#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwa s ILE 42 N 0.00 1.52 -0.04 4.25 -1.09 -1.26 -0.80 121.20 123.79 1pwa s ILE 42 Ca 0.00 -0.79 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 1pwa s ILE 42 Cb 0.00 -1.29 -0.02 0.00 -1.58 0.00 0.00 42.46 39.57 1pwa s ILE 42 CO 0.00 0.43 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.80 1pwa s ARG 43 N -0.13 2.38 -0.34 2.79 0.52 -0.28 -4.98 118.95 118.91 1pwa s ARG 43 Ca -0.00 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.25 1pwa s ARG 43 Cb -0.11 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 1pwa s ARG 43 CO 0.01 0.53 0.21 -0.51 0.02 0.00 0.00 175.30 175.56 1pwa s LEU 44 N -0.51 4.42 0.15 2.53 1.43 -1.26 -0.11 118.68 125.32 1pwa s LEU 44 Ca 0.07 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1pwa s LEU 44 Cb -0.11 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1pwa s LEU 44 CO 0.01 -0.24 0.21 -0.13 0.23 0.00 0.00 176.35 176.42 1pwa s ARG 45 N 1.67 1.06 -0.14 1.70 1.81 -0.34 -4.43 118.95 120.27 1pwa s ARG 45 Ca 0.05 -1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 52.82 1pwa s ARG 45 Cb -0.17 0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 34.64 1pwa s ARG 45 CO 0.09 -0.36 -0.10 -1.01 -0.68 0.00 0.00 175.30 173.24 1pwa s HIS 46 N -3.98 2.88 -0.25 -0.53 3.76 -0.17 -0.49 115.29 116.51 1pwa s HIS 46 Ca 0.18 -0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 1pwa s HIS 46 Cb 0.05 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1pwa s HIS 46 CO -0.01 -0.17 0.51 -0.51 -0.85 0.00 0.00 174.74 173.71 1pwa s LEU 47 N 0.39 4.06 -0.10 0.89 1.43 -1.26 -0.44 118.68 123.66 1pwa s LEU 47 Ca -0.08 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1pwa s LEU 47 Cb -0.15 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1pwa s LEU 47 CO 0.04 -0.27 -0.05 -0.47 0.23 0.00 0.00 176.35 175.84 1pwa s TYR 48 N 2.22 3.00 0.26 0.29 5.04 -0.50 -0.66 117.35 127.00 1pwa s TYR 48 Ca 0.21 -0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 1pwa s TYR 48 Cb -0.16 -1.80 -0.03 0.00 0.35 0.00 0.00 41.96 40.32 1pwa s TYR 48 CO 0.09 0.24 0.24 -0.08 -1.34 0.00 0.00 175.55 174.70 1pwa s THR 49 N -0.45 0.00 0.19 4.34 -1.32 0.23 -0.52 115.64 118.10 1pwa s THR 49 Ca 0.07 -1.92 -0.05 0.00 -1.21 0.00 0.00 61.69 58.58 1pwa s THR 49 Cb -0.12 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 1pwa s THR 49 CO 0.02 0.00 0.22 -0.55 -2.21 0.00 0.00 174.62 172.10 1pwa s SER 50 N -3.23 0.11 0.82 8.08 0.15 -1.26 -1.45 113.70 116.90 1pwa s SER 50 Ca 0.38 -1.16 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 1pwa s SER 50 Cb 0.04 0.42 0.17 0.00 -1.71 0.00 0.00 66.02 64.94 1pwa s SER 50 CO 0.18 -0.89 1.12 -0.83 1.20 0.00 0.00 173.24 174.01 1pwa s GLY 51 N -3.07 1.77 0.54 9.45 0.00 -1.26 -4.03 107.32 110.70 1pwa s GLY 51 Ca 0.29 -1.74 0.21 0.00 0.00 0.00 0.00 44.72 43.47 1pwa s GLY 51 CO 0.07 -1.06 2.11 -0.56 0.00 0.00 0.00 173.10 173.67 1pwa h PRO 52 N -0.92 0.00 -0.00 2.90 0.13 -1.98 -0.78 132.00 131.35 1pwa h PRO 52 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1pwa h PRO 52 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pwa h PRO 52 CO 0.35 0.00 -0.45 0.72 -0.23 0.00 0.00 178.00 178.40 1pwa n HIS 53 N -4.37 0.00 -1.65 1.56 8.25 -1.26 -4.97 115.22 112.78 1pwa n HIS 53 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1pwa n HIS 53 Cb 0.25 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1pwa n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pwa n GLY 54 N 1.46 0.73 0.08 -1.41 0.00 -0.30 -4.89 105.19 100.85 1pwa n GLY 54 Ca 0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1pwa n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwa n LEU 55 N -1.36 0.30 -4.90 0.99 4.77 -1.26 -4.95 117.00 110.59 1pwa n LEU 55 Ca -0.12 0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1pwa n LEU 55 Cb 0.45 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1pwa n LEU 55 CO 0.16 0.29 0.34 -0.94 -1.33 0.00 0.00 177.39 175.91 1pwa s SER 56 N -5.40 6.39 -0.20 -1.43 1.04 -1.26 -5.05 113.70 107.80 1pwa s SER 56 Ca -0.07 0.87 0.01 0.00 0.48 0.00 0.00 55.95 57.23 1pwa s SER 56 Cb 0.09 