#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k17 s LYS 8 N 0.00 1.39 -0.22 1.20 1.02 -1.19 -4.69 119.74 117.24 3k17 s LYS 8 Ca 0.00 -1.66 -0.05 0.00 0.02 0.00 0.00 55.97 54.28 3k17 s LYS 8 Cb 0.00 -1.00 -0.02 0.00 -0.52 0.00 0.00 37.83 36.29 3k17 s LYS 8 CO 0.00 0.07 0.00 -1.17 -0.92 0.00 0.00 175.35 173.34 3k17 s LEU 9 N -3.35 3.14 -0.18 3.17 2.96 0.56 -3.11 118.68 121.87 3k17 s LEU 9 Ca 0.25 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3k17 s LEU 9 Cb 0.02 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3k17 s LEU 9 CO 0.08 -0.00 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.47 3k17 s GLN 10 N 1.41 3.46 -0.20 1.98 0.74 0.20 -0.14 119.66 127.11 3k17 s GLN 10 Ca 0.05 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.86 3k17 s GLN 10 Cb -0.15 -2.91 0.03 0.00 1.10 0.00 0.00 33.01 31.08 3k17 s GLN 10 CO 0.00 0.01 -0.17 0.08 -0.55 0.00 0.00 175.29 174.66 3k17 s VAL 11 N 0.93 2.17 -0.28 1.34 1.01 0.24 -1.64 120.40 124.17 3k17 s VAL 11 Ca -0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 3k17 s VAL 11 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3k17 s VAL 11 CO 0.01 0.41 0.05 -0.54 0.00 0.00 0.00 175.10 175.02 3k17 s LYS 12 N 1.26 3.16 -0.20 2.72 1.02 0.11 -0.42 119.74 127.40 3k17 s LYS 12 Ca 0.02 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 3k17 s LYS 12 Cb -0.15 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 3k17 s LYS 12 CO -0.11 -0.38 -0.03 0.42 -0.92 0.00 0.00 175.35 174.33 3k17 s ILE 13 N 1.49 3.64 0.51 2.17 -1.09 -0.41 -1.67 121.20 125.84 3k17 s ILE 13 Ca 0.03 -0.42 -0.20 0.00 -2.23 0.00 0.00 60.65 57.84 3k17 s ILE 13 Cb -0.17 -2.64 -0.07 0.00 -1.58 0.00 0.00 42.46 38.01 3k17 s ILE 13 CO 0.01 0.44 1.07 -2.16 -1.23 0.00 0.00 174.94 173.07 3k17 s PRO 14 N 1.09 3.62 1.08 2.79 0.04 -1.26 -1.14 135.00 141.22 3k17 s PRO 14 Ca 0.02 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 3k17 s PRO 14 Cb -0.15 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.57 3k17 s PRO 14 CO 0.00 -0.59 1.18 0.20 0.04 0.00 0.00 177.00 177.84 3k17 s GLY 15 N -2.01 1.65 0.13 0.56 0.00 0.66 -4.55 107.32 103.76 3k17 s GLY 15 Ca 0.68 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.48 3k17 s GLY 15 CO 0.24 -0.16 -0.09 -1.59 0.00 0.00 0.00 173.10 171.50 3k17 s LYS 16 N -5.53 0.98 -0.04 2.90 0.00 0.98 -0.63 119.74 118.39 3k17 s LYS 16 Ca 0.71 -1.40 -0.01 0.00 0.00 0.00 0.00 55.97 55.26 3k17 s LYS 16 Cb -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 37.83 37.30 3k17 s LYS 16 CO 0.55 0.04 0.08 -0.51 0.00 0.00 0.00 175.35 175.51 3k17 s LEU 17 N -3.11 0.68 0.21 2.77 1.43 -0.24 -4.12 118.68 116.31 3k17 s LEU 17 Ca 0.15 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3k17 s LEU 17 Cb 0.03 0.06 -0.08 0.00 0.03 0.00 0.00 46.19 46.23 3k17 s LEU 17 CO -0.01 -0.17 1.19 -0.31 0.23 0.00 0.00 176.35 177.28 3k17 s TYR 18 N 1.44 3.42 -0.18 0.29 2.02 -1.26 -1.81 117.35 121.27 3k17 s TYR 18 Ca -0.05 1.46 0.06 0.00 -0.37 0.00 0.00 57.07 58.17 3k17 s TYR 18 Cb -0.12 -3.43 -0.15 0.00 -0.40 0.00 0.00 41.96 37.86 3k17 s TYR 18 CO -0.04 -1.17 -0.09 0.28 -1.57 0.00 0.00 175.55 172.97 3k17 n VAL 19 N 2.20 1.08 -3.51 0.71 0.31 0.20 -4.38 118.33 114.94 3k17 n VAL 19 Ca 0.03 -0.51 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 3k17 n VAL 19 Cb 0.44 -0.96 -0.04 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.38 -1.38 0.00 