#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k17 n LYS 8 N 0.00 0.35 -4.62 1.20 5.02 -1.14 -4.86 118.16 114.10 3k17 n LYS 8 Ca 0.00 -0.35 -0.30 0.00 -2.02 0.00 0.00 58.31 55.64 3k17 n LYS 8 Cb 0.00 0.25 -0.17 0.00 -0.02 0.00 0.00 35.03 35.09 3k17 n LYS 8 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3k17 s LEU 9 N 0.00 1.89 -0.12 -0.35 2.96 0.25 -3.99 118.68 119.32 3k17 s LEU 9 Ca 0.03 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3k17 s LEU 9 Cb 0.00 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 3k17 s LEU 9 CO 0.02 0.05 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.35 3k17 s GLN 10 N 0.84 3.23 -0.17 1.98 0.74 0.20 0.40 119.66 126.88 3k17 s GLN 10 Ca -0.09 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.57 3k17 s GLN 10 Cb -0.15 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.47 3k17 s GLN 10 CO -0.00 0.17 -0.19 0.08 -0.55 0.00 0.00 175.29 174.80 3k17 s VAL 11 N 0.42 1.98 -0.25 1.34 1.01 0.18 -0.12 120.40 124.96 3k17 s VAL 11 Ca -0.13 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 3k17 s VAL 11 Cb -0.17 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3k17 s VAL 11 CO 0.06 0.53 0.00 -0.54 0.00 0.00 0.00 175.10 175.15 3k17 s LYS 12 N 1.31 3.26 -0.22 2.72 1.02 0.91 -0.74 119.74 127.99 3k17 s LYS 12 Ca 0.05 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3k17 s LYS 12 Cb -0.13 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3k17 s LYS 12 CO -0.12 -0.29 -0.01 0.42 -0.92 0.00 0.00 175.35 174.42 3k17 s ILE 13 N 1.48 3.69 0.45 2.17 -1.09 -0.08 -1.84 121.20 125.99 3k17 s ILE 13 Ca 0.04 -0.39 -0.23 0.00 -2.23 0.00 0.00 60.65 57.84 3k17 s ILE 13 Cb -0.16 -2.69 -0.08 0.00 -1.58 0.00 0.00 42.46 37.96 3k17 s ILE 13 CO -0.01 0.41 1.14 -2.16 -1.23 0.00 0.00 174.94 173.09 3k17 s PRO 14 N 1.38 3.81 1.13 2.79 0.04 -1.26 -0.98 135.00 141.91 3k17 s PRO 14 Ca 0.05 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 3k17 s PRO 14 Cb -0.15 -2.40 0.26 0.00 0.04 0.00 0.00 34.50 32.25 3k17 s PRO 14 CO -0.00 -0.49 1.16 0.20 0.04 0.00 0.00 177.00 177.91 3k17 s GLY 15 N -1.44 1.63 0.11 0.56 0.00 0.08 -4.46 107.32 103.80 3k17 s GLY 15 Ca 0.63 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3k17 s GLY 15 CO 0.33 -0.15 -0.07 -1.59 0.00 0.00 0.00 173.10 171.62 3k17 s LYS 16 N -5.52 0.87 -0.06 2.90 0.00 0.72 -0.92 119.74 117.73 3k17 s LYS 16 Ca 0.71 -1.35 -0.03 0.00 0.00 0.00 0.00 55.97 55.31 3k17 s LYS 16 Cb -0.09 -0.27 0.04 0.00 0.00 0.00 0.00 37.83 37.51 3k17 s LYS 16 CO 0.55 -0.00 0.13 -0.51 0.00 0.00 0.00 175.35 175.52 3k17 s LEU 17 N -3.04 0.64 0.03 2.77 1.43 -0.63 -4.23 118.68 115.65 3k17 s LEU 17 Ca 0.12 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 3k17 s LEU 17 Cb 0.05 0.29 -0.05 0.00 0.03 0.00 0.00 46.19 46.50 3k17 s LEU 17 CO -0.04 -0.16 1.21 -0.31 0.23 0.00 0.00 176.35 177.28 3k17 s TYR 18 N 1.34 3.36 -0.21 0.29 2.02 -1.26 -2.01 117.35 120.87 3k17 s TYR 18 Ca -0.07 1.26 0.07 0.00 -0.37 0.00 0.00 57.07 57.95 3k17 s TYR 18 Cb -0.12 -3.43 -0.21 0.00 -0.40 0.00 0.00 41.96 37.80 3k17 s TYR 18 CO -0.06 -1.34 -0.02 0.28 -1.57 0.00 0.00 175.55 172.84 3k17 n VAL 19 N 4.11 1.50 -3.49 0.71 0.31 0.11 -4.34 118.33 117.24 3k17 n VAL 19 Ca 0.10 -0.68 -0.15 0.00 -0.01 0.00 0.00 64.34 63.60 3k17 n VAL 19 Cb 0.46 -1.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.21 3k17 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k17 s ALA 20 N -2.52 -1.74 0.00 3.52 0.00 -1.00 -4.96 121.76 115.06 3k17 s ALA 20 Ca -0.24 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3k17 s ALA 20 Cb 0.08 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3k17 s ALA 20 CO 0.70 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3k17 n GLY 21 N 0.41 0.75 3.54 0.00 0.00 -1.26 -0.43 105.19 108.19 3k17 n GLY 21 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3k17 n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k17 n GLU 22 N -2.15 0.64 0.00 1.61 4.71 -1.26 -2.11 120.64 122.07 3k17 n GLU 22 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 3k17 n GLU 22 Cb 0.00 -1.93 0.00 0.00 -1.01 0.00 0.00 31.44 28.50 3k17 n GLU 22 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3k17 n TYR 23 N -1.83 0.00 -0.06 -0.32 4.01 -1.26 -4.39 117.16 113.31 3k17 n TYR 23 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.93 3k17 n TYR 23 Cb 0.48 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 39.94 3k17 n TYR 23 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k17 h ALA 24 N 0.00 1.80 0.00 -0.72 0.00 -1.95 -1.44 119.26 116.95 3k17 h ALA 24 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k17 h ALA 24 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3k17 h ALA 24 CO 0.00 0.13 0.00 -0.24 0.00 0.00 0.00 179.25 179.14 3k17 h VAL 25 N 0.55 0.00 0.00 0.00 3.04 -1.63 -1.28 116.25 116.94 3k17 h VAL 25 Ca 0.22 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.81 3k17 h VAL 25 Cb 0.19 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3k17 h VAL 25 CO -0.06 0.00 -0.11 -0.37 -1.01 0.00 0.00 177.57 176.02 3k17 h VAL 26 N 0.00 0.39 -3.62 1.51 -1.51 -1.57 -3.43 116.25 108.02 3k17 h VAL 26 Ca 0.00 -0.65 -0.51 0.00 -1.23 0.00 0.00 66.70 64.31 3k17 h VAL 26 Cb 0.10 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 3k17 h VAL 26 CO 0.00 0.11 0.37 -1.61 -1.23 0.00 0.00 177.57 175.21 3k17 s GLU 27 N -3.92 4.74 0.41 5.19 0.41 -0.48 -4.77 118.70 120.27 3k17 s GLU 27 Ca -0.01 1.48 -0.25 0.00 -0.41 0.00 0.00 54.97 55.78 3k17 s GLU 27 Cb 0.11 -3.34 -0.11 0.00 -1.78 0.00 0.00 34.13 29.02 3k17 s GLU 27 CO 0.57 0.29 1.08 0.43 -0.49 0.00 0.00 175.26 177.15 3k17 n SER 28 N 2.39 1.63 -0.03 -0.19 7.64 -1.26 -2.12 113.62 121.67 3k17 n SER 28 Ca 0.01 1.07 -0.00 0.00 1.01 0.00 0.00 58.87 60.95 3k17 n SER 28 Cb 0.48 -1.39 -0.00 0.00 -1.01 0.00 0.00 64.21 62.29 3k17 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k17 n GLY 29 N 1.08 0.29 3.86 0.23 0.00 0.55 -4.96 105.19 106.24 3k17 n GLY 29 Ca 0.09 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3k17 n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k17 s HIS 30 N -1.54 3.51 -0.05 1.61 4.02 -0.90 -4.82 115.29 117.12 3k17 s HIS 30 Ca 0.00 0.41 -0.04 0.00 1.02 0.00 0.00 55.06 56.44 3k17 s HIS 30 Cb 0.00 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.58 29.65 3k17 s HIS 30 CO 0.00 0.66 0.16 0.99 1.02 0.00 0.00 174.74 177.57 3k17 s THR 31 N -1.14 5.39 0.10 1.30 2.01 -1.26 -2.06 115.64 119.99 3k17 s THR 31 Ca 0.20 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3k17 s THR 31 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3k17 s THR 31 CO 0.10 0.45 -0.05 0.00 -0.69 0.00 0.00 174.62 174.42 3k17 s ALA 32 N -1.19 0.98 -0.12 7.40 0.00 0.67 -4.68 121.76 124.82 3k17 s ALA 32 Ca 0.22 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3k17 s ALA 32 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3k17 s ALA 32 CO 0.12 -0.26 -0.13 0.42 0.00 0.00 0.00 175.76 175.92 3k17 s ILE 33 N -3.66 3.11 0.07 0.00 -1.09 0.43 0.28 121.20 120.34 3k17 s ILE 33 Ca 0.13 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3k17 s ILE 33 Cb 0.06 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3k17 s ILE 33 CO -0.04 0.54 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.39 3k17 s LEU 34 N 0.15 2.43 0.00 2.97 1.02 -0.16 0.05 118.68 125.14 3k17 s LEU 34 Ca -0.07 -0.86 0.03 0.00 0.02 0.00 0.00 54.13 53.25 3k17 s LEU 34 Cb -0.15 -0.02 -0.01 0.00 0.02 0.00 0.00 46.19 46.03 3k17 s LEU 34 CO 0.05 -0.42 -0.09 0.28 0.02 0.00 0.00 176.35 176.19 3k17 s THR 35 N -3.02 0.67 0.49 5.49 -1.32 -0.85 -0.67 115.64 116.42 3k17 s THR 35 Ca 0.04 -0.49 -0.10 0.00 -1.21 0.00 0.00 61.69 59.93 3k17 s THR 35 Cb 0.01 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.36 3k17 s THR 35 CO -0.04 0.10 0.86 0.00 -2.21 0.00 0.00 174.62 173.33 3k17 s ALA 36 N -0.39 3.27 0.29 11.08 0.00 0.26 -1.60 121.76 134.67 3k17 s ALA 36 Ca 0.02 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.88 3k17 s ALA 36 Cb -0.04 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 3k17 s ALA 36 CO -0.00 -0.28 -0.12 0.14 0.00 0.00 0.00 175.76 175.50 3k17 s VAL 37 N -2.68 2.71 -0.15 0.00 -7.23 -0.09 -1.26 120.40 111.69 3k17 s VAL 37 Ca 0.52 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3k17 s VAL 37 Cb -0.10 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3k17 s VAL 37 CO 0.40 -0.35 0.66 -0.46 -0.31 0.00 0.00 175.10 175.03 3k17 n ASN 38 N -0.74 1.92 -4.17 4.85 6.94 -0.34 -3.77 115.26 119.96 3k17 n ASN 38 Ca -0.05 -1.42 -0.31 0.00 -0.02 0.00 0.00 54.58 52.78 3k17 n ASN 38 Cb 0.60 -0.36 -0.17 0.00 -2.36 0.00 0.00 39.78 37.50 3k17 n ASN 38 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3k17 s ARG 39 N 0.09 2.75 0.32 -3.83 0.52 -1.26 -4.98 118.95 112.56 3k17 s ARG 39 Ca 0.00 -0.77 0.09 0.00 -0.52 0.00 0.00 55.73 54.53 3k17 s ARG 39 Cb 0.00 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.27 3k17 s ARG 39 CO 0.00 0.10 -0.10 0.71 0.02 0.00 0.00 175.30 176.03 3k17 s TYR 40 N 0.52 2.30 -0.23 -0.53 2.02 -1.26 -0.74 117.35 119.43 3k17 s TYR 40 Ca -0.15 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3k17 s TYR 40 Cb -0.17 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3k17 s TYR 40 CO 0.05 0.54 0.01 0.42 -1.57 0.00 0.00 175.55 175.01 3k17 s ILE 41 N -2.67 3.82 -0.22 2.71 -1.09 -0.15 -1.34 121.20 122.25 3k17 s ILE 41 Ca 0.31 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 3k17 s ILE 41 Cb 0.02 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 3k17 s ILE 41 CO 0.15 0.38 0.02 -0.89 -1.23 0.00 0.00 174.94 173.37 3k17 s THR 42 N 1.54 4.06 -0.18 2.92 2.01 0.65 -0.90 115.64 125.74 3k17 s THR 42 Ca 0.06 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3k17 s THR 42 Cb -0.15 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3k17 s THR 42 CO 0.00 0.40 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.93 3k17 s LEU 43 N 1.22 2.26 -0.20 4.42 0.20 0.08 0.03 118.68 126.69 3k17 s LEU 43 Ca 0.04 -0.59 -0.06 0.00 0.69 0.00 0.00 54.13 54.20 3k17 s LEU 43 Cb -0.15 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 3k17 s LEU 43 CO 0.02 0.01 0.04 -0.89 -0.29 0.00 0.00 176.35 175.24 3k17 s THR 44 N 1.22 4.42 -0.04 3.68 2.01 -0.14 -0.65 115.64 126.14 3k17 s THR 44 Ca 0.03 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 61.93 3k17 s THR 44 Cb -0.14 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 3k17 s THR 44 CO -0.09 0.43 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.83 3k17 s LEU 45 N 0.76 2.29 0.04 4.42 0.20 0.16 -1.63 118.68 124.94 3k17 s LEU 45 Ca 0.02 -0.39 -0.14 0.00 0.69 0.00 0.00 54.13 54.31 3k17 s LEU 45 Cb -0.14 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 3k17 s LEU 45 CO 0.02 0.30 0.31 -1.83 -0.29 0.00 0.00 176.35 174.86 3k17 s GLU 46 N -0.48 0.81 0.53 1.98 -1.05 -0.84 -0.58 118.70 119.07 3k17 s GLU 46 Ca 0.06 -0.50 -0.21 0.00 -0.15 0.00 0.00 54.97 54.17 3k17 s GLU 46 Cb -0.11 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 3k17 s GLU 46 CO 0.01 -0.26 1.22 -0.51 0.95 0.00 0.00 175.26 176.67 3k17 s ASP 47 N -2.06 5.57 0.29 0.83 1.01 -1.26 -0.29 116.67 120.76 3k17 s ASP 47 Ca -0.05 2.43 -0.10 0.00 0.71 0.00 0.00 52.55 55.54 3k17 s ASP 47 Cb -0.01 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3k17 s ASP 47 CO -0.03 -1.34 0.50 -0.94 0.21 0.00 0.00 175.17 173.57 3k17 s SER 48 N -1.39 0.23 0.26 0.27 1.04 -0.97 -4.68 113.70 108.44 3k17 s SER 48 Ca 0.71 -1.13 0.10 0.00 0.48 0.00 0.00 55.95 56.11 3k17 s SER 48 Cb -0.31 0.63 0.29 0.00 0.10 0.00 0.00 66.02 66.73 3k17 s SER 48 CO 0.36 -1.24 1.57 -0.33 0.98 0.00 0.00 173.24 174.59 3k17 h GLU 49 N 2.19 0.01 -3.89 4.02 4.39 -1.95 -3.42 114.58 115.93 3k17 h GLU 49 Ca -0.28 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 3k17 h GLU 49 Cb 1.25 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.76 3k17 h GLU 49 CO 0.37 0.66 -0.38 -0.98 -1.16 0.00 0.00 179.01 177.52 3k17 s ARG 50 N -3.52 0.95 0.57 2.33 1.70 -1.26 -4.89 118.95 114.84 3k17 s ARG 50 Ca -0.01 -1.08 -0.19 0.00 -0.47 0.00 0.00 55.73 53.98 3k17 s ARG 50 Cb 0.12 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3k17 