#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ot9 s GLN 3 N 0.00 1.13 -0.38 0.00 -0.21 -1.26 -4.91 119.66 114.03 2ot9 s GLN 3 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 55.36 54.40 2ot9 s GLN 3 Cb 0.00 0.49 -0.01 0.00 1.00 0.00 0.00 33.01 34.49 2ot9 s GLN 3 CO 0.00 -0.46 1.74 -1.25 -2.12 0.00 0.00 175.29 173.20 2ot9 s PRO 4 N -3.81 3.28 -0.80 2.91 0.04 -1.26 -4.91 135.00 130.45 2ot9 s PRO 4 Ca 0.04 1.23 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 2ot9 s PRO 4 Cb 0.01 -4.19 0.10 0.00 0.04 0.00 0.00 34.50 30.46 2ot9 s PRO 4 CO -0.11 -1.92 1.05 0.45 0.04 0.00 0.00 177.00 176.50 2ot9 s SER 5 N 5.97 6.41 0.06 6.66 0.15 -1.26 -3.67 113.70 128.03 2ot9 s SER 5 Ca 0.75 -1.56 -0.30 0.00 0.70 0.00 0.00 55.95 55.53 2ot9 s SER 5 Cb -0.19 -2.41 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2ot9 s SER 5 CO 0.32 -1.23 1.04 -0.89 1.20 0.00 0.00 173.24 173.67 2ot9 s THR 6 N 3.32 4.48 -0.13 6.45 2.01 -0.67 -4.73 115.64 126.36 2ot9 s THR 6 Ca 0.28 1.87 -0.20 0.00 0.31 0.00 0.00 61.69 63.95 2ot9 s THR 6 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2ot9 s THR 6 CO -0.01 0.20 0.56 -0.89 -0.69 0.00 0.00 174.62 173.79 2ot9 s THR 7 N 0.66 5.12 0.11 -0.82 2.01 -1.26 -0.26 115.64 121.21 2ot9 s THR 7 Ca 0.52 1.10 0.10 0.00 0.31 0.00 0.00 61.69 63.72 2ot9 s THR 7 Cb -0.24 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2ot9 s THR 7 CO 0.29 0.26 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.94 2ot9 s TYR 8 N 0.98 2.41 -0.18 4.92 2.02 0.07 -4.94 117.35 122.63 2ot9 s TYR 8 Ca 0.29 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2ot9 s TYR 8 Cb -0.16 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2ot9 s TYR 8 CO 0.12 0.34 -0.03 0.15 -1.57 0.00 0.00 175.55 174.55 2ot9 s LYS 9 N -2.00 3.58 -0.22 -0.62 -0.14 -0.08 -0.87 119.74 119.39 2ot9 s LYS 9 Ca 0.15 -0.55 -0.05 0.00 -1.36 0.00 0.00 55.97 54.16 2ot9 s LYS 9 Cb -0.10 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.07 2ot9 s LYS 9 CO 0.07 0.10 0.00 0.12 -0.76 0.00 0.00 175.35 174.88 2ot9 s PHE 10 N 0.75 3.02 -0.30 3.18 5.36 0.58 -0.35 117.98 130.23 2ot9 s PHE 10 Ca -0.01 -0.59 -0.03 0.00 -0.96 0.00 0.00 56.93 55.33 2ot9 s PHE 10 Cb -0.14 -2.13 0.04 0.00 -0.34 0.00 0.00 43.02 40.45 2ot9 s PHE 10 CO 0.02 -0.36 0.01 -1.21 -1.46 0.00 0.00 175.22 172.22 2ot9 s GLU 11 N 1.29 2.59 -0.22 10.12 2.02 0.85 -0.84 118.70 134.52 2ot9 s GLU 11 Ca 0.04 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 53.85 2ot9 s GLU 11 Cb -0.15 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.88 2ot9 s GLU 11 CO 0.01 -0.57 -0.09 -1.17 0.02 0.00 0.00 175.26 173.45 2ot9 s LEU 12 N 1.31 2.75 -0.43 1.80 2.96 0.51 -1.51 118.68 126.07 2ot9 s LEU 12 Ca -0.03 -0.60 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 2ot9 s LEU 12 Cb -0.19 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.89 2ot9 s LEU 12 CO -0.01 -0.04 0.38 0.20 -1.32 0.00 0.00 176.35 175.56 2ot9 s ASN 13 N 1.38 6.15 -0.20 3.68 0.01 -0.62 -0.50 114.94 124.83 2ot9 s ASN 13 Ca 0.04 -0.94 -0.06 0.00 -0.71 0.00 0.00 52.86 51.19 2ot9 s ASN 13 Cb -0.15 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 2ot9 s ASN 13 CO -0.07 -0.55 0.03 -0.22 -1.51 0.00 0.00 177.10 174.78 2ot9 s LEU 14 N 1.85 3.47 -0.47 0.60 2.96 0.12 -0.80 118.68 126.40 2ot9 s LEU 14 Ca 0.07 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2ot9 s LEU 14 Cb -0.20 -1.89 0.13 0.00 0.50 0.00 0.00 46.19 44.74 2ot9 s LEU 14 CO 0.10 0.09 0.24 -0.89 -1.32 0.00 0.00 176.35 174.58 2ot9 s THR 15 N 0.85 1.96 -0.54 3.68 2.01 0.36 -1.50 115.64 122.46 2ot9 s THR 15 Ca 0.02 -2.89 -0.15 0.00 0.31 0.00 0.00 61.69 58.99 2ot9 s THR 15 Cb -0.14 -2.37 0.13 0.00 0.01 0.00 0.00 72.50 70.13 2ot9 s THR 15 CO 0.02 -0.84 0.48 -0.62 -0.69 0.00 0.00 174.62 172.97 2ot9 s ASP 16 N 0.09 6.11 0.48 3.53 -1.08 0.10 -1.35 116.67 124.55 2ot9 s ASP 16 Ca 0.17 -1.86 0.27 0.00 -0.52 0.00 0.00 52.55 50.61 2ot9 s ASP 16 Cb -0.25 -2.17 0.74 0.00 -1.46 0.00 0.00 42.92 39.78 2ot9 s ASP 16 CO -0.00 -0.81 1.75 -0.07 0.52 0.00 0.00 175.17 176.56 2ot9 h LEU 17 N 8.75 0.00 -0.38 -1.34 3.38 -1.18 0.46 115.31 125.00 2ot9 h LEU 17 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 2ot9 h LEU 17 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2ot9 h LEU 17 CO 0.99 0.03 -0.74 0.44 0.09 0.00 0.00 178.44 179.25 2ot9 h ASP 18 N 0.00 0.51 -0.00 -0.43 3.32 -1.90 -3.34 116.42 114.59 2ot9 h ASP 18 Ca -0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2ot9 h ASP 18 Cb 0.82 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2ot9 h ASP 18 CO 0.00 1.09 -0.58 0.54 -1.72 0.00 0.00 179.24 178.57 2ot9 n ARG 19 N -3.84 2.65 -2.90 3.56 1.74 -1.19 -5.00 116.66 111.68 2ot9 n ARG 19 Ca -0.05 -0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.85 2ot9 n ARG 19 Cb 0.71 -1.12 0.05 0.00 -1.02 0.00 0.00 32.46 31.08 2ot9 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ot9 n GLY 20 N 1.28 0.08 3.28 -0.13 0.00 0.06 -5.03 105.19 104.73 2ot9 n GLY 20 Ca 0.03 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2ot9 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ot9 s VAL 21 N -3.18 2.87 -0.22 1.61 1.01 -0.61 -5.00 120.40 116.88 2ot9 s VAL 21 Ca 0.14 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2ot9 s VAL 21 Cb -0.06 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.15 2ot9 s VAL 21 CO 0.39 0.50 0.06 -0.31 0.00 0.00 0.00 175.10 175.73 2ot9 s TYR 22 N 0.95 1.04 -0.01 5.22 2.02 -1.26 0.01 117.35 125.32 2ot9 s TYR 22 Ca -0.02 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.64 2ot9 s TYR 22 Cb -0.15 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.29 2ot9 s TYR 22 CO -0.01 -0.68 0.09 -1.21 -1.57 0.00 0.00 175.55 172.18 2ot9 s GLU 23 N 1.85 0.35 -0.21 -0.62 0.41 -0.56 -5.00 118.70 114.92 2ot9 s GLU 23 Ca 0.02 -0.29 -0.05 0.00 -0.41 0.00 0.00 54.97 54.24 2ot9 s GLU 23 Cb -0.17 0.14 -0.02 0.00 -1.78 0.00 0.00 34.13 32.31 2ot9 s GLU 23 CO -0.14 -0.07 -0.01 -1.12 -0.49 0.00 0.00 175.26 173.42 2ot9 s SER 24 N -1.00 4.63 0.06 -0.19 0.01 -1.26 0.10 113.70 116.05 2ot9 s SER 24 Ca -0.11 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 56.92 2ot9 s SER 24 Cb -0.06 