#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6f s VAL 2 N 0.00 -0.00 -0.04 1.61 1.01 -1.26 -4.27 120.40 117.45 1b6f s VAL 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1b6f s VAL 2 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1b6f s VAL 2 CO 0.00 0.00 0.37 -0.36 0.00 0.00 0.00 175.10 175.11 1b6f s PHE 3 N 0.17 3.68 -0.06 5.22 0.08 0.13 -4.90 117.98 122.29 1b6f s PHE 3 Ca -0.00 0.89 0.05 0.00 0.12 0.00 0.00 56.93 57.99 1b6f s PHE 3 Cb -0.02 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1b6f s PHE 3 CO 0.00 0.60 -0.20 1.21 -0.10 0.00 0.00 175.22 176.73 1b6f s ASN 4 N -0.84 3.54 -0.37 1.36 2.47 -1.26 0.72 114.94 120.55 1b6f s ASN 4 Ca 0.22 -0.37 0.12 0.00 0.42 0.00 0.00 52.86 53.26 1b6f s ASN 4 Cb -0.16 -0.86 0.36 0.00 -1.45 0.00 0.00 41.25 39.14 1b6f s ASN 4 CO 0.11 0.28 0.77 -1.22 -3.72 0.00 0.00 177.10 173.32 1b6f n TYR 5 N 2.71 0.07 -3.25 0.43 4.01 0.26 -4.98 117.16 116.41 1b6f n TYR 5 Ca -0.17 -3.65 -0.37 0.00 -0.16 0.00 0.00 57.90 53.55 1b6f n TYR 5 Cb 0.52 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1b6f n TYR 5 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1b6f s GLU 6 N -2.32 4.15 0.34 -0.72 -1.05 -1.26 -3.13 118.70 114.71 1b6f s GLU 6 Ca 0.38 0.70 -0.01 0.00 -0.15 0.00 0.00 54.97 55.90 1b6f s GLU 6 Cb 0.35 -3.04 -0.00 0.00 -0.44 0.00 0.00 34.13 31.00 1b6f s GLU 6 CO -0.07 0.52 0.43 0.95 0.95 0.00 0.00 175.26 178.04 1b6f s THR 7 N -1.34 0.00 -0.10 1.83 -4.23 0.46 -4.93 115.64 107.33 1b6f s THR 7 Ca 0.36 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.05 1b6f s THR 7 Cb -0.17 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1b6f s THR 7 CO 0.20 0.00 0.37 -1.83 -0.54 0.00 0.00 174.62 172.82 1b6f s GLU 8 N -3.14 0.53 0.21 3.99 4.04 -1.26 0.22 118.70 123.29 1b6f s GLU 8 Ca 0.33 0.32 0.02 0.00 0.04 0.00 0.00 54.97 55.67 1b6f s GLU 8 Cb 0.00 0.25 -0.01 0.00 0.02 0.00 0.00 34.13 34.39 1b6f s GLU 8 CO 0.22 -0.10 0.07 2.41 -1.84 0.00 0.00 175.26 176.02 1b6f n THR 9 N 2.36 0.00 -4.46 1.83 -1.04 -0.23 -4.97 114.28 107.76 1b6f n THR 9 Ca -0.16 -1.19 -0.24 0.00 -2.04 0.00 0.00 64.05 60.42 1b6f n THR 9 Cb 0.57 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.40 1b6f n THR 9 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1b6f s THR 10 N -2.29 2.47 -0.20 12.58 -4.23 -1.26 -1.90 115.64 120.81 1b6f s THR 10 Ca 0.10 -2.37 -0.15 0.00 -1.18 0.00 0.00 61.69 58.09 1b6f s THR 10 Cb 0.00 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.62 1b6f s THR 10 CO 0.07 -0.37 0.51 -0.94 -0.54 0.00 0.00 174.62 173.35 1b6f s SER 11 N -3.43 -0.59 0.11 3.99 1.04 -0.33 -4.92 113.70 109.57 1b6f s SER 11 Ca 0.29 1.06 0.27 0.00 0.48 0.00 0.00 55.95 58.06 1b6f s SER 11 Cb -0.05 1.01 1.00 0.00 0.10 0.00 0.00 66.02 68.09 1b6f s SER 11 CO 0.15 -0.19 1.84 1.33 0.98 0.00 0.00 173.24 177.35 1b6f n VAL 12 N 3.46 0.33 -2.30 5.02 0.24 -1.26 0.60 118.33 124.42 1b6f n VAL 12 Ca -0.17 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.63 1b6f n VAL 12 Cb 0.56 -0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 32.38 1b6f n VAL 12 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1b6f s ILE 13 N -3.06 3.36 0.61 1.34 -1.09 -1.26 -4.19 121.20 116.91 1b6f s ILE 13 Ca 0.12 0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 59.19 1b6f s ILE 13 Cb 0.15 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 1b6f s ILE 13 CO 0.56 -0.20 1.20 -2.16 -1.23 0.00 0.00 174.94 173.11 1b6f s PRO 14 N -3.34 2.88 0.26 2.79 0.04 -1.26 -3.03 135.00 133.34 1b6f s PRO 14 Ca 0.71 1.79 0.10 0.00 0.04 0.00 0.00 61.00 63.64 1b6f s PRO 14 Cb -0.21 -1.92 0.31 0.00 0.04 0.00 0.00 34.50 32.71 1b6f s PRO 14 CO 0.26 -1.27 1.58 0.00 0.04 0.00 0.00 177.00 177.61 1b6f h ALA 15 N 0.71 0.92 0.12 8.56 0.00 -1.87 -0.79 119.26 126.91 1b6f h ALA 15 Ca -0.50 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 1b6f h ALA 15 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b6f h ALA 15 CO 0.54 0.81 -0.06 0.00 0.00 0.00 0.00 179.25 180.55 1b6f h ALA 16 N 1.35 -0.17 -0.05 0.00 0.00 -1.91 -1.18 119.26 117.30 1b6f h ALA 16 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1b6f h ALA 16 Cb 1.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1b6f h ALA 16 CO 0.08 -0.24 -0.35 -0.09 0.00 0.00 0.00 179.25 178.66 1b6f h ARG 17 N -0.88 0.10 0.00 0.00 9.65 -1.96 -2.44 114.38 118.85 1b6f h ARG 17 Ca -0.02 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 1b6f h ARG 17 Cb 0.54 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1b6f h ARG 17 CO 0.03 0.44 -0.63 1.25 2.80 0.00 0.00 179.97 183.85 1b6f h LEU 18 N 0.09 0.00 0.30 3.80 5.85 -1.19 -2.62 115.31 121.54 1b6f h LEU 18 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1b6f h LEU 18 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1b6f h LEU 18 CO 0.05 0.63 -0.15 0.15 -0.34 0.00 0.00 178.44 178.79 1b6f h PHE 19 N 0.00 -0.38 -0.92 1.25 3.57 -0.75 -1.58 116.94 118.14 1b6f h PHE 19 Ca -0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1b6f h PHE 19 Cb 1.18 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.96 1b6f h PHE 19 CO 0.00 -0.07 0.55 0.87 -2.23 0.00 0.00 178.31 177.43 1b6f h LYS 20 N -0.99 0.84 -0.18 1.11 1.57 -1.56 0.68 116.57 118.04 1b6f h LYS 20 Ca -0.04 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1b6f h LYS 20 Cb 0.48 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1b6f h LYS 20 CO 0.07 0.55 -0.36 0.00 -0.57 0.00 0.00 179.45 179.14 1b6f h ALA 21 N 1.52 1.05 -0.00 3.86 0.00 -1.51 0.94 119.26 125.12 1b6f