3.52 0.00 -1.01 -4.96 121.76 115.56 3k17 s ALA 20 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3k17 s ALA 20 Cb 0.06 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.85 3k17 s ALA 20 CO 0.51 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3k17 n GLY 21 N -0.09 0.70 3.71 0.00 0.00 -1.26 -0.40 105.19 107.85 3k17 n GLY 21 Ca -0.17 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.59 0.84 0.00 1.61 4.71 -1.26 -1.91 120.64 122.04 3k17 n GLU 22 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 3k17 n GLU 22 Cb 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 31.44 27.93 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 -2.31 0.00 -0.12 -0.32 4.01 -1.26 -4.40 117.16 112.76 3k17 n TYR 23 Ca 0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.85 3k17 n TYR 23 Cb 0.49 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.10 0.00 -0.72 0.00 -1.92 -2.39 119.26 115.33 3k17 h ALA 24 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3k17 h ALA 24 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3k17 h ALA 24 CO 0.00 0.57 0.00 -0.24 0.00 0.00 0.00 179.25 179.58 3k17 h VAL 25 N 0.76 0.00 -0.26 0.00 3.04 -1.59 -0.86 116.25 117.35 3k17 h VAL 25 Ca 0.15 -0.04 0.02 0.00 -1.01 0.00 0.00 66.70 65.82 3k17 h VAL 25 Cb 0.43 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3k17 h VAL 25 CO 0.02 0.00 0.17 0.58 -1.01 0.00 0.00 177.57 177.33 3k17 h VAL 26 N 0.00 1.01 -3.71 1.51 2.07 -1.72 -3.43 116.25 111.99 3k17 h VAL 26 Ca 0.00 -0.09 -0.50 0.00 0.82 0.00 0.00 66.70 66.94 3k17 h VAL 26 Cb 0.05 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3k17 h VAL 26 CO 0.00 0.05 0.36 -1.61 0.02 0.00 0.00 177.57 176.38 3k17 s GLU 27 N -5.26 4.82 0.30 1.57 0.41 -0.33 -4.72 118.70 115.48 3k17 s GLU 27 Ca -0.07 1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 55.69 3k17 s GLU 27 Cb 0.18 -3.30 -0.12 0.00 -1.78 0.00 0.00 34.13 29.10 3k17 s GLU 27 CO 0.71 0.44 1.48 0.43 -0.49 0.00 0.00 175.26 177.83 3k17 n SER 28 N 1.80 3.38 0.00 -0.19 7.64 -1.26 -1.81 113.62 123.18 3k17 n SER 28 Ca -0.01 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3k17 n SER 28 Cb 0.47 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 1.69 0.81 3.95 0.23 0.00 0.12 -4.97 105.19 107.03 3k17 n GLY 29 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.25 3.48 0.14 1.61 4.02 -0.75 -4.78 115.29 115.76 3k17 s HIS 30 Ca 0.00 0.12 0.08 0.00 1.02 0.00 0.00 55.06 56.28 3k17 s HIS 30 Cb 0.00 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.58 29.85 3k17 s HIS 30 CO 0.00 0.47 -0.08 0.99 1.02 0.00 0.00 174.74 177.14 3k17 s THR 31 N -1.83 3.37 0.09 1.30 2.01 -1.26 -1.12 115.64 118.20 3k17 s THR 31 Ca 0.35 -1.43 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 3k17 s THR 31 Cb -0.11 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 3k17 s THR 31 CO 0.29 -0.01 0.10 0.00 -0.69 0.00 0.00 174.62 174.32 3k17 s ALA 32 N -1.47 0.26 -0.09 7.40 0.00 0.18 -4.50 121.76 123.54 3k17 s ALA 32 Ca 0.24 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3k17 s ALA 32 Cb -0.10 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 3k17 s ALA 32 CO 0.15 -0.48 -0.19 0.42 0.00 0.00 0.00 175.76 175.67 3k17 s ILE 33 N -3.93 2.57 0.09 0.00 -1.09 0.47 -0.24 121.20 119.07 3k17 s ILE 33 Ca 0.11 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 3k17 s ILE 33 Cb 0.06 