 74 Cb -0.13 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.16 3b8f s LEU 74 CO -0.01 0.04 0.35 0.00 0.23 0.00 0.00 176.35 176.96 3b8f s ALA 75 N -1.67 -0.88 0.05 4.21 0.00 -0.59 -1.66 121.76 121.23 3b8f s ALA 75 Ca 0.15 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.80 3b8f s ALA 75 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3b8f s ALA 75 CO 0.07 -0.23 -0.14 -0.98 0.00 0.00 0.00 175.76 174.47 3b8f s ARG 76 N -0.73 0.91 0.20 0.00 1.70 0.11 -0.71 118.95 120.42 3b8f s ARG 76 Ca -0.08 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 54.35 3b8f s ARG 76 Cb -0.04 -0.93 0.13 0.00 -0.57 0.00 0.00 34.95 33.55 3b8f s ARG 76 CO 0.03 0.22 1.51 0.93 -1.08 0.00 0.00 175.30 176.91 3b8f h GLU 77 N 4.76 0.48 0.00 3.89 4.39 -1.85 -1.90 114.58 124.35 3b8f h GLU 77 Ca -0.39 -0.31 -0.17 0.00 0.34 0.00 0.00 59.36 58.83 3b8f h GLU 77 Cb 1.18 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 3b8f h GLU 77 CO 0.43 0.92 -0.01 0.27 -1.16 0.00 0.00 179.01 179.46 3b8f n ASN 78 N -3.93 -1.42 0.19 1.42 6.94 -1.26 -2.96 115.26 114.25 3b8f n ASN 78 Ca -0.03 -2.53 0.14 0.00 -0.02 0.00 0.00 54.58 52.14 3b8f n ASN 78 Cb 0.62 2.52 0.62 0.00 -2.36 0.00 0.00 39.78 41.18 3b8f n ASN 78 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3b8f h GLU 79 N 0.00 0.00 -0.41 -3.83 9.09 -1.83 -1.92 114.58 115.68 3b8f h GLU 79 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3b8f h GLU 79 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3b8f h GLU 79 CO 0.33 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.11 3b8f n HIS 80 N -2.53 0.53 -3.17 2.06 8.25 -1.26 -5.02 115.22 114.08 3b8f n HIS 80 Ca 0.01 -0.31 -0.22 0.00 -0.26 0.00 0.00 57.72 56.93 3b8f n HIS 80 Cb 0.20 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.27 5.96 0.28 0.41 0.01 -0.72 -5.05 113.70 113.32 3b8f s SER 81 Ca 0.36 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 3b8f s SER 81 Cb 0.20 -1.59 -0.11 0.00 0.21 0.00 0.00 66.02 64.73 3b8f s SER 81 CO 0.28 -0.56 1.55 -0.70 0.41 0.00 0.00 173.24 174.22 3b8f s GLU 82 N -4.43 4.16 -0.15 12.44 2.12 -1.26 -4.84 118.70 126.74 3b8f s GLU 82 Ca 0.46 2.50 -0.29 0.00 0.36 0.00 0.00 54.97 57.99 3b8f s GLU 82 Cb -0.10 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 3b8f s GLU 82 CO 0.36 -0.57 1.12 -0.51 -0.54 0.00 0.00 175.26 175.12 3b8f s LEU 83 N -0.43 4.19 0.00 2.70 1.43 -1.26 -4.44 118.68 120.87 3b8f s LEU 83 Ca 0.62 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 3b8f s LEU 83 Cb -0.46 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3b8f s LEU 83 CO 0.46 -0.63 -0.01 -0.54 0.23 0.00 0.00 176.35 175.86 3b8f s LYS 84 N 2.83 2.74 -0.09 1.70 1.02 0.11 -4.91 119.74 123.14 3b8f s LYS 84 Ca 0.50 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.57 3b8f s LYS 84 Cb -0.19 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3b8f s LYS 84 CO 0.14 0.62 0.95 0.08 -0.92 0.00 0.00 175.35 176.21 3b8f s VAL 85 N -1.08 4.84 -0.25 3.17 1.01 -1.26 -1.55 120.40 125.28 3b8f s VAL 85 Ca 0.19 1.93 -0.05 0.00 0.00 0.00 0.00 61.98 64.06 3b8f s VAL 85 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3b8f s VAL 85 CO 0.10 0.06 0.00 -0.76 0.00 0.00 0.00 175.10 174.50 3b8f s LEU 86 N 1.74 3.32 0.57 3.92 1.43 -0.54 -4.07 118.68 125.04 3b8f s LEU 86 Ca 0.46 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 3b8f s LEU 86 Cb -0.18 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 3b8f s LEU 86 CO 0.19 -0.10 0.94 -1.20 0.23 0.00 0.00 176.35 