h ALA 21 Ca 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b6f h ALA 21 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1b6f h ALA 21 CO -0.28 0.59 -0.43 0.34 0.00 0.00 0.00 179.25 179.48 1b6f n PHE 22 N -4.06 0.00 0.03 0.00 7.35 -0.32 -1.14 117.46 119.32 1b6f n PHE 22 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1b6f n PHE 22 Cb 0.46 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.14 1b6f n PHE 22 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1b6f n ILE 23 N -1.00 0.71 0.19 -2.13 -0.00 0.22 -3.83 119.36 113.52 1b6f n ILE 23 Ca 0.09 0.24 0.07 0.00 -0.00 0.00 0.00 62.75 63.14 1b6f n ILE 23 Cb 0.35 -1.49 0.33 0.00 -0.00 0.00 0.00 39.64 38.83 1b6f n ILE 23 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1b6f h LEU 24 N 0.00 0.00 -2.22 1.39 3.38 0.70 -3.27 115.31 115.28 1b6f h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b6f h LEU 24 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1b6f h LEU 24 CO 0.00 0.34 -0.11 -0.67 0.09 0.00 0.00 178.44 178.09 1b6f n ASP 25 N -3.45 1.08 -0.28 -0.43 -0.08 -0.05 -4.80 116.55 108.55 1b6f n ASP 25 Ca 0.00 -1.97 -0.02 0.00 -1.51 0.00 0.00 54.79 51.28 1b6f n ASP 25 Cb 0.51 -0.14 0.09 0.00 2.34 0.00 0.00 41.12 43.92 1b6f n ASP 25 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1b6f h GLY 26 N 0.00 1.12 2.00 0.27 0.00 -1.19 0.97 103.07 106.25 1b6f h GLY 26 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1b6f h GLY 26 CO 0.00 0.32 -0.18 -0.55 0.00 0.00 0.00 176.54 176.13 1b6f h ASP 27 N 0.96 0.00 0.13 0.19 3.32 -1.85 0.14 116.42 119.32 1b6f h ASP 27 Ca 0.31 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.00 1b6f h ASP 27 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1b6f h ASP 27 CO -0.11 0.18 -2.07 0.59 -1.72 0.00 0.00 179.24 176.12 1b6f n ASN 28 N -3.91 1.95 0.16 6.45 3.02 -0.33 -4.21 115.26 118.39 1b6f n ASN 28 Ca -0.02 0.16 0.03 0.00 -0.03 0.00 0.00 54.58 54.73 1b6f n ASN 28 Cb 0.27 -0.68 0.17 0.00 -0.61 0.00 0.00 39.78 38.93 1b6f n ASN 28 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1b6f h LEU 29 N 0.05 0.00 0.55 3.41 4.07 0.10 -3.25 115.31 120.24 1b6f h LEU 29 Ca -0.44 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 1b6f h LEU 29 Cb 2.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.74 1b6f h LEU 29 CO 0.06 0.48 -0.50 -0.26 -1.08 0.00 0.00 178.44 177.14 1b6f h PHE 30 N 0.00 -1.37 0.00 1.13 -1.00 -0.88 0.17 116.94 114.99 1b6f h PHE 30 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1b6f h PHE 30 Cb 1.18 0.52 0.00 0.00 3.61 0.00 0.00 35.95 41.26 1b6f h PHE 30 CO 0.00 -0.68 0.00 -0.35 -1.61 0.00 0.00 178.31 175.67 1b6f n PRO 31 N -5.57 0.57 -0.10 1.51 -0.04 -1.25 -1.19 135.00 128.93 1b6f n PRO 31 Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 1b6f n PRO 31 Cb 0.47 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1b6f n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b6f n LYS 32 N -0.98 0.42 0.02 0.54 4.76 -0.57 -4.07 118.16 118.27 1b6f n LYS 32 Ca 0.13 0.18 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1b6f n LYS 32 Cb 0.06 -1.21 0.31 0.00 -1.84 0.00 0.00 35.03 32.35 1b6f n LYS 32 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1b6f n VAL 33 N -3.93 0.09 -2.75 -0.18 0.24 0.49 -4.53 118.33 107.76 1b6f n VAL 33 Ca -0.37 -0.06 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 1b6f n VAL 33 Cb 0.74 -0.01 0.05 0.00 -1.47 0.00 0.00 33.84 33.15 1b6f n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b6f n ALA 34 N -1.58 -1.48 0.78 2.33 0.00 -0.33 -4.83 120.51 115.39 1b6f n ALA 34 Ca 0.05 -1.35 0.09 0.00 0.00 0.00 0.00 53.44 52.23 1b6f n ALA 34 Cb 0.36 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 18.87 1b6f n ALA 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b6f n PRO 35 N 1.81 0.19 0.13 0.00 -0.04 -1.22 -2.83 135.00 133.04 1b6f n PRO 35 Ca 0.10 0.14 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 1b6f n PRO 35 Cb 0.62 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.71 1b6f n PRO 35 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1b6f h GLN 36 N 0.00 0.00 0.00 0.54 4.20 -1.92 -3.34 115.11 114.59 1b6f h GLN 36 Ca 0.00 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1b6f h GLN 36 Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1b6f h GLN 36 CO 0.00 0.67 -1.12 0.00 -0.67 0.00 0.00 178.83 177.70 1b6f h ALA 37 N 1.33 0.22 -3.81 3.87 0.00 -1.88 -3.40 119.26 115.60 1b6f h ALA 37 Ca -0.01 -1.10 -0.68 0.00 0.00 0.00 0.00 54.91 53.12 1b6f h ALA 37 Cb 1.18 0.69 -0.20 0.00 0.00 0.00 0.00 17.79 19.45 1b6f h ALA 37 CO 0.09 0.65 -0.73 0.42 0.00 0.00 0.00 179.25 179.68 1b6f s ILE 38 N -2.34 3.39 -0.06 0.00 1.09 -1.23 -3.95 121.20 118.11 1b6f s ILE 38 Ca -0.27 -0.69 0.11 0.00 -1.10 0.00 0.00 60.65 58.71 1b6f s ILE 38 Cb 0.05 -2.39 -0.17 0.00 -1.06 0.00 0.00 42.46 38.89 1b6f s ILE 38 CO 0.54 0.53 0.26 -0.24 -0.10 0.00 0.00 174.94 175.94 1b6f n SER 39 N 2.04 2.28 -3.62 3.58 2.88 -0.47 -4.36 113.62 115.95 1b6f n SER 39 Ca -0.17 -0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.26 1b6f n SER 39 Cb 0.52 1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 65.44 1b6f n SER 39 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1b6f s SER 40 N -3.19 -0.22 0.03 -3.46 0.15 -1.25 -4.92 113.70 100.84 1b6f s SER 40 Ca -0.03 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 1b6f s SER 40 Cb 0.07 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1b6f s SER 40 CO 0.46 -0.63 0.21 0.68 1.20 0.00 0.00 173.24 175.17 1b6f s VAL 41 N -2.99 0.10 0.02 4.45 -7.23 -1.26 0.15 120.40 113.64 1b6f s VAL 41 Ca 0.09 -0.82 -0.19 0.00 -1.81 0.00 0.00 61.98 59.26 1b6f s VAL 41 Cb -0.00 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.12 1b6f s VAL 41 CO -0.04 -0.45 0.42 -1.61 -0.31 0.00 0.00 175.10 173.12 1b6f s GLU 42 N -2.37 0.88 -0.35 4.82 2.02 0.27 -4.90 118.70 119.07 1b6f s GLU 42 Ca -0.07 -0.