s ARG 50 CO 0.77 -0.31 1.20 -0.80 -1.08 0.00 0.00 175.30 175.07 3k17 s ASN 51 N -2.91 5.34 -0.28 -2.89 0.01 -1.26 -4.14 114.94 108.81 3k17 s ASN 51 Ca 0.10 2.37 -0.18 0.00 -0.71 0.00 0.00 52.86 54.44 3k17 s ASN 51 Cb 0.05 -2.60 0.10 0.00 0.41 0.00 0.00 41.25 39.20 3k17 s ASN 51 CO -0.06 -1.49 0.78 -0.70 -1.51 0.00 0.00 177.10 174.12 3k17 s GLU 52 N -3.26 0.64 -0.08 -0.60 2.12 -0.59 -4.26 118.70 112.67 3k17 s GLU 52 Ca 0.76 1.02 0.02 0.00 0.36 0.00 0.00 54.97 57.13 3k17 s GLU 52 Cb -0.30 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.28 3k17 s GLU 52 CO 0.33 -0.12 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.61 3k17 s LEU 53 N 1.25 1.71 -0.12 2.70 2.96 -0.46 -4.28 118.68 122.45 3k17 s LEU 53 Ca -0.07 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3k17 s LEU 53 Cb -0.05 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.70 3k17 s LEU 53 CO -0.14 0.05 -0.22 0.26 -1.32 0.00 0.00 176.35 174.97 3k17 s TRP 54 N 0.67 2.56 0.08 5.38 0.52 -1.26 -2.26 118.94 124.62 3k17 s TRP 54 Ca -0.14 -1.19 0.07 0.00 0.02 0.00 0.00 56.10 54.86 3k17 s TRP 54 Cb -0.16 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 3k17 s TRP 54 CO 0.04 -0.52 -0.18 0.96 0.02 0.00 0.00 176.95 177.27 3k17 s ILE 55 N 0.63 1.45 -0.89 2.03 -4.36 -1.26 -0.53 121.20 118.27 3k17 s ILE 55 Ca -0.12 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 3k17 s ILE 55 Cb -0.16 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.22 3k17 s ILE 55 CO 0.03 -0.08 0.56 -2.65 0.24 0.00 0.00 174.94 173.04 3k17 n PRO 56 N 1.33 0.00 0.00 0.37 -0.02 -1.23 -1.91 135.00 133.54 3k17 n PRO 56 Ca -0.20 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.51 3k17 n PRO 56 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3k17 n PRO 56 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3k17 n HIS 57 N -1.06 0.00 -4.19 6.00 -0.00 -1.26 -4.95 115.22 109.76 3k17 n HIS 57 Ca 0.00 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.97 3k17 n HIS 57 Cb 0.10 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.81 3k17 n HIS 57 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3k17 s TYR 58 N -1.73 0.83 0.30 1.57 2.02 -0.80 -5.02 117.35 114.51 3k17 s TYR 58 Ca 0.12 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3k17 s TYR 58 Cb 0.12 -0.71 0.48 0.00 -0.40 0.00 0.00 41.96 41.44 3k17 s TYR 58 CO 0.36 -0.21 1.87 0.93 -1.57 0.00 0.00 175.55 176.93 3k17 h GLU 59 N 7.20 0.78 -6.23 -0.62 5.08 -1.92 -3.41 114.58 115.45 3k17 h GLU 59 Ca -0.37 -0.14 -0.59 0.00 -1.00 0.00 0.00 59.36 57.27 3k17 h GLU 59 Cb 1.16 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 3k17 h GLU 59 CO 0.46 0.68 -0.60 -0.80 -1.00 0.00 0.00 179.01 177.76 3k17 s ASN 60 N -6.58 5.34 0.77 1.42 -0.87 -1.26 -5.06 114.94 108.69 3k17 s ASN 60 Ca -0.09 -0.17 -0.04 0.00 -1.57 0.00 0.00 52.86 50.99 3k17 s ASN 60 Cb 0.16 -1.35 0.14 0.00 -0.02 0.00 0.00 41.25 40.18 3k17 s ASN 60 CO 0.79 0.09 1.06 -2.16 -2.57 0.00 0.00 177.10 174.31 3k17 s PRO 61 N -2.91 1.52 0.08 -0.60 0.04 -1.26 -4.84 135.00 127.02 3k17 s PRO 61 Ca 0.30 -0.90 0.07 0.00 0.04 0.00 0.00 61.00 60.51 3k17 s PRO 61 Cb -0.10 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3k17 s PRO 61 CO 0.22 -1.62 -0.18 0.14 0.04 0.00 0.00 177.00 175.60 3k17 s VAL 62 N -3.30 1.45 0.36 -0.36 -7.23 -0.96 -4.94 120.40 105.42 3k17 s VAL 62 Ca 0.67 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.55 3k17 s VAL 62 Cb -0.05 -1.32 -0.07 0.00 0.56 0.00 0.00 36.38 35.49 3k17 s VAL 62 CO 0.46 -0.07 0.01 -0.55 -0.31 0.00 0.00 175.10 174.65 3k17 s SER 63 N -1.66 3.14 -0.02 4.85 0.15 -1.26 -1.35 113.70 117.55 3k17 s SER 63 Ca 0.03 -1.34 -0.28 0.00 0.70 0.00 0.00 55.95 55.06 3k17 s SER 63 Cb -0.10 -0.24 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 3k17 s SER 63 CO 0.03 -0.48 0.80 -1.66 1.20 0.00 0.00 173.24 173.13 3k17 s TRP 64 N -2.97 -0.47 0.52 3.44 -2.14 -1.26 -4.93 118.94 111.13 3k17 s TRP 64 Ca 0.35 0.57 -0.21 0.00 2.66 0.00 0.00 56.10 59.47 3k17 s TRP 64 Cb 0.08 0.49 -0.08 0.00 -3.10 0.00 0.00 33.47 30.86 3k17 s TRP 64 CO 0.16 -0.58 0.89 -0.35 -2.66 0.00 0.00 176.95 174.41 3k17 n PRO 65 N 0.25 1.00 -2.05 3.25 -0.04 -1.26 -4.31 135.00 131.84 3k17 n PRO 65 Ca -0.13 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.28 3k17 n PRO 65 Cb 0.60 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 3k17 n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k17 s ILE 66 N -1.46 3.36 0.00 0.52 1.01 -1.26 -0.88 121.20 122.49 3k17 s ILE 66 Ca 0.69 0.74 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3k17 s ILE 66 Cb -0.48 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3k17 s ILE 66 CO 0.52 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3k17 n GLY 67 N 3.88 0.37 1.33 6.18 0.00 -1.26 -4.98 105.19 110.71 3k17 n GLY 67 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3k17 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 68 N -1.61 2.53 3.81 -0.02 0.00 -0.06 -5.02 105.19 104.82 3k17 n GLY 68 Ca 0.00 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 3k17 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k17 s GLU 69 N -2.83 4.28 -0.34 1.61 2.12 -1.26 -4.82 118.70 117.46 3k17 s GLU 69 Ca 0.15 0.84 -0.09 0.00 0.36 0.00 0.00 54.97 56.24 3k17 s GLU 69 Cb -0.01 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.25 3k17 s GLU 69 CO 0.10 0.57 0.14 -1.17 -0.54 0.00 0.00 175.26 174.35 3k17 s LEU 70 N -1.35 4.33 -0.40 2.70 2.96 -1.26 -4.52 118.68 121.14 3k17 s LEU 70 Ca 0.34 -0.91 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 3k17 s LEU 70 Cb -0.19 -1.94 0.23 0.00 0.50 0.00 0.00 46.19 44.78 3k17 s LEU 70 CO 0.21 -0.30 0.49 2.29 -1.32 0.00 0.00 176.35 177.72 3k17 n LYS 71 N 4.91 0.57 -1.41 1.98 2.85 -1.26 -4.84 118.16 120.97 3k17 n LYS 71 Ca -0.13 -3.16 -0.30 0.00 -1.05 0.00 0.00 58.31 53.67 3k17 n LYS 71 Cb 0.46 -1.34 0.09 0.00 -0.65 0.00 0.00 35.03 33.60 3k17 n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3k17 s PRO 72 N -0.80 2.13 0.08 -1.58 0.04 -1.26 -4.97 135.00 128.65 3k17 s PRO 72 Ca 0.34 0.88 0.27 0.00 0.04 0.00 0.00 61.00 62.54 3k17 s PRO 72 Cb 0.14 -1.90 0.98 0.00 0.04 0.00 0.00 34.50 33.75 3k17 s PRO 72 CO -0.14 -1.65 1.80 -0.25 0.04 0.00 0.00 177.00 176.80 3k17 n ASP 73 N -3.49 0.37 -3.36 6.66 8.00 -1.26 -4.89 116.55 118.58 3k17 n ASP 73 Ca 0.08 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.02 3k17 n ASP 73 Cb 0.55 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3k17 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k17 n GLY 74 N 1.42 -2.82 0.00 0.44 0.00 -1.26 -5.00 105.19 97.97 3k17 n GLY 74 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3k17 n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k17 n GLU 75 N -0.60 2.51 -0.27 1.61 2.13 -1.26 -4.74 120.64 120.01 3k17 n GLU 75 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 3k17 n GLU 75 Cb 0.00 -0.63 0.24 0.00 0.27 0.00 0.00 31.44 31.32 3k17 n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3k17 n HIS 76 N -0.67 0.72 0.36 4.31 8.25 -1.26 -3.78 115.22 123.15 3k17 n HIS 76 Ca 0.00 -0.36 0.11 0.00 -0.26 0.00 0.00 57.72 57.21 3k17 n HIS 76 Cb 0.07 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 3k17 n HIS 76 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3k17 n TRP 77 N 1.10 0.22 -0.06 4.41 7.02 -1.26 -4.65 117.44 124.22 3k17 n TRP 77 Ca 0.18 0.06 -0.11 0.00 -1.02 0.00 0.00 57.50 56.62 3k17 n TRP 77 Cb 0.46 -0.46 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 3k17 n TRP 77 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3k17 h THR 78 N 0.00 0.00 -0.41 -0.99 2.02 -1.90 0.40 112.91 112.03 3k17 h THR 78 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3k17 h THR 78 Cb 0.83 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 3k17 h THR 78 CO 0.00 0.00 0.08 -0.26 0.37 0.00 0.00 175.52 175.71 3k17 h PHE 79 N -0.36 0.14 -0.07 3.16 0.04 -1.87 -0.40 116.94 117.57 3k17 h PHE 79 Ca 0.04 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.66 3k17 h PHE 79 Cb 0.47 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3k17 h PHE 79 CO -0.63 0.01 -0.70 1.79 -0.60 0.00 0.00 178.31 178.19 3k17 h THR 80 N 0.22 1.39 -0.45 -1.55 1.35 -1.80 -2.87 112.91 109.19 3k17 h THR 80 Ca 0.20 -2.12 -0.14 0.00 -0.55 0.00 0.00 66.41 63.79 3k17 h THR 80 Cb 0.24 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3k17 h THR 80 CO -0.26 0.63 -0.29 0.00 -0.25 0.00 0.00 175.52 175.36 3k17 h ALA 81 N 1.01 0.64 -0.53 6.62 0.00 0.09 -1.96 119.26 125.13 3k17 h ALA 81 Ca -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3k17 h ALA 81 Cb 1.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3k17 h ALA 81 CO 0.12 0.68 0.30 1.49 0.00 0.00 0.00 179.25 181.84 3k17 h GLU 82 N 0.83 0.73 -0.83 0.00 4.57 -1.09 0.18 114.58 118.97 3k17 h GLU 82 Ca 0.09 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3k17 h GLU 82 Cb 0.88 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 3k17 h GLU 82 CO 0.08 0.55 0.54 0.00 -1.18 0.00 0.00 179.01 179.00 3k17 h ALA 83 N 1.14 1.06 -0.32 2.92 0.00 -1.39 0.12 119.26 122.79 3k17 h ALA 83 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 83 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3k17 h ALA 83 CO -0.03 0.44 0.03 0.82 0.00 0.00 0.00 179.25 180.50 3k17 h ILE 84 N 1.10 1.24 -0.54 0.00 2.04 -0.78 -1.02 117.51 119.56 3k17 h ILE 84 Ca 0.31 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3k17 h ILE 84 Cb -0.10 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3k17 h ILE 84 CO -0.08 0.29 0.25 0.78 0.00 0.00 0.00 178.15 179.39 3k17 h ASN 85 N 0.36 0.71 -0.36 1.72 -0.26 -0.12 0.40 115.58 118.02 3k17 h ASN 85 Ca 0.09 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 3k17 h ASN 85 Cb 0.39 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3k17 h ASN 85 CO 0.01 0.65 -0.08 0.40 -1.06 0.00 0.00 177.43 177.35 3k17 h ILE 86 N 0.73 1.28 -0.92 2.81 2.04 -0.74 -1.71 117.51 120.99 3k17 h ILE 86 Ca 0.18 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3k17 h ILE 86 Cb 0.13 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3k17 h ILE 86 CO -0.02 0.37 0.53 0.00 0.00 0.00 0.00 178.15 179.04 3k17 h ALA 87 N 0.82 1.18 0.11 1.87 0.00 -0.97 -1.21 119.26 121.07 3k17 h ALA 87 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k17 h ALA 87 Cb 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k17 h ALA 87 CO 0.03 0.66 -0.05 1.15 0.00 0.00 0.00 179.25 181.04 3k17 h THR 88 N 1.28 0.97 -0.90 0.00 2.02 -0.76 -0.65 112.91 114.88 3k17 h THR 88 Ca 0.33 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.24 3k17 h THR 88 Cb -0.02 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3k17 h THR 88 CO -0.06 0.08 0.59 0.74 0.37 0.00 0.00 175.52 177.24 3k17 h THR 89 N -0.29 1.11 0.07 3.16 2.02 -1.11 -1.40 112.91 116.47 3k17 h THR 89 Ca -0.02 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3k17 h THR 89 Cb 0.24 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3k17 h THR 89 CO 0.03 0.20 -0.04 0.15 0.37 0.00 0.00 175.52 176.23 3k17 h PHE 90 N 1.08 -0.09 -0.44 3.16 3.57 -1.01 -2.18 116.94 121.04 3k17 h PHE 90 Ca 0.37 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.93 3k17 h PHE 90 Cb 0.10 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3k17 h PHE 90 CO -0.00 0.26 0.15 -0.07 -2.23 0.00 0.00 178.31 176.42 3k17 h LEU 91 N -0.46 0.14 -0.95 0.59 3.38 -0.86 -1.43 115.31 115.73 3k17 h LEU 91 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k17 h LEU 91 Cb 0.40 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3k17 h LEU 91 CO 0.02 0.11 0.63 0.11 0.09 0.00 0.00 178.44 179.40 3k17 h LYS 92 N 0.31 1.25 0.00 1.13 1.57 -1.28 0.69 116.57 120.23 3k17 h LYS 92 Ca 0.20 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3k17 h LYS 92 Cb 0.21 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3k17 h LYS 92 CO -0.22 0.82 -0.07 0.66 -0.57 0.00 0.00 179.45 180.08 3k17 h SER 93 N 1.28 0.00 -0.25 0.86 4.64 -0.63 0.14 113.55 119.59 3k17 h SER 93 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3k17 h SER 93 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3k17 h SER 93 CO -0.08 