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 64.02 1pwa s SER 56 CO 0.84 -0.39 -0.18 -0.44 0.98 0.00 0.00 173.24 174.06 1pwa s SER 57 N -3.57 3.40 -0.29 7.02 0.01 -1.26 -4.54 113.70 114.48 1pwa s SER 57 Ca 0.47 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 1pwa s SER 57 Cb -0.10 -1.51 0.09 0.00 0.21 0.00 0.00 66.02 64.71 1pwa s SER 57 CO 0.36 -0.03 0.07 0.00 0.41 0.00 0.00 173.24 174.05 1pwa s PHE 59 N 1.58 3.53 0.00 0.00 0.40 0.46 -0.60 117.98 123.35 1pwa s PHE 59 Ca 0.07 1.11 -0.30 0.00 -0.60 0.00 0.00 56.93 57.20 1pwa s PHE 59 Cb -0.17 -2.73 -0.06 0.00 0.51 0.00 0.00 43.02 40.56 1pwa s PHE 59 CO -0.20 0.08 1.58 -1.17 0.70 0.00 0.00 175.22 176.21 1pwa s LEU 60 N 0.89 4.33 -0.15 -0.37 0.20 0.16 -0.97 118.68 122.78 1pwa s LEU 60 Ca 0.33 2.28 0.02 0.00 0.69 0.00 0.00 54.13 57.45 1pwa s LEU 60 Cb -0.17 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 1pwa s LEU 60 CO 0.15 -0.86 -0.20 -0.60 -0.29 0.00 0.00 176.35 174.55 1pwa s ARG 61 N 3.11 3.06 -0.45 1.98 3.52 0.32 -4.46 118.95 126.03 1pwa s ARG 61 Ca 0.71 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 55.34 1pwa s ARG 61 Cb -0.35 -2.50 0.07 0.00 -1.56 0.00 0.00 34.95 30.62 1pwa s ARG 61 CO 0.29 -0.03 0.35 0.42 -0.81 0.00 0.00 175.30 175.52 1pwa s ILE 62 N 0.88 4.93 0.64 4.11 1.01 -0.79 -1.45 121.20 130.52 1pwa s ILE 62 Ca -0.05 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1pwa s ILE 62 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1pwa s ILE 62 CO -0.03 -0.54 1.04 -0.13 0.00 0.00 0.00 174.94 175.28 1pwa s ARG 63 N 1.58 3.45 0.58 2.79 0.52 -0.21 -4.51 118.95 123.15 1pwa s ARG 63 Ca 0.04 0.81 0.27 0.00 -0.52 0.00 0.00 55.73 56.32 1pwa s ARG 63 Cb -0.24 -2.06 1.66 0.00 0.52 0.00 0.00 34.95 34.83 1pwa s ARG 63 CO 0.05 -0.69 2.18 0.00 0.02 0.00 0.00 175.30 176.86 1pwa h ALA 64 N -0.38 1.74 -0.04 2.13 0.00 -1.91 -1.27 119.26 119.53 1pwa h ALA 64 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1pwa h ALA 64 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pwa h ALA 64 CO 0.61 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1pwa n ASP 65 N -3.98 1.30 0.00 0.00 3.85 -1.26 -4.92 116.55 111.53 1pwa n ASP 65 Ca -0.01 -1.48 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1pwa n ASP 65 Cb 0.18 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1pwa n ASP 65 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1pwa n GLY 66 N 1.13 0.74 3.75 6.12 0.00 -0.48 -4.99 105.19 111.46 1pwa n GLY 66 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1pwa n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pwa s VAL 67 N -2.30 3.13 -0.21 1.61 1.01 -1.26 -0.33 120.40 122.05 1pwa s VAL 67 Ca 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.96 1pwa s VAL 67 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1pwa s VAL 67 CO 0.00 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.58 1pwa s VAL 68 N -0.48 3.59 0.00 2.92 1.01 -1.26 -1.04 120.40 125.14 1pwa s VAL 68 Ca 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1pwa s VAL 68 Cb -0.36 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1pwa s VAL 68 CO 0.43 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 175.06 1pwa n ASP 69 N 4.52 0.00 -4.82 3.32 3.85 -0.53 -4.95 116.55 117.94 1pwa n ASP 69 Ca -0.18 -0.89 -0.35 0.00 -0.71 0.00 0.00 54.79 52.66 1pwa n ASP 69 Cb 0.51 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.22 1pwa n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pwa s ALA 71 N -1.07 2.47 0.30 0.00 0.00 -0.14 -4.89 121.76 118.43 1pwa s ALA 71 Ca 0.18 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1pwa s ALA 71 Cb -0.12 -0.60 0.49 0.00 0.00 0.00 0.00 23.12 22.89 1pwa s ALA 71 CO 0.07 0.56 1.76 -0.09 0.00 0.00 0.00 175.76 178.06 1pwa h ARG 72 N 4.46 0.41 -4.97 0.00 2.43 -1.88 0.13 114.38 114.97 1pwa h ARG 72 Ca -0.48 -0.14 -0.37 0.00 -0.81 0.00 0.00 59.98 58.18 1pwa h ARG 72 Cb 1.15 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.53 1pwa h ARG 72 CO 0.45 0.62 -0.63 0.20 -1.51 0.00 0.00 179.97 179.11 1pwa s GLY 73 N -4.03 1.70 0.30 2.80 0.00 -1.26 -4.60 107.32 102.22 1pwa s GLY 73 Ca -0.06 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.51 1pwa s GLY 73 CO 0.78 -1.64 1.57 1.20 0.00 0.00 0.00 173.10 175.02 1pwa s GLN 74 N -3.97 4.13 0.34 2.90 -0.21 -1.26 -4.82 119.66 116.77 1pwa s GLN 74 Ca 0.34 2.56 0.02 0.00 0.02 0.00 0.00 55.36 58.30 1pwa s GLN 74 Cb 0.07 -3.