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.57 1b6f s GLU 42 Cb -0.02 0.40 0.01 0.00 0.10 0.00 0.00 34.13 34.62 1b6f s GLU 42 CO -0.03 -0.29 0.20 -0.80 0.02 0.00 0.00 175.26 174.36 1b6f s ASN 43 N -1.74 5.72 0.03 -0.19 0.02 -1.26 0.25 114.94 117.77 1b6f s ASN 43 Ca -0.08 -0.78 -0.16 0.00 -1.02 0.00 0.00 52.86 50.83 1b6f s ASN 43 Cb -0.02 -2.04 -0.36 0.00 0.02 0.00 0.00 41.25 38.86 1b6f s ASN 43 CO 0.01 -0.31 0.99 0.40 0.02 0.00 0.00 177.10 178.21 1b6f h ILE 44 N 5.75 1.27 -3.02 0.60 2.04 -1.16 -3.47 117.51 119.53 1b6f h ILE 44 Ca -0.28 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 62.88 1b6f h ILE 44 Cb 1.12 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.24 1b6f h ILE 44 CO 0.65 0.81 0.00 1.21 0.00 0.00 0.00 178.15 180.83 1b6f n GLU 45 N -3.71 3.04 -2.74 2.37 0.00 -0.85 -4.94 120.64 113.81 1b6f n GLU 45 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.90 1b6f n GLU 45 Cb 1.11 0.00 0.09 0.00 0.00 0.00 0.00 31.44 32.63 1b6f n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b6f n GLY 46 N 5.00 0.72 0.00 8.31 0.00 -1.26 -4.75 105.19 113.20 1b6f n GLY 46 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1b6f n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b6f n ASN 47 N 0.33 3.39 -4.29 1.61 3.02 -1.26 -5.01 115.26 113.05 1b6f n ASN 47 Ca 0.06 -0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 1b6f n ASN 47 Cb 0.70 0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 40.56 1b6f n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b6f n GLY 48 N 1.75 -0.36 0.00 7.41 0.00 -1.26 -4.83 105.19 107.90 1b6f n GLY 48 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1b6f n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6f n GLY 49 N -1.55 3.93 3.56 -0.02 0.00 -1.26 -4.89 105.19 104.96 1b6f n GLY 49 Ca -0.02 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1b6f n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b6f s PRO 50 N 1.53 2.88 0.00 1.61 0.04 -1.26 -2.43 135.00 137.38 1b6f s PRO 50 Ca 0.00 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.28 1b6f s PRO 50 Cb 0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1b6f s PRO 50 CO 0.00 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.31 1b6f n GLY 51 N 6.57 0.20 3.70 0.56 0.00 -0.35 -4.90 105.19 110.97 1b6f n GLY 51 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1b6f n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6f s THR 52 N -0.31 2.64 0.03 2.61 2.01 -1.02 -4.58 115.64 117.02 1b6f s THR 52 Ca 0.00 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1b6f s THR 52 Cb 0.00 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1b6f s THR 52 CO 0.00 -0.27 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.97 1b6f s ILE 53 N -2.85 0.41 -0.18 1.82 1.01 -1.26 0.87 121.20 121.02 1b6f s ILE 53 Ca 0.64 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1b6f s ILE 53 Cb -0.19 -0.49 0.05 0.00 0.01 0.00 0.00 42.46 41.84 1b6f s ILE 53 CO 0.58 -0.37 0.54 -1.59 0.00 0.00 0.00 174.94 174.09 1b6f s LYS 54 N -1.42 0.68 -0.39 2.79 -2.85 -1.05 -0.58 119.74 116.92 1b6f s LYS 54 Ca -0.11 0.65 -0.21 0.00 -1.00 0.00 0.00 55.97 55.30 1b6f s LYS 54 Cb -0.09 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 1b6f s LYS 54 CO -0.00 -0.11 0.67 0.21 0.10 0.00 0.00 175.35 176.23 1b6f s LYS 55 N 0.04 3.56 -0.11 1.78 2.47 0.70 -2.85 119.74 125.33 1b6f s LYS 55 Ca -0.02 -0.03 -0.06 0.00 -1.56 0.00 0.00 55.97 54.30 1b6f s LYS 55 Cb -0.04 -3.86 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1b6f s LYS 55 CO 0.02 -0.86 0.11 0.42 0.16 0.00 0.00 175.35 175.20 1b6f s ILE 56 N 2.85 5.25 0.24 5.43 1.01 -0.81 0.94 121.20 136.12 1b6f s ILE 56 Ca 0.25 0.11 0.06 0.00 0.00 0.00 0.00 60.65 61.07 1b6f s ILE 56 Cb -0.14 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1b6f s ILE 56 CO 0.17 0.61 0.29 -0.55 0.00 0.00 0.00 174.94 175.46 1b6f s SER 57 N -0.98 5.97 -0.01 3.58 0.15 0.40 -0.58 113.70 122.23 1b6f s SER 57 Ca 0.15 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1b6f s SER 57 Cb -0.12 -1.66 0.01 0.00 -1.71 0.00 0.00 66.02 62.53 1b6f s SER 57 CO 0.04 -0.05 -0.03 -0.36 1.20 0.00 0.00 173.24 174.03 1b6f s PHE 58 N -2.04 0.39 0.06 3.44 0.40 -1.26 -1.37 117.98 117.60 1b6f s PHE 58 Ca 0.33 -0.07 -0.31 0.00 -0.60 0.00 0.00 56.93 56.29 1b6f s PHE 58 Cb -0.09 -0.31 -0.06 0.00 0.51 0.00 0.00 43.02 43.08 1b6f s PHE 58 CO 0.27 -0.05 1.25 -1.25 0.70 0.00 0.00 175.22 176.14 1b6f s PRO 59 N 0.22 4.40 0.00 0.24 0.04 -1.25 -4.24 135.00 134.40 1b6f s PRO 59 Ca -0.02 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1b6f s PRO 59 Cb -0.05 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1b6f s PRO 59 CO -0.00 -0.32 0.00 -1.91 0.04 0.00 0.00 177.00 174.81 1b6f n GLU 60 N 4.05 -0.73 -0.07 4.56 2.13 -1.26 -5.01 120.64 124.31 1b6f n GLU 60 Ca 0.10 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.01 1b6f n GLU 60 Cb 0.45 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.30 1b6f n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b6f n GLY 61 N -0.02 4.77 4.00 8.31 0.00 -1.26 -5.04 105.19 115.95 1b6f n GLY 61 