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 3k17 n GLU 94 N -4.12 1.81 -1.06 4.77 -0.58 -0.13 -4.90 120.64 116.44 3k17 n GLU 94 Ca -0.03 -1.24 -0.02 0.00 -0.42 0.00 0.00 57.16 55.45 3k17 n GLU 94 Cb 0.15 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 3k17 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k17 n GLY 95 N 1.13 0.55 3.62 0.62 0.00 0.04 -5.00 105.19 106.15 3k17 n GLY 95 Ca 0.15 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3k17 n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k17 s ILE 96 N -1.95 5.09 -0.02 -0.61 1.01 0.05 -4.99 121.20 119.78 3k17 s ILE 96 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 3k17 s ILE 96 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3k17 s ILE 96 CO 0.00 0.11 0.95 -0.70 0.00 0.00 0.00 174.94 175.30 3k17 s GLU 97 N 2.16 4.53 0.25 2.79 2.12 -1.26 -3.65 118.70 125.64 3k17 s GLU 97 Ca 0.21 1.35 -0.17 0.00 0.36 0.00 0.00 54.97 56.72 3k17 s GLU 97 Cb -0.16 -3.47 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 3k17 s GLU 97 CO 0.09 -0.07 0.71 -0.51 -0.54 0.00 0.00 175.26 174.95 3k17 s LEU 98 N 1.10 4.23 0.03 2.70 1.02 -1.26 -5.08 118.68 121.42 3k17 s LEU 98 Ca 0.50 1.32 0.06 0.00 0.02 0.00 0.00 54.13 56.03 3k17 s LEU 98 Cb -0.20 -3.75 -0.02 0.00 0.02 0.00 0.00 46.19 42.24 3k17 s LEU 98 CO 0.26 -0.06 -0.16 0.42 0.02 0.00 0.00 176.35 176.83 3k17 s THR 99 N -1.70 1.30 0.11 5.49 -4.23 -1.26 -4.65 115.64 110.70 3k17 s THR 99 Ca 0.47 -0.98 -0.36 0.00 -1.18 0.00 0.00 61.69 59.64 3k17 s THR 99 Cb -0.14 -1.14 -0.16 0.00 1.34 0.00 0.00 72.50 72.40 3k17 s THR 99 CO 0.19 0.14 1.36 -0.81 -0.54 0.00 0.00 174.62 174.96 3k17 n PRO 100 N 2.06 1.34 -4.12 3.99 -0.04 -1.26 -4.97 135.00 131.99 3k17 n PRO 100 Ca -0.17 0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3k17 n PRO 100 Cb 0.54 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 3k17 n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3k17 s VAL 101 N 0.47 0.39 0.48 0.52 -7.23 -1.26 -2.30 120.40 111.47 3k17 s VAL 101 Ca 0.82 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3k17 s VAL 101 Cb -0.89 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 3k17 s VAL 101 CO 0.46 -0.94 0.03 -0.75 -0.31 0.00 0.00 175.10 173.59 3k17 s LYS 102 N -3.83 2.13 0.00 4.82 2.20 0.60 -1.55 119.74 124.12 3k17 s LYS 102 Ca 0.08 -2.29 0.00 0.00 -0.36 0.00 0.00 55.97 53.41 3k17 s LYS 102 Cb 0.07 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 3k17 s LYS 102 CO -0.08 -0.28 0.00 0.28 -0.36 0.00 0.00 175.35 174.92 3k17 n VAL 104 N -1.20 0.00 -4.56 4.02 0.31 -0.64 -1.99 118.33 114.26 3k17 n VAL 104 Ca -0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.86 3k17 n VAL 104 Cb 0.67 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.47 3k17 n VAL 104 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3k17 s ILE 105 N 0.00 3.55 0.16 2.52 1.01 0.31 -0.97 121.20 127.78 3k17 s ILE 105 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 60.65 60.27 3k17 s ILE 105 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3k17 s ILE 105 CO 0.00 0.51 -0.24 -1.61 0.00 0.00 0.00 174.94 173.60 3k17 s GLU 106 N 0.29 1.42 0.00 2.79 2.02 0.10 -3.56 118.70 121.77 3k17 s GLU 106 Ca -0.06 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.51 3k17 s GLU 106 Cb -0.15 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 3k17 s GLU 106 CO 0.04 0.39 -0.03 -0.08 0.02 0.00 0.00 175.26 175.60 3k17 s THR 107 N -1.50 0.23 -0.17 3.63 -1.32 -1.26 -0.25 115.64 114.99 3k17 s THR 107 Ca 0.17 -0.28 0.16 0.00 -1.21 0.00 0.00 61.69 60.53 3k17 s THR 107 Cb -0.08 -0.23 0.34 0.00 -1.51 0.00 0.00 72.50 71.02 3k17 s THR 107 CO 0.08 -0.04 1.23 -0.62 -2.21 0.00 0.00 174.62 173.06 3k17 n GLU 108 N 2.72 2.01 -0.06 7.08 1.02 -0.45 -4.56 120.64 128.41 3k17 n GLU 108 Ca -0.15 -2.55 0.12 0.00 -0.02 0.00 0.00 57.16 54.56 3k17 n GLU 108 Cb 0.58 -1.56 0.22 0.00 -0.02 0.00 0.00 31.44 30.67 3k17 n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k17 n LEU 109 N -0.98 2.79 -4.64 -4.62 4.77 -1.26 -4.72 117.00 108.34 3k17 n LEU 109 Ca 0.16 -1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 54.76 3k17 n LEU 109 Cb 0.68 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 3k17 n LEU 109 CO 0.06 0.52 -0.34 0.27 -1.33 0.00 0.00 177.39 176.56 3k17 s ILE 110 N -1.83 3.99 0.71 -0.08 -4.36 -1.26 -2.39 121.20 115.98 3k17 s ILE 110 Ca 0.33 -0.44 -0.11 0.00 -0.26 0.00 0.00 60.65 60.17 3k17 s ILE 110 Cb 0.21 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3k17 s ILE 110 CO 0.31 0.55 1.07 -0.62 0.24 0.00 0.00 174.94 176.49 3k17 s ASP 111 N -1.00 5.30 0.59 4.36 2.15 1.00 -4.88 116.67 124.19 3k17 s ASP 111 Ca 0.14 1.42 0.29 0.00 0.43 0.00 0.00 52.55 54.83 3k17 s ASP 111 Cb -0.11 -2.28 1.64 0.00 -0.30 0.00 0.00 42.92 41.87 3k17 s ASP 111 CO 0.04 -1.47 2.06 1.56 -0.17 0.00 0.00 175.17 177.18 3k17 h GLN 112 N -0.74 0.00 0.00 4.34 7.50 -2.00 0.21 115.11 124.43 3k17 h GLN 112 Ca -0.45 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.53 3k17 h GLN 112 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.74 3k17 h GLN 112 CO 0.59 0.00 -0.82 0.66 -1.50 0.00 0.00 178.83 177.76 3k17 h SER 113 N 0.00 0.05 0.00 1.46 4.64 -2.05 -3.47 113.55 114.18 3k17 h SER 113 Ca 0.11 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3k17 h SER 113 Cb 0.62 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k17 h SER 113 CO -0.00 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 3k17 n GLY 114 N 0.82 0.95 3.83 -0.77 0.00 0.75 -5.11 105.19 105.67 3k17 n GLY 114 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3k17 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k17 s ALA 115 N -2.00 3.45 0.00 4.61 0.00 -1.26 -4.72 121.76 121.84 3k17 s ALA 115 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 3k17 s ALA 115 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3k17 s ALA 115 CO 0.00 0.37 0.98 0.15 0.00 0.00 0.00 175.76 177.26 3k17 s LYS 116 N -2.19 4.56 0.61 0.00 1.02 -1.26 -0.00 119.74 122.48 3k17 s LYS 116 Ca 0.44 1.42 0.34 0.00 0.02 0.00 0.00 55.97 58.18 3k17 s LYS 116 Cb -0.15 -3.46 1.98 0.00 -0.52 0.00 0.00 37.83 35.68 3k17 s LYS 116 CO 0.20 -0.05 2.28 1.88 -0.92 0.00 0.00 175.35 178.74 3k17 h TYR 117 N 6.79 0.00 -0.30 3.18 0.05 -1.83 -3.46 116.97 121.40 3k17 h TYR 117 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.37 3k17 h TYR 117 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3k17 h TYR 117 CO 0.68 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.21 3k17 n GLY 118 N -1.20 0.84 1.47 3.88 0.00 -1.26 -3.24 105.19 105.69 3k17 n GLY 118 Ca -0.03 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3k17 n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k17 n LEU 119 N -0.15 4.99 -2.14 0.99 4.77 -1.26 -4.85 117.00 119.35 3k17 n LEU 119 Ca 0.00 -3.06 -0.07 0.00 -0.03 0.00 0.00 56.01 52.85 3k17 n LEU 119 Cb 0.11 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3k17 n LEU 119 CO 0.00 0.71 0.03 0.61 -1.33 0.00 0.00 177.39 177.41 3k17 n GLY 120 N -0.05 0.06 0.11 -0.72 0.00 -1.26 -0.20 105.19 103.13 3k17 n GLY 120 Ca 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3k17 n GLY 120 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k17 h SER 121 N -0.67 -0.00 -0.64 1.61 0.02 -1.94 -1.58 113.55 110.35 3k17 h SER 121 Ca -0.26 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3k17 h SER 121 Cb 1.14 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 3k17 h SER 121 CO 0.21 0.03 0.42 0.77 -1.14 0.00 0.00 176.83 177.12 3k17 h SER 122 N 0.13 0.62 -0.05 3.07 4.64 -1.99 -1.23 113.55 118.72 3k17 h SER 122 Ca 0.11 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3k17 h SER 122 Cb 0.11 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3k17 h SER 122 CO -0.14 0.42 -0.15 0.00 -0.87 0.00 0.00 176.83 176.08 3k17 h ALA 123 N 1.64 0.09 -0.73 5.18 0.00 -1.83 -2.31 119.26 121.30 3k17 h ALA 123 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k17 h ALA 123 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3k17 h ALA 123 CO -0.08 0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.63 3k17 h ALA 124 N 0.44 0.93 -0.56 0.00 0.00 -1.03 0.10 119.26 119.15 3k17 h ALA 124 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k17 h ALA 124 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3k17 h ALA 124 CO 0.03 0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.98 3k17 h ALA 125 N 1.24 0.71 0.03 0.00 0.00 -1.29 0.20 119.26 120.15 3k17 h ALA 125 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k17 h ALA 125 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3k17 h ALA 125 CO -0.05 0.23 -0.01 1.15 0.00 0.00 0.00 179.25 180.57 3k17 h THR 126 N 0.75 1.04 -0.69 0.00 2.02 -0.82 -2.49 112.91 112.71 3k17 h THR 126 Ca 0.20 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3k17 h THR 126 Cb 0.05 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 3k17 h THR 126 CO -0.03 0.05 0.46 0.58 0.37 0.00 0.00 175.52 176.95 3k17 h VAL 127 N -0.13 1.15 -0.07 3.16 2.07 -0.50 -1.85 116.25 120.07 3k17 h VAL 127 Ca -0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3k17 h VAL 127 Cb 0.12 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3k17 h VAL 127 CO 0.01 0.16 0.03 0.00 0.02 0.00 0.00 177.57 177.79 3k17 h ALA 128 N 1.58 0.09 -0.28 1.67 0.00 -0.36 -0.38 119.26 121.58 3k17 h ALA 128 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k17 h ALA 128 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3k17 h ALA 128 CO -0.06 -0.34 0.18 0.28 0.00 0.00 0.00 179.25 179.30 3k17 h VAL 129 N -0.03 1.05 -0.47 0.00 2.07 -1.14 0.21 116.25 117.94 3k17 h VAL 129 Ca 0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3k17 h VAL 129 Cb 0.15 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3k17 h VAL 129 CO -0.00 0.07 0.25 0.40 0.02 0.00 0.00 177.57 178.30 3k17 h ILE 130 N 0.36 1.17 -0.60 4.57 1.08 -1.23 -0.87 117.51 121.99 3k17 h ILE 130 Ca 0.11 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 64.08 3k17 h ILE 130 Cb -0.03 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 3k17 h ILE 130 CO -0.03 0.18 0.18 0.78 -0.69 0.00 0.00 178.15 178.56 3k17 h ASN 131 N 0.62 0.88 0.32 1.72 2.35 -0.78 -3.21 115.58 117.48 3k17 h ASN 131 Ca 0.16 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3k17 h ASN 131 Cb 0.06 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3k17 h ASN 131 CO -0.03 0.86 -0.16 0.00 -1.65 0.00 0.00 177.43 176.46 3k17 h ALA 132 N 1.05 -0.44 0.00 -0.83 0.00 -0.32 -0.78 119.26 117.95 3k17 h ALA 132 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k17 h ALA 132 Cb 0.