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 2ot9 s SER 24 CO 0.01 0.03 -0.13 -0.69 0.41 0.00 0.00 173.24 172.86 2ot9 s VAL 25 N 1.21 1.02 -0.04 3.43 1.01 0.34 -5.00 120.40 122.38 2ot9 s VAL 25 Ca 0.03 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.92 2ot9 s VAL 25 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2ot9 s VAL 25 CO 0.00 -0.16 -0.22 -0.54 0.00 0.00 0.00 175.10 174.18 2ot9 s LYS 26 N -1.48 2.10 0.00 2.72 1.02 -1.26 -0.36 119.74 122.49 2ot9 s LYS 26 Ca -0.02 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.20 2ot9 s LYS 26 Cb -0.09 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 2ot9 s LYS 26 CO 0.02 0.38 -0.06 -0.65 -0.92 0.00 0.00 175.35 174.11 2ot9 s GLN 27 N -0.22 0.51 -0.10 1.68 -1.52 -0.02 -4.99 119.66 114.99 2ot9 s GLN 27 Ca 0.00 -0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 52.97 2ot9 s GLN 27 Cb -0.12 -0.46 -0.05 0.00 -0.22 0.00 0.00 33.01 32.17 2ot9 s GLN 27 CO 0.02 0.12 0.33 0.99 -0.25 0.00 0.00 175.29 176.50 2ot9 s THR 28 N -0.33 5.24 -0.06 -0.19 2.01 -1.26 -0.31 115.64 120.74 2ot9 s THR 28 Ca 0.01 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.67 2ot9 s THR 28 Cb -0.04 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.84 2ot9 s THR 28 CO -0.00 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.64 2ot9 s ILE 29 N -0.14 1.14 -0.18 1.82 1.01 -0.05 -4.99 121.20 119.81 2ot9 s ILE 29 Ca 0.20 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 2ot9 s ILE 29 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2ot9 s ILE 29 CO 0.07 0.35 0.52 0.00 0.00 0.00 0.00 174.94 175.89 2ot9 s ALA 30 N 0.53 3.52 -0.37 9.38 0.00 -1.26 -0.75 121.76 132.81 2ot9 s ALA 30 Ca -0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2ot9 s ALA 30 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2ot9 s ALA 30 CO 0.03 -0.35 0.21 0.50 0.00 0.00 0.00 175.76 176.16 2ot9 s ARG 31 N 1.42 2.99 0.54 0.00 3.52 0.64 -4.98 118.95 123.08 2ot9 s ARG 31 Ca 0.25 -0.97 -0.20 0.00 -0.13 0.00 0.00 55.73 54.68 2ot9 s ARG 31 Cb -0.15 -3.74 -0.06 0.00 -1.56 0.00 0.00 34.95 29.44 2ot9 s ARG 31 CO 0.10 -0.64 1.16 -1.58 -0.81 0.00 0.00 175.30 173.53 2ot9 s HIS 32 N 1.60 2.63 0.54 5.12 5.65 -1.26 -1.68 115.29 127.89 2ot9 s HIS 32 Ca 0.03 1.53 0.26 0.00 0.25 0.00 0.00 55.06 57.14 2ot9 s HIS 32 Cb -0.19 -3.35 1.43 0.00 -1.18 0.00 0.00 32.58 29.29 2ot9 s HIS 32 CO 0.07 -1.72 1.98 -1.35 -0.65 0.00 0.00 174.74 173.07 2ot9 h PRO 33 N 1.27 0.00 -0.00 2.88 0.11 -1.91 -0.64 132.00 133.70 2ot9 h PRO 33 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ot9 h PRO 33 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2ot9 h PRO 33 CO 0.57 0.00 -0.11 0.43 -0.21 0.00 0.00 178.00 178.68 2ot9 n SER 34 N -4.29 0.12 -4.59 -2.05 7.64 -1.26 -4.74 113.62 104.44 2ot9 n SER 34 Ca 0.10 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 2ot9 n SER 34 Cb 0.64 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 2ot9 n SER 34 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ot9 s GLU 35 N -2.99 3.80 0.80 1.43 2.12 -0.25 -5.04 118.70 118.57 2ot9 s GLU 35 Ca 0.14 0.39 -0.11 0.00 0.36 0.00 0.00 54.97 55.75 2ot9 s GLU 35 Cb 0.19 -3.79 0.07 0.00 0.26 0.00 0.00 34.13 30.86 2ot9 s GLU 35 CO 0.57 -0.83 1.09 0.95 -0.54 0.00 0.00 175.26 176.50 2ot9 s THR 36 N 3.12 3.16 0.29 -1.70 -4.23 -1.26 -4.76 115.64 110.25 2ot9 s THR 36 Ca 0.32 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 2ot9 s THR 36 Cb -0.13 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 70.98 2ot9 s THR 36 CO 0.16 -0.49 1.86 -0.33 -0.54 0.00 0.00 174.62 175.28 2ot9 h GLU 37 N -1.16 0.99 -0.39 3.99 5.08 -1.96 -2.28 114.58 118.85 2ot9 h GLU 37 Ca -0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2ot9 h GLU 37 Cb 1.26 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2ot9 h GLU 37 CO 0.56 0.65 0.23 0.93 -1.00 0.00 0.00 179.01 180.39 2ot9 h GLU 38 N 1.02 0.53 -0.70 2.33 3.07 -1.92 -0.58 114.58 118.33 2ot9 h GLU 38 Ca 0.46 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2ot9 h GLU 38 Cb 0.39 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2ot9 h GLU 38 CO -0.22 0.39 0.00 -2.13 -1.40 0.00 0.00 179.01 175.65 2ot9 n ARG 39 N -4.78 0.10 0.00 2.33 0.63 -0.86 -1.21 116.66 112.88 2ot9 n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ot9 n ARG 39 Cb 0.05 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.78 2ot9 n ARG 39 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2ot9 n THR 41 N 0.62 0.00 -0.26 5.15 -1.04 -0.23 -1.59 114.28 116.93 2ot9 n THR 41 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2ot9 n THR 41 Cb 0.03 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.59 2ot9 n THR 41 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2ot9 h VAL 42 N 0.00 1.23 -0.98 12.58 2.07 -1.42 -0.91 116.25 128.82 2ot9 h VAL 42 Ca 0.00 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2ot9 h VAL 42 Cb 0.00 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 2ot9 h VAL 42 CO 0.00 0.27 0.64 0.03 0.02 0.00 0.00 177.57 178.53 2ot9 h ARG 43 N 1.00 1.19 -0.63 1.57 3.08 -1.57 -0.90 114.38 118.12 2ot9 h ARG 43 Ca 0.25 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2ot9 h ARG 43 Cb 0.11 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2ot9 h ARG 43 CO -0.03 0.79 0.03 -0.07 -1.07 0.00 0.00 179.97 179.62 2ot9 h LEU 44 N 1.23 1.06 -0.52 3.04 3.38 -1.73 -1.13 115.31 120.64 2ot9 h LEU 44 Ca 0.39 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2ot9 h LEU 44 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2ot9 h LEU 44 CO -0.13 1.09 0.26 -0.07 0.09 0.00 0.00 178.44 179.69 2ot9 h LEU 45 N 1.00 0.68 -0.72 1.67 3.38 -0.86 -2.22 115.31 118.23 2ot9 h LEU 45 Ca 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2ot9 h LEU 45 Cb 0.53 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2ot9 h LEU 45 CO 0.03 0.60 0.48 0.00 0.09 0.00 0.00 178.44 179.64 2ot9 h ALA 46 N 1.10 0.92 -0.30 1.53 0.00 -0.97 0.09 119.26 121.64 2ot9 h ALA 46 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2ot9 h ALA 46 Cb 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2ot9 h ALA 46 CO -0.02 0.34 0.00 -0.92 0.00 0.00 0.00 179.25 178.65 2ot9 h TYR 47 N 0.98 -0.01 -0.50 0.00 3.20 -1.00 -0.42 116.97 119.23 2ot9 h TYR 47 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 2ot9 h TYR 47 Cb -0.11 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2ot9 h TYR 47 CO -0.02 -0.05 0.01 0.00 -1.64 0.00 0.00 178.16 176.47 2ot9 h ALA 48 N 1.25 0.68 0.00 1.82 0.00 -1.10 -1.18 119.26 120.73 2ot9 h ALA 48 Ca 0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2ot9 h ALA 48 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ot9 h ALA 48 CO -0.24 0.47 -0.56 0.35 0.00 0.00 0.00 179.25 179.27 2ot9 h PHE 49 N 0.75 0.00 0.00 0.00 3.57 -0.67 -3.06 116.94 117.52 2ot9 h PHE 49 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2ot9 h PHE 49 Cb 0.