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1b6f n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6f s PHE 62 N -2.77 1.48 0.32 1.61 0.40 -1.26 -4.99 117.98 112.77 1b6f s PHE 62 Ca 0.30 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 1b6f s PHE 62 Cb 0.27 -2.92 0.54 0.00 0.51 0.00 0.00 43.02 41.41 1b6f s PHE 62 CO 0.03 -1.70 1.74 -1.00 0.70 0.00 0.00 175.22 174.99 1b6f h PRO 63 N -0.49 0.18 -6.06 0.24 0.13 -2.05 -3.42 132.00 120.53 1b6f h PRO 63 Ca -0.35 -0.08 -0.68 0.00 -0.87 0.00 0.00 66.00 64.02 1b6f h PRO 63 Cb 1.27 -0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 1b6f h PRO 63 CO 0.39 0.54 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.87 1b6f s PHE 64 N -4.18 2.72 0.00 1.56 0.08 -1.26 -5.02 117.98 111.87 1b6f s PHE 64 Ca -0.04 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1b6f s PHE 64 Cb 0.14 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1b6f s PHE 64 CO 0.76 0.07 0.00 1.63 -0.10 0.00 0.00 175.22 177.58 1b6f n LYS 65 N 2.64 0.00 0.00 0.44 5.02 -1.26 -4.94 118.16 120.06 1b6f n LYS 65 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1b6f n LYS 65 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1b6f n LYS 65 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1b6f n TYR 66 N -1.10 -1.20 -3.66 2.13 4.11 -1.26 -4.09 117.16 112.08 1b6f n TYR 66 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1b6f n TYR 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1b6f n TYR 66 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1b6f s VAL 67 N -0.44 0.00 -0.10 -3.48 0.11 0.25 -4.31 120.40 112.43 1b6f s VAL 67 Ca 0.00 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1b6f s VAL 67 Cb 0.00 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 1b6f s VAL 67 CO 0.00 0.00 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.86 1b6f s LYS 68 N -2.02 3.09 -0.04 1.54 2.20 0.17 -1.92 119.74 122.75 1b6f s LYS 68 Ca 0.19 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1b6f s LYS 68 Cb 0.06 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1b6f s LYS 68 CO -0.06 0.30 -0.06 0.16 -0.36 0.00 0.00 175.35 175.33 1b6f s ASP 69 N 0.10 1.08 0.12 1.43 -4.77 -1.13 -0.77 116.67 112.72 1b6f s ASP 69 Ca -0.07 -0.16 -0.01 0.00 -3.30 0.00 0.00 52.55 49.00 1b6f s ASP 69 Cb -0.15 -0.48 -0.04 0.00 -1.09 0.00 0.00 42.92 41.16 1b6f s ASP 69 CO 0.05 -0.02 0.29 0.00 0.70 0.00 0.00 175.17 176.20 1b6f s ARG 70 N 0.72 3.50 0.37 2.11 1.70 0.03 -2.54 118.95 124.85 1b6f s ARG 70 Ca -0.11 -0.34 -0.24 0.00 -0.47 0.00 0.00 55.73 54.57 1b6f s ARG 70 Cb -0.13 -2.95 -0.10 0.00 -0.57 0.00 0.00 34.95 31.20 1b6f s ARG 70 CO 0.01 0.53 0.95 0.08 -1.08 0.00 0.00 175.30 175.78 1b6f s VAL 71 N -1.63 4.30 -0.13 4.99 1.01 0.25 0.22 120.40 129.40 1b6f s VAL 71 Ca 0.37 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 1b6f s VAL 71 Cb -0.12 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1b6f s VAL 71 CO 0.27 -0.08 -0.24 -0.67 0.00 0.00 0.00 175.10 174.39 1b6f n ASP 72 N -0.01 1.46 -3.66 3.32 -0.08 0.71 -1.21 116.55 117.08 1b6f n ASP 72 Ca 0.04 0.33 -0.06 0.00 -1.51 0.00 0.00 54.79 53.59 1b6f n ASP 72 Cb 0.52 -0.71 -0.08 0.00 2.34 0.00 0.00 41.12 43.20 1b6f n ASP 72 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1b6f s GLU 73 N -2.33 0.43 -0.00 -0.67 2.12 -0.52 -4.09 118.70 113.63 1b6f s GLU 73 Ca -0.19 1.18 0.06 0.00 0.36 0.00 0.00 54.97 56.38 1b6f s GLU 73 Cb 0.03 0.50 -0.03 0.00 0.26 0.00 0.00 34.13 34.89 1b6f s GLU 73 CO 0.29 -0.22 -0.18 0.08 -0.54 0.00 0.00 175.26 174.69 1b6f s VAL 74 N 2.61 2.77 -0.06 3.70 1.01 -1.26 0.06 120.40 129.23 1b6f s VAL 74 Ca -0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1b6f s VAL 74 Cb -0.12 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1b6f s VAL 74 CO -0.15 0.47 0.07 -1.81 0.00 0.00 0.00 175.10 173.67 1b6f s ASP 75 N -1.04 1.35 0.00 3.32 1.11 0.51 -4.78 116.67 117.14 1b6f s ASP 75 Ca 0.13 -0.04 0.27 0.00 0.18 0.00 0.00 52.55 53.08 1b6f s ASP 75 Cb -0.10 -0.16 1.45 0.00 1.07 0.00 0.00 42.92 45.18 1b6f s ASP 75 CO 0.02 -0.27 1.95 1.41 1.18 0.00 0.00 175.17 179.47 1b6f n HIS 76 N 5.30 0.02 -0.00 4.23 8.25 -1.26 -2.59 115.22 129.17 1b6f n HIS 76 Ca -0.04 -0.01 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1b6f n HIS 76 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1b6f n HIS 76 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1b6f n THR 77 N -0.63 0.01 -0.54 1.59 -1.04 -1.26 -4.68 114.28 107.73 1b6f n THR 77 Ca 0.20 -0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.25 1b6f n THR 77 Cb 0.16 -0.59 0.32 0.00 -1.82 0.00 0.00 70.33 68.40 1b6f n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1b6f n ASN 78 N -2.42 4.80 -3.93 8.00 5.03 -1.25 -4.93 115.26 120.55 1b6f n ASN 78 Ca -0.00 -2.77 -0.39 0.00 0.87 0.00 0.00 54.58 52.29 1b6f n ASN 78 Cb 0.50 -0.66 0.02 0.00 -1.02 0.00 0.00 39.78 38.63 1b6f n ASN 78 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1b6f n PHE 79 N 0.46 -1.60 -4.68 3.10 3.72 -1.18 -4.76 117.46 112.51 1b6f n PHE 79 Ca 0.23 0.30 -0.26 0.00 -0.05 0.00 0.00 57.45 57.67 1b6f n PHE 79 Cb 1.04 -3.11 -0.17 0.00 -0.94 0.00 0.00 39.48 36.30 1b6f n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1b6f s LYS 80 N -6.82 1.96 -0.34 -1.08 2.20 -1.07 -2.13 119.74 112.48 1b6f s LYS 80 Ca 0.42 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.55 1b6f s LYS 80 Cb -0.20 -1.59 0.15 0.00 -1.51 0.00 0.00 37.83 34.68 1b6f s LYS 80 CO 0.93 0.05 0.36 -0.47 -0.36 0.00 0.00 175.35 175.85 