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 1pwa s GLN 74 CO 0.12 -0.61 0.41 -1.13 -2.12 0.00 0.00 175.29 171.96 1pwa n SER 75 N 1.99 -1.12 -0.32 5.90 3.41 -1.26 -5.02 113.62 117.20 1pwa n SER 75 Ca 0.07 -2.99 -0.04 0.00 -0.26 0.00 0.00 58.87 55.66 1pwa n SER 75 Cb 0.38 2.21 0.08 0.00 -0.26 0.00 0.00 64.21 66.62 1pwa n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pwa h ALA 76 N 2.04 1.12 -0.05 7.33 0.00 -1.97 -2.53 119.26 125.20 1pwa h ALA 76 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pwa h ALA 76 Cb 1.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pwa h ALA 76 CO 0.36 0.62 0.00 0.72 0.00 0.00 0.00 179.25 180.95 1pwa n HIS 77 N -4.36 0.06 0.92 0.00 8.25 -1.26 -2.93 115.22 115.89 1pwa n HIS 77 Ca 0.09 -0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1pwa n HIS 77 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1pwa n HIS 77 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pwa n SER 78 N 0.07 0.80 -4.67 0.41 3.41 -0.97 -1.89 113.62 110.77 1pwa n SER 78 Ca 0.19 -0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 57.67 1pwa n SER 78 Cb 0.31 0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 1pwa n SER 78 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pwa s LEU 79 N -3.15 4.30 0.06 1.04 2.96 -1.09 -4.46 118.68 118.33 1pwa s LEU 79 Ca 0.08 2.15 0.08 0.00 -0.22 0.00 0.00 54.13 56.21 1pwa s LEU 79 Cb 0.16 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1pwa s LEU 79 CO 0.82 -0.83 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.06 1pwa s LEU 80 N 3.28 2.51 -0.32 -0.68 1.43 0.36 -1.47 118.68 123.80 1pwa s LEU 80 Ca 0.68 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 1pwa s LEU 80 Cb -0.32 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1pwa s LEU 80 CO 0.27 0.24 0.50 -1.61 0.23 0.00 0.00 176.35 175.97 1pwa s GLU 81 N -1.53 3.78 -0.39 1.70 2.02 0.82 -1.20 118.70 123.90 1pwa s GLU 81 Ca 0.14 -0.02 -0.11 0.00 0.02 0.00 0.00 54.97 55.00 1pwa s GLU 81 Cb -0.10 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.41 1pwa s GLU 81 CO 0.05 -0.52 0.23 0.42 0.02 0.00 0.00 175.26 175.46 1pwa s ILE 82 N 2.33 4.60 -0.23 -1.63 1.01 0.84 -0.98 121.20 127.14 1pwa s ILE 82 Ca 0.19 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1pwa s ILE 82 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1pwa s ILE 82 CO 0.12 -0.30 0.22 -0.75 0.00 0.00 0.00 174.94 174.23 1pwa s LYS 83 N 1.55 4.09 -0.81 2.79 2.20 0.33 -1.13 119.74 128.77 1pwa s LYS 83 Ca 0.02 -0.16 -0.24 0.00 -0.36 0.00 0.00 55.97 55.24 1pwa s LYS 83 Cb -0.20 -3.54 0.06 0.00 -1.51 0.00 0.00 37.83 32.64 1pwa s LYS 83 CO 0.06 0.04 1.21 0.00 -0.36 0.00 0.00 175.35 176.30 1pwa s ALA 84 N 1.12 2.92 -0.02 3.13 0.00 0.02 -1.41 121.76 127.53 1pwa s ALA 84 Ca 0.10 -1.89 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 1pwa s ALA 84 Cb -0.14 -4.18 -0.20 0.00 0.00 0.00 0.00 23.12 18.60 1pwa s ALA 84 CO 0.05 -3.18 1.26 -0.39 0.00 0.00 0.00 175.76 173.50 1pwa h VAL 85 N 6.17 1.33 -1.83 0.00 -1.51 -1.49 -3.34 116.25 115.57 1pwa h VAL 85 Ca -0.11 -1.09 -0.00 0.00 -1.23 0.00 0.00 66.70 64.26 1pwa h VAL 85 Cb 1.04 2.06 -0.22 0.00 -2.13 0.00 0.00 31.29 32.04 1pwa h VAL 85 CO 1.26 0.28 0.29 0.00 -1.23 0.00 0.00 177.57 178.18 1pwa s ALA 86 N -4.30 -1.85 0.00 5.19 0.00 -1.20 -4.99 121.76 114.61 1pwa s ALA 86 Ca -0.16 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1pwa s ALA 86 Cb 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1pwa s ALA 86 CO 0.66 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 177.38 1pwa n LEU 87 N 1.74 0.00 -1.81 0.00 4.77 -1.26 -0.37 117.00 120.06 1pwa n LEU 87 Ca -0.14 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1pwa n LEU 87 Cb 0.56 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.04 1pwa n LEU 87 CO 0.11 0.00 0.85 0.54 -1.33 0.00 0.00 177.39 177.56 1pwa n ARG 88 N 11.49 4.64 -3.73 3.23 5.12 -1.26 -4.94 