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2ot9 h PHE 49 CO 0.04 0.56 -0.41 0.91 -2.23 0.00 0.00 178.31 177.19 2ot9 n TRP 50 N -3.84 0.00 -1.54 0.41 8.01 -0.19 -5.08 117.44 115.21 2ot9 n TRP 50 Ca -0.01 -1.35 -0.50 0.00 -1.31 0.00 0.00 57.50 54.33 2ot9 n TRP 50 Cb 0.57 -0.22 -0.04 0.00 -2.01 0.00 0.00 31.31 29.61 2ot9 n TRP 50 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.69 177.66 2ot9 n TYR 51 N -1.14 0.96 -3.64 -5.99 9.36 -0.45 -4.94 117.16 111.32 2ot9 n TYR 51 Ca 0.18 0.77 -0.16 0.00 3.32 0.00 0.00 57.90 62.01 2ot9 n TYR 51 Cb 0.69 -2.21 -0.07 0.00 -0.63 0.00 0.00 39.34 37.12 2ot9 n TYR 51 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2ot9 s ASN 52 N -0.19 -0.45 0.60 2.98 3.84 -1.26 -5.01 114.94 115.44 2ot9 s ASN 52 Ca 0.73 0.50 0.31 0.00 0.21 0.00 0.00 52.86 54.61 2ot9 s ASN 52 Cb -0.90 0.51 1.81 0.00 -0.55 0.00 0.00 41.25 42.12 2ot9 s ASN 52 CO 0.54 -0.49 2.19 1.05 -2.79 0.00 0.00 177.10 177.60 2ot9 h GLU 53 N 3.64 0.00 -0.01 0.43 4.11 -2.01 -2.13 114.58 118.60 2ot9 h GLU 53 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2ot9 h GLU 53 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ot9 h GLU 53 CO 0.37 0.00 -0.18 1.04 0.07 0.00 0.00 179.01 180.30 2ot9 n GLN 54 N -3.71 1.39 -2.46 1.06 3.00 -1.26 -4.89 117.38 110.51 2ot9 n GLN 54 Ca -0.01 -0.96 -0.42 0.00 -0.01 0.00 0.00 57.00 55.60 2ot9 n GLN 54 Cb 0.20 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.93 2ot9 n GLN 54 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2ot9 s LEU 55 N -2.27 4.39 0.08 1.08 2.96 -0.80 -3.70 118.68 120.41 2ot9 s LEU 55 Ca 0.28 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 56.23 2ot9 s LEU 55 Cb 0.20 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 2ot9 s LEU 55 CO 0.44 -0.41 -0.12 0.00 -1.32 0.00 0.00 176.35 174.94 2ot9 s ALA 56 N 0.82 1.06 0.19 5.97 0.00 -0.20 -4.90 121.76 124.70 2ot9 s ALA 56 Ca 0.56 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2ot9 s ALA 56 Cb -0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 2ot9 s ALA 56 CO 0.30 0.07 1.17 -0.06 0.00 0.00 0.00 175.76 177.24 2ot9 s PHE 57 N -1.68 3.47 0.10 0.00 0.08 -1.26 -1.24 117.98 117.45 2ot9 s PHE 57 Ca -0.01 1.49 -0.00 0.00 0.12 0.00 0.00 56.93 58.53 2ot9 s PHE 57 Cb -0.08 -3.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.01 2ot9 s PHE 57 CO 0.01 -1.01 0.14 0.41 -0.10 0.00 0.00 175.22 174.67 2ot9 n GLY 58 N 2.05 0.53 0.22 4.36 0.00 -0.28 -4.88 105.19 107.19 2ot9 n GLY 58 Ca 0.03 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.26 2ot9 n GLY 58 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ot9 h ARG 59 N 0.00 0.00 0.00 1.61 3.08 -1.84 -3.47 114.38 113.76 2ot9 h ARG 59 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2ot9 h ARG 59 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2ot9 h ARG 59 CO 0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 2ot9 n GLY 60 N 0.53 3.24 0.29 0.04 0.00 -0.94 -3.19 105.19 105.17 2ot9 n GLY 60 Ca 0.03 -0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.02 2ot9 n GLY 60 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2ot9 h LEU 61 N 0.00 0.00 0.00 0.99 8.10 -1.89 -2.47 115.31 120.05 2ot9 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2ot9 h LEU 61 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2ot9 h LEU 61 CO 0.00 0.00 -0.04 -1.54 -4.11 0.00 0.00 178.44 172.75 2ot9 n SER 62 N -2.84 0.23 -3.59 0.17 3.41 -1.19 -4.67 113.62 105.15 2ot9 n SER 62 Ca -0.02 0.47 -0.21 0.00 -0.26 0.00 0.00 58.87 58.84 2ot9 n SER 62 Cb 0.07 -0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 63.35 2ot9 n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ot9 s ASP 63 N -3.39 1.57 0.60 4.04 -1.08 -0.93 -5.04 116.67 112.45 2ot9 s ASP 63 Ca 0.13 -0.22 0.32 0.00 -0.52 0.00 0.00 52.55 52.27 2ot9 s ASP 63 Cb 0.17 0.09 1.91 0.00 -1.46 0.00 0.00 42.92 43.63 2ot9 s ASP 63 CO 0.56 -0.31 2.26 -0.37 0.52 0.00 0.00 175.17 177.83 2ot9 h VAL 64 N 6.37 0.42 -0.03 1.11 -1.51 -1.83 -2.18 116.25 118.61 2ot9 h VAL 64 Ca -0.15 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2ot9 h VAL 64 Cb 1.14 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2ot9 h VAL 64 CO 0.24 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 177.06 2ot9 n ASP 65 N -3.68 1.16 -4.33 4.19 8.00 -1.26 -4.87 116.55 115.76 2ot9 n ASP 65 Ca -0.03 -1.41 -0.26 0.00 0.71 0.00 0.00 54.79 53.80 2ot9 n ASP 65 Cb 0.09 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 2ot9 n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ot9 s GLU 66 N -1.98 1.25 0.83 -1.24 2.02 -0.82 -5.12 118.70 113.64 2ot9 s GLU 66 Ca 0.39 -1.26 -0.08 0.00 0.02 0.00 0.00 54.97 54.04 2ot9 s GLU 66 Cb 0.21 -1.62 0.15 0.00 0.10 0.00 0.00 34.13 32.97 2ot9 s GLU 66 CO 0.33 0.38 1.15 -1.25 0.02 0.00 0.00 175.26 175.88 2ot9 s PRO 67 N -2.02 1.27 0.15 0.39 0.04 -1.26 -4.39 135.00 129.19 2ot9 s PRO 67 Ca 0.10 -0.70 -0.13 0.00 0.04 0.00 0.00 61.00 60.31 2ot9 s PRO 67 Cb -0.10 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.38 2ot9 s PRO 67 CO 0.05 -1.86 1.66 0.00 0.04 0.00 0.00 177.00 176.89 2ot9 h ALA 68 N -1.04 0.68 -2.67 8.56 0.00 -1.72 -2.48 119.26 120.58 2ot9 h ALA 68 Ca -0.41 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 2ot9 h ALA 68 Cb 1.26 -0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 2ot9 h ALA 68 CO 0.42 0.37 -0.50 -0.51 0.00 0.00 0.00 179.25 179.03 2ot9 s LEU 69 N -9.60 1.65 -0.05 0.00 1.02 -0.62 -1.13 