1b6f s TYR 81 N 0.64 -0.46 -0.09 4.03 5.04 0.68 0.19 117.35 127.39 1b6f s TYR 81 Ca -0.15 -0.48 -0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1b6f s TYR 81 Cb -0.16 -0.38 -0.03 0.00 0.35 0.00 0.00 41.96 41.74 1b6f s TYR 81 CO 0.04 -0.96 -0.06 -0.80 -1.34 0.00 0.00 175.55 172.43 1b6f s ASN 82 N 1.85 4.71 0.01 4.32 0.01 0.11 -0.62 114.94 125.32 1b6f s ASN 82 Ca 0.14 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.26 1b6f s ASN 82 Cb -0.14 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.18 1b6f s ASN 82 CO -0.15 0.32 -0.04 -0.72 -1.51 0.00 0.00 177.10 175.00 1b6f s TYR 83 N -0.56 0.33 0.43 2.20 1.13 0.15 0.26 117.35 121.28 1b6f s TYR 83 Ca 0.09 -0.21 0.08 0.00 -1.41 0.00 0.00 57.07 55.61 1b6f s TYR 83 Cb -0.12 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.52 1b6f s TYR 83 CO 0.02 -0.05 0.41 -1.12 -2.51 0.00 0.00 175.55 172.30 1b6f s SER 84 N -0.57 5.09 -0.18 -0.18 0.01 0.59 0.29 113.70 118.75 1b6f s SER 84 Ca -0.04 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.46 1b6f s SER 84 Cb -0.04 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 1b6f s SER 84 CO -0.00 -0.70 -0.07 -0.69 0.41 0.00 0.00 173.24 172.18 1b6f s VAL 85 N -2.48 3.36 0.00 3.43 1.01 0.16 -0.79 120.40 125.08 1b6f s VAL 85 Ca 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1b6f s VAL 85 Cb -0.04 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1b6f s VAL 85 CO 0.28 0.47 0.00 2.30 0.00 0.00 0.00 175.10 178.16 1b6f n ILE 86 N 4.11 0.00 -2.87 2.22 -5.35 0.05 -4.06 119.36 113.46 1b6f n ILE 86 Ca -0.18 0.06 -0.44 0.00 -0.27 0.00 0.00 62.75 61.92 1b6f n ILE 86 Cb 0.52 -0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 37.46 1b6f n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1b6f s GLU 87 N -0.71 3.81 -0.07 6.28 -6.30 -1.06 -4.79 118.70 115.86 1b6f s GLU 87 Ca 0.00 -2.01 -0.01 0.00 -2.50 0.00 0.00 54.97 50.45 1b6f s GLU 87 Cb 0.00 -5.07 -0.03 0.00 0.00 0.00 0.00 34.13 29.03 1b6f s GLU 87 CO 0.00 -1.86 0.02 0.20 0.02 0.00 0.00 175.26 173.64 1b6f s GLY 88 N 3.54 1.89 0.23 -1.50 0.00 -1.26 0.46 107.32 110.67 1b6f s GLY 88 Ca 0.39 -0.83 -0.15 0.00 0.00 0.00 0.00 44.72 44.14 1b6f s GLY 88 CO -0.05 -0.62 1.48 0.61 0.00 0.00 0.00 173.10 174.52 1b6f n GLY 89 N 1.91 -1.89 0.24 0.20 0.00 -1.26 0.15 105.19 104.54 1b6f n GLY 89 Ca -0.17 1.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.75 1b6f n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b6f h PRO 90 N 0.00 0.85 -6.85 1.61 0.13 -1.94 -3.44 132.00 122.35 1b6f h PRO 90 Ca 0.35 -0.56 -0.51 0.00 -0.87 0.00 0.00 66.00 64.41 1b6f h PRO 90 Cb 0.59 0.08 0.04 0.00 0.13 0.00 0.00 31.00 31.84 1b6f h PRO 90 CO -0.95 1.19 0.56 0.42 -0.23 0.00 0.00 178.00 178.99 1b6f s ILE 91 N -4.06 3.10 0.00 -3.56 1.01 0.12 -4.97 121.20 112.83 1b6f s ILE 91 Ca -0.11 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1b6f s ILE 91 Cb 0.10 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1b6f s ILE 91 CO 0.89 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.69 1b6f n GLY 92 N 0.97 0.32 0.00 6.18 0.00 -1.26 -4.00 105.19 107.40 1b6f n GLY 92 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b6f n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b6f n ASP 93 N -0.54 0.00 -0.16 1.61 9.92 -1.26 -4.91 116.55 121.22 1b6f n ASP 93 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1b6f n ASP 93 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1b6f n ASP 93 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1b6f n THR 94 N -0.67 0.00 -3.03 -3.53 5.66 -1.26 -5.02 114.28 106.43 1b6f n THR 94 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1b6f n THR 94 Cb 0.00 0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 69.36 1b6f n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1b6f s LEU 95 N 0.00 3.93 -1.43 1.09 1.02 -1.26 -4.02 118.68 118.01 1b6f s LEU 95 Ca 0.00 1.05 -0.05 0.00 0.02 0.00 0.00 54.13 55.15 1b6f s LEU 95 Cb 0.00 -3.90 0.01 0.00 0.02 0.00 0.00 46.19 42.31 1b6f s LEU 95 CO 0.00 -0.31 0.67 1.21 0.02 0.00 0.00 176.35 177.94 1b6f n GLU 96 N -1.01 -5.14 -1.23 1.70 2.13 0.17 -4.51 120.64 112.75 1b6f n GLU 96 Ca 0.02 0.84 -0.30 0.00 0.66 0.00 0.00 57.16 58.38 1b6f n GLU 96 Cb 0.54 -5.62 0.12 0.00 0.27 0.00 0.00 31.44 26.75 1b6f n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1b6f s LYS 97 N -5.74 1.74 -0.09 5.31 1.02 0.29 -4.62 119.74 117.66 1b6f s LYS 97 Ca 0.33 1.00 -0.06 0.00 0.02 0.00 0.00 55.97 57.26 1b6f s LYS 97 Cb -0.15 -1.85 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1b6f s LYS 97 CO 0.41 -1.95 0.22 0.42 -0.92 0.00 0.00 175.35 173.52 1b6f s ILE 98 N -2.92 -0.02 -0.20 2.17 1.01 -1.26 0.20 121.20 120.19 1b6f s ILE 98 Ca 0.62 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.35 1b6f s ILE 98 Cb -0.18 -0.32 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1b6f s ILE 98 CO 0.56 0.03 -0.16 -0.44 0.00 0.00 0.00 174.94 174.93 1b6f s SER 99 N 0.56 3.39 -0.09 3.58 0.01 0.04 -0.67 113.70 120.53 1b6f s SER 99 Ca -0.04 -0.82 -0.05 0.00 1.31 0.00 0.00 55.95 56.35 1b6f s SER 99 Cb -0.05 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 1b6f s SER 99 CO -0.03 -0.06 0.12 0.20 0.41 0.00 0.00 173.24 173.88 1b6f s ASN 100 N 1.28 6.16 -0.04 2.44 -0.87 0.14 -0.51 114.94 123.55 1b6f s ASN 100 Ca 0.01 0.38 0.02 0.00 -1.57 0.00 0.00 52.86 51.70 1b6f s ASN 100 Cb -0.15 -1.94 0.01 0.00 -0.02 0.00 0.00 41.25 39.16 1b6f s ASN 100 CO -0.11 0.37 -0.09 -1.61 -2.57 0.00 0.00 177.10 173.09 1b6f s GLU 101 N -1.19 1.23 -0.11 -0.60 8.01 0.47 0.32 118.70 126.83 1b6f s GLU 101 Ca 0.17 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 54.85 1b6f s GLU 101 Cb -0.12 -1.09 0.02 0.00 -4.31 0.00 0.00 34.13 28.62 1b6f s GLU 101 CO 0.07 0.05 -0.13 0.42 0.01 0.00 0.00 175.26 175.67 1b6f s ILE 102 N 0.51 1.36 -0.08 -1.63 1.01 0.21 0.58 121.20 123.16 1b6f s ILE 102 Ca -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1b6f s ILE 102 Cb -0.13 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1b6f s ILE 102 CO 0.02 0.42 -0.11 -0.54 0.00 0.00 0.00 174.94 174.73 1b6f s LYS 103 N 1.14 1.63 -0.15 2.79 1.02 -0.85 -0.23 119.74 125.09 1b6f s LYS 103 Ca -0.04 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1b6f s LYS 103 Cb -0.14 -1.44 -0.00 0.00 -0.52 0.00 0.00 37.83 35.73 1b6f s LYS 103 CO -0.03 -0.06 -0.16 0.42 -0.92 0.00 0.00 175.35 174.60 1b6f s ILE 104 N 0.96 2.60 -0.03 2.17 1.01 -0.90 -0.28 121.20 126.72 1b6f s ILE 104 Ca -0.09 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1b6f s ILE 104 Cb -0.15 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1b6f s ILE 104 CO 0.00 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.61 1b6f s VAL 105 N 0.81 1.30 0.16 2.92 1.01 -0.67 -4.60 120.40 121.33 1b6f s VAL 105 Ca -0.06 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1b6f s VAL 105 Cb -0.15 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1b6f s VAL 105 CO -0.00 0.38 0.63 0.00 0.00 0.00 0.00 175.10 176.10 1b6f s ALA 106 N -0.04 3.51 0.86 5.51 0.00 -1.26 0.15 121.76 130.49 1b6f s ALA 106 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1b6f s ALA 106 Cb -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1b6f s ALA 106 CO 0.01 0.39 0.00 0.25 0.00 0.00 0.00 175.76 176.41 1b6f n THR 107 N 1.00 0.00 0.10 0.00 -2.24 0.80 -4.85 114.28 109.07 1b6f n THR 107 Ca -0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1b6f n THR 107 Cb 0.51 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.86 1b6f n THR 107 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1b6f h PRO 108 N 0.00 0.00 0.00 -0.78 0.13 -1.98 -3.43 132.00 125.93 1b6f h PRO 108 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b6f h PRO 108 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b6f h PRO 108 CO 0.00 0.80 0.00 -3.47 -0.23 0.00 0.00 178.00 175.10 1b6f n ASP 109 N -3.39 0.00 -1.17 1.44 2.03 -1.26 -5.01 116.55 109.19 1b6f n ASP 109 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1b6f n ASP 109 Cb 0.83 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.27 1b6f n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b6f n GLY 110 N 0.00 1.53 0.00 0.27 0.00 -1.26 -5.12 105.19 100.60 1b6f n GLY 110 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1b6f n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6f n GLY 111 N 0.16 -0.90 3.18 -0.02 0.00 -1.26 -4.52 105.19 101.82 1b6f n GLY 111 Ca 0.07 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1b6f n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b6f s SER 112 N -4.00 1.43 -0.23 1.61 1.04 0.20 -0.14 113.70 113.60 1b6f s SER 112 Ca 0.00 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 1b6f s SER 112 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1b6f s SER 112 CO 0.00 -0.29 0.00 -0.51 0.98 0.00 0.00 173.24 173.43 1b6f s ILE 113 N -2.60 3.74 -0.25 -1.02 2.07 0.38 -1.19 121.20 122.34 1b6f s ILE 113 Ca 0.06 -0.37 -0.10 0.00 -1.41 0.00 0.00 60.65 58.84 1b6f s ILE 113 Cb -0.02 -2.72 -0.05 0.00 0.13 0.00 0.00 42.46 39.80 1b6f s ILE 113 CO -0.00 0.39 0.15 -1.48 -1.91 0.00 0.00 174.94 172.08 1b6f s LEU 114 N 1.52 3.93 -0.38 8.50 2.34 -0.80 -1.66 118.68 132.12 1b6f s LEU 114 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 54.13 54.12 1b6f s LEU 114 Cb -0.15 -2.07 0.02 0.00 -0.56 0.00 0.00 46.19 43.44 1b6f s LEU 114 CO -0.01 0.01 0.24 -0.54 -1.06 0.00 0.00 176.35 175.00 1b6f s LYS 115 N 1.39 2.99 -0.06 1.48 1.02 0.62 -1.07 119.74 126.11 1b6f s LYS 115 Ca 0.07 -0.98 -0.10 0.00 0.02 0.00 0.00 55.97 54.97 1b6f s LYS 115 Cb -0.15 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.29 1b6f s LYS 115 CO 0.07 -0.67 0.25 0.42 -0.92 0.00 0.00 175.35 174.50 1b6f s ILE 116 N 1.63 5.31 -0.16 2.17 1.01 0.59 -2.02 121.20 129.73 1b6f s ILE 116 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1b6f s ILE 116 Cb -0.19 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1b6f s ILE 116 CO 0.08 0.59 -0.11 -0.44 0.00 0.00 0.00 174.94 175.06 1b6f s SER 117 N -1.09 2.80 -0.14 3.58 0.01 0.20 0.17 113.70 119.23 1b6f s SER 117 Ca 0.19 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1b6f s SER 117 Cb -0.14 -1.10 0.01 0.00 0.21 0.00 0.00 66.02 65.00 1b6f s SER 117 CO 0.08 -0.11 -0.22 0.21 0.41 0.00 0.00 173.24 173.62 1b6f s ASN 118 N 1.52 3.13 -0.05 2.44 3.04 -1.18 0.18 114.94 124.01 1b6f s ASN 118 Ca 0.03 -0.60 0.05 0.00 0.04 0.00 0.00 52.86 52.38 1b6f s ASN 118 Cb -0.14 -1.45 -0.02 0.00 -1.54 0.00 0.00 41.25 38.10 1b6f s ASN 118 CO -0.09 0.09 -0.18 -0.54 -3.04 0.00 0.00 177.10 173.33 1b6f s LYS 119 N 0.78 2.52 -0.18 0.43 1.02 0.34 0.89 119.74 125.54 1b6f s LYS 119 Ca -0.08 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 1b6f s LYS 119 Cb -0.16 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1b6f s LYS 119 CO -0.01 0.53 -0.08 -0.47 -0.92 0.00 0.00 175.35 174.40 1b6f s TYR 120 N -0.50 2.90 -0.33 3.18 6.14 0.22 -0.78 117.35 128.19 1b6f s TYR 120 Ca 0.06 -0.80 -0.09 0.00 0.64 0.00 0.00 57.07 56.89 1b6f s TYR 120 Cb -0.12 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.29 