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3k17 h ALA 132 CO -0.00 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.83 3k17 n LEU 133 N -5.24 0.47 0.00 0.00 4.77 -0.36 -1.25 117.00 115.40 3k17 n LEU 133 Ca -0.10 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3k17 n LEU 133 Cb 0.22 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3k17 n LEU 133 CO 0.34 0.09 0.00 0.41 -1.33 0.00 0.00 177.39 176.90 3k17 n THR 135 N 0.61 0.00 -0.08 -5.08 -1.04 -0.30 -0.75 114.28 107.63 3k17 n THR 135 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3k17 n THR 135 Cb 0.09 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.55 3k17 n THR 135 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3k17 h LYS 136 N 0.00 0.46 0.00 -2.82 1.63 -1.40 -3.29 116.57 111.14 3k17 h LYS 136 Ca 0.00 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 3k17 h LYS 136 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3k17 h LYS 136 CO 0.00 0.68 -1.36 1.19 -3.45 0.00 0.00 179.45 176.51 3k17 n PHE 137 N -4.58 0.00 -2.82 1.91 3.72 0.07 -4.79 117.46 110.96 3k17 n PHE 137 Ca -0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 3k17 n PHE 137 Cb 0.29 -0.22 0.05 0.00 -0.94 0.00 0.00 39.48 38.66 3k17 n PHE 137 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3k17 n TYR 138 N -1.79 -1.11 0.03 1.38 4.19 -1.26 -4.99 117.16 113.61 3k17 n TYR 138 Ca -0.01 -2.65 0.22 0.00 3.31 0.00 0.00 57.90 58.76 3k17 n TYR 138 Cb 0.29 0.66 0.73 0.00 0.49 0.00 0.00 39.34 41.51 3k17 n TYR 138 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 3k17 h PRO 139 N 2.75 0.00 -0.01 2.98 0.13 -1.87 -1.92 132.00 134.06 3k17 h PRO 139 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3k17 h PRO 139 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k17 h PRO 139 CO 0.26 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.18 3k17 n GLU 140 N -3.84 1.19 -2.27 0.86 0.00 -1.26 -4.88 120.64 110.44 3k17 n GLU 140 Ca 0.10 -0.27 -0.41 0.00 0.00 0.00 0.00 57.16 56.58 3k17 n GLU 140 Cb 0.70 -1.45 -0.03 0.00 0.00 0.00 0.00 31.44 30.66 3k17 n GLU 140 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3k17 s ILE 141 N -1.99 3.12 0.00 3.84 2.07 -0.72 -5.19 121.20 122.33 3k17 s ILE 141 Ca 0.41 1.07 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 3k17 s ILE 141 Cb 0.20 -3.68 0.00 0.00 0.13 0.00 0.00 42.46 39.11 3k17 s ILE 141 CO 0.33 0.23 0.00 -1.54 -1.91 0.00 0.00 174.94 172.05 3k17 n SER 142 N 1.40 0.00 0.00 4.50 3.41 -1.26 -4.89 113.62 116.78 3k17 n SER 142 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3k17 n SER 142 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3k17 n SER 142 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3k17 n LEU 144 N 0.00 0.00 0.05 1.04 7.94 -1.26 -2.36 117.00 122.41 3k17 n LEU 144 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3k17 n LEU 144 Cb 0.00 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.20 3k17 n LEU 144 CO 0.00 0.00 0.75 0.11 -1.11 0.00 0.00 177.39 177.14 3k17 h LYS 145 N 0.00 0.37 -0.33 1.96 1.57 -1.99 -1.03 116.57 117.12 3k17 h LYS 145 Ca 0.00 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 3k17 h LYS 145 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3k17 h LYS 145 CO 0.00 0.61 -0.31 0.87 -0.57 0.00 0.00 179.45 180.04 3k17 h LYS 146 N 0.33 0.72 -0.36 3.15 1.57 -1.81 -1.13 116.57 119.04 3k17 h LYS 146 Ca 0.05 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3k17 h LYS 146 Cb 0.63 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3k17 h LYS 146 CO 0.05 0.94 0.19 0.35 -0.57 0.00 0.00 179.45 180.41 3k17 h PHE 147 N 0.61 0.49 -0.35 -1.35 3.57 -1.71 -1.25 116.94 116.96 3k17 h PHE 147 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3k17 h PHE 147 Cb 0.83 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3k17 h PHE 147 CO 0.04 0.39 0.18 0.87 -2.23 0.00 0.00 178.31 177.56 3k17 h LYS 148 N 0.45 0.36 -0.50 1.11 1.57 -0.88 0.40 116.57 119.07 3k17 h LYS 148 Ca 0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3k17 h LYS 148 Cb 0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3k17 h LYS 148 CO -0.02 0.24 0.27 -0.07 -0.57 0.00 0.00 179.45 179.30 3k17 h LEU 149 N 0.37 0.41 -0.57 2.94 3.38 -1.01 -0.43 115.31 120.40 3k17 h LEU 149 Ca 0.14 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3k17 h LEU 149 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3k17 h LEU 149 CO -0.09 0.29 -0.02 0.00 0.09 0.00 0.00 178.44 178.71 3k17 h ALA 150 N 1.25 0.78 -0.11 1.53 0.00 -0.59 -2.03 119.26 120.08 3k17 h ALA 150 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3k17 h ALA 150 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k17 h ALA 150 CO -0.13 0.63 0.04 0.00 0.00 0.00 0.00 179.25 179.79 3k17 h ALA 151 N 0.97 0.14 -0.23 0.00 0.00 0.11 0.06 119.26 120.31 3k17 h ALA 151 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 151 Cb 0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3k17 h ALA 151 CO 0.03 -0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 178.92 3k17 h LEU 152 N -0.00 -0.20 0.25 0.00 3.38 -1.04 0.23 115.31 117.94 3k17 h LEU 152 Ca 0.04 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3k17 h LEU 152 Cb 0.21 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3k17 h LEU 152 CO -0.00 -0.07 -0.37 -1.28 0.09 0.00 0.00 178.44 176.81 3k17 h SER 153 N 0.01 -1.05 -0.71 -0.43 0.87 -1.18 -1.84 113.55 109.21 3k17 h SER 153 Ca 0.11 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3k17 h SER 153 Cb 0.17 0.37 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3k17 h SER 153 CO -0.23 -0.49 0.28 -0.74 -0.53 0.00 0.00 176.83 175.12 3k17 h HIS 154 N -0.69 1.11 -0.47 2.24 -0.00 -0.69 -2.75 115.15 113.90 3k17 h HIS 154 Ca -0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.18 3k17 h HIS 154 Cb 0.66 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 3k17 h HIS 154 CO -0.27 0.85 -0.12 1.37 -0.00 0.00 0.00 177.93 179.76 3k17 h LEU 155 N 1.06 0.87 -0.86 0.26 8.10 -0.37 0.26 115.31 124.63 3k17 h LEU 155 Ca 0.24 -0.28 -0.12 0.00 0.11 0.00 0.00 57.88 57.84 3k17 h LEU 155 Cb 0.22 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.18 3k17 h LEU 155 CO -0.02 1.00 -0.56 -0.37 -4.11 0.00 0.00 178.44 174.39 3k17 h VAL 156 N 0.78 1.40 0.11 0.15 -1.51 -1.18 0.17 116.25 116.17 3k17 h VAL 156 Ca 0.13 -1.91 -0.14 0.00 -1.23 0.00 0.00 66.70 63.54 3k17 h VAL 156 Cb 0.64 2.02 0.02 0.00 -2.13 0.00 0.00 31.29 31.83 3k17 h VAL 156 CO 0.04 0.55 -0.64 0.58 -1.23 0.00 0.00 177.57 176.87 3k17 h VAL 157 N 0.02 1.57 -0.26 7.19 2.07 -1.30 -3.33 116.25 122.21 3k17 h VAL 157 Ca -0.00 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 64.91 3k17 h VAL 157 Cb 0.99 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.98 3k17 h VAL 157 CO 0.07 0.69 -0.31 -0.61 0.02 0.00 0.00 177.57 177.43 3k17 h GLN 158 N -0.53 0.54 0.00 1.57 5.75 -0.99 -3.47 115.11 117.99 3k17 h GLN 158 Ca -0.11 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 3k17 h GLN 158 Cb 1.49 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.02 3k17 h GLN 158 CO 0.11 0.79 0.00 0.41 -2.65 0.00 0.00 178.83 177.49 3k17 n GLY 159 N -0.21 2.55 0.36 2.39 0.00 0.05 -4.92 105.19 105.41 3k17 n GLY 159 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3k17 n GLY 159 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k17 n ASN 160 N 0.00 -0.22 0.00 1.61 0.23 -1.25 -5.01 115.26 110.62 3k17 n ASN 160 Ca 0.00 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.90 3k17 n ASN 160 Cb 0.00 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3k17 n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k17 n GLY 161 N -0.05 2.49 0.19 4.83 0.00 -1.26 -4.77 105.19 106.62 3k17 n GLY 161 Ca -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.43 3k17 n GLY 161 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k17 h SER 162 N 0.00 0.00 -0.01 1.61 4.64 -1.86 -3.47 113.55 114.46 3k17 h SER 162 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k17 h SER 162 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k17 h SER 162 CO 0.00 0.07 -0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3k17 h GLY 164 N 0.00 0.25 1.01 0.00 0.00 -1.95 -1.31 103.07 101.07 3k17 h GLY 164 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3k17 h GLY 164 CO 0.01 0.12 -0.07 1.29 0.00 0.00 0.00 176.54 177.89 3k17 h ASP 165 N 0.23 0.85 -0.67 0.19 2.03 -2.00 -1.51 116.42 115.54 3k17 h ASP 165 Ca 0.05 -0.34 0.01 0.00 -0.73 0.00 0.00 57.03 56.02 3k17 h ASP 165 Cb 0.20 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 38.44 3k17 h ASP 165 CO 0.01 0.99 0.44 0.40 -1.03 0.00 0.00 179.24 180.05 3k17 h ILE 166 N 0.69 1.16 -0.40 4.15 1.08 -1.64 -2.40 117.51 120.14 3k17 h ILE 166 Ca 0.12 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 3k17 h ILE 166 Cb 0.60 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3k17 h ILE 166 CO 0.04 0.16 0.21 0.00 -0.69 0.00 0.00 178.15 177.87 3k17 h ALA 167 N 1.25 0.52 -0.13 1.87 0.00 -1.00 -3.11 119.26 118.67 3k17 h ALA 167 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k17 h ALA 167 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3k17 h ALA 167 CO -0.06 0.07 0.08 1.03 0.00 0.00 0.00 179.25 180.37 3k17 h SER 168 N 0.52 0.15 0.00 0.00 0.87 -1.03 -0.43 113.55 113.62 3k17 h SER 168 Ca 0.14 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3k17 h SER 168 Cb 0.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3k17 h SER 168 CO -0.02 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.41 3k17 n TYR 171 N 0.70 0.00 -3.65 0.00 4.02 -0.17 -4.47 117.16 113.59 3k17 n TYR 171 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3k17 n TYR 171 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.39 3k17 n TYR 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k17 n GLY 172 N -0.22 -1.42 7.00 2.72 0.00 0.18 -4.77 105.19 108.68 3k17 n GLY 172 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3k17 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 173 N -1.14 1.35 3.42 -0.02 0.00 0.05 -4.66 105.19 104.20 3k17 n GLY 173 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 3k17 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k17 s TRP 174 N 0.00 2.79 0.05 1.61 0.52 -1.26 -0.57 118.94 122.07 3k17 s TRP 174 Ca 0.00 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 3k17 s TRP 174 Cb 0.00 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3k17 s TRP 174 CO 0.00 -0.03 -0.02 0.96 0.02 0.00 0.00 176.95 177.87 3k17 s ILE 175 N -0.09 0.20 -0.26 2.03 -4.36 0.15 -0.45 121.20 118.41 3k17 s ILE 175 Ca -0.02 -1.63 -0.06 0.00 -0.26 0.00 0.00 60.65 58.68 3k17 s ILE 175 Cb -0.14 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.27 3k17 s ILE 175 CO 0.04 -0.90 0.04 0.00 0.24 0.00 0.00 174.94 174.36 3k17 s ALA 176 N -3.50 3.02 -0.16 2.27 0.00 0.40 -0.99 121.76 122.81 3k17 s ALA 176 Ca 0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 3k17 s ALA 176 Cb 0.05 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3k17 s ALA 176 CO -0.08 -0.67 -0.07 -0.47 0.00 0.00 0.00 175.76 174.47 3k17 s TYR 177 N 1.52 2.94 -0.28 0.00 5.04 0.14 -1.21 117.35 125.51 3k17 s TYR 177 Ca 0.04 -0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 54.09 3k17 s TYR 177 Cb -0.16 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.23 3k17 s TYR 177 CO 0.01 -0.22 -0.02 0.99 -1.34 0.00 0.00 175.55 174.98 3k17 s THR 178 N 0.63 3.03 0.21 4.34 2.01 -0.06 -0.24 115.64 125.58 3k17 s THR 178 Ca -0.04 -1.18 -0.32 0.00 0.31 0.00 0.00 61.69 60.45 3k17 s THR 178 Cb -0.15 -2.65 -0.14 0.00 0.01 0.00 0.00 72.50 69.57 3k17 s THR 178 CO 0.03 0.03 1.41 0.41 -0.69 0.00 0.00 174.62 175.80 3k17 n THR 179 N 4.66 0.74 -1.64 -0.82 -1.04 -0.87 -2.13 114.28 113.19 3k17 n THR 179 Ca -0.15 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.38 3k17 n THR 179 Cb 0.45 -1.40 0.10 0.00 -1.82 0.00 0.00 70.33 67.66 3k17 n THR 179 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3k17 s PHE 180 N 0.12 2.81 -0.72 -1.42 -0.12 -1.26 -0.33 117.98 117.06 3k17 s PHE 180 Ca 0.71 0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 58.32 3k17 s PHE 180 Cb -0.68 -3.25 -0.02 0.00 -0.63 0.00 0.00 43.02 38.44 3k17 s PHE 180 CO 0.48 -1.88 1.80 0.34 -0.05 0.00 0.00 175.22 175.90 3k17 s ASP 181 N -4.09 5.39 0.28 1.98 -1.08 -0.11 -4.44 116.67 114.60 3k17 s ASP 181 Ca 0.62 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.59 3k17 s ASP 181 Cb -0.14 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.19 3k17 s ASP 181 CO 0.53 -2.37 1.71 1.56 0.52 0.00 0.00 175.17 177.12 3k17 h GLN 182 N 13.28 0.44 -0.63 4.34 4.20 -1.91 -2.53 115.11 132.30 3k17 h GLN 182 Ca -0.15 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 3k17 h GLN 182 Cb 1.10 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 3k17 h GLN 182 CO 1.23 0.69 0.15 1.49 -0.67 0.00 0.00 178.83 181.72 3k17 h GLU 183 N 0.38 1.01 -0.40 1.46 4.81 -1.99 0.76 114.58 120.61 3k17 h GLU 183 Ca 0.05 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3k17 h GLU 183 Cb 0.70 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 3k17 h GLU 183 CO 0.05 0.92 0.10 2.35 -0.73 0.00 0.00 179.01 181.70 3k17 h TRP 184 N 0.92 0.17 0.00 0.92 7.01 -1.89 -1.52 115.95 121.57 3k17 h TRP 184 Ca 0.20 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3k17 h TRP 184 Cb 0.36 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 3k17 h TRP 184 CO 0.03 0.04 -0.00 0.28 -2.79 0.00 0.00 178.44 176.00 3k17 h VAL 185 N 0.24 1.28 -0.57 2.65 2.07 -1.05 -2.98 116.25 117.89 3k17 h VAL 185 Ca 0.19 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3k17 h VAL 185 Cb 0.21 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3k17 