176.40 3b8f n SER 87 N 4.80 0.72 -4.71 2.29 7.64 -1.26 -4.23 113.62 118.87 3b8f n SER 87 Ca -0.16 0.84 -0.43 0.00 1.01 0.00 0.00 58.87 60.13 3b8f n SER 87 Cb 0.49 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.30 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 -0.71 2.38 -1.00 1.43 -0.04 -1.26 -4.96 135.00 130.84 3b8f n PRO 88 Ca 0.13 0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 64.15 3b8f n PRO 88 Cb 0.46 -2.56 0.20 0.00 -0.04 0.00 0.00 33.50 31.56 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 -2.10 0.10 0.73 0.00 0.00 -1.98 0.38 103.07 100.19 3b8f h GLY 90 Ca -0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3b8f h GLY 90 CO 0.56 0.02 0.00 -2.08 0.00 0.00 0.00 176.54 175.04 3b8f h VAL 91 N 0.08 1.24 0.00 4.60 2.07 -2.00 -1.98 116.25 120.25 3b8f h VAL 91 Ca 0.13 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 3b8f h VAL 91 Cb 0.41 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3b8f h VAL 91 CO -0.01 0.19 -0.52 0.00 0.02 0.00 0.00 177.57 177.26 3b8f h GLN 93 N 0.00 0.83 -0.70 0.00 4.20 -0.88 0.14 115.11 118.72 3b8f h GLN 93 Ca -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3b8f h GLN 93 Cb 1.02 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 3b8f h GLN 93 CO 0.07 0.55 0.37 0.93 -0.67 0.00 0.00 178.83 180.07 3b8f h GLU 94 N 0.86 0.98 -0.33 1.46 4.39 -0.85 0.25 114.58 121.34 3b8f h GLU 94 Ca 0.27 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3b8f h GLU 94 Cb -0.01 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3b8f h GLU 94 CO -0.09 0.75 0.18 0.00 -1.16 0.00 0.00 179.01 178.69 3b8f h ARG 95 N 0.96 0.46 -0.05 2.33 3.08 -1.07 -2.92 114.38 117.17 3b8f h ARG 95 Ca 0.24 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3b8f h ARG 95 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3b8f h ARG 95 CO -0.04 0.39 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.01 3b8f h LEU 96 N 0.41 0.07 -2.25 3.04 3.38 -0.59 -2.24 115.31 117.14 3b8f h LEU 96 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3b8f h LEU 96 Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3b8f h LEU 96 CO -0.02 0.25 0.00 -0.26 0.09 0.00 0.00 178.44 178.50 3b8f h PHE 97 N 0.07 0.00 -0.97 1.13 -1.00 -0.75 -0.28 116.94 115.14 3b8f h PHE 97 Ca 0.01 0.00 0.32 0.00 2.81 0.00 0.00 57.97 61.11 3b8f h PHE 97 Cb 0.35 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.75 3b8f h PHE 97 CO 0.00 0.00 0.43 -0.92 -1.61 0.00 0.00 178.31 176.21 3b8f h TYR 98 N 0.00 0.68 -0.31 -0.55 3.20 -1.44 -0.76 116.97 117.78 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 0.09 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3b8f h TYR 98 CO 0.00 -0.28 0.00 0.91 -1.64 0.00 0.00 178.16 177.15 3b8f n TRP 99 N -5.18 0.41 0.00 -3.82 8.01 -0.12 -4.87 117.44 111.87 3b8f n TRP 99 Ca 0.30 -0.20 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 3b8f n TRP 99 Cb 0.96 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.26 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 1.31 1.49 0.00 6.99 0.00 -0.29 -4.69 105.19 110.00 3b8f n GLY 100 Ca 0.18 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 1.48 0.10 0.00 1.61 -0.04 -1.26 -3.21 135.00 133.67 3b8f n PRO 101 Ca 0.00 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 3b8f n PRO 101 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.42 2.21 -1.67 0.54 -0.58 -1.26 -1.30 120.64 117.16 3b8f n GLU 102 Ca 0.06 -1.77 -0.46 0.00 -0.42 0.00 0.00 57.16 54.57 3b8f n GLU 102 Cb 