1b6f s TYR 120 CO 0.01 -0.38 0.14 -1.01 0.64 0.00 0.00 175.55 174.95 1b6f s HIS 121 N 0.93 3.20 0.34 4.97 3.76 0.53 0.18 115.29 129.20 1b6f s HIS 121 Ca -0.01 -0.91 0.07 0.00 -0.15 0.00 0.00 55.06 54.06 1b6f s HIS 121 Cb -0.15 -2.34 -0.07 0.00 1.11 0.00 0.00 32.58 31.14 1b6f s HIS 121 CO 0.00 -0.58 -0.03 0.95 -0.85 0.00 0.00 174.74 174.23 1b6f s THR 122 N 1.54 1.87 0.16 1.30 -4.23 -1.26 0.11 115.64 115.13 1b6f s THR 122 Ca 0.02 -2.10 0.05 0.00 -1.18 0.00 0.00 61.69 58.48 1b6f s THR 122 Cb -0.18 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1b6f s THR 122 CO 0.05 -0.14 0.17 -0.54 -0.54 0.00 0.00 174.62 173.62 1b6f s LYS 123 N -3.71 3.01 0.58 3.99 -0.14 -1.25 -4.80 119.74 117.43 1b6f s LYS 123 Ca 0.33 -0.82 0.34 0.00 -1.36 0.00 0.00 55.97 54.46 1b6f s LYS 123 Cb 0.06 -2.71 1.30 0.00 -1.68 0.00 0.00 37.83 34.80 1b6f s LYS 123 CO 0.16 0.49 1.56 0.78 -0.76 0.00 0.00 175.35 177.57 1b6f h GLY 124 N 2.32 0.00 0.10 -3.33 0.00 -2.01 -1.57 103.07 98.58 1b6f h GLY 124 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1b6f h GLY 124 CO 0.64 0.00 -0.05 -0.55 0.00 0.00 0.00 176.54 176.58 1b6f h ASP 125 N 0.00 -0.11 -4.12 0.19 3.32 -2.06 -3.46 116.42 110.18 1b6f h ASP 125 Ca 0.54 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 57.13 1b6f h ASP 125 Cb 2.66 0.03 0.09 0.00 0.22 0.00 0.00 39.33 42.33 1b6f h ASP 125 CO -0.01 0.10 0.31 -1.00 -1.72 0.00 0.00 179.24 176.92 1b6f s HIS 126 N -1.93 2.91 0.00 4.55 3.76 -0.59 -5.10 115.29 118.89 1b6f s HIS 126 Ca -0.02 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1b6f s HIS 126 Cb 0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1b6f s HIS 126 CO 0.06 -1.58 0.00 -0.85 -0.85 0.00 0.00 174.74 171.51 1b6f n GLU 127 N -3.10 0.06 -3.91 1.40 0.28 -1.26 -3.85 120.64 110.26 1b6f n GLU 127 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.78 1b6f n GLU 127 Cb 0.61 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.35 1b6f n GLU 127 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b6f s VAL 128 N -1.68 2.80 0.17 3.84 1.01 -1.26 -4.96 120.40 120.31 1b6f s VAL 128 Ca 0.00 -3.43 -0.32 0.00 0.00 0.00 0.00 61.98 58.23 1b6f s VAL 128 Cb 0.00 -2.91 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 1b6f s VAL 128 CO 0.00 -0.84 1.78 0.29 0.00 0.00 0.00 175.10 176.32 1b6f n LYS 129 N 2.97 2.78 -0.30 2.72 4.76 -1.26 -4.84 118.16 125.00 1b6f n LYS 129 Ca 0.08 1.01 0.12 0.00 -2.87 0.00 0.00 58.31 56.64 1b6f n LYS 129 Cb 0.33 -2.88 0.26 0.00 -1.84 0.00 0.00 35.03 30.91 1b6f n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b6f h ALA 130 N 7.59 1.16 -0.93 7.82 0.00 -1.98 -1.23 119.26 131.69 1b6f h ALA 130 Ca -0.45 0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1b6f h ALA 130 Cb 1.21 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.27 1b6f h ALA 130 CO 0.95 -0.48 -0.52 0.39 0.00 0.00 0.00 179.25 179.59 1b6f n GLU 131 N -5.29 -0.38 0.26 0.00 -0.58 -1.26 0.26 120.64 113.64 1b6f n GLU 131 Ca 0.20 1.41 0.09 0.00 -0.42 0.00 0.00 57.16 58.44 1b6f n GLU 131 Cb 0.66 -2.08 0.67 0.00 -0.57 0.00 0.00 31.44 30.12 1b6f n GLU 131 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1b6f h GLN 132 N 0.00 0.00 0.01 3.49 7.50 -1.59 0.31 115.11 124.82 1b6f h GLN 132 Ca 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.31 1b6f h GLN 132 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1b6f h GLN 132 CO -0.88 0.03 -0.05 0.28 -1.50 0.00 0.00 178.83 176.71 1b6f h VAL 133 N 0.00 1.73 0.00 -0.54 2.07 0.37 -2.58 116.25 117.30 1b6f h VAL 133 Ca -0.00 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1b6f h VAL 133 Cb 0.06 3.22 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1b6f h VAL 133 CO 0.00 0.57 -0.09 0.11 0.02 0.00 0.00 177.57 178.19 1b6f h LYS 134 N -0.89 0.00 -0.06 1.57 1.57 0.39 -2.04 116.57 117.12 1b6f h LYS 134 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1b6f h LYS 134 Cb 0.97 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.29 1b6f h LYS 134 CO 0.01 0.09 -0.94 0.00 -0.57 0.00 0.00 179.45 178.04 1b6f h ALA 135 N 1.91 0.22 -0.25 3.86 0.00 -0.42 -0.35 119.26 124.23 1b6f h ALA 135 Ca -0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1b6f h ALA 135 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b6f h ALA 135 CO 0.01 0.70 -0.14 1.03 0.00 0.00 0.00 179.25 180.85 1b6f h SER 136 N 0.44 0.41 0.08 0.00 0.87 -0.96 -3.07 113.55 111.31 1b6f h SER 136 Ca -0.10 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 1b6f h SER 136 Cb 1.58 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1b6f h SER 136 CO 0.19 0.58 -0.55 0.11 -0.53 0.00 0.00 176.83 176.63 1b6f h LYS 137 N 0.39 0.23 -0.17 2.24 1.57 -1.39 -2.32 116.57 117.12 1b6f h LYS 137 Ca 0.07 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1b6f h LYS 137 Cb 0.48 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1b6f h LYS 137 CO 0.03 1.14 -0.15 0.93 -0.57 0.00 0.00 179.45 180.83 1b6f h GLU 138 N -0.50 -0.05 -0.01 3.15 5.08 -0.97 0.65 114.58 121.92 1b6f h GLU 138 Ca -0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1b6f h GLU 138 Cb 1.