116.66 131.21 1pwa n ARG 88 Ca 0.00 -3.01 -0.36 0.00 -1.93 0.00 0.00 57.85 52.55 1pwa n ARG 88 Cb 0.00 -2.20 -0.07 0.00 -1.16 0.00 0.00 32.46 29.03 1pwa n ARG 88 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1pwa s THR 89 N -2.59 5.41 0.14 0.55 2.01 0.50 -0.05 115.64 121.61 1pwa s THR 89 Ca 0.52 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.86 1pwa s THR 89 Cb 0.39 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1pwa s THR 89 CO 0.17 0.48 -0.17 0.68 -0.69 0.00 0.00 174.62 175.08 1pwa s VAL 90 N 0.04 1.61 -0.05 3.82 -7.23 0.19 -1.27 120.40 117.51 1pwa s VAL 90 Ca 0.11 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1pwa s VAL 90 Cb -0.12 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1pwa s VAL 90 CO 0.00 -0.30 -0.19 0.00 -0.31 0.00 0.00 175.10 174.31 1pwa s ALA 91 N -1.89 2.47 -0.11 1.32 0.00 -0.50 -1.30 121.76 121.75 1pwa s ALA 91 Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1pwa s ALA 91 Cb -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1pwa s ALA 91 CO 0.05 0.52 -0.19 0.42 0.00 0.00 0.00 175.76 176.56 1pwa s ILE 92 N -0.58 1.77 -0.05 0.00 1.01 -1.26 -0.51 121.20 121.58 1pwa s ILE 92 Ca 0.08 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1pwa s ILE 92 Cb -0.11 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1pwa s ILE 92 CO 0.01 0.49 -0.11 -0.75 0.00 0.00 0.00 174.94 174.58 1pwa s LYS 93 N 0.78 1.33 0.01 2.79 2.20 -0.15 -0.62 119.74 126.09 1pwa s LYS 93 Ca -0.10 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1pwa s LYS 93 Cb -0.16 -1.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.93 1pwa s LYS 93 CO 0.01 0.07 1.45 0.20 -0.36 0.00 0.00 175.35 176.72 1pwa s GLY 94 N 0.45 1.80 0.15 5.54 0.00 0.33 -0.13 107.32 115.46 1pwa s GLY 94 Ca -0.09 0.95 -0.14 0.00 0.00 0.00 0.00 44.72 45.44 1pwa s GLY 94 CO 0.02 2.58 1.70 -2.08 0.00 0.00 0.00 173.10 175.32 1pwa h VAL 95 N 4.89 1.21 0.01 1.40 2.07 -1.56 0.32 116.25 124.58 1pwa h VAL 95 Ca -0.39 -0.64 -0.29 0.00 0.82 0.00 0.00 66.70 66.21 1pwa h VAL 95 Cb 1.18 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1pwa h VAL 95 CO 0.91 0.24 -1.67 0.45 0.02 0.00 0.00 177.57 177.51 1pwa h HIS 96 N 0.62 0.02 0.00 1.57 3.86 -1.78 -3.28 115.15 116.16 1pwa h HIS 96 Ca 0.16 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1pwa h HIS 96 Cb 0.19 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1pwa h HIS 96 CO 0.00 1.03 -0.03 0.66 0.86 0.00 0.00 177.93 180.46 1pwa h SER 97 N 0.00 0.00 -5.32 2.45 4.64 -1.79 -3.48 113.55 110.06 1pwa h SER 97 Ca -0.27 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.65 1pwa h SER 97 Cb 2.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.05 1pwa h SER 97 CO 0.08 0.03 -0.60 0.52 -0.87 0.00 0.00 176.83 175.99 1pwa n VAL 98 N -3.11 -1.41 -4.86 0.95 0.31 0.10 -4.91 118.33 105.39 1pwa n VAL 98 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.04 1pwa n VAL 98 Cb 0.50 -2.41 -0.13 0.00 -0.91 0.00 0.00 33.84 30.89 1pwa n VAL 98 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1pwa s ARG 99 N -6.02 2.76 0.22 5.55 0.52 -1.23 -4.67 118.95 116.08 1pwa s ARG 99 Ca 0.42 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 1pwa s ARG 99 Cb -0.21 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 1pwa s ARG 99 CO 0.51 0.50 1.03 0.71 0.02 0.00 0.00 175.30 178.08 1pwa s TYR 100 N -0.41 3.74 -0.26 -0.53 1.51 0.58 -0.51 117.35 121.46 1pwa s TYR 100 Ca 0.05 1.75 -0.29 0.00 -1.01 0.00 0.00 57.07 57.57 1pwa s TYR 100 Cb -0.12 -3.16 -0.00 0.00 -0.11 0.00 0.00 41.96 38.57 1pwa s TYR 100 CO 0.02 -0.16 1.28 -1.17 -1.11 0.00 0.00 175.55 174.41 1pwa s LEU 101 N -0.92 3.97 0.04 -1.29 2.96 0.21 -1.13 118.68 122.52 1pwa s LEU 101 Ca 0.45 1.34 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1pwa s LEU 101 Cb -0.28 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 1pwa s LEU 101 CO 0.35 -0.98 -0.11 0.00 -1.32 0.00 0.00 176.35 174.29 1pwa s MET 103 N -1.20 4.12 0.00 0.00 1.75 0.49 -1.04 119.30 123.42 1pwa s MET 103 Ca -0.02 -0.12 0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1pwa s MET 103 Cb -0.08 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 34.20 