h VAL 185 CO -0.23 0.21 0.25 0.11 0.02 0.00 0.00 177.57 177.93 3k17 h LYS 186 N -0.36 0.45 -0.89 1.57 1.57 -0.69 -1.36 116.57 116.87 3k17 h LYS 186 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3k17 h LYS 186 Cb 0.35 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3k17 h LYS 186 CO 0.00 0.30 0.51 0.45 -0.57 0.00 0.00 179.45 180.14 3k17 h HIS 187 N 0.47 1.20 0.00 -1.35 3.86 -1.33 -2.74 115.15 115.26 3k17 h HIS 187 Ca 0.27 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3k17 h HIS 187 Cb 0.27 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3k17 h HIS 187 CO -0.13 0.82 0.00 0.54 0.86 0.00 0.00 177.93 180.01 3k17 n ARG 188 N -4.34 0.25 0.29 2.45 1.74 -0.72 -3.23 116.66 113.11 3k17 n ARG 188 Ca 0.10 0.29 0.15 0.00 -0.77 0.00 0.00 57.85 57.62 3k17 n ARG 188 Cb 0.08 -1.84 0.87 0.00 -1.02 0.00 0.00 32.46 30.55 3k17 n ARG 188 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3k17 h LEU 189 N 0.00 0.00 0.00 0.55 3.38 -0.95 0.22 115.31 118.51 3k17 h LEU 189 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k17 h LEU 189 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k17 h LEU 189 CO 0.00 0.04 -0.41 0.00 0.09 0.00 0.00 178.44 178.16 3k17 h ALA 190 N 1.96 0.80 0.00 1.53 0.00 -1.70 -3.40 119.26 118.45 3k17 h ALA 190 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k17 h ALA 190 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k17 h ALA 190 CO 0.01 0.12 0.00 2.48 0.00 0.00 0.00 179.25 181.86 3k17 n TYR 191 N -2.99 0.00 -4.31 0.00 0.18 -0.83 -5.08 117.16 104.12 3k17 n TYR 191 Ca 0.02 -0.02 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 3k17 n TYR 191 Cb 0.58 -0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.42 3k17 n TYR 191 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3k17 s LYS 192 N -0.05 1.78 0.52 -3.48 -0.14 0.73 -5.10 119.74 114.01 3k17 s LYS 192 Ca 0.00 -1.23 -0.04 0.00 -1.36 0.00 0.00 55.97 53.34 3k17 s LYS 192 Cb 0.00 -2.09 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 3k17 s LYS 192 CO 0.00 0.47 0.81 -1.54 -0.76 0.00 0.00 175.35 174.32 3k17 s SER 193 N -2.28 5.84 0.17 2.83 1.04 -1.26 -4.73 113.70 115.31 3k17 s SER 193 Ca 0.19 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 57.13 3k17 s SER 193 Cb -0.10 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 64.28 3k17 s SER 193 CO 0.11 -0.83 1.81 -0.07 0.98 0.00 0.00 173.24 175.23 3k17 h LEU 194 N 0.09 0.46 -1.22 2.42 -0.00 -1.98 -1.16 115.31 113.93 3k17 h LEU 194 Ca -0.46 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.46 3k17 h LEU 194 Cb 1.24 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.76 3k17 h LEU 194 CO 0.60 0.33 0.54 1.05 -0.00 0.00 0.00 178.44 180.96 3k17 h GLU 195 N 0.57 0.98 -0.30 1.13 4.11 -1.94 -1.17 114.58 117.96 3k17 h GLU 195 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 3k17 h GLU 195 Cb 0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3k17 h GLU 195 CO -0.08 0.65 0.16 2.35 0.07 0.00 0.00 179.01 182.15 3k17 h TRP 196 N 1.01 0.42 0.00 2.06 7.01 -1.71 -2.29 115.95 122.45 3k17 h TRP 196 Ca 0.33 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.31 3k17 h TRP 196 Cb 0.04 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 3k17 h TRP 196 CO -0.00 0.36 0.00 1.19 -2.79 0.00 0.00 178.44 177.20 3k17 n PHE 197 N -4.80 0.00 0.00 2.65 3.72 -0.44 -1.03 117.46 117.56 3k17 n PHE 197 Ca -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3k17 n PHE 197 Cb 0.09 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3k17 n PHE 197 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3k17 n LYS 199 N 1.09 0.00 -3.01 -1.08 5.02 -0.86 -4.81 118.16 114.50 3k17 n LYS 199 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3k17 n LYS 199 Cb 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.97 3k17 n LYS 199 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3k17 s GLU 200 N -0.11 4.46 0.26 1.97 2.56 -0.20 -5.03 118.70 122.62 3k17 s GLU 200 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 54.97 55.67 3k17 s GLU 200 Cb 0.00 -3.39 -0.09 0.00 2.00 0.00 0.00 34.13 32.65 3k17 s GLU 200 CO 0.00 0.21 1.24 -1.25 -0.56 0.00 0.00 175.26 174.90 3k17 s PRO 201 N 0.23 4.45 -0.26 4.30 0.04 -1.26 -4.98 135.00 137.52 3k17 s PRO 201 Ca 0.38 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.23 3k17 s PRO 201 Cb -0.19 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3k17 s PRO 201 CO 0.21 -0.10 0.69 -1.58 0.04 0.00 0.00 177.00 176.27 3k17 s TRP 202 N -0.63 3.27 0.00 0.56 0.52 -1.26 -5.08 118.94 116.32 3k17 s TRP 202 Ca 0.51 0.86 0.00 0.00 0.02 0.00 0.00 56.10 57.48 3k17 s TRP 202 Cb -0.36 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 3k17 s TRP 202 CO 0.43 -0.39 0.29 -2.30 0.02 0.00 0.00 176.95 175.01 3k17 n PRO 203 N 5.85 0.00 0.00 4.98 -0.02 -1.26 -4.83 135.00 139.72 3k17 n PRO 203 Ca 0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3k17 n PRO 203 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3k17 n PRO 203 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3k17 n LEU 205 N 2.47 0.00 -3.64 2.45 7.94 -1.26 -0.94 117.00 124.02 3k17 n LEU 205 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3k17 n LEU 205 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3k17 n LEU 205 CO 0.14 0.00 0.34 -1.58 -1.11 0.00 0.00 177.39 175.19 3k17 s GLN 206 N -4.72 0.70 -0.17 1.96 0.74 -0.90 -4.98 119.66 112.28 3k17 s GLN 206 Ca 0.00 1.20 0.00 0.00 0.05 0.00 0.00 55.36 56.62 3k17 s GLN 206 Cb 0.00 0.15 0.04 0.00 1.10 0.00 0.00 33.01 34.29 3k17 s GLN 206 CO 0.00 -0.15 -0.10 0.42 -0.55 0.00 0.00 175.29 174.91 3k17 s ILE 207 N 1.58 1.47 -0.15 -2.34 1.01 -1.26 -0.88 121.20 120.63 3k17 s ILE 207 Ca -0.10 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3k17 s ILE 207 Cb -0.05 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3k17 s ILE 207 CO -0.19 0.26 -0.20 -0.70 0.00 0.00 0.00 174.94 174.11 3k17 s GLU 208 N 1.49 3.08 0.11 2.79 2.12 -0.35 -4.97 118.70 122.98 3k17 s GLU 208 Ca 0.01 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 3k17 s GLU 208 Cb -0.15 -2.51 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 3k17 s GLU 208 CO -0.09 -0.02 1.05 0.99 -0.54 0.00 0.00 175.26 176.65 3k17 s THR 209 N 0.85 4.25 0.35 -1.70 2.01 -1.26 -0.45 115.64 119.69 3k17 s THR 209 Ca -0.06 1.82 0.09 0.00 0.31 0.00 0.00 61.69 63.86 3k17 s THR 209 Cb -0.15 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 3k17 s THR 209 CO -0.02 0.26 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.35 3k17 s LEU 210 N 0.14 2.81 -0.04 4.42 1.43 0.41 -4.91 118.68 122.93 3k17 s LEU 210 Ca 0.50 -1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 3k17 s LEU 210 Cb -0.26 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3k17 s LEU 210 CO 0.31 -0.24 0.33 -1.61 0.23 0.00 0.00 176.35 175.37 3k17 s GLU 211 N -3.65 3.79 0.01 1.70 2.02 -1.26 -4.27 118.70 117.04 3k17 s GLU 211 Ca 0.33 0.26 -0.34 0.00 0.02 0.00 0.00 54.97 55.24 3k17 s GLU 211 Cb 0.03 -3.22 -0.13 0.00 0.10 0.00 0.00 34.13 30.91 3k17 s GLU 211 CO 0.17 0.70 1.76 -1.91 0.02 0.00 0.00 175.26 176.01 3k17 n GLU 212 N 1.91 2.17 -1.37 1.61 2.13 -1.26 -4.92 120.64 120.91 3k17 n GLU 212 Ca -0.16 0.79 -0.35 0.00 0.66 0.00 0.00 57.16 58.10 3k17 n GLU 212 Cb 0.53 -2.61 0.10 0.00 0.27 0.00 0.00 31.44 29.73 3k17 n GLU 212 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k17 n PRO 213 N 5.39 0.56 -0.05 5.31 -0.02 -1.26 -4.95 135.00 139.98 3k17 n PRO 213 Ca 0.20 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 3k17 n PRO 213 Cb 0.29 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 3k17 n PRO 213 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3k17 h VAL 214 N -0.26 1.37 -3.01 -1.45 2.07 -1.95 -3.45 116.25 109.57 3k17 h VAL 214 Ca -0.48 -1.43 -0.58 0.00 0.82 0.00 0.00 66.70 65.02 3k17 h VAL 214 Cb 1.32 2.00 0.12 0.00 -1.52 0.00 0.00 31.29 33.21 3k17 h VAL 214 CO 0.48 0.42 0.24 -2.65 0.02 0.00 0.00 177.57 176.08 3k17 n PRO 215 N -4.51 1.54 -2.09 1.57 -0.02 -1.26 -4.88 135.00 125.36 3k17 n PRO 215 Ca -0.07 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3k17 n PRO 215 Cb 0.41 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3k17 n PRO 215 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k17 s THR 216 N -1.19 3.04 -0.19 3.45 2.01 -0.40 -4.72 115.64 117.64 3k17 s THR 216 Ca 0.60 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 63.26 3k17 s THR 216 Cb -0.59 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3k17 s THR 216 CO 0.59 0.06 0.13 0.12 -0.69 0.00 0.00 174.62 174.83 3k17 s PHE 217 N 1.01 3.43 0.05 4.92 5.36 -1.26 -0.08 117.98 131.40 3k17 s PHE 217 Ca 0.66 0.35 0.07 0.00 -0.96 0.00 0.00 56.93 57.04 3k17 s PHE 217 Cb -0.39 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 3k17 s PHE 217 CO 0.32 0.33 -0.20 -1.12 -1.46 0.00 0.00 175.22 173.09 3k17 s SER 218 N 0.24 2.35 -0.11 6.13 0.01 0.37 -4.72 113.70 117.97 3k17 s SER 218 Ca 0.09 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3k17 s SER 218 Cb -0.11 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.95 3k17 s SER 218 CO -0.01 0.13 -0.16 -0.69 0.41 0.00 0.00 173.24 172.91 3k17 s VAL 219 N -0.85 1.57 -0.13 3.43 1.01 -1.26 -1.33 120.40 122.84 3k17 s VAL 219 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3k17 s VAL 219 Cb -0.09 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3k17 s VAL 219 CO 0.02 0.46 -0.22 -0.83 0.00 0.00 0.00 175.10 174.52 3k17 s GLY 220 N 0.99 1.36 -0.39 4.51 0.00 -0.26 -0.72 107.32 112.81 3k17 s GLY 220 Ca -0.06 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 43.42 3k17 s GLY 220 CO -0.02 -0.13 0.59 0.86 0.00 0.00 0.00 173.10 174.40 3k17 s TRP 221 N 0.64 3.13 -1.76 1.90 -0.00 0.30 0.58 118.94 123.73 3k17 s TRP 221 Ca -0.11 0.12 0.04 0.00 -0.00 0.00 0.00 56.10 56.16 3k17 s TRP 221 Cb -0.16 -3.14 0.14 0.00 -0.00 0.00 0.00 33.47 30.31 3k17 s TRP 221 CO 0.02 -0.69 1.04 0.25 -0.00 0.00 0.00 176.95 177.57 3k17 n THR 222 N 5.62 0.28 -2.73 5.86 -2.24 -1.23 -2.37 114.28 117.47 3k17 n THR 222 Ca -0.03 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.49 3k17 n THR 222 Cb 0.48 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3k17 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k17 n GLY 223 N 0.62 -0.02 3.06 3.38 0.00 -1.26 -4.47 105.19 106.49 3k17 n GLY 223 Ca 0.05 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3k17 n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k17 s THR 224 N -3.15 4.00 -0.19 2.61 2.01 -1.26 -4.86 115.64 114.80 3k17 s THR 224 Ca 0.00 -3.99 -0.10 0.00 0.31 0.00 0.00 61.69 57.92 3k17 s THR 224 Cb -0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3k17 s THR 224 CO 0.14 -1.07 0.61 -2.65 -0.69 0.00 0.00 174.62 170.95 3k17 n PRO 225 N 2.22 0.00 -2.76 4.92 -0.02 -1.26 -4.08 135.00 134.02 3k17 n PRO 225 Ca 0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3k17 n PRO 225 Cb 0.36 -0.38 -0.03 0.00 -0.02 0.00 0.00 33.50 33.43 3k17 n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k17 s VAL 226 N 1.88 4.78 -1.54 -1.45 1.01 -1.26 -4.94 120.40 118.87 3k17 s VAL 226 Ca 0.32 1.86 -0.10 0.00 0.00 0.00 0.00 61.98 64.06 3k17 s VAL 226 Cb -0.35 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 3k17 s VAL 226 CO 0.15 -0.07 2.71 -1.54 0.00 0.00 0.00 175.10 176.35 3k17 n SER 227 N 5.71 7.70 -0.20 3.32 3.41 -1.26 -4.77 113.62 127.53 3k17 n SER 227 Ca 0.08 -2.72 0.05 0.00 -0.26 0.00 0.00 58.87 56.02 3k17 n SER 227 Cb 0.48 -1.54 0.11 0.00 -0.26 0.00 0.00 64.21 62.99 3k17 n SER 227 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3k17 n THR 228 N 3.55 -0.24 -0.46 6.66 -1.04 -1.26 0.14 114.28 121.63 3k17 n THR 228 Ca 0.70 1.29 0.42 0.00 -2.04 0.00 0.00 64.05 64.42 3k17 n THR 228 Cb 0.26 -1.82 0.77 0.00 -1.82 0.00 0.00 70.33 67.73 3k17 n THR 228 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k17 h GLY 229 N 0.00 0.06 0.00 3.41 0.00 -2.00 -1.99 103.07 102.56 3k17 h GLY 229 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3k17 h GLY 229 CO -0.57 -0.01 0.00 1.17 0.00 0.00 0.00 176.54 177.12 3k17 n LYS 230 N -4.12 0.00 -0.25 4.80 4.81 0.37 -3.65 118.16 120.12 3k17 n LYS 230 