0.19 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.15 0.57 -3.57 2.62 0.31 -1.20 -4.69 118.33 113.52 3b8f n VAL 103 Ca 0.15 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3b8f n VAL 103 Cb 0.56 -1.46 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.09 4.13 -0.08 5.55 -1.52 -0.08 -0.54 119.66 127.21 3b8f s GLN 104 Ca 0.73 -0.09 0.05 0.00 -1.95 0.00 0.00 55.36 54.09 3b8f s GLN 104 Cb -0.67 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 28.59 3b8f s GLN 104 CO 0.45 0.07 -0.23 0.00 -0.25 0.00 0.00 175.29 175.33 3b8f s ALA 106 N 0.01 3.54 0.05 0.00 0.00 -0.70 -1.27 121.76 123.39 3b8f s ALA 106 Ca -0.08 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.65 3b8f s ALA 106 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3b8f s ALA 106 CO 0.05 -0.85 0.14 0.96 0.00 0.00 0.00 175.76 176.07 3b8f s ILE 107 N 2.33 4.99 0.30 0.00 -4.36 -0.71 -4.01 121.20 119.74 3b8f s ILE 107 Ca 0.60 -0.52 -0.30 0.00 -0.26 0.00 0.00 60.65 60.18 3b8f s ILE 107 Cb -0.28 -3.40 -0.11 0.00 1.25 0.00 0.00 42.46 39.92 3b8f s ILE 107 CO 0.24 0.17 1.57 -0.89 0.24 0.00 0.00 174.94 176.28 3b8f s THR 108 N -1.41 2.09 -0.13 8.37 2.01 -1.26 -4.66 115.64 120.65 3b8f s THR 108 Ca 0.31 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 3b8f s THR 108 Cb -0.13 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.42 3b8f s THR 108 CO 0.23 0.01 0.76 0.54 -0.69 0.00 0.00 174.62 175.48 3b8f s ASN 109 N 0.38 -0.62 0.51 3.53 4.22 -1.26 -4.96 114.94 116.74 3b8f s ASN 109 Ca 0.61 0.84 0.23 0.00 -2.14 0.00 0.00 52.86 52.40 3b8f s ASN 109 Cb -0.47 0.73 1.33 0.00 1.28 0.00 0.00 41.25 44.11 3b8f s ASN 109 CO 0.50 -0.46 1.98 0.00 -2.04 0.00 0.00 177.10 177.08 3b8f h ALA 110 N 3.44 2.43 -0.01 3.54 0.00 -1.97 -0.74 119.26 125.95 3b8f h ALA 110 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3b8f h ALA 110 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3b8f h ALA 110 CO 0.29 -0.60 -0.25 1.63 0.00 0.00 0.00 179.25 180.32 3b8f n LYS 111 N -4.39 0.74 -2.24 0.00 5.02 -1.26 -4.94 118.16 111.08 3b8f n LYS 111 Ca 0.11 -0.40 -0.20 0.00 -2.02 0.00 0.00 58.31 55.80 3b8f n LYS 111 Cb 0.60 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.78 -1.68 -1.39 1.97 1.13 -0.29 -4.99 117.38 111.35 3b8f n GLN 112 Ca 0.12 1.02 -0.32 0.00 -1.94 0.00 0.00 57.00 55.88 3b8f n GLN 112 Cb 0.34 -5.63 0.08 0.00 0.11 0.00 0.00 30.24 25.14 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 -2.18 4.53 -0.49 1.08 1.01 -1.26 -4.86 116.67 114.50 3b8f s ASP 113 Ca 0.00 1.97 -0.19 0.00 0.71 0.00 0.00 52.55 55.04 3b8f s ASP 113 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 3b8f s ASP 113 CO 0.00 -2.02 0.60 -0.63 0.21 0.00 0.00 175.17 173.33 3b8f s ILE 114 N -2.60 4.91 -0.20 0.77 -1.09 -1.26 -4.85 121.20 116.89 3b8f s ILE 114 Ca 0.65 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 3b8f s ILE 114 Cb -0.20 -4.26 0.05 0.00 -1.58 0.00 0.00 42.46 36.47 3b8f s ILE 114 CO 0.50 -0.75 -0.06 -0.63 -1.23 0.00 0.00 174.94 172.77 3b8f s ILE 115 N 2.55 1.38 -0.06 2.92 1.01 -1.26 -5.05 121.20 122.68 3b8f s ILE 115 Ca 0.15 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 3b8f s ILE 115 Cb -0.19 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3b8f s ILE 115 CO 0.12 0.05 0.41 -0.36 0.00 0.00 0.00 174.94 175.17 3b8f s PHE 116 N 1.50 3.63 0.06 3.97 0.08 -1.26 -1.74 117.98 124.22 3b8f s PHE 116 Ca -0.02 0.91 0.04 0.00 0.12 0.00 0.00 56.93 57.99 3b8f s PHE 116 Cb -0.17 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 