1pwa s MET 103 CO 0.01 0.34 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 1pwa n GLY 104 N 3.29 4.54 3.77 2.11 0.00 0.24 -4.79 105.19 114.35 1pwa n GLY 104 Ca -0.15 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1pwa n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwa s ALA 105 N -2.24 3.58 -0.00 4.61 0.00 -1.26 -1.82 121.76 124.63 1pwa s ALA 105 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1pwa s ALA 105 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1pwa s ALA 105 CO 0.00 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 174.56 1pwa n ASP 106 N 0.75 -4.81 0.00 0.00 10.43 -1.26 -1.98 116.55 119.68 1pwa n ASP 106 Ca 0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.38 1pwa n ASP 106 Cb 0.40 -2.31 0.00 0.00 1.84 0.00 0.00 41.12 41.05 1pwa n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pwa n GLY 107 N -0.59 0.79 3.72 0.44 0.00 -0.76 -5.02 105.19 103.77 1pwa n GLY 107 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pwa n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pwa s LYS 108 N -0.25 4.27 0.24 1.61 2.20 -0.84 -4.61 119.74 122.35 1pwa s LYS 108 Ca 0.00 2.21 -0.14 0.00 -0.36 0.00 0.00 55.97 57.68 1pwa s LYS 108 Cb 0.00 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 33.03 1pwa s LYS 108 CO 0.00 -0.52 0.63 -1.64 -0.36 0.00 0.00 175.35 173.46 1pwa s MET 109 N 1.16 3.97 0.17 4.03 -1.94 -1.26 -0.59 119.30 124.85 1pwa s MET 109 Ca 0.67 0.54 -0.11 0.00 -1.71 0.00 0.00 55.69 55.08 1pwa s MET 109 Cb -0.40 -2.69 -0.00 0.00 2.01 0.00 0.00 34.83 33.75 1pwa s MET 109 CO 0.31 0.32 0.34 1.14 -0.01 0.00 0.00 175.02 177.11 1pwa s GLN 110 N -2.53 1.21 -0.20 2.03 -2.07 -0.21 -4.38 119.66 113.51 1pwa s GLN 110 Ca 0.46 -1.10 -0.06 0.00 -1.82 0.00 0.00 55.36 52.85 1pwa s GLN 110 Cb -0.13 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1pwa s GLN 110 CO 0.19 -0.46 0.02 0.20 -1.32 0.00 0.00 175.29 173.92 1pwa s GLY 111 N -2.94 1.75 0.03 2.60 0.00 0.55 -1.00 107.32 108.31 1pwa s GLY 111 Ca 0.15 -0.96 0.09 0.00 0.00 0.00 0.00 44.72 44.00 1pwa s GLY 111 CO -0.01 0.22 -0.25 1.08 0.00 0.00 0.00 173.10 174.14 1pwa s LEU 112 N 0.93 2.21 0.41 0.66 1.43 -0.28 -4.47 118.68 119.55 1pwa s LEU 112 Ca 0.02 -0.53 0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1pwa s LEU 112 Cb -0.14 -1.33 0.89 0.00 0.03 0.00 0.00 46.19 45.63 1pwa s LEU 112 CO 0.02 0.28 1.86 -0.07 0.23 0.00 0.00 176.35 178.67 1pwa h LEU 113 N 4.96 0.00 -8.89 1.79 3.38 -1.88 0.17 115.31 114.84 1pwa h LEU 113 Ca -0.46 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.87 1pwa h LEU 113 Cb 1.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.68 1pwa h LEU 113 CO 0.45 0.31 -0.67 -1.10 0.09 0.00 0.00 178.44 177.52 1pwa s GLN 114 N -4.06 3.53 0.09 1.13 -0.21 -1.26 -4.75 119.66 114.13 1pwa s GLN 114 Ca -0.02 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1pwa s GLN 114 Cb 0.13 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1pwa s GLN 114 CO 0.68 0.31 1.01 -0.47 -2.12 0.00 0.00 175.29 174.70 1pwa s TYR 115 N 0.17 3.71 -0.16 0.91 6.14 -1.26 -4.89 117.35 121.97 1pwa s TYR 115 Ca -0.02 1.70 -0.00 0.00 0.64 0.00 0.00 57.07 59.39 1pwa s TYR 115 Cb -0.14 -3.14 0.04 0.00 0.42 0.00 0.00 41.96 39.14 1pwa s TYR 115 CO 0.03 -0.11 -0.07 -1.12 0.64 0.00 0.00 175.55 174.92 1pwa s SER 116 N 0.31 2.74 0.35 4.32 0.01 -1.26 -5.05 113.70 115.12 1pwa s SER 116 Ca 0.50 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1pwa s SER 116 Cb -0.24 -0.97 0.65 0.00 0.21 0.00 0.00 66.02 65.67 1pwa s SER 116 CO 0.30 -0.15 1.96 1.05 0.41 0.00 0.00 173.24 176.81 1pwa h GLU 117 N 8.11 0.67 -0.68 12.44 4.11 -1.96 0.11 114.58 137.38 1pwa h GLU 117 Ca -0.28 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.08 1pwa h GLU 117 Cb 1.