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1b6f h GLU 138 CO 0.10 -0.04 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.66 1b6f h LEU 139 N -0.06 0.02 0.37 1.33 4.07 -1.70 -3.10 115.31 116.24 1b6f h LEU 139 Ca 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1b6f h LEU 139 Cb 0.13 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1b6f h LEU 139 CO -0.19 0.37 -0.32 1.23 -1.08 0.00 0.00 178.44 178.45 1b6f h GLY 140 N 1.05 -1.03 0.40 0.83 0.00 -0.44 -0.58 103.07 103.31 1b6f h GLY 140 Ca -0.00 0.46 0.21 0.00 0.00 0.00 0.00 47.33 48.00 1b6f h GLY 140 CO 0.05 -0.33 0.57 -2.09 0.00 0.00 0.00 176.54 174.74 1b6f h GLU 141 N -0.67 0.17 0.00 4.80 4.81 -0.98 0.56 114.58 123.27 1b6f h GLU 141 Ca -0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1b6f h GLU 141 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1b6f h GLU 141 CO -0.01 0.11 -0.35 1.15 -0.73 0.00 0.00 179.01 179.18 1b6f h THR 142 N 0.18 0.98 0.01 0.32 2.02 -1.26 -0.80 112.91 114.36 1b6f h THR 142 Ca 0.41 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 1b6f h THR 142 Cb 1.33 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1b6f h THR 142 CO -0.08 0.35 -0.01 -0.07 0.37 0.00 0.00 175.52 176.08 1b6f h LEU 143 N 0.00 -0.01 -1.27 2.58 3.38 0.17 0.20 115.31 120.35 1b6f h LEU 143 Ca -0.00 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.30 1b6f h LEU 143 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1b6f h LEU 143 CO 0.05 0.59 -0.35 0.17 0.09 0.00 0.00 178.44 178.99 1b6f h LEU 144 N -0.62 0.00 0.05 1.67 8.10 -1.43 -2.53 115.31 120.54 1b6f h LEU 144 Ca -0.00 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.73 1b6f h LEU 144 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 1b6f h LEU 144 CO 0.00 0.35 -1.16 -0.09 -4.11 0.00 0.00 178.44 173.43 1b6f h ARG 145 N 0.00 0.26 -0.26 0.17 2.43 -1.11 -2.75 114.38 113.13 1b6f h ARG 145 Ca -0.00 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 1b6f h ARG 145 Cb 0.67 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1b6f h ARG 145 CO 0.05 1.17 -0.18 0.00 -1.51 0.00 0.00 179.97 179.50 1b6f h ALA 146 N 0.66 1.21 -0.02 2.80 0.00 -0.31 -2.67 119.26 120.94 1b6f h ALA 146 Ca -0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1b6f h ALA 146 Cb 1.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1b6f h ALA 146 CO 0.19 0.51 -0.18 0.28 0.00 0.00 0.00 179.25 180.05 1b6f h VAL 147 N 0.42 1.53 -0.95 0.00 2.07 -1.49 -2.58 116.25 115.25 1b6f h VAL 147 Ca 0.07 -1.80 0.19 0.00 0.82 0.00 0.00 66.70 65.99 1b6f h VAL 147 Cb 0.55 2.64 -0.11 0.00 -1.52 0.00 0.00 31.29 32.86 1b6f h VAL 147 CO 0.04 0.49 0.53 -0.08 0.02 0.00 0.00 177.57 178.57 1b6f h GLU 148 N -0.50 0.63 -0.15 1.57 4.81 -1.41 -0.09 114.58 119.44 1b6f h GLU 148 Ca -0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1b6f h GLU 148 Cb 0.89 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1b6f h GLU 148 CO 0.04 0.42 -0.00 1.03 -0.73 0.00 0.00 179.01 179.76 1b6f h SER 149 N 0.65 0.26 -0.10 1.04 0.87 -1.48 -1.40 113.55 113.39 1b6f h SER 149 Ca 0.56 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1b6f h SER 149 Cb 0.91 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1b6f h SER 149 CO -0.41 0.51 -0.13 0.22 -0.53 0.00 0.00 176.83 176.49 1b6f h TYR 150 N 0.00 -0.41 -0.94 2.24 3.20 -0.60 -0.86 116.97 119.61 1b6f h TYR 150 Ca 0.04 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1b6f h TYR 150 Cb 0.38 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1b6f h TYR 150 CO 0.04 -0.12 0.61 -0.07 -1.64 0.00 0.00 178.16 176.98 1b6f h LEU 151 N -0.09 0.95 -0.99 2.82 3.38 -1.53 -1.52 115.31 118.33 1b6f h LEU 151 Ca 0.02 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.22 1b6f h LEU 151 Cb 0.14 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 1b6f h LEU 151 CO -0.15 0.61 0.57 -0.07 0.09 0.00 0.00 178.44 179.50 1b6f h LEU 152 N 1.08 0.66 -0.80 1.67 3.38 -0.03 1.40 115.31 122.68 1b6f h LEU 152 Ca 0.40 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1b6f h LEU 152 Cb 0.18 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1b6f h LEU 152 CO -0.15 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1b6f n ALA 153 N -2.34 2.54 0.77 1.53 0.00 -0.58 -3.34 120.51 119.09 1b6f n ALA 153 Ca 0.25 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1b6f n ALA 153 Cb 0.69 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1b6f n ALA 153 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1b6f n HIS 154 N 0.02 0.00 -0.83 0.00 -0.00 0.48 -4.46 115.22 110.43 1b6f n HIS 154 Ca 0.06 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.07 1b6f n HIS 154 Cb 0.20 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.12 1b6f n HIS 154 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1b6f n SER 155 N -0.58 6.21 0.00 0.26 7.64 -1.19 -3.99 113.62 121.98 1b6f n SER 155 Ca 0.06 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1b6f n SER 155 Cb 0.32 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1b6f n SER 155 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1b6f n ASP 156 N 0.24 2.92 -4.16 6.43 -0.08 -1.26 -5.10 116.55 115.54 1b6f n ASP 156 Ca 0.31 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.36 1b6f n ASP 156 Cb 0.63 0.12 -0.09 0.00 2.34 0.00 0.00 41.12 44.12 1b6f n ASP 156 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b6f s ALA 157 N -1.67 2.58 -0.28 -1.67 0.00 -1.26 -5.08 121.76 114.37 1b6f s ALA 157 Ca 0.00 -1.53 0.21 0.00 0.00 0.00 0.00 51.96 50.64 1b6f s ALA 157 Cb 0.00 0.83 0.49 0.00 0.00 0.00 0.00 23.12 24.44 1b6f s ALA 157 CO 0.00 -0.37 1.05 0.66 0.00 0.00 0.00 175.76 177.10 1b6f n TYR 158 N -0.79 1.27 0.14 0.00 4.01 -1.26 -5.00 117.16 115.53 1b6f n TYR 158 Ca -0.04 -2.38 0.01 0.00 -0.16 0.00 0.00 57.90 55.33 1b6f n TYR 158 Cb 0.65 -0.28 0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1b6f n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69