118.68 109.95 2ot9 s LEU 69 Ca -0.13 -0.37 -0.17 0.00 0.02 0.00 0.00 54.13 53.48 2ot9 s LEU 69 Cb 0.12 0.67 0.03 0.00 0.02 0.00 0.00 46.19 47.03 2ot9 s LEU 69 CO 0.80 -0.45 0.39 -1.66 0.02 0.00 0.00 176.35 175.45 2ot9 s TRP 70 N -2.04 -0.32 -0.20 0.29 -2.14 -0.38 -0.57 118.94 113.58 2ot9 s TRP 70 Ca -0.10 0.60 -0.05 0.00 2.66 0.00 0.00 56.10 59.22 2ot9 s TRP 70 Cb -0.04 0.16 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 2ot9 s TRP 70 CO -0.02 -0.38 -0.01 -2.00 -2.66 0.00 0.00 176.95 171.88 2ot9 s GLU 71 N -0.94 3.56 0.16 3.25 2.12 -0.41 -1.03 118.70 125.40 2ot9 s GLU 71 Ca -0.10 -0.55 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2ot9 s GLU 71 Cb -0.04 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2ot9 s GLU 71 CO 0.04 -0.03 -0.11 0.15 -0.54 0.00 0.00 175.26 174.77 2ot9 s LYS 72 N 1.09 2.01 0.93 4.30 1.02 -1.24 -0.17 119.74 127.67 2ot9 s LYS 72 Ca 0.02 -1.22 -0.12 0.00 0.02 0.00 0.00 55.97 54.67 2ot9 s LYS 72 Cb -0.14 -2.17 0.15 0.00 -0.52 0.00 0.00 37.83 35.15 2ot9 s LYS 72 CO 0.01 0.45 1.12 -1.54 -0.92 0.00 0.00 175.35 174.48 2ot9 s SER 73 N -2.60 3.28 0.57 2.83 1.04 0.11 -4.86 113.70 114.07 2ot9 s SER 73 Ca 0.23 1.03 0.38 0.00 0.48 0.00 0.00 55.95 58.07 2ot9 s SER 73 Cb -0.09 -1.63 2.06 0.00 0.10 0.00 0.00 66.02 66.46 2ot9 s SER 73 CO 0.14 -2.70 2.17 -0.07 0.98 0.00 0.00 173.24 173.76 2ot9 h LEU 74 N -1.60 0.00 -1.65 2.42 -0.00 -2.01 -0.18 115.31 112.28 2ot9 h LEU 74 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2ot9 h LEU 74 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2ot9 h LEU 74 CO 0.61 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.52 2ot9 n ASP 75 N -2.86 2.42 -0.77 -0.43 8.00 -1.26 -4.92 116.55 116.74 2ot9 n ASP 75 Ca -0.02 -2.08 -0.09 0.00 0.71 0.00 0.00 54.79 53.31 2ot9 n ASP 75 Cb 0.07 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2ot9 n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ot9 n ASP 76 N 0.66 -3.83 -4.91 -2.24 4.64 -0.08 -5.03 116.55 105.76 2ot9 n ASP 76 Ca 0.14 0.16 -0.33 0.00 -1.38 0.00 0.00 54.79 53.39 2ot9 n ASP 76 Cb 0.41 -2.37 -0.05 0.00 -1.04 0.00 0.00 41.12 38.07 2ot9 n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 2ot9 s ARG 77 N -3.18 3.43 -0.17 -0.67 0.52 -1.26 -4.80 118.95 112.82 2ot9 s ARG 77 Ca 0.00 -0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 54.56 2ot9 s ARG 77 Cb 0.00 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.40 2ot9 s ARG 77 CO 0.00 0.65 0.96 0.08 0.02 0.00 0.00 175.30 177.01 2ot9 s VAL 78 N -1.38 4.78 -0.06 3.52 1.01 -1.26 0.08 120.40 127.09 2ot9 s VAL 78 Ca 0.30 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.18 2ot9 s VAL 78 Cb -0.13 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 2ot9 s VAL 78 CO 0.22 -0.05 0.59 -0.07 0.00 0.00 0.00 175.10 175.79 2ot9 h LEU 79 N 8.64 0.28 -7.23 3.92 3.38 -0.90 -3.23 115.31 120.18 2ot9 h LEU 79 Ca -0.26 -0.55 -0.17 0.00 0.09 0.00 0.00 57.88 56.99 2ot9 h LEU 79 Cb 1.11 -0.09 -0.30 0.00 0.09 0.00 0.00 40.66 41.47 2ot9 h LEU 79 CO 0.89 1.48 -0.45 -2.28 0.09 0.00 0.00 178.44 178.17 2ot9 s HIS 80 N -2.59 -0.49 -0.26 1.13 5.04 -0.98 -2.51 115.29 114.63 2ot9 s HIS 80 Ca -0.13 1.07 -0.03 0.00 -1.54 0.00 0.00 55.06 54.42 2ot9 s HIS 80 Cb 0.07 0.09 0.02 0.00 0.04 0.00 0.00 32.58 32.80 2ot9 s HIS 80 CO 0.81 -0.34 -0.01 -0.46 -2.34 0.00 0.00 174.74 172.39 2ot9 s TRP 81 N 2.00 3.10 -0.18 3.88 -0.11 -0.09 -1.29 118.94 126.25 2ot9 s TRP 81 Ca -0.04 -1.35 -0.01 0.00 1.22 0.00 0.00 56.10 55.92 2ot9 s TRP 81 Cb -0.11 -2.13 -0.00 0.00 -1.50 0.00 0.00 33.47 29.73 2ot9 s TRP 81 CO -0.10 -0.67 -0.12 0.42 -4.62 0.00 0.00 176.95 171.86 2ot9 s ILE 82 N 1.39 2.83 0.33 5.86 1.01 0.26 -0.70 121.20 132.18 2ot9 s ILE 82 Ca 0.01 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.04 2ot9 s ILE 82 Cb -0.17 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2ot9 s ILE 82 CO -0.02 0.49 0.22 -1.61 0.00 0.00 0.00 174.94 174.02 2ot9 s GLU 83 N 1.08 2.60 0.09 2.79 0.41 -0.16 -1.59 118.70 123.93 2ot9 s GLU 83 Ca 0.00 -1.37 0.05 0.00 -0.41 0.00 0.00 54.97 53.24 2ot9 s GLU 83 Cb -0.14 -2.36 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 2ot9 s GLU 83 CO -0.03 0.14 -0.13 0.14 -0.49 0.00 0.00 175.26 174.89 2ot9 s VAL 84 N -2.33 1.10 0.00 2.63 -7.23 -1.26 -1.49 120.40 111.81 2ot9 s VAL 84 Ca 0.39 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2ot9 s VAL 84 Cb -0.05 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.61 2ot9 s VAL 84 CO 0.25 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 2ot9 n GLY 85 N 0.83 0.89 2.47 2.32 0.00 -0.65 -4.63 105.19 106.43 2ot9 n GLY 85 Ca -0.18 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 2ot9 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ot9 n GLN 86 N 2.56 1.86 -1.92 1.61 6.02 -1.26 -3.72 117.38 122.52 2ot9 n GLN 86 Ca 0.00 -3.99 -0.35 0.00 -0.01 0.00 0.00 57.00 52.65 2ot9 n GLN 86 Cb 0.00 -1.88 0.04 0.00 1.02 0.00 0.00 30.24 29.42 2ot9 n GLN 86 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2ot9 s PRO 87 N -2.64 2.89 0.81 -1.09 0.04 -1.26 -5.02 135.00 128.73 2ot9 s PRO 87 Ca 0.42 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 2ot9 s PRO 87 Cb 0.29 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.98 2ot9 s PRO 87 CO -0.10 -1.23 1.17 0.16 0.04 0.00 0.00 177.00 177.04 2ot9 s ASP 88 N -1.91 4.37 0.37 6.66 1.47 -1.26 -4.89 116.67 121.47 2ot9 s ASP 88 Ca 0.74 0.67 0.09 0.00 1.18 0.00 0.00 52.55 55.22 2ot9 s ASP 88 Cb -0.27 -1.12 0.72 0.00 -0.34 0.00 0.00 42.92 41.91 2ot9 s ASP 88 CO 0.35 -1.97 1.88 0.00 0.68 0.00 0.00 175.17 176.11 2ot9 h ALA 89 N -1.06 1.43 -0.43 2.11 0.00 -1.92 -2.30 119.26 117.09 2ot9 h ALA 89 Ca -0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2ot9 h ALA 89 Cb 1.