3b8f s PHE 116 CO -0.07 0.45 -0.13 0.15 -0.10 0.00 0.00 175.22 175.52 3b8f s LYS 117 N -0.37 0.78 0.60 0.44 1.02 -0.40 -4.88 119.74 116.93 3b8f s LYS 117 Ca 0.23 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 55.21 3b8f s LYS 117 Cb -0.16 -0.74 -0.03 0.00 -0.52 0.00 0.00 37.83 36.38 3b8f s LYS 117 CO 0.11 0.17 1.07 -1.25 -0.92 0.00 0.00 175.35 174.53 3b8f s PRO 118 N -1.53 3.23 0.37 -1.68 0.04 -1.26 -0.56 135.00 133.61 3b8f s PRO 118 Ca -0.03 1.28 0.16 0.00 0.04 0.00 0.00 61.00 62.46 3b8f s PRO 118 Cb -0.09 -2.02 1.04 0.00 0.04 0.00 0.00 34.50 33.47 3b8f s PRO 118 CO 0.02 -0.89 1.75 -0.07 0.04 0.00 0.00 177.00 177.85 3b8f h LEU 119 N 0.47 0.51 -2.43 -3.56 3.38 -0.37 0.29 115.31 113.60 3b8f h LEU 119 Ca -0.47 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3b8f h LEU 119 Cb 1.23 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3b8f h LEU 119 CO 0.57 0.08 -0.03 0.07 0.09 0.00 0.00 178.44 179.22 3b8f h LYS 120 N 0.45 0.00 0.00 1.13 2.10 -1.48 -0.72 116.57 118.05 3b8f h LYS 120 Ca 0.62 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.14 3b8f h LYS 120 Cb 1.45 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.76 3b8f h LYS 120 CO -0.36 0.03 -1.08 0.93 -2.00 0.00 0.00 179.45 176.97 3b8f h GLU 121 N 0.00 0.00 -0.11 0.07 5.08 -0.71 -3.04 114.58 115.87 3b8f h GLU 121 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3b8f h GLU 121 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3b8f h GLU 121 CO 0.00 0.30 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.62 3b8f h LEU 122 N 0.00 0.44 -6.63 1.33 4.07 -1.08 -3.37 115.31 110.07 3b8f h LEU 122 Ca -0.10 -0.26 -0.60 0.00 0.08 0.00 0.00 57.88 57.00 3b8f h LEU 122 Cb 1.44 -0.13 -0.41 0.00 1.08 0.00 0.00 40.66 42.64 3b8f h LEU 122 CO 0.04 0.96 -0.73 0.00 -1.08 0.00 0.00 178.44 177.63 3b8f n GLN 123 N -3.89 1.46 0.00 1.13 1.13 -0.36 -4.99 117.38 111.86 3b8f n GLN 123 Ca -0.03 -4.08 0.05 0.00 -1.94 0.00 0.00 57.00 51.00 3b8f n GLN 123 Cb 0.64 -2.02 0.21 0.00 0.11 0.00 0.00 30.24 29.18 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 1.90 0.00 -1.20 -1.09 -0.04 -1.15 -2.45 135.00 130.97 3b8f n PRO 124 Ca 0.24 0.33 -0.04 0.00 -0.04 0.00 0.00 63.50 64.00 3b8f n PRO 124 Cb 0.41 -1.50 0.13 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 -1.50 0.89 -1.81 0.54 4.01 -1.26 -5.05 117.16 112.98 3b8f n TYR 125 Ca 0.02 -1.66 -0.41 0.00 -0.16 0.00 0.00 57.90 55.69 3b8f n TYR 125 Cb 0.12 -0.27 -0.00 0.00 -0.31 0.00 0.00 39.34 38.88 3b8f n TYR 125 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3b8f s HIS 126 N -3.10 2.59 0.56 -0.72 2.46 -1.02 -4.86 115.29 111.19 3b8f s HIS 126 Ca 0.41 1.17 0.25 0.00 0.47 0.00 0.00 55.06 57.36 3b8f s HIS 126 Cb 0.38 -4.02 1.59 0.00 -0.13 0.00 0.00 32.58 30.41 3b8f s HIS 126 CO -0.04 -2.98 2.19 0.11 -2.47 0.00 0.00 174.74 171.54 3b8f h TRP 127 N 2.99 0.00 -0.08 3.88 5.08 -1.98 -2.59 115.95 123.25 3b8f h TRP 127 Ca -0.51 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.48 3b8f h TRP 127 Cb 1.