Ca 0.33 0.13 -0.07 0.00 -0.87 0.00 0.00 58.31 57.83 3k17 n LYS 230 Cb 1.52 -0.51 -0.06 0.00 0.02 0.00 0.00 35.03 36.00 3k17 n LYS 230 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3k17 n LEU 231 N -1.51 -0.64 -0.25 3.14 7.94 -1.15 -0.16 117.00 124.38 3k17 n LEU 231 Ca 0.00 1.13 -0.06 0.00 -1.11 0.00 0.00 56.01 55.97 3k17 n LEU 231 Cb 0.00 -0.17 0.05 0.00 0.53 0.00 0.00 43.42 43.83 3k17 n LEU 231 CO 0.00 -0.90 1.03 0.58 -1.11 0.00 0.00 177.39 176.98 3k17 h VAL 232 N 0.00 1.24 -0.16 1.96 2.07 -1.62 -2.74 116.25 117.00 3k17 h VAL 232 Ca 0.10 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3k17 h VAL 232 Cb 0.25 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3k17 h VAL 232 CO -0.56 0.30 -0.14 0.77 0.02 0.00 0.00 177.57 177.95 3k17 h SER 233 N 0.99 0.25 0.16 0.57 4.64 -0.62 -0.81 113.55 118.72 3k17 h SER 233 Ca 0.23 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3k17 h SER 233 Cb 0.19 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3k17 h SER 233 CO -0.02 0.42 -0.21 1.56 -0.87 0.00 0.00 176.83 177.71 3k17 h GLN 234 N 0.25 0.11 0.10 4.77 4.20 -0.42 -0.25 115.11 123.87 3k17 h GLN 234 Ca 0.05 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.46 3k17 h GLN 234 Cb 0.41 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.19 3k17 h GLN 234 CO 0.02 0.32 -1.18 0.82 -0.67 0.00 0.00 178.83 178.14 3k17 h ILE 235 N 0.10 1.37 -0.46 2.54 1.08 -1.23 -1.79 117.51 119.12 3k17 h ILE 235 Ca 0.02 -2.63 0.07 0.00 -0.39 0.00 0.00 64.86 61.92 3k17 h ILE 235 Cb 0.43 2.71 -0.06 0.00 -3.07 0.00 0.00 36.82 36.84 3k17 h ILE 235 CO 0.03 0.79 0.15 -0.74 -0.69 0.00 0.00 178.15 177.68 3k17 h HIS 236 N 0.20 0.25 -0.28 1.37 2.76 -0.18 0.30 115.15 119.58 3k17 h HIS 236 Ca -0.15 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.89 3k17 h HIS 236 Cb 1.86 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.77 3k17 h HIS 236 CO 0.09 0.07 -0.46 0.00 -1.30 0.00 0.00 177.93 176.33 3k17 h ALA 237 N 1.32 0.66 -0.22 5.26 0.00 -1.11 -3.10 119.26 122.07 3k17 h ALA 237 Ca 0.22 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3k17 h ALA 237 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3k17 h ALA 237 CO -0.25 0.67 -0.00 0.35 0.00 0.00 0.00 179.25 180.03 3k17 h PHE 238 N 0.59 -0.02 0.00 0.00 3.57 -0.29 -3.11 116.94 117.68 3k17 h PHE 238 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3k17 h PHE 238 Cb 1.02 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3k17 h PHE 238 CO 0.05 -0.04 0.00 1.17 -2.23 0.00 0.00 178.31 177.27 3k17 n LYS 239 N -5.15 0.00 -0.98 1.11 4.81 0.94 -1.51 118.16 117.38 3k17 n LYS 239 Ca -0.02 0.83 -0.30 0.00 -0.87 0.00 0.00 58.31 57.95 3k17 n LYS 239 Cb 0.12 -1.39 -0.02 0.00 0.02 0.00 0.00 35.03 33.76 3k17 n LYS 239 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k17 n GLN 240 N -2.44 2.38 0.00 1.64 10.64 -1.18 -2.67 117.38 125.75 3k17 n GLN 240 Ca 0.00 -1.74 0.00 0.00 -1.83 0.00 0.00 57.00 53.43 3k17 n GLN 240 Cb 0.00 -2.65 0.00 0.00 -0.86 0.00 0.00 30.24 26.73 3k17 n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3k17 n GLU 241 N 4.62 0.00 -3.12 2.61 4.07 -0.72 -4.96 120.64 123.14 3k17 n GLU 241 Ca 0.53 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 57.37 3k17 n GLU 241 Cb 0.21 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.54 3k17 n GLU 241 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3k17 n ASP 242 N -2.25 3.50 -0.32 4.31 -0.08 -0.57 -4.93 116.55 116.21 3k17 n ASP 242 Ca 0.00 -3.46 0.20 0.00 -1.51 0.00 0.00 54.79 50.02 3k17 n ASP 242 Cb 0.00 -0.60 0.40 0.00 2.34 0.00 0.00 41.12 43.26 3k17 n ASP 242 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3k17 h SER 243 N 3.38 0.12 0.49 1.67 0.02 -1.82 -0.89 113.55 116.52 3k17 h SER 243 Ca 0.14 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 3k17 h SER 243 Cb 0.63 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3k17 h SER 243 CO 0.76 -0.24 -0.38 0.11 -1.14 0.00 0.00 176.83 175.93 3k17 h LYS 244 N 0.17 -0.81 -0.33 3.45 1.57 -1.91 0.32 116.57 119.01 3k17 h LYS 244 Ca 0.67 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 3k17 h LYS 244 Cb 1.51 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 3k17 h LYS 244 CO -0.71 -0.54 0.21 -0.91 -0.57 0.00 0.00 179.45 176.93 3k17 h ASN 245 N -0.84 0.38 0.01 0.86 4.21 -1.75 0.09 115.58 118.53 3k17 h ASN 245 Ca -0.06 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.37 3k17 h ASN 245 Cb 0.70 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.81 3k17 h ASN 245 CO 0.01 0.28 -0.26 0.22 -1.29 0.00 0.00 177.43 176.40 3k17 h TYR 246 N 0.45 0.25 0.00 1.19 3.20 -1.06 -2.35 116.97 118.65 3k17 h TYR 246 Ca 0.12 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 3k17 h TYR 246 Cb -0.04 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3k17 h TYR 246 CO 0.00 0.96 -0.09 0.37 -1.64 0.00 0.00 178.16 177.75 3k17 h GLN 247 N -0.54 0.00 -0.24 1.82 5.75 -0.17 -0.70 115.11 121.03 3k17 h GLN 247 Ca -0.03 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3k17 h GLN 247 Cb 1.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 3k17 h GLN 247 CO 0.05 0.09 -0.06 1.25 -2.65 0.00 0.00 178.83 177.52 3k17 h HIS 248 N 0.00 0.52 0.39 3.99 2.76 -0.94 0.07 115.15 121.94 3k17 h HIS 248 Ca -0.00 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 3k17 h HIS 248 Cb 0.19 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3k17 h HIS 248 CO 0.00 0.69 -0.34 0.35 -1.30 0.00 0.00 177.93 177.33 3k17 h PHE 249 N 0.21 -0.90 -0.21 5.26 3.57 -0.63 0.08 116.94 124.31 3k17 h PHE 249 Ca 0.06 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3k17 h PHE 249 Cb 0.52 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 3k17 h PHE 249 CO 0.05 -0.49 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.39 3k17 h LEU 250 N -0.74 -0.61 -0.40 0.59 3.38 -1.14 0.34 115.31 116.74 3k17 h LEU 250 Ca -0.03 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3k17 h LEU 250 Cb 0.65 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3k17 h LEU 250 CO -0.03 -0.23 0.04 0.74 0.09 0.00 0.00 178.44 179.05 3k17 h THR 251 N -0.20 0.74 -0.32 0.22 2.02 -0.80 -0.81 112.91 113.77 3k17 h THR 251 Ca 0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3k17 h THR 251 Cb 0.39 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3k17 h THR 251 CO -0.33 0.03 0.10 -0.09 0.37 0.00 0.00 175.52 175.60 3k17 h ARG 252 N 0.15 0.49 -0.96 6.66 9.65 -0.39 -2.75 114.38 127.23 3k17 h ARG 252 Ca 0.19 -0.10 0.11 0.00 -1.10 0.00 0.00 59.98 59.08 3k17 h ARG 252 Cb 0.26 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.69 3k17 h ARG 252 CO -0.29 0.52 0.61 -0.97 2.80 0.00 0.00 179.97 182.64 3k17 h ASN 253 N 0.36 0.88 -0.34 -3.80 -0.73 0.25 -0.79 115.58 111.41 3k17 h ASN 253 Ca 0.10 0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.20 3k17 h ASN 253 Cb 0.24 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3k17 h ASN 253 CO -0.00 0.49 -0.19 0.78 -0.37 0.00 0.00 177.43 178.14 3k17 h ASN 254 N 0.96 0.82 0.38 1.15 2.35 -0.98 -3.13 115.58 117.13 3k17 h ASN 254 Ca 0.46 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3k17 h ASN 254 Cb 0.44 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3k17 h ASN 254 CO -0.22 0.99 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.04 3k17 h GLU 255 N 0.72 -0.50 -1.98 0.81 5.08 -0.91 -2.11 114.58 115.69 3k17 h GLU 255 Ca 0.10 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k17 h GLU 255 Cb 0.70 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3k17 h GLU 255 CO 0.05 -0.25 0.00 -0.89 -1.00 0.00 0.00 179.01 176.92 3k17 n ILE 256 N -5.26 0.00 0.00 3.13 5.41 -0.46 -2.71 119.36 119.48 3k17 n ILE 256 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3k17 n ILE 256 Cb 0.25 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 3k17 n ILE 256 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3k17 n LYS 258 N 1.07 0.00 0.00 0.38 4.81 -0.79 -1.52 118.16 122.11 3k17 n LYS 258 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3k17 n LYS 258 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3k17 n LYS 258 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3k17 h GLN 259 N 0.00 -0.06 -0.39 1.64 4.20 -1.80 -2.46 115.11 116.24 3k17 h GLN 259 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3k17 h GLN 259 Cb 0.00 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3k17 h GLN 259 CO 0.00 0.44 0.26 0.97 -0.67 0.00 0.00 178.83 179.83 3k17 h ILE 260 N -0.59 1.01 -0.36 2.54 2.10 -1.58 0.16 117.51 120.80 3k17 h ILE 260 Ca -0.01 -0.13 -0.14 0.00 1.08 0.00 0.00 64.86 65.66 3k17 h ILE 260 Cb 0.52 0.59 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3k17 h ILE 260 CO 0.01 0.07 -0.34 0.40 -1.08 0.00 0.00 178.15 177.21 3k17 h ILE 261 N 0.38 1.28 -0.55 2.19 2.04 -1.81 -1.72 117.51 119.32 3k17 h ILE 261 Ca 0.16 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 3k17 h ILE 261 Cb 0.17 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3k17 h ILE 261 CO -0.04 0.50 0.09 -0.61 0.00 0.00 0.00 178.15 178.09 3k17 h GLN 262 N 0.65 0.87 -0.95 2.37 4.15 -0.66 0.16 115.11 121.71 3k17 h GLN 262 Ca 0.06 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.30 3k17 h GLN 262 Cb 0.92 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 3k17 h GLN 262 CO 0.08 0.82 0.62 0.00 -1.93 0.00 0.00 178.83 178.42 3k17 h ALA 263 N 1.26 1.24 -0.04 3.38 0.00 -0.45 0.42 119.26 125.07 3k17 h ALA 263 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k17 h ALA 263 Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k17 h ALA 263 CO 0.01 0.52 -0.03 0.74 0.00 0.00 0.00 179.25 180.49 3k17 h PHE 264 N 1.22 0.11 0.00 0.00 0.04 -0.52 0.27 116.94 118.06 3k17 h PHE 264 Ca 0.37 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 3k17 h PHE 264 Cb -0.04 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3k17 h PHE 264 CO -0.01 0.51 -0.10 0.45 -0.60 0.00 0.00 178.31 178.56 3k17 h HIS 265 N -0.33 0.00 -0.08 -0.55 3.86 -0.08 -2.81 115.15 115.16 3k17 h HIS 265 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3k17 h HIS 265 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3k17 h HIS 265 CO 0.08 0.10 0.00 0.25 0.86 0.00 0.00 177.93 179.22 3k17 n THR 266 N -4.39 0.19 -3.42 2.45 -2.24 0.14 -4.98 114.28 102.03 3k17 n THR 266 Ca -0.03 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 3k17 n THR 266 Cb 0.18 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.55 3k17 n THR 266 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k17 n LYS 267 N 0.68 -4.80 -2.77 -0.78 5.02 0.84 -4.89 118.16 111.45 3k17 n LYS 267 Ca 0.08 0.67 -0.43 0.00 -2.02 0.00 0.00 58.31 56.62 3k17 n LYS 267 Cb 0.33 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 3k17 n LYS 267 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k17 s ASP 268 N -2.91 6.28 0.29 4.39 -1.08 -0.43 -4.91 116.67 118.31 3k17 s ASP 268 Ca 0.45 -1.11 -0.02 0.00 -0.52 0.00 0.00 52.55 51.36 3k17 s ASP 268 Cb -0.22 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.20 3k17 s ASP 268 CO 0.56 -1.47 1.94 -0.33 0.52 0.00 0.00 175.17 176.40 3k17 h GLU 269 N 9.57 1.06 -0.15 4.34 5.08 -1.90 -1.94 114.58 130.64 3k17 h GLU 269 Ca -0.16 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 57.95 3k17 h GLU 269 Cb 1.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3k17 h GLU 269 CO 1.22 0.73 -0.60 0.93 -1.00 0.00 0.00 179.01 180.30 3k17 h GLU 270 N 1.09 0.49 0.00 2.33 4.39 -1.99 -2.22 114.58 118.67 3k17 h GLU 270 Ca 0.29 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3k17 h GLU 270 Cb -0.06 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3k17 h GLU 270 CO -0.06 0.94 -0.32 1.25 -1.16 0.00 0.00 179.01 179.67 3k17 h LEU 271 N 0.37 0.00 -0.09 1.33 5.85 -1.90 -1.78 115.31 119.09 3k17 h LEU 271 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3k17 h LEU 271 Cb 1.