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2ot9 h ALA 89 CO 0.62 0.40 0.23 -0.44 0.00 0.00 0.00 179.25 180.06 2ot9 h ASP 90 N 0.23 0.54 -0.33 0.00 3.32 -1.96 -0.51 116.42 117.71 2ot9 h ASP 90 Ca 0.04 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2ot9 h ASP 90 Cb 0.45 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2ot9 h ASP 90 CO 0.03 0.48 0.03 -0.09 -1.72 0.00 0.00 179.24 177.96 2ot9 h ARG 91 N 0.55 0.56 -0.96 3.56 2.43 -1.85 -1.17 114.38 117.50 2ot9 h ARG 91 Ca 0.15 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2ot9 h ARG 91 Cb 0.06 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2ot9 h ARG 91 CO -0.02 0.66 0.63 -0.07 -1.51 0.00 0.00 179.97 179.66 2ot9 h LEU 92 N 0.37 1.07 0.14 3.80 3.38 -1.39 0.19 115.31 122.87 2ot9 h LEU 92 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2ot9 h LEU 92 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ot9 h LEU 92 CO 0.01 0.76 -0.07 0.74 0.09 0.00 0.00 178.44 179.97 2ot9 h THR 93 N 1.25 0.90 -0.22 0.22 2.02 -0.56 -1.64 112.91 114.89 2ot9 h THR 93 Ca 0.37 -0.17 -0.20 0.00 0.77 0.00 0.00 66.41 67.18 2ot9 h THR 93 Cb -0.07 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2ot9 h THR 93 CO -0.10 0.04 -0.64 -0.50 0.37 0.00 0.00 175.52 174.69 2ot9 h TRP 94 N -0.27 1.03 -0.60 3.16 6.55 -1.06 -3.08 115.95 121.68 2ot9 h TRP 94 Ca -0.02 -0.40 -0.04 0.00 0.95 0.00 0.00 58.89 59.38 2ot9 h TRP 94 Cb 0.21 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.31 2ot9 h TRP 94 CO -0.04 1.22 0.22 0.00 -1.05 0.00 0.00 178.44 178.79 2ot9 h SER 96 N 0.84 0.00 0.90 0.00 4.64 -1.23 0.31 113.55 119.01 2ot9 h SER 96 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2ot9 h SER 96 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ot9 h SER 96 CO -0.01 0.00 -0.08 0.03 -0.87 0.00 0.00 176.83 175.90 2ot9 h ARG 97 N 0.00 0.00 -0.00 4.77 3.08 -1.45 -3.15 114.38 117.62 2ot9 h ARG 97 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ot9 h ARG 97 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2ot9 h ARG 97 CO -0.00 0.08 -0.22 0.54 -1.07 0.00 0.00 179.97 179.30 2ot9 n ARG 98 N -3.23 0.50 -4.02 0.04 1.74 0.11 -4.96 116.66 106.84 2ot9 n ARG 98 Ca 0.00 -0.23 -0.08 0.00 -0.77 0.00 0.00 57.85 56.77 2ot9 n ARG 98 Cb 0.33 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 2ot9 n ARG 98 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2ot9 s THR 99 N -2.65 0.17 -0.06 0.55 -1.32 -1.19 -4.31 115.64 106.82 2ot9 s THR 99 Ca 0.22 -1.61 0.13 0.00 -1.21 0.00 0.00 61.69 59.22 2ot9 s THR 99 Cb 0.19 -1.57 -0.06 0.00 -1.51 0.00 0.00 72.50 69.55 2ot9 s THR 99 CO 0.54 -0.77 1.28 -0.08 -2.21 0.00 0.00 174.62 173.38 2ot9 h GLU 100 N 2.95 0.00 -3.58 7.08 4.81 -1.64 -3.46 114.58 120.74 2ot9 h GLU 100 Ca -0.34 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.60 2ot9 h GLU 100 Cb 1.17 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.22 2ot9 h GLU 100 CO 0.61 0.62 -0.73 0.50 -0.73 0.00 0.00 179.01 179.28 2ot9 s ARG 101 N -2.86 0.00 -0.09 1.92 3.52 -1.04 -4.77 118.95 115.63 2ot9 s ARG 101 Ca 0.02 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 2ot9 s ARG 101 Cb 0.08 -0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.24 2ot9 s ARG 101 CO 0.78 -0.13 -0.22 0.99 -0.81 0.00 0.00 175.30 175.90 2ot9 s THR 102 N 0.88 2.26 0.08 4.11 2.01 -0.43 -0.91 115.64 123.65 2ot9 s THR 102 Ca -0.07 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.02 2ot9 s THR 102 Cb -0.11 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2ot9 s THR 102 CO -0.02 0.56 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.86 2ot9 s SER 103 N 0.10 2.00 -0.05 3.53 0.01 0.12 -1.06 113.70 118.35 2ot9 s SER 103 Ca -0.10 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2ot9 s SER 103 Cb -0.16 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2ot9 s SER 103 CO 0.06 -0.03 -0.04 -0.22 0.41 0.00 0.00 173.24 173.42 2ot9 s LEU 104 N -1.83 1.20 -0.54 2.44 2.96 0.10 -0.99 118.68 122.03 2ot9 s LEU 104 Ca 0.01 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 2ot9 s LEU 104 Cb -0.10 -0.49 0.11 0.00 0.50 0.00 0.00 46.19 46.21 2ot9 s LEU 104 CO 0.03 -0.08 0.55 -0.76 -1.32 0.00 0.00 176.35 174.77 2ot9 s LEU 105 N 1.15 5.79 0.39 -0.68 1.43 -0.56 -1.40 118.68 124.80 2ot9 s LEU 105 Ca -0.07 -1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 51.32 2ot9 s LEU 105 Cb -0.14 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 2ot9 s LEU 105 CO -0.01 -0.89 0.82 0.00 0.23 0.00 0.00 176.35 176.49 2ot9 s ALA 106 N 1.97 3.24 0.26 4.21 0.00 0.61 -1.63 121.76 130.42 2ot9 s ALA 106 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 2ot9 s ALA 106 Cb -0.27 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 2ot9 s ALA 106 CO 0.05 0.15 0.50 1.52 0.00 0.00 0.00 175.76 177.98 2ot9 s TYR 107 N -2.19 0.36 0.00 0.00 -0.85 -1.24 -1.13 117.35 112.29 2ot9 s TYR 107 Ca 0.56 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2ot9 s TYR 107 Cb -0.10 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.46 2ot9 s TYR 107 CO 0.21 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.63 2ot9 n GLY 108 N -0.40 -3.08 3.65 5.49 0.00 -1.26 -4.68 105.19 104.91 2ot9 n GLY 108 Ca -0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2ot9 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ot9 s SER 109 N -1.39 6.61 0.00 1.61 0.15 -1.26 -4.92 113.70 114.50 2ot9 s SER 109 Ca 0.00 2.04 0.19 0.00 0.70 0.00 0.00 55.95 58.88 2ot9 s SER 109 Cb 0.00 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.92 2ot9 s SER 109 CO 0.00 -1.01 1.10 0.18 1.20 0.00 0.00 173.24 174.71 2ot9 n LEU 110 N 7.47 2.55 -0.06 3.45 4.77 -1.26 -4.70 117.00 129.21 2ot9 n LEU 110 Ca 0.18 -0.99 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 2ot9 n LEU 110 Cb 0.44 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2ot9 n LEU 110 CO 0.62 0.44 0.89 0.03 -1.33 0.00 0.00 177.39 178.05 2ot9 h ARG 111 N 3.65 0.14 -0.10 3.23 -0.00 -2.00 0.16 114.38 119.46 2ot9 h ARG 111 Ca 0.00 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.40 2ot9 h ARG 111 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.73 2ot9 h ARG 111 CO 0.00 0.09 -0.22 0.28 0.00 0.00 0.00 179.97 180.12 2ot9 h VAL 112 N 0.14 1.40 -0.05 2.04 2.07 -2.01 -3.19 116.25 116.65 2ot9 h VAL 112 Ca 0.12 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2ot9 h VAL 112 Cb 0.12 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2ot9 h VAL 112 CO -0.16 0.44 -0.13 -0.25 0.02 0.00 0.00 177.57 177.49 2ot9 h TRP 113 N -0.13 -0.34 -0.74 1.57 7.01 -1.79 -2.84 115.95 118.69 2ot9 h TRP 113 Ca -0.00 