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3b8f h TRP 127 CO 0.53 0.00 0.13 1.79 -1.28 0.00 0.00 178.44 179.61 3b8f h THR 128 N 0.00 0.30 0.00 0.12 1.35 -1.97 -0.83 112.91 111.89 3b8f h THR 128 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3b8f h THR 128 Cb 0.10 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3b8f h THR 128 CO -0.00 0.00 -0.00 -0.08 -0.25 0.00 0.00 175.52 175.19 3b8f h GLU 129 N 0.00 0.00 0.00 4.72 4.57 -1.83 -0.43 114.58 121.61 3b8f h GLU 129 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3b8f h GLU 129 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3b8f h GLU 129 CO -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 3b8f h ALA 130 N 2.00 1.00 -0.80 2.92 0.00 -1.38 -3.12 119.26 119.88 3b8f h ALA 130 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3b8f h ALA 130 Cb 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 3b8f h ALA 130 CO 0.00 0.00 -0.89 0.66 0.00 0.00 0.00 179.25 179.02 3b8f n TYR 131 N -2.72 2.46 0.19 0.00 4.01 -0.18 -4.97 117.16 115.95 3b8f n TYR 131 Ca -0.00 -2.35 -0.15 0.00 -0.16 0.00 0.00 57.90 55.24 3b8f n TYR 131 Cb 0.19 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 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 2.36 -1.13 -0.74 -0.72 2.76 -1.49 -0.54 115.15 115.66 3b8f h HIS 132 Ca 0.23 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 3b8f h HIS 132 Cb 1.39 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 30.76 3b8f h HIS 132 CO 0.76 -0.54 0.46 -0.44 -1.30 0.00 0.00 177.93 176.88 3b8f h ASP 133 N -0.74 0.76 -0.81 3.26 3.32 -1.90 0.38 116.42 120.68 3b8f h ASP 133 Ca -0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3b8f h ASP 133 Cb 0.71 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3b8f h ASP 133 CO -0.15 0.53 0.42 -0.08 -1.72 0.00 0.00 179.24 178.24 3b8f h GLU 134 N 0.91 1.15 -0.03 3.56 4.81 -1.83 -2.32 114.58 120.83 3b8f h GLU 134 Ca 0.30 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 3b8f h GLU 134 Cb 0.02 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.20 3b8f h GLU 134 CO -0.11 0.87 -0.61 0.52 -0.73 0.00 0.00 179.01 178.95 3b8f h MET 135 N 1.14 0.46 -0.98 1.92 2.86 -0.46 -1.96 114.93 117.90 3b8f h MET 135 Ca 0.28 -0.46 0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3b8f h MET 135 Cb 0.08 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.79 3b8f h MET 135 CO -0.04 1.11 0.63 -0.39 1.06 0.00 0.00 176.91 179.28 3b8f h VAL 136 N -0.01 1.01 0.51 -2.22 -1.51 -0.97 0.13 116.25 113.18 3b8f h VAL 136 Ca -0.07 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.02 3b8f h VAL 136 Cb 1.30 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 3b8f h VAL 136 CO 0.12 0.19 -0.35 0.50 -1.23 0.00 0.00 177.57 176.80 3b8f h LYS 137 N 1.06 -0.80 -0.43 5.19 3.64 -1.39 -1.23 116.57 122.62 3b8f h LYS 137 Ca 0.45 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.98 3b8f h LYS 137 Cb 0.32 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 3b8f h LYS 137 CO -0.21 -0.54 -0.19 0.93 -2.27 0.00 0.00 179.45 177.18 3b8f h GLU 138 N -0.83 -0.10 0.00 1.90 4.39 -0.79 -2.72 114.58 116.42 3b8f h GLU 138 Ca -0.06 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3b8f h GLU 138 Cb 0.70 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3b8f h GLU 138 CO 0.03 -0.07 -0.36 -1.49 -1.16 0.00 0.00 179.01 175.96 3b8f h TRP 139 N -0.11 0.00 0.00 4.33 6.55 -0.67 -1.94 115.95 124.12 3b8f h TRP 139 Ca 0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.05 3b8f h TRP 139 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 3b8f h TRP 139 CO -0.44 0.36 0.00 -1.13 -1.05 0.00 0.00 178.44 176.17 3b8f n SER 140 N -4.11 0.00 -0.41 -3.49 3.41 -0.47 -4.97 113.62 103.57 3b8f n SER 140 Ca -0.02 -0.07 0.05 0.00 -0.26 0.00 0.00 58.87 58.58 3b8f n SER 140 Cb 0.39 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3b8f n SER 140 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23