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3k17 h LEU 271 CO 0.11 0.32 -0.07 0.25 -0.34 0.00 0.00 178.44 178.71 3k17 h LEU 272 N 0.00 0.22 -0.11 2.25 5.85 -1.03 -1.78 115.31 120.71 3k17 h LEU 272 Ca -0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3k17 h LEU 272 Cb 0.64 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3k17 h LEU 272 CO 0.04 0.63 0.06 1.88 -0.34 0.00 0.00 178.44 180.72 3k17 h TYR 273 N -0.20 0.14 -0.70 1.25 0.05 -1.20 -1.76 116.97 114.55 3k17 h TYR 273 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3k17 h TYR 273 Cb 0.56 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3k17 h TYR 273 CO 0.08 0.14 0.45 0.66 -1.05 0.00 0.00 178.16 178.44 3k17 h SER 274 N 0.11 0.82 -0.52 3.88 4.64 -1.37 -2.05 113.55 119.05 3k17 h SER 274 Ca 0.04 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3k17 h SER 274 Cb 0.04 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3k17 h SER 274 CO -0.01 0.61 0.21 0.28 -0.87 0.00 0.00 176.83 177.05 3k17 h SER 275 N 0.95 0.71 -0.79 4.97 0.02 -1.14 -1.48 113.55 116.79 3k17 h SER 275 Ca 0.25 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3k17 h SER 275 Cb -0.08 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3k17 h SER 275 CO -0.05 0.68 0.44 0.40 -1.14 0.00 0.00 176.83 177.15 3k17 h ILE 276 N 0.70 1.24 -0.50 3.27 1.08 -1.09 -1.21 117.51 120.99 3k17 h ILE 276 Ca 0.17 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3k17 h ILE 276 Cb 0.19 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 3k17 h ILE 276 CO -0.02 0.26 0.26 0.11 -0.69 0.00 0.00 178.15 178.08 3k17 h LYS 277 N 1.10 0.71 -0.74 2.37 1.57 -1.06 -0.82 116.57 119.70 3k17 h LYS 277 Ca 0.28 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3k17 h LYS 277 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3k17 h LYS 277 CO -0.05 0.57 0.36 0.93 -0.57 0.00 0.00 179.45 180.69 3k17 h GLU 278 N 0.67 1.07 -0.32 3.15 5.08 -0.86 -2.02 114.58 121.35 3k17 h GLU 278 Ca 0.18 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3k17 h GLU 278 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3k17 h GLU 278 CO -0.03 0.83 -0.19 -0.97 -1.00 0.00 0.00 179.01 177.65 3k17 h ASN 279 N 1.04 0.59 -0.00 1.42 -1.24 -0.96 -2.38 115.58 114.04 3k17 h ASN 279 Ca 0.26 -0.19 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 3k17 h ASN 279 Cb 0.11 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 3k17 h ASN 279 CO -0.03 0.79 -0.16 -0.09 -1.29 0.00 0.00 177.43 176.65 3k17 h ARG 280 N 0.53 0.32 0.14 6.67 2.43 -0.71 -2.79 114.38 120.98 3k17 h ARG 280 Ca 0.08 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3k17 h ARG 280 Cb 0.63 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3k17 h ARG 280 CO 0.04 0.49 -0.07 0.00 -1.51 0.00 0.00 179.97 178.92 3k17 h ARG 281 N 0.30 -0.18 -0.10 0.20 2.47 -0.93 -2.62 114.38 113.52 3k17 h ARG 281 Ca 0.06 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 3k17 h ARG 281 Cb 0.47 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3k17 h ARG 281 CO 0.03 0.27 0.16 -0.84 0.56 0.00 0.00 179.97 180.15 3k17 h ILE 282 N -0.79 0.33 0.07 2.04 3.07 -1.43 0.25 117.51 121.04 3k17 h ILE 282 Ca -0.02 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.13 3k17 h ILE 282 Cb 0.54 0.87 0.01 0.00 -0.27 0.00 0.00 36.82 37.97 3k17 h ILE 282 CO 0.03 0.00 -1.11 -0.07 -1.05 0.00 0.00 178.15 175.95 3k17 h LEU 283 N 0.00 0.66 -0.35 0.16 3.38 -1.47 0.39 115.31 118.08 3k17 h LEU 283 Ca 0.05 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 3k17 h LEU 283 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k17 h LEU 283 CO -0.00 1.41 -0.16 1.56 0.09 0.00 0.00 178.44 181.33 3k17 h GLN 284 N 0.23 0.73 -0.07 1.13 4.20 -0.44 -1.80 115.11 119.08 3k17 h GLN 284 Ca -0.13 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.27 3k17 h GLN 284 Cb 1.78 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 3k17 h GLN 284 CO 0.20 0.92 0.02 1.49 -0.67 0.00 0.00 178.83 180.79 3k17 h GLU 285 N 0.51 0.05 0.04 1.46 4.81 -0.63 0.19 114.58 121.01 3k17 h GLU 285 Ca 0.08 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3k17 h GLU 285 Cb 0.70 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3k17 h GLU 285 CO 0.05 0.03 -0.46 1.25 -0.73 0.00 0.00 179.01 179.16 3k17 h LEU 286 N 0.05 -1.38 -0.96 1.64 5.85 -0.76 -1.55 115.31 118.20 3k17 h LEU 286 Ca 0.03 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3k17 h LEU 286 Cb 0.02 0.53 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3k17 h LEU 286 CO -0.04 -0.49 0.62 1.23 -0.34 0.00 0.00 178.44 179.42 3k17 h GLY 287 N -0.64 1.40 0.00 3.75 0.00 -1.14 -3.03 103.07 103.41 3k17 h GLY 287 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3k17 h GLY 287 CO -0.31 0.40 0.00 2.41 0.00 0.00 0.00 176.54 179.04 3k17 n THR 288 N -4.48 0.00 0.21 4.70 -1.04 0.64 -0.33 114.28 113.99 3k17 n THR 288 Ca 0.13 1.20 0.00 0.00 -2.04 0.00 0.00 64.05 63.34 3k17 n THR 288 Cb 0.10 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 3k17 n THR 288 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3k17 n LYS 289 N -1.32 0.33 0.00 -2.82 2.85 -0.65 -0.68 118.16 115.87 3k17 n LYS 289 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3k17 n LYS 289 Cb 0.00 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 3k17 n LYS 289 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3k17 n ALA 290 N 1.07 0.03 -3.60 0.58 0.00 -0.94 -5.02 120.51 112.64 3k17 n ALA 290 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 3k17 n ALA 290 Cb 0.17 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.69 3k17 n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k17 n GLY 291 N 0.00 -0.54 3.33 0.00 0.00 0.15 -4.98 105.19 103.15 3k17 n GLY 291 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3k17 n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k17 s VAL 292 N -3.30 1.83 -0.72 1.61 1.01 0.56 -5.04 120.40 116.33 3k17 s VAL 292 Ca 0.58 -1.90 0.04 0.00 0.00 0.00 0.00 61.98 60.70 3k17 s VAL 292 Cb -0.26 -1.83 0.26 0.00 0.00 0.00 0.00 36.38 34.55 3k17 s VAL 292 CO 0.71 -0.29 0.89 -3.20 0.00 0.00 0.00 175.10 173.21 3k17 n ASN 293 N 0.34 4.29 0.11 3.32 5.15 -1.26 -4.16 115.26 123.05 3k17 n ASN 293 Ca -0.14 -3.44 -0.13 0.00 -0.60 0.00 0.00 54.58 50.27 3k17 n ASN 293 Cb 0.57 -0.79 -0.08 0.00 -0.53 0.00 0.00 39.78 38.96 3k17 n ASN 293 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3k17 h ILE 294 N 3.22 0.88 -3.23 -1.44 2.04 -1.91 -3.28 117.51 113.79 3k17 h ILE 294 Ca 0.20 -0.12 -0.69 0.00 1.00 0.00 0.00 64.86 65.25 3k17 h ILE 294 Cb 0.65 0.95 -0.19 0.00 -0.74 0.00 0.00 36.82 37.50 3k17 h ILE 294 CO 0.94 0.03 0.01 -0.70 0.00 0.00 0.00 178.15 178.43 3k17 s GLU 295 N -5.93 3.10 0.21 2.37 2.12 -1.26 0.19 118.70 119.50 3k17 s GLU 295 Ca -0.14 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.18 3k17 s GLU 295 Cb 0.05 -4.12 0.05 0.00 0.26 0.00 0.00 34.13 30.37 3k17 s GLU 295 CO 0.65 -1.23 0.19 0.25 -0.54 0.00 0.00 175.26 174.58 3k17 n THR 296 N 5.57 0.00 0.01 -1.70 -2.24 -1.26 -4.69 114.28 109.96 3k17 n THR 296 Ca -0.07 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3k17 n THR 296 Cb 0.45 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 3k17 n THR 296 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k17 h SER 297 N -1.21 -0.04 -1.01 3.42 0.02 -1.96 -1.01 113.55 111.77 3k17 h SER 297 Ca -0.07 -0.43 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3k17 h SER 297 Cb 0.22 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 3k17 h SER 297 CO 0.05 0.42 0.66 0.25 -1.14 0.00 0.00 176.83 177.07 3k17 h LEU 298 N -0.51 1.10 -0.38 5.07 5.85 -1.97 -1.07 115.31 123.42 3k17 h LEU 298 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3k17 h LEU 298 Cb 0.47 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3k17 h LEU 298 CO 0.01 0.76 0.13 -0.07 -0.34 0.00 0.00 178.44 178.92 3k17 h LEU 299 N 1.28 0.54 -0.62 2.25 3.38 -1.89 -0.10 115.31 120.15 3k17 h LEU 299 Ca 0.40 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.26 3k17 h LEU 299 Cb -0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3k17 h LEU 299 CO -0.12 0.59 0.27 0.50 0.09 0.00 0.00 178.44 179.77 3k17 h LYS 300 N 0.46 0.47 -0.44 1.13 3.64 -0.23 -0.40 116.57 121.20 3k17 h LYS 300 Ca 0.12 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3k17 h LYS 300 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3k17 h LYS 300 CO -0.01 0.31 -0.19 0.93 -2.27 0.00 0.00 179.45 178.23 3k17 h GLU 301 N 0.49 0.91 -0.72 1.90 5.08 -0.95 0.11 114.58 121.40 3k17 h GLU 301 Ca 0.30 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3k17 h GLU 301 Cb 0.33 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3k17 h GLU 301 CO -0.27 1.04 0.44 1.25 -1.00 0.00 0.00 179.01 180.47 3k17 h LEU 302 N 0.74 0.70 -0.19 1.33 6.46 -0.31 0.24 115.31 124.28 3k17 h LEU 302 Ca 0.10 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.75 3k17 h LEU 302 Cb 0.76 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 3k17 h LEU 302 CO 0.06 0.47 -0.36 0.00 -0.62 0.00 0.00 178.44 177.99 3k17 h ALA 303 N 1.33 0.29 -0.57 1.25 0.00 -0.92 -2.78 119.26 117.87 3k17 h ALA 303 Ca 0.30 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3k17 h ALA 303 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k17 h ALA 303 CO -0.14 0.36 0.15 -0.44 0.00 0.00 0.00 179.25 179.18 3k17 h ASP 304 N 0.23 0.85 0.73 0.00 3.32 -0.42 -2.18 116.42 118.95 3k17 h ASP 304 Ca 0.01 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3k17 h ASP 304 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3k17 h ASP 304 CO 0.08 0.86 0.00 0.77 -1.72 0.00 0.00 179.24 179.23 3k17 h SER 305 N 0.81 0.00 0.79 6.45 4.64 -0.57 -0.87 113.55 124.80 3k17 h SER 305 Ca 0.18 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.26 3k17 h SER 305 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3k17 h SER 305 CO -0.00 0.00 -1.30 0.00 -0.87 0.00 0.00 176.83 174.66 3k17 h ALA 306 N 2.07 0.55 0.13 5.18 0.00 -1.11 -3.35 119.26 122.72 3k17 h ALA 306 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 54.91 53.55 3k17 h ALA 306 Cb 0.37 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k17 h ALA 306 CO 0.00 1.37 -1.06 0.93 0.00 0.00 0.00 179.25 180.49 3k17 h GLU 307 N 0.00 0.27 -2.31 0.00 5.08 -0.95 -1.22 114.58 115.46 3k17 h GLU 307 Ca -0.13 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3k17 h GLU 307 Cb 1.86 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 3k17 h GLU 307 CO 0.10 1.22 0.15 0.09 -1.00 0.00 0.00 179.01 179.58 3k17 n ASN 308 N -4.05 0.05 0.00 1.42 3.02 -0.38 -3.65 115.26 111.68 3k17 n ASN 308 Ca -0.19 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3k17 n ASN 308 Cb 0.85 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3k17 n ASN 308 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k17 n GLY 310 N 2.30 0.00 0.00 7.41 0.00 -1.25 -5.10 105.19 108.56 3k17 n GLY 310 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k17 n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 311 N 2.49 1.39 3.31 -0.02 0.00 -0.48 -4.80 105.19 107.09 3k17 n GLY 311 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 3k17 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k17 s ALA 312 N -3.51 -0.97 0.28 4.61 0.00 -0.58 -4.03 121.76 117.57 3k17 s ALA 312 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 3k17 s ALA 312 Cb 0.00 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3k17 s ALA 312 CO 0.00 -0.45 0.61 0.20 0.00 0.00 0.00 175.76 176.12 3k17 s GLY 313 N -2.00 0.31 -0.21 0.00 0.00 -1.26 -0.24 107.32 103.92 3k17 s GLY 313 Ca -0.05 -0.66 -0.36 0.00 0.00 0.00 0.00 44.72 43.64 3k17 s GLY 313 CO -0.02 -0.39 1.35 -1.59 0.00 0.00 0.00 173.10 172.44 3k17 s LYS 314 N -3.78 0.12 0.58 2.90 -2.85 0.02 -4.80 119.74 111.93 3k17 s LYS 314 Ca 0.17 -0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.90 3k17 s LYS 314 Cb -0.03 0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.75 3k17 s LYS 314 CO 0.09 -0.05 1.22 -1.54 0.10 0.00 0.00 175.35 175.16 3k17 s SER 315 N -2.33 5.27 -0.47 0.03 1.04 -1.26 -0.39 113.70 115.59 3k17 s SER 315 Ca 0.12 2.41 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 3k17 s SER 315 Cb 0.01 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.66 3k17 s SER 315 CO -0.04 -1.54 0.28 -0.55 0.98 0.00 0.00 173.24 172.38 3k17 s SER 316 N -1.53 5.28 0.00 7.02 0.15 -0.82 -4.73 113.70 119.07 3k17 s SER 316 Ca 0.76 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 