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2ot9 h TRP 113 Cb 0.82 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 2ot9 h TRP 113 CO 0.11 -0.20 0.49 1.05 -2.79 0.00 0.00 178.44 177.10 2ot9 h GLU 114 N -0.20 0.93 -0.39 2.65 4.11 -0.79 -0.21 114.58 120.67 2ot9 h GLU 114 Ca 0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 2ot9 h GLU 114 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2ot9 h GLU 114 CO -0.17 0.62 -0.00 0.78 0.07 0.00 0.00 179.01 180.31 2ot9 h GLY 115 N 0.96 0.68 0.73 1.06 0.00 -1.49 -1.21 103.07 103.80 2ot9 h GLY 115 Ca 0.28 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.97 2ot9 h GLY 115 CO -0.07 0.39 -0.98 0.50 0.00 0.00 0.00 176.54 176.38 2ot9 h LYS 116 N 0.60 0.32 0.08 4.80 1.57 -1.17 -3.41 116.57 119.36 2ot9 h LYS 116 Ca 0.12 -0.55 -0.21 0.00 -1.87 0.00 0.00 60.65 58.15 2ot9 h LYS 116 Cb 0.38 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2ot9 h LYS 116 CO 0.01 1.26 -1.07 0.28 -0.57 0.00 0.00 179.45 179.37 2ot9 h VAL 117 N -0.30 1.21 -0.59 0.50 2.07 -0.97 -3.36 116.25 114.81 2ot9 h VAL 117 Ca -0.18 -2.38 0.03 0.00 0.82 0.00 0.00 66.70 64.99 2ot9 h VAL 117 Cb 1.72 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 34.28 2ot9 h VAL 117 CO 0.15 0.63 0.36 0.40 0.02 0.00 0.00 177.57 179.13 2ot9 h ILE 118 N -0.53 1.05 0.00 4.57 1.08 -1.43 -1.37 117.51 120.88 2ot9 h ILE 118 Ca -0.24 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2ot9 h ILE 118 Cb 1.55 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 2ot9 h ILE 118 CO 0.02 0.13 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.95 2ot9 h PRO 119 N 0.70 0.00 -0.00 2.37 0.11 -1.76 -3.19 132.00 130.23 2ot9 h PRO 119 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2ot9 h PRO 119 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2ot9 h PRO 119 CO -0.11 0.01 -0.54 0.00 -0.21 0.00 0.00 178.00 177.15 2ot9 n ALA 120 N -2.10 3.68 -0.66 -0.75 0.00 -0.53 -4.15 120.51 116.00 2ot9 n ALA 120 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.08 2ot9 n ALA 120 Cb 0.23 -1.04 0.17 0.00 0.00 0.00 0.00 19.45 18.81 2ot9 n ALA 120 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2ot9 n ILE 121 N -1.27 1.69 -0.29 0.00 -5.35 -1.13 -4.72 119.36 108.28 2ot9 n ILE 121 Ca 0.07 -1.61 0.05 0.00 -0.27 0.00 0.00 62.75 60.99 2ot9 n ILE 121 Cb 0.34 0.05 0.20 0.00 -1.74 0.00 0.00 39.64 38.49 2ot9 n ILE 121 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2ot9 h LYS 122 N 1.24 0.67 -0.01 6.28 1.79 -1.72 -2.32 116.57 122.50 2ot9 h LYS 122 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ot9 h LYS 122 Cb 1.04 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2ot9 h LYS 122 CO 0.09 0.44 -0.02 0.09 -1.08 0.00 0.00 179.45 178.98 2ot9 n ASN 123 N -4.82 1.11 -4.79 0.86 3.02 -1.26 -4.89 115.26 104.50 2ot9 n ASN 123 Ca 0.15 -1.33 -0.36 0.00 -0.03 0.00 0.00 54.58 53.02 2ot9 n ASN 123 Cb 0.37 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2ot9 n ASN 123 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ot9 s LEU 124 N -2.04 4.00 -0.20 3.41 1.43 -0.88 -5.01 118.68 119.39 2ot9 s LEU 124 Ca 0.39 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.39 2ot9 s LEU 124 Cb 0.21 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2ot9 s LEU 124 CO 0.36 -0.70 0.37 -0.54 0.23 0.00 0.00 176.35 176.07 2ot9 s LYS 125 N -2.83 4.17 -1.28 1.70 1.02 -1.26 -4.51 119.74 116.75 2ot9 s LYS 125 Ca 0.63 0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.65 2ot9 s LYS 125 Cb -0.21 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2ot9 s LYS 125 CO 0.26 -0.01 0.60 -1.71 -0.92 0.00 0.00 175.35 173.57 2ot9 n ASN 126 N 4.38 -2.76 -4.63 2.83 5.15 -1.26 -4.71 115.26 114.26 2ot9 n ASN 126 Ca -0.09 -1.04 -0.34 0.00 -0.60 0.00 0.00 54.58 52.50 2ot9 n ASN 126 Cb 0.51 -3.05 -0.10 0.00 -0.53 0.00 0.00 39.78 36.61 2ot9 n ASN 126 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ot9 s VAL 127 N -3.72 4.56 -0.07 3.44 1.01 -1.26 -1.32 120.40 123.05 2ot9 s VAL 127 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2ot9 s VAL 127 Cb -0.10 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2ot9 s VAL 127 CO 0.89 0.50 -0.08 0.20 0.00 0.00 0.00 175.10 176.61 2ot9 s ASN 128 N 0.10 1.57 -0.07 3.32 0.01 -0.22 -4.25 114.94 115.39 2ot9 s ASN 128 Ca 0.04 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 51.95 2ot9 s ASN 128 Cb -0.13 -0.68 0.03 0.00 0.41 0.00 0.00 41.25 40.88 2ot9 s ASN 128 CO 0.01 -0.04 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.91 2ot9 s ILE 129 N 1.04 0.50 0.08 0.60 1.01 -0.05 0.02 121.20 124.39 2ot9 s ILE 129 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.64 2ot9 s ILE 129 Cb -0.14 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2ot9 s ILE 129 CO -0.00 0.26 -0.18 0.00 0.00 0.00 0.00 174.94 175.02 2ot9 s ALA 130 N 1.62 1.54 -0.07 9.38 0.00 -0.49 -0.05 121.76 133.69 2ot9 s ALA 130 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 2ot9 s ALA 130 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2ot9 s ALA 130 CO -0.04 0.29 -0.01 0.00 0.00 0.00 0.00 175.76 176.00 2ot9 s ALA 131 N -1.10 3.23 -0.18 0.00 0.00 0.75 -0.28 121.76 124.17 2ot9 s ALA 131 Ca 0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 2ot9 s ALA 131 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2ot9 s ALA 131 CO 0.03 0.59 0.39 0.08 0.00 0.00 0.00 175.76 176.86 2ot9 s VAL 132 N -0.89 5.21 0.41 0.00 1.01 -0.29 -1.47 120.40 124.38 2ot9 s VAL 132 Ca 0.14 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 62.58 2ot9 s VAL 132 Cb -0.11 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2ot9 s VAL 132 CO 0.03 0.28 1.37 -2.84 0.00 0.00 0.00 175.10 173.95 2ot9 s PRO 133 N 1.09 3.93 0.23 2.72 0.02 -1.26 -4.60 135.00 137.13 2ot9 s PRO 133 Ca 0.20 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2ot9 s PRO 133 Cb -0.14 -2.78 0.24 0.00 0.02 0.00 0.00 34.50 31.83 2ot9 s PRO 133 CO 0.08 -0.58 1.59 0.37 -0.33 0.00 0.00 177.00 178.12 2ot9 h GLN 134 N 2.67 0.46 0.28 5.54 5.75 -1.97 -2.83 115.11 125.00 2ot9 h GLN 134 Ca -0.50 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 57.74 2ot9 h GLN 134 Cb 1.25 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 2ot9 h GLN 134 CO 0.63 0.83 -0.18 0.38 -2.65 0.00 0.00 178.83 177.84 2ot9 h ASP 135 N 0.37 -0.45 0.32 -0.69 3.04 -2.00 -0.49 116.42 116.52 2ot9 h ASP 135 Ca 0.02 0.03 -0.12 0.00 -3.24 0.00 0.00 57.03 53.72 2ot9 h ASP 135 Cb 0.96 0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.37 2ot9 h ASP 135 CO 0.08 -0.29 -0.50 1.62 -2.04 0.00 0.00 179.24 178.12 2ot9 h VAL 136 N -0.44 1.35 -0.48 4.15 3.04 -1.92 -2.72 116.25 119.23 2ot9 h VAL 136 Ca -0.02 -1.73 -0.01 0.00 -1.01 0.00 0.00 66.70 63.92 2ot9 h VAL 136 Cb 0.38 1.