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1pwa h GLU 117 CO 0.43 0.53 0.45 1.05 0.07 0.00 0.00 179.01 181.54 1pwa h GLU 118 N 0.67 0.89 0.00 1.06 4.11 -1.97 -1.19 114.58 118.16 1pwa h GLU 118 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1pwa h GLU 118 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1pwa h GLU 118 CO -0.02 0.59 -1.53 -0.25 0.07 0.00 0.00 179.01 177.87 1pwa n ASP 119 N -4.43 0.44 0.00 3.06 10.43 -0.93 -4.47 116.55 120.65 1pwa n ASP 119 Ca 0.07 -0.40 0.00 0.00 2.57 0.00 0.00 54.79 57.04 1pwa n ASP 119 Cb 0.04 1.51 0.00 0.00 1.84 0.00 0.00 41.12 44.51 1pwa n ASP 119 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pwa s ALA 121 N -0.13 3.36 0.06 0.00 0.00 -0.47 -4.36 121.76 120.23 1pwa s ALA 121 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1pwa s ALA 121 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1pwa s ALA 121 CO 0.00 0.38 -0.14 -0.06 0.00 0.00 0.00 175.76 175.94 1pwa s PHE 122 N -0.23 1.20 -0.17 0.00 0.08 -0.42 -4.68 117.98 113.75 1pwa s PHE 122 Ca 0.07 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.43 1pwa s PHE 122 Cb -0.12 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1pwa s PHE 122 CO 0.02 0.05 0.81 -2.00 -0.10 0.00 0.00 175.22 173.99 1pwa s GLU 123 N -1.62 4.28 -0.24 0.44 2.12 -0.08 -0.64 118.70 122.97 1pwa s GLU 123 Ca -0.02 0.97 -0.19 0.00 0.36 0.00 0.00 54.97 56.09 1pwa s GLU 123 Cb -0.10 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1pwa s GLU 123 CO 0.02 -0.32 0.55 -2.00 -0.54 0.00 0.00 175.26 172.97 1pwa s GLU 124 N 2.13 4.11 -0.12 4.30 2.12 0.93 -0.80 118.70 131.38 1pwa s GLU 124 Ca 0.37 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 56.12 1pwa s GLU 124 Cb -0.16 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.62 1pwa s GLU 124 CO 0.12 -0.32 -0.10 -1.21 -0.54 0.00 0.00 175.26 173.20 1pwa s GLU 125 N 2.22 1.79 0.35 4.30 2.02 0.03 -4.88 118.70 124.53 1pwa s GLU 125 Ca 0.23 -0.36 -0.27 0.00 0.02 0.00 0.00 54.97 54.59 1pwa s GLU 125 Cb -0.16 -1.75 -0.09 0.00 0.10 0.00 0.00 34.13 32.24 1pwa s GLU 125 CO 0.09 -0.24 1.21 -1.50 0.02 0.00 0.00 175.26 174.84 1pwa s ILE 126 N 1.57 3.04 0.30 -1.63 1.10 -1.26 -0.76 121.20 123.56 1pwa s ILE 126 Ca 0.04 0.97 0.10 0.00 -0.51 0.00 0.00 60.65 61.24 1pwa s ILE 126 Cb -0.13 -3.59 -0.05 0.00 0.15 0.00 0.00 42.46 38.85 1pwa s ILE 126 CO -0.08 0.18 -0.01 -0.13 -2.11 0.00 0.00 174.94 172.78 1pwa s ARG 127 N -1.94 2.14 0.51 3.50 1.81 0.15 -4.90 118.95 120.23 1pwa s ARG 127 Ca 0.52 -1.60 0.26 0.00 -1.72 0.00 0.00 55.73 53.19 1pwa s ARG 127 Cb -0.35 -2.03 1.37 0.00 -0.45 0.00 0.00 34.95 33.49 1pwa s ARG 127 CO 0.45 0.25 1.93 -1.35 -0.68 0.00 0.00 175.30 175.89 1pwa h PRO 128 N 1.87 0.08 0.00 3.54 0.11 -1.97 -0.73 132.00 134.91 1pwa h PRO 128 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pwa h PRO 128 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pwa h PRO 128 CO 0.63 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1pwa n ASP 129 N -4.36 0.00 0.00 -2.05 3.85 -1.26 -4.86 116.55 107.87 1pwa n ASP 129 Ca 0.15 -0.72 0.00 0.00 -0.71 0.00 0.00 54.79 53.51 1pwa n ASP 129 Cb 0.77 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 1pwa n ASP 129 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1pwa n GLY 130 N 0.44 1.33 3.95 6.12 0.00 -0.28 -5.05 105.19 111.70 1pwa n GLY 130 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1pwa n GLY 130 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pwa s TYR 131 N -3.23 3.23 0.10 1.61 1.51 -1.26 -4.84 117.35 114.47 1pwa s TYR 131 Ca 0.00 0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.36 1pwa s TYR 131 Cb 0.00 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1pwa s TYR 131 CO 0.00 -0.39 0.11 -0.80 -1.11 0.00 0.00 175.55 173.36 1pwa s ASN 132 N -4.22 5.63 -0.08 2.29 0.02 0.27 -0.67 114.94 118.18 1pwa s ASN 132 Ca 0.49 -0.00 -0.02 0.00 -1.02 0.00 0.00 52.86 52.31 1pwa s ASN 132 Cb -0.10 -1.53 -0.03 0.00 0.02 0.00 0.00 41.25 39.60 1pwa s ASN 132 CO 0.39 0.15 0.01 -0.69 0.02 0.00 0.00 177.10 176.97 1pwa s VAL 133 N -1.49 4.33 -0.35 1.60 1.01 0.06 -0.39 120.40 125.18 1pwa s VAL 133 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1pwa s VAL 133 Cb -0.12 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1pwa s VAL 133 CO 0.23 0.59 0.11 -0.31 0.00 0.00 0.00 175.10 175.71 1pwa s TYR 134 N -0.91 3.33 -0.15 5.22 2.02 -1.26 -0.79 117.35 124.82 1pwa s TYR 134 Ca 0.14 -1.78 -0.12 0.00 -0.37 0.00 0.00 57.07 54.95 1pwa s TYR 134 Cb -0.11 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 