55.15 3k17 s SER 316 Cb -0.31 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3k17 s SER 316 CO 0.34 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3k17 n GLY 317 N 4.30 0.15 0.17 9.45 0.00 -1.26 -4.69 105.19 113.31 3k17 n GLY 317 Ca 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 3k17 n GLY 317 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k17 h SER 318 N 0.00 0.23 -1.92 1.61 4.64 -1.94 -3.46 113.55 112.71 3k17 h SER 318 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3k17 h SER 318 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3k17 h SER 318 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3k17 n GLY 319 N 0.16 -1.57 2.74 -0.77 0.00 -1.26 -4.75 105.19 99.73 3k17 n GLY 319 Ca -0.02 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 3k17 n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 320 N 0.00 -0.48 0.00 -0.02 0.00 0.50 -4.76 105.19 100.43 3k17 n GLY 320 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3k17 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 321 N -1.32 0.72 1.32 -0.02 0.00 -1.26 -4.30 105.19 100.34 3k17 n GLY 321 Ca -0.16 -2.16 0.17 0.00 0.00 0.00 0.00 46.02 43.87 3k17 n GLY 321 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k17 n ASP 322 N 1.22 -7.92 -3.98 1.61 8.00 -1.26 -4.83 116.55 109.39 3k17 n ASP 322 Ca 0.00 0.78 -0.40 0.00 0.71 0.00 0.00 54.79 55.88 3k17 n ASP 322 Cb 0.00 -4.17 -0.01 0.00 -0.02 0.00 0.00 41.12 36.92 3k17 n ASP 322 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k17 s GLY 324 N -0.92 1.19 0.13 0.00 0.00 0.20 -1.95 107.32 105.96 3k17 s GLY 324 Ca 0.55 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.82 3k17 s GLY 324 CO 0.56 -1.59 -0.11 -0.26 0.00 0.00 0.00 173.10 171.70 3k17 s ILE 325 N -2.95 1.17 0.04 0.90 -4.36 0.48 -1.11 121.20 115.37 3k17 s ILE 325 Ca 0.17 -1.88 -0.19 0.00 -0.26 0.00 0.00 60.65 58.49 3k17 s ILE 325 Cb -0.00 -1.65 0.04 0.00 1.25 0.00 0.00 42.46 42.09 3k17 s ILE 325 CO 0.03 -0.61 0.43 0.00 0.24 0.00 0.00 174.94 175.03 3k17 s ALA 326 N -2.80 -1.07 -0.12 2.27 0.00 -0.44 -0.80 121.76 118.80 3k17 s ALA 326 Ca 0.12 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.49 3k17 s ALA 326 Cb -0.01 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.45 3k17 s ALA 326 CO 0.01 -0.45 -0.20 -0.06 0.00 0.00 0.00 175.76 175.06 3k17 s PHE 327 N -2.36 2.41 0.03 0.00 0.08 0.66 -0.48 117.98 118.31 3k17 s PHE 327 Ca -0.06 -1.15 0.06 0.00 0.12 0.00 0.00 56.93 55.90 3k17 s PHE 327 Cb -0.01 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 3k17 s PHE 327 CO -0.01 -0.53 -0.16 -1.12 -0.10 0.00 0.00 175.22 173.29 3k17 s SER 328 N 0.79 3.93 0.35 1.36 0.01 0.88 -1.53 113.70 119.48 3k17 s SER 328 Ca -0.09 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.87 3k17 s SER 328 Cb -0.16 -0.69 0.74 0.00 0.21 0.00 0.00 66.02 66.12 3k17 s SER 328 CO 0.00 0.27 1.92 0.11 0.41 0.00 0.00 173.24 175.94 3k17 h LYS 329 N 4.61 0.75 -4.24 12.44 1.57 -1.88 -1.05 116.57 128.77 3k17 h LYS 329 Ca -0.48 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.12 3k17 h LYS 329 Cb 1.16 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.15 3k17 h LYS 329 CO 0.49 0.50 -0.61 0.95 -0.57 0.00 0.00 179.45 180.20 3k17 s THR 330 N -5.71 0.16 0.12 -0.16 -4.23 -1.26 -4.73 115.64 99.83 3k17 s THR 330 Ca -0.10 -1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 3k17 s THR 330 Cb 0.20 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3k17 s THR 330 CO 0.78 -0.71 1.68 0.11 -0.54 0.00 0.00 174.62 175.94 3k17 h LYS 331 N 2.96 -0.16 -0.53 3.99 1.57 -1.97 -0.73 116.57 121.70 3k17 h LYS 331 Ca -0.34 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3k17 h LYS 331 Cb 1.17 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 3k17 h LYS 331 CO 0.61 -0.11 0.05 0.93 -0.57 0.00 0.00 179.45 180.36 3k17 h GLU 332 N -0.17 0.16 -0.97 3.15 3.07 -1.98 0.43 114.58 118.27 3k17 h GLU 332 Ca 0.08 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.97 3k17 h GLU 332 Cb 0.28 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 3k17 h GLU 332 CO -0.19 0.11 0.63 -0.07 -1.40 0.00 0.00 179.01 178.08 3k17 h LEU 333 N 0.17 1.04 -0.58 1.33 3.38 -1.80 0.08 115.31 118.92 3k17 h LEU 333 Ca 0.27 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3k17 h LEU 333 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3k17 h LEU 333 CO -0.41 0.70 0.19 0.00 0.09 0.00 0.00 178.44 179.01 3k17 h ALA 334 N 1.41 0.77 0.13 1.53 0.00 0.69 -0.93 119.26 122.86 3k17 h ALA 334 Ca 0.39 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3k17 h ALA 334 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3k17 h ALA 334 CO -0.14 0.43 -0.41 0.93 0.00 0.00 0.00 179.25 180.06 3k17 h GLU 335 N 0.82 -0.63 -0.49 0.00 4.39 0.13 0.91 114.58 119.72 3k17 h GLU 335 Ca 0.19 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.00 3k17 h GLU 335 Cb 0.28 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 3k17 h GLU 335 CO -0.01 -0.42 0.16 0.87 -1.16 0.00 0.00 179.01 178.45 3k17 h LYS 336 N -0.65 0.31 -0.79 2.33 1.57 -0.88 -2.27 116.57 116.18 3k17 h LYS 336 Ca 0.02 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3k17 h LYS 336 Cb 0.68 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3k17 h LYS 336 CO -0.23 0.21 0.52 1.25 -0.57 0.00 0.00 179.45 180.63 3k17 h LEU 337 N 0.32 0.90 -0.12 2.94 5.85 -0.62 0.96 115.31 125.53 3k17 h LEU 337 Ca 0.23 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3k17 h LEU 337 Cb 0.26 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3k17 h LEU 337 CO -0.25 0.64 -0.12 0.58 -0.34 0.00 0.00 178.44 178.95 3k17 h VAL 338 N 1.06 0.66 -0.68 1.05 2.07 -0.25 0.26 116.25 120.42 3k17 h VAL 338 Ca 0.30 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.74 3k17 h VAL 338 Cb -0.10 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3k17 h VAL 338 CO -0.07 0.00 0.12 -1.13 0.02 0.00 0.00 177.57 176.51 3k17 h ASN 339 N -0.15 1.07 -1.00 0.57 -0.00 -1.24 0.50 115.58 115.32 3k17 h ASN 339 Ca 0.09 -0.26 0.15 0.00 -0.00 0.00 0.00 56.30 56.28 3k17 h ASN 339 Cb 0.27 -0.28 -0.09 0.00 -0.00 0.00 0.00 38.32 38.21 3k17 h ASN 339 CO -0.21 1.05 0.62 -0.08 -0.00 0.00 0.00 177.43 178.81 3k17 h GLU 340 N 1.04 0.85 0.17 6.67 4.22 0.28 -1.35 114.58 126.47 3k17 h GLU 340 Ca 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 3k17 h GLU 340 Cb 0.43 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3k17 h GLU 340 CO 0.01 0.57 -0.08 -1.49 -2.18 0.00 0.00 179.01 175.84 3k17 h TRP 341 N 0.88 -0.21 -1.28 0.92 6.55 0.18 -3.19 115.95 119.79 3k17 h TRP 341 Ca 0.53 -0.00 0.37 0.00 0.95 0.00 0.00 58.89 60.74 3k17 h TRP 341 Cb 0.68 0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 29.00 3k17 h TRP 341 CO -0.00 0.20 1.07 0.93 -1.05 0.00 0.00 178.44 179.59 3k17 h GLU 342 N -0.91 0.00 0.04 0.49 5.08 -0.31 1.28 114.58 120.26 3k17 h GLU 342 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 3k17 h GLU 342 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.78 3k17 h GLU 342 CO 0.04 0.00 -1.08 0.87 -1.00 0.00 0.00 179.01 177.83 3k17 h LYS 343 N 0.00 0.67 0.00 2.33 1.57 -1.30 -3.14 116.57 116.71 3k17 h LYS 343 Ca 0.61 -0.77 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3k17 h LYS 343 Cb 2.74 0.23 0.00 0.00 0.08 0.00 0.00 32.23 35.28 3k17 h LYS 343 CO -0.01 1.34 0.00 1.28 -0.57 0.00 0.00 179.45 181.49 3k17 n LEU 344 N -3.86 0.00 0.00 2.94 4.77 0.44 -4.83 117.00 116.45 3k17 n LEU 344 Ca -0.12 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3k17 n LEU 344 Cb 0.90 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3k17 n LEU 344 CO 0.56 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3k17 n GLY 345 N 0.19 0.40 3.72 -0.72 0.00 -0.84 -5.05 105.19 102.89 3k17 n GLY 345 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3k17 n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k17 s ILE 346 N -2.15 4.05 -0.42 -0.61 1.01 -1.09 -4.96 121.20 117.03 3k17 s ILE 346 Ca 0.00 1.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 3k17 s ILE 346 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3k17 s ILE 346 CO 0.00 0.15 0.69 -0.75 0.00 0.00 0.00 174.94 175.03 3k17 s LYS 347 N 0.75 3.41 0.59 2.79 2.20 -1.00 -3.34 119.74 125.14 3k17 s LYS 347 Ca 0.56 -0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.80 3k17 s LYS 347 Cb -0.29 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 3k17 s LYS 347 CO 0.30 -0.99 1.23 -1.58 -0.36 0.00 0.00 175.35 173.96 3k17 s HIS 348 N 2.97 2.37 -0.41 4.03 5.65 -1.26 -0.54 115.29 128.10 3k17 s HIS 348 Ca 0.26 1.50 0.01 0.00 0.25 0.00 0.00 55.06 57.08 3k17 s HIS 348 Cb -0.13 -3.54 0.14 0.00 -1.18 0.00 0.00 32.58 27.87 3k17 s HIS 348 CO 0.19 -2.33 0.23 -0.51 -0.65 0.00 0.00 174.74 171.67 3k17 s LEU 349 N -3.98 2.12 -0.29 8.88 1.43 0.10 -4.86 118.68 122.09 3k17 s LEU 349 Ca 0.77 -2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 51.10 3k17 s LEU 349 Cb -0.32 -0.82 -0.12 0.00 0.03 0.00 0.00 46.19 44.96 3k17 s LEU 349 CO 0.35 -0.28 1.09 -2.65 0.23 0.00 0.00 176.35 175.10 3k17 n PRO 350 N 3.68 0.00 -3.79 1.29 -0.02 -1.26 -4.40 135.00 130.50 3k17 n PRO 350 Ca 0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 3k17 n PRO 350 Cb 0.36 -0.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.90 3k17 n PRO 350 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k17 s PHE 351 N 2.60 3.56 -0.30 6.00 5.36 -1.26 -4.83 117.98 129.10 3k17 s PHE 351 Ca 0.66 0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 57.06 3k17 s PHE 351 Cb -0.88 -1.95 0.15 0.00 -0.34 0.00 0.00 43.02 40.00 3k17 s PHE 351 CO 0.44 0.59 0.67 -1.01 -1.46 0.00 0.00 175.22 174.46 3k17 s HIS 352 N -1.36 -1.36 -0.42 10.12 3.76 -1.26 -5.00 115.29 119.77 3k17 s HIS 352 Ca 0.30 1.98 -0.45 0.00 -0.15 0.00 0.00 55.06 56.73 3k17 s HIS 352 Cb -0.13 0.68 -0.20 0.00 1.11 0.00 0.00 32.58 34.04 3k17 s HIS 352 CO 0.19 -0.70 1.55 2.41 -0.85 0.00 0.00 174.74 177.33 3k17 n THR 353 N 5.41 0.03 -2.15 1.30 -1.04 -1.26 -1.19 114.28 115.37 3k17 n THR 353 Ca -0.08 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.57 3k17 n THR 353 Cb 0.50 -0.51 0.01 0.00 -1.82 0.00 0.00 70.33 68.51 3k17 n THR 353 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k17 s GLY 354 N 2.69 2.71 -0.01 3.41 0.00 -0.39 -4.66 107.32 111.06 3k17 s GLY 354 Ca 1.03 0.94 0.01 0.00 0.00 0.00 0.00 44.72 46.69 3k17 s GLY 354 CO 0.77 1.33 -0.01 0.50 0.00 0.00 0.00 173.10 175.70 3k17 s ARG 355 N -3.18 0.19 0.05 2.90 1.81 -1.26 -0.77 118.95 118.68 3k17 s ARG 355 Ca 0.73 0.00 -0.31 0.00 -1.72 0.00 0.00 55.73 54.44 3k17 s ARG 355 Cb -0.28 -0.28 -0.06 0.00 -0.45 0.00 0.00 34.95 33.87 3k17 s ARG 355 CO 0.31 -0.04 1.41 0.08 -0.68 0.00 0.00 175.30 176.38 3k17 s VAL 356 N 0.43 3.54 -0.24 3.52 1.01 -1.26 -4.59 120.40 122.82 3k17 s VAL 356 Ca -0.04 1.01 0.01 0.00 0.00 0.00 0.00 61.98 62.97 3k17 s VAL 356 Cb -0.06 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3k17 s VAL 356 CO -0.01 0.03 -0.06 -1.10 0.00 0.00 0.00 175.10 173.96 3k17 s GLN 357 N 1.93 1.72 -0.23 2.72 -0.21 -0.77 -5.00 119.66 119.82 3k17 s GLN 357 Ca 0.65 -1.04 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 3k17 s GLN 357 Cb -0.34 -2.63 0.01 0.00 1.00 0.00 0.00 33.01 31.05 3k17 s GLN 357 CO 0.28 -0.59 -0.06 0.42 -2.12 0.00 0.00 175.29 173.22 3k17 s ILE 358 N 1.35 3.10 0.07 1.08 1.01 -1.26 -0.06 121.20 126.49 3k17 s ILE 358 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3k17 s ILE 358 Cb -0.19 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3k17 s ILE 358 CO -0.06 0.33 -0.14 -0.89 0.00 0.00 0.00 174.94 174.19 3k17 s THR 359 N 1.41 1.09 -0.18 2.92 2.01 0.83 -4.99 115.64 118.73 3k17 s THR 359 Ca 0.04 -1.30 0.16 0.00 0.31 0.00 0.00 61.69 60.90 3k17 s THR 359 Cb -0.15 -1.06 0.48 0.00 0.01 0.00 0.00 72.50 71.78 3k17 s THR 359 CO -0.04 -0.23 1.37 -0.62 -0.69 0.00 0.00 174.62 174.40 3k17 n GLU 360 N 1.28 2.43 0.00 4.92 1.02 -1.26 0.60 120.64 129.62 3k17 n GLU 360 Ca -0.21 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 3k17 n GLU 360 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3k17 n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72