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2ot9 h VAL 136 CO 0.02 0.51 0.25 0.25 -1.01 0.00 0.00 177.57 177.59 2ot9 h LEU 137 N 0.16 0.61 -0.76 3.16 5.85 -1.30 -0.56 115.31 122.47 2ot9 h LEU 137 Ca 0.01 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2ot9 h LEU 137 Cb 0.94 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2ot9 h LEU 137 CO 0.08 0.54 0.32 -0.33 -0.34 0.00 0.00 178.44 178.71 2ot9 h GLU 138 N 0.63 1.13 -0.15 1.25 5.08 -0.82 -0.62 114.58 121.08 2ot9 h GLU 138 Ca 0.17 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ot9 h GLU 138 Cb 0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2ot9 h GLU 138 CO -0.02 0.91 0.08 0.28 -1.00 0.00 0.00 179.01 179.25 2ot9 h VAL 139 N 1.09 1.01 -0.77 3.13 2.07 -1.29 -1.64 116.25 119.84 2ot9 h VAL 139 Ca 0.25 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 2ot9 h VAL 139 Cb 0.19 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2ot9 h VAL 139 CO -0.02 0.03 0.29 -0.07 0.02 0.00 0.00 177.57 177.82 2ot9 h LEU 140 N 0.17 1.08 0.04 2.57 3.38 -0.77 -3.33 115.31 118.44 2ot9 h LEU 140 Ca 0.06 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 2ot9 h LEU 140 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2ot9 h LEU 140 CO -0.03 0.96 -1.54 0.00 0.09 0.00 0.00 178.44 177.92 2ot9 h ALA 141 N 1.18 0.53 -1.85 1.53 0.00 -1.04 -3.48 119.26 116.15 2ot9 h ALA 141 Ca 0.26 -1.26 -0.66 0.00 0.00 0.00 0.00 54.91 53.25 2ot9 h ALA 141 Cb 0.24 0.32 0.04 0.00 0.00 0.00 0.00 17.79 18.38 2ot9 h ALA 141 CO -0.02 1.38 0.80 1.17 0.00 0.00 0.00 179.25 182.58 2ot9 n LYS 142 N -3.25 1.60 -1.26 0.00 4.81 -0.63 -4.75 118.16 114.68 2ot9 n LYS 142 Ca -0.15 0.58 0.08 0.00 -0.87 0.00 0.00 58.31 57.96 2ot9 n LYS 142 Cb 1.03 -2.31 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 2ot9 n LYS 142 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2ot9 n ASP 143 N 4.45 -5.66 -4.39 3.14 8.00 -1.26 -5.04 116.55 115.79 2ot9 n ASP 143 Ca 0.21 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.65 2ot9 n ASP 143 Cb 0.22 -4.01 -0.10 0.00 -0.02 0.00 0.00 41.12 37.20 2ot9 n ASP 143 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2ot9 s PRO 145 N -4.72 1.46 0.33 -0.24 0.04 -1.26 -5.17 135.00 125.44 2ot9 s PRO 145 Ca 0.00 -1.75 0.08 0.00 0.04 0.00 0.00 61.00 59.38 2ot9 s PRO 145 Cb 0.00 -0.90 0.59 0.00 0.04 0.00 0.00 34.50 34.22 2ot9 s PRO 145 CO 0.00 -0.04 1.78 0.00 0.04 0.00 0.00 177.00 178.78 2ot9 h ARG 146 N 2.35 0.21 -4.64 4.56 2.47 -1.93 -3.37 114.38 114.02 2ot9 h ARG 146 Ca -0.39 -0.08 -0.70 0.00 -1.26 0.00 0.00 59.98 57.55 2ot9 h ARG 146 Cb 1.23 -0.01 -0.26 0.00 -1.65 0.00 0.00 29.97 29.28 2ot9 h ARG 146 CO 0.66 0.51 -0.56 0.08 0.56 0.00 0.00 179.97 181.23 2ot9 s VAL 147 N -4.32 4.22 -0.36 2.04 1.01 -1.26 -0.90 120.40 120.82 2ot9 s VAL 147 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2ot9 s VAL 147 Cb 0.14 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2ot9 s VAL 147 CO 0.75 -0.18 0.36 -0.63 0.00 0.00 0.00 175.10 175.40 2ot9 s ILE 148 N 1.49 5.18 -0.28 2.22 1.01 0.53 -4.99 121.20 126.35 2ot9 s ILE 148 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2ot9 s ILE 148 Cb -0.19 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2ot9 s ILE 148 CO 0.05 -0.15 0.00 -0.54 0.00 0.00 0.00 174.94 174.30 2ot9 s LYS 149 N 1.98 2.80 -0.05 2.79 1.02 -1.26 -0.10 119.74 126.91 2ot9 s LYS 149 Ca 0.11 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.12 2ot9 s LYS 149 Cb -0.17 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2ot9 s LYS 149 CO 0.12 -0.48 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.27 2ot9 s TRP 150 N 1.36 2.11 -0.24 3.18 0.52 -0.57 -4.58 118.94 120.73 2ot9 s TRP 150 Ca -0.01 -0.64 -0.12 0.00 0.02 0.00 0.00 56.10 55.35 2ot9 s TRP 150 Cb -0.18 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2ot9 s TRP 150 CO -0.01 -0.21 0.23 -0.51 0.02 0.00 0.00 176.95 176.47 2ot9 s ASP 151 N -0.01 6.19 0.41 2.95 1.11 -0.42 -1.59 116.67 125.29 2ot9 s ASP 151 Ca -0.05 0.20 0.01 0.00 0.18 0.00 0.00 52.55 52.88 2ot9 s ASP 151 Cb -0.13 -2.14 0.01 0.00 1.07 0.00 0.00 42.92 41.72 2ot9 s ASP 151 CO 0.03 0.00 0.05 0.52 1.18 0.00 0.00 175.17 176.96 2ot9 n VAL 152 N 4.45 0.00 -3.31 -1.27 0.31 0.02 0.30 118.33 118.82 2ot9 n VAL 152 Ca -0.13 -1.86 0.03 0.00 -0.01 0.00 0.00 64.34 62.36 2ot9 n VAL 152 Cb 0.52 0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 33.71 2ot9 n VAL 152 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ot9 s ILE 154 N -2.40 -0.40 -0.04 2.52 1.01 -0.46 -0.49 121.20 120.95 2ot9 s ILE 154 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2ot9 s ILE 154 Cb -0.00 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.50 2ot9 s ILE 154 CO 0.02 0.00 0.07 -0.55 0.00 0.00 0.00 174.94 174.48 2ot9 s SER 155 N 2.49 0.42 -1.60 3.58 0.15 -0.44 -0.70 113.70 117.59 2ot9 s SER 155 Ca -0.01 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 2ot9 s SER 155 Cb -0.06 -0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 2ot9 s SER 155 CO -0.16 -0.18 0.87 -0.62 1.20 0.00 0.00 173.24 174.36 2ot9 n GLU 156 N 4.62 -4.38 -0.12 5.44 1.02 -1.26 -1.22 120.64 124.74 2ot9 n GLU 156 Ca -0.18 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2ot9 n GLU 156 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 2ot9 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ot9 n GLY 157 N -1.57 2.44 3.82 0.62 0.00 -1.26 -5.01 105.19 104.23 2ot9 n GLY 157 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2ot9 n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ot9 s THR 158 N -3.02 5.19 -0.24 2.61 2.01 -0.36 -4.67 115.64 117.16 2ot9 s THR 158 