38.91 1pwa s TYR 134 CO 0.03 -0.81 0.23 0.50 -1.57 0.00 0.00 175.55 173.93 1pwa s ARG 135 N 1.31 4.08 -0.30 -0.62 3.52 0.02 -0.39 118.95 126.56 1pwa s ARG 135 Ca -0.00 -0.00 -0.17 0.00 -0.13 0.00 0.00 55.73 55.42 1pwa s ARG 135 Cb -0.21 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1pwa s ARG 135 CO 0.00 0.38 0.49 0.45 -0.81 0.00 0.00 175.30 175.81 1pwa s SER 136 N 0.06 6.35 0.12 -2.12 0.15 -0.17 -0.90 113.70 117.19 1pwa s SER 136 Ca 0.15 0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.86 1pwa s SER 136 Cb -0.13 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1pwa s SER 136 CO 0.03 -0.35 1.63 -0.08 1.20 0.00 0.00 173.24 175.67 1pwa h GLU 137 N 8.24 0.54 -0.19 5.44 4.57 -1.86 0.09 114.58 131.40 1pwa h GLU 137 Ca -0.29 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1pwa h GLU 137 Cb 1.14 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1pwa h GLU 137 CO 0.72 0.57 0.05 -0.22 -1.18 0.00 0.00 179.01 178.95 1pwa h LYS 138 N 0.41 0.12 0.00 1.92 3.64 -1.94 -2.87 116.57 117.85 1pwa h LYS 138 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1pwa h LYS 138 Cb 0.26 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1pwa h LYS 138 CO -0.00 0.08 -0.25 0.72 -2.27 0.00 0.00 179.45 177.72 1pwa n HIS 139 N -5.07 0.36 -3.91 1.91 8.25 -1.20 -4.94 115.22 110.61 1pwa n HIS 139 Ca -0.03 0.11 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1pwa n HIS 139 Cb 0.08 -0.59 0.02 0.00 1.12 0.00 0.00 29.99 30.62 1pwa n HIS 139 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pwa n ARG 140 N -1.83 -5.07 -3.84 -0.41 3.00 0.01 -4.98 116.66 103.54 1pwa n ARG 140 Ca 0.05 0.57 -0.11 0.00 -0.01 0.00 0.00 57.85 58.35 1pwa n ARG 140 Cb 0.38 -5.34 -0.09 0.00 0.00 0.00 0.00 32.46 27.42 1pwa n ARG 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1pwa s LEU 141 N -7.16 1.33 0.41 0.55 1.43 -1.16 -5.00 118.68 109.08 1pwa s LEU 141 Ca 0.52 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.19 1pwa s LEU 141 Cb -0.26 0.94 -0.10 0.00 0.03 0.00 0.00 46.19 46.80 1pwa s LEU 141 CO 0.84 -0.49 0.89 -2.16 0.23 0.00 0.00 176.35 175.65 1pwa s PRO 142 N -2.07 4.08 0.17 1.29 0.04 -1.26 -1.00 135.00 136.26 1pwa s PRO 142 Ca -0.09 0.92 -0.34 0.00 0.04 0.00 0.00 61.00 61.53 1pwa s PRO 142 Cb -0.03 -2.25 -0.14 0.00 0.04 0.00 0.00 34.50 32.11 1pwa s PRO 142 CO -0.01 -0.02 1.59 0.28 0.04 0.00 0.00 177.00 178.88 1pwa n VAL 143 N -0.79 0.01 -3.74 -0.36 0.31 0.47 -4.91 118.33 109.34 1pwa n VAL 143 Ca 0.06 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1pwa n VAL 143 Cb 0.54 -1.59 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 1pwa n VAL 143 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1pwa s SER 144 N 0.93 -0.33 -0.18 4.52 0.15 -1.26 -4.40 113.70 113.13 1pwa s SER 144 Ca 0.78 0.48 0.16 0.00 0.70 0.00 0.00 55.95 58.07 1pwa s SER 144 Cb -0.66 0.57 0.75 0.00 -1.71 0.00 0.00 66.02 64.98 1pwa s SER 144 CO 0.37 -0.30 1.67 0.18 1.20 0.00 0.00 173.24 176.37 1pwa n LEU 145 N 2.06 5.17 0.00 3.45 4.77 -0.56 -4.53 117.00 127.36 1pwa n LEU 145 Ca -0.17 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 1pwa n LEU 145 Cb 0.57 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1pwa n LEU 145 CO 0.18 0.71 0.00 -1.20 -1.33 0.00 0.00 177.39 175.75 1pwa n SER 146 N 0.74 0.00 0.00 -1.43 7.64 -1.26 -4.98 113.62 114.33 1pwa n SER 146 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1pwa n SER 146 Cb 1.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 1pwa n SER 146 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pwa n LEU 160 N 0.00 0.00 -4.61 -3.43 4.77 -1.26 -5.11 117.00 107.36 1pwa n LEU 160 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1pwa n LEU 160 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1pwa n LEU 160 CO 0.00 0.00 0.52 -2.65 -1.33 0.00 0.00 177.39 173.93 1pwa n PRO 161 N 1.52 0.81 -3.67 3.23 -0.02 -1.26 -3.50 135.00 132.10 1pwa n PRO 161 Ca 0.00 0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 61.56 1pwa n PRO 161 Cb 0.00 -2.16 0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1pwa n PRO 161 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pwa n LEU 