Ca 0.00 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 2ot9 s THR 158 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2ot9 s THR 158 CO 0.00 0.54 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 2ot9 s VAL 159 N -0.71 5.01 -0.26 3.82 1.01 -0.73 -1.33 120.40 127.21 2ot9 s VAL 159 Ca 0.21 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2ot9 s VAL 159 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2ot9 s VAL 159 CO 0.10 0.34 0.00 -0.36 0.00 0.00 0.00 175.10 175.18 2ot9 s PHE 160 N 1.25 3.09 -0.22 5.22 0.08 -1.26 0.72 117.98 126.85 2ot9 s PHE 160 Ca 0.06 -1.22 -0.06 0.00 0.12 0.00 0.00 56.93 55.83 2ot9 s PHE 160 Cb -0.14 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2ot9 s PHE 160 CO 0.05 -0.64 0.03 0.08 -0.10 0.00 0.00 175.22 174.65 2ot9 s VAL 161 N 1.42 4.16 -0.25 -0.44 1.01 0.01 -4.21 120.40 122.09 2ot9 s VAL 161 Ca 0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2ot9 s VAL 161 Cb -0.17 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ot9 s VAL 161 CO -0.01 0.39 0.13 -0.89 0.00 0.00 0.00 175.10 174.72 2ot9 s THR 162 N 1.24 4.93 0.00 3.92 2.01 0.15 0.02 115.64 127.91 2ot9 s THR 162 Ca 0.04 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2ot9 s THR 162 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2ot9 s THR 162 CO 0.02 0.32 0.00 -0.90 -0.69 0.00 0.00 174.62 173.37 2ot9 n ASP 163 N 4.69 1.48 0.12 3.53 5.68 -0.10 -1.31 116.55 130.64 2ot9 n ASP 163 Ca -0.15 -0.10 0.10 0.00 -0.50 0.00 0.00 54.79 54.14 2ot9 n ASP 163 Cb 0.52 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.98 2ot9 n ASP 163 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2ot9 n ASP 164 N -0.16 0.53 -0.43 -1.12 5.75 -1.26 -2.45 116.55 117.41 2ot9 n ASP 164 Ca 0.00 0.68 0.05 0.00 -0.01 0.00 0.00 54.79 55.51 2ot9 n ASP 164 Cb 0.00 -0.77 0.05 0.00 -1.03 0.00 0.00 41.12 39.37 2ot9 n ASP 164 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ot9 n ARG 165 N -2.13 0.69 0.00 0.11 1.74 -1.26 -5.10 116.66 110.71 2ot9 n ARG 165 Ca 0.01 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 2ot9 n ARG 165 Cb 0.13 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2ot9 n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ot9 n GLY 166 N 0.56 0.72 3.62 -0.13 0.00 -1.03 -5.04 105.19 103.90 2ot9 n GLY 166 Ca 0.06 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 2ot9 n GLY 166 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ot9 s GLN 167 N -1.05 4.00 -0.10 1.61 0.74 -1.26 -0.92 119.66 122.68 2ot9 s GLN 167 Ca 0.00 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.14 2ot9 s GLN 167 Cb 0.00 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 2ot9 s GLN 167 CO 0.00 -0.03 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.49 2ot9 s HIS 168 N 1.32 2.61 -0.28 1.67 3.76 0.10 -4.94 115.29 119.52 2ot9 s HIS 168 Ca 0.07 -0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 53.92 2ot9 s HIS 168 Cb -0.14 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2ot9 s HIS 168 CO 0.07 -0.33 0.49 -2.00 -0.85 0.00 0.00 174.74 172.12 2ot9 s GLU 169 N 0.25 3.96 -0.39 1.40 2.12 -1.26 -0.81 118.70 123.96 2ot9 s GLU 169 Ca -0.14 0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2ot9 s GLU 169 Cb -0.17 -3.69 0.04 0.00 0.26 0.00 0.00 34.13 30.57 2ot9 s GLU 169 CO 0.07 -0.41 0.22 0.08 -0.54 0.00 0.00 175.26 174.68 2ot9 s VAL 170 N 2.30 4.49 -0.39 3.70 1.01 0.22 -4.94 120.40 126.79 2ot9 s VAL 170 Ca 0.20 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2ot9 s VAL 170 Cb -0.16 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2ot9 s VAL 170 CO 0.10 -0.30 0.21 -1.58 0.00 0.00 0.00 175.10 173.53 2ot9 s GLN 171 N 1.52 2.70 0.25 2.72 2.00 -1.26 -1.77 119.66 125.82 2ot9 s GLN 171 Ca 0.02 -1.26 -0.30 0.00 -2.00 0.00 0.00 55.36 51.82 2ot9 s GLN 171 Cb -0.20 -3.71 -0.09 0.00 0.80 0.00 0.00 33.01 29.80 2ot9 s GLN 171 CO 0.06 -0.81 1.01 -0.51 -0.50 0.00 0.00 175.29 174.54 2ot9 s LEU 172 N 1.48 4.60 -0.35 3.68 1.43 -1.26 -4.52 118.68 123.74 2ot9 s LEU 172 Ca 0.02 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 2ot9 s LEU 172 Cb -0.21 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 2ot9 s LEU 172 CO 0.04 0.02 0.40 -1.58 0.23 0.00 0.00 176.35 175.46 2ot9 s GLN 173 N -1.25 3.55 -0.20 1.70 0.74 -0.54 -4.90 119.66 118.76 2ot9 s GLN 173 Ca 0.43 -0.38 -0.29 0.00 0.05 0.00 0.00 55.36 55.17 2ot9 s GLN 173 Cb -0.28 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 30.02 2ot9 s GLN 173 CO 0.36 -0.56 1.07 -1.58 -0.55 0.00 0.00 175.29 174.02 2ot9 s TRP 174 N 2.10 3.29 -0.13 1.67 0.52 -1.26 -0.18 118.94 124.95 2ot9 s TRP 174 Ca 0.13 1.41 -0.07 0.00 0.02 0.00 0.00 56.10 57.60 2ot9 s TRP 174 Cb -0.16 -3.30 -0.25 0.00 -1.15 0.00 0.00 33.47 28.61 2ot9 s TRP 174 CO 0.12 -0.64 0.33 1.28 0.02 0.00 0.00 176.95 178.06 2ot9 n LEU 175 N 6.15 2.62 -3.71 2.99 4.32 0.93 -4.98 117.00 125.32 2ot9 n LEU 175 Ca 0.12 0.20 -0.14 0.00 -0.02 0.00 0.00 56.01 56.17 2ot9 n LEU 175 Cb 0.46 -1.11 -0.08 0.00 -1.62 0.00 0.00 43.42 41.07 2ot9 n LEU 175 CO 0.53 0.83 0.12 0.28 -1.22 0.00 0.00 177.39 177.93 2ot9 s THR 176 N -2.55 0.04 0.00 -5.08 -1.32 -1.01 -4.98 115.64 100.74 2ot9 s THR 176 Ca -0.23 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2ot9 s THR 176 Cb 0.07 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2ot9 s THR 176 CO 0.75 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2ot9 n GLY 177 N 1.41 0.34 3.82 6.08 0.00 -1.26 -0.87 105.19 114.71 2ot9 n GLY 177 Ca -0.20 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 2ot9 n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ot9 s GLU 178 N 0.00 1.59 0.32 1.61 -1.05 -1.26 -4.87 118.70 115.05 2ot9 s GLU 178 Ca 0.00 -0.91 0.02 0.00 -0.15 0.00 0.00 54.97 53.93 2ot9 s GLU 178 Cb 0.00 0.52 0.55 0.00 -0.44 0.00 0.00 34.13 34.76 2ot9 s GLU 178 CO 0.00 -0.73 1.91 -0.09 0.95 0.00 0.00 175.26 177.30 2ot9 h ARG 179 N 2.00 0.75 0.00 -4.83 2.43 -1.99 -3.46 114.38 109.27 2ot9 h ARG 179 Ca -0.23 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2ot9 h ARG 179 Cb 1.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2ot9 h ARG 179 CO 0.26 0.62 0.00 0.41 -1.51 0.00 0.00 179.97 179.75