162 N -0.90 -3.24 0.00 2.45 4.32 -1.26 -4.42 117.00 113.96 1pwa n LEU 162 Ca 0.14 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 1pwa n LEU 162 Cb 0.48 -2.88 0.00 0.00 -1.62 0.00 0.00 43.42 39.40 1pwa n LEU 162 CO 0.49 0.54 0.07 -1.54 -1.22 0.00 0.00 177.39 175.72 1pwa n SER 163 N -2.99 0.26 -4.60 -1.43 3.41 -1.23 -1.49 113.62 105.55 1pwa n SER 163 Ca -0.06 -0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 57.55 1pwa n SER 163 Cb 0.58 0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 65.06 1pwa n SER 163 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pwa s HIS 164 N -0.62 3.24 -0.13 7.33 3.76 -1.26 -4.43 115.29 123.17 1pwa s HIS 164 Ca 0.00 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 1pwa s HIS 164 Cb 0.00 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 31.14 1pwa s HIS 164 CO 0.00 -0.24 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.39 1pwa s PHE 165 N 2.04 2.47 -0.26 1.40 0.40 0.48 -4.28 117.98 120.22 1pwa s PHE 165 Ca 0.14 -1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.05 1pwa s PHE 165 Cb -0.16 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1pwa s PHE 165 CO 0.10 -0.59 0.47 -1.17 0.70 0.00 0.00 175.22 174.73 1pwa s LEU 166 N 0.92 4.05 -0.45 -0.37 2.96 0.32 -0.56 118.68 125.54 1pwa s LEU 166 Ca -0.06 0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 1pwa s LEU 166 Cb -0.15 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.95 1pwa s LEU 166 CO -0.03 -0.25 1.49 -2.84 -1.32 0.00 0.00 176.35 173.39 1pwa s PRO 167 N 2.22 3.42 -0.03 0.98 0.02 -1.26 -1.41 135.00 138.94 1pwa s PRO 167 Ca 0.19 0.85 -0.05 0.00 0.02 0.00 0.00 61.00 62.02 1pwa s PRO 167 Cb -0.16 -4.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.23 1pwa s PRO 167 CO 0.09 -1.77 0.20 -1.64 -0.33 0.00 0.00 177.00 173.55 1pwa s MET 168 N 5.30 3.48 0.58 5.54 -1.94 0.42 -4.89 119.30 127.78 1pwa s MET 168 Ca 0.62 -0.21 -0.18 0.00 -1.71 0.00 0.00 55.69 54.21 1pwa s MET 168 Cb -0.14 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 1pwa s MET 168 CO 0.30 0.69 1.14 -0.51 -0.01 0.00 0.00 175.02 176.63 1pwa s LEU 169 N -1.68 3.65 0.54 -0.03 1.02 -1.26 -1.00 118.68 119.93 1pwa s LEU 169 Ca 0.25 2.18 -0.20 0.00 0.02 0.00 0.00 54.13 56.38 1pwa s LEU 169 Cb -0.13 -4.58 -0.06 0.00 0.02 0.00 0.00 46.19 41.45 1pwa s LEU 169 CO 0.15 -1.39 1.15 -2.16 0.02 0.00 0.00 176.35 174.12 1pwa s PRO 170 N -3.47 3.35 0.00 1.29 0.04 -1.26 -4.76 135.00 130.19 1pwa s PRO 170 Ca 0.72 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.70 1pwa s PRO 170 Cb -0.24 -2.05 1.24 0.00 0.04 0.00 0.00 34.50 33.48 1pwa s PRO 170 CO 0.31 -0.87 1.85 -1.33 0.04 0.00 0.00 177.00 177.01 1pwa n MET 171 N -1.23 0.27 -3.99 4.56 2.81 -1.26 -4.70 117.12 113.58 1pwa n MET 171 Ca 0.11 0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 55.95 1pwa n MET 171 Cb 0.50 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.40 1pwa n MET 171 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pwa s VAL 172 N -2.69 0.21 0.75 2.03 -7.23 -1.26 -5.16 120.40 107.05 1pwa s VAL 172 Ca 0.21 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1pwa s VAL 172 Cb 0.17 -0.31 0.05 0.00 0.56 0.00 0.00 36.38 36.85 1pwa s VAL 172 CO 0.41 -0.37 1.12 -2.16 -0.31 0.00 0.00 175.10 173.78 1pwa s PRO 173 N -1.22 2.27 -0.19 4.82 0.05 -1.26 -5.07 135.00 134.41 1pwa s PRO 173 Ca -0.11 1.34 -0.28 0.00 0.05 0.00 0.00 61.00 62.00 1pwa s PRO 173 Cb -0.08 -1.89 0.11 0.00 0.05 0.00 0.00 34.50 32.69 1pwa s PRO 173 CO -0.00 -1.65 0.90 -2.00 0.05 0.00 0.00 177.00 174.30 1pwa s GLU 174 N -4.51 0.70 0.03 4.56 2.12 -1.26 -5.15 118.70 115.18 1pwa s GLU 174 Ca 0.65 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 56.39 1pwa s GLU 174 Cb -0.20 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1pwa s GLU 174 CO 0.50 -0.17 0.16 -1.21 -0.54 0.00 0.00 175.26 174.01 1pwa s GLU 175 N -0.54 3.30 0.00 4.30 0.41 -1.26 -5.03 118.70 119.88 1pwa s GLU 175 Ca -0.02 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1pwa s GLU 175 Cb -0.02 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1pwa s GLU 175 CO 0.01 0.63 0.41 -2.30 -0.49 0.00 0.00 175.26 173.53