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 3k17 s ILE 33 CO -0.07 0.56 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.40 3k17 s LEU 34 N -0.01 2.40 0.00 2.97 1.02 -0.31 0.61 118.68 125.36 3k17 s LEU 34 Ca -0.06 -1.04 0.01 0.00 0.02 0.00 0.00 54.13 53.07 3k17 s LEU 34 Cb -0.15 0.05 -0.01 0.00 0.02 0.00 0.00 46.19 46.11 3k17 s LEU 34 CO 0.05 -0.54 -0.04 0.28 0.02 0.00 0.00 176.35 176.11 3k17 s THR 35 N -3.76 0.32 0.45 5.49 -1.32 -0.75 -0.94 115.64 115.12 3k17 s THR 35 Ca 0.12 -0.32 -0.10 0.00 -1.21 0.00 0.00 61.69 60.19 3k17 s THR 35 Cb 0.06 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 70.70 3k17 s THR 35 CO -0.05 -0.01 0.81 0.00 -2.21 0.00 0.00 174.62 173.16 3k17 s ALA 36 N -0.32 3.32 0.26 11.08 0.00 -0.22 -1.07 121.76 134.81 3k17 s ALA 36 Ca -0.01 -0.24 0.12 0.00 0.00 0.00 0.00 51.96 51.83 3k17 s ALA 36 Cb -0.03 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3k17 s ALA 36 CO -0.00 -0.16 -0.18 0.14 0.00 0.00 0.00 175.76 175.56 3k17 s VAL 37 N -2.54 2.58 0.00 0.00 -7.23 0.20 -1.29 120.40 112.12 3k17 s VAL 37 Ca 0.51 -2.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 3k17 s VAL 37 Cb -0.10 -2.34 -0.13 0.00 0.56 0.00 0.00 36.38 34.37 3k17 s VAL 37 CO 0.36 -0.34 2.70 -0.46 -0.31 0.00 0.00 175.10 177.05 3k17 n ASN 38 N -0.48 5.08 -3.93 4.85 6.94 0.02 -3.46 115.26 124.27 3k17 n ASN 38 Ca -0.07 -2.39 -0.23 0.00 -0.02 0.00 0.00 54.58 51.87 3k17 n ASN 38 Cb 0.59 -1.22 -0.17 0.00 -2.36 0.00 0.00 39.78 36.62 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 0.58 1.23 0.33 -3.83 0.52 -1.26 -4.97 118.95 111.55 3k17 s ARG 39 Ca 0.32 -0.22 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 3k17 s ARG 39 Cb 0.15 -1.17 -0.06 0.00 0.52 0.00 0.00 34.95 34.39 3k17 s ARG 39 CO 0.00 -0.09 -0.06 0.71 0.02 0.00 0.00 175.30 175.87 3k17 s TYR 40 N 1.05 2.24 -0.20 -0.53 2.02 -1.26 -0.24 117.35 120.42 3k17 s TYR 40 Ca -0.08 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 55.95 3k17 s TYR 40 Cb -0.14 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 3k17 s TYR 40 CO -0.00 0.44 0.03 0.42 -1.57 0.00 0.00 175.55 174.87 3k17 s ILE 41 N -2.79 4.32 -0.25 2.71 -1.09 -0.29 -1.13 121.20 122.68 3k17 s ILE 41 Ca 0.32 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 3k17 s ILE 41 Cb 0.04 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 3k17 s ILE 41 CO 0.15 0.42 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.36 3k17 s THR 42 N 0.86 3.19 -0.24 2.92 2.01 0.36 -1.29 115.64 123.45 3k17 s THR 42 Ca 0.02 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 3k17 s THR 42 Cb -0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 3k17 s THR 42 CO 0.02 0.23 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 3k17 s LEU 43 N 1.39 3.12 -0.26 4.42 0.20 0.44 -0.44 118.68 127.55 3k17 s LEU 43 Ca 0.02 -0.43 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 3k17 s LEU 43 Cb -0.16 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3k17 s LEU 43 CO -0.03 -0.05 0.04 -0.89 -0.29 0.00 0.00 176.35 175.13 3k17 s THR 44 N 1.50 3.92 -0.06 3.68 2.01 0.06 -0.59 115.64 126.15 3k17 s THR 44 Ca 0.05 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3k17 s THR 44 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3k17 s THR 44 CO -0.02 0.27 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.93 3k17 s LEU 45 N 1.53 3.33 0.11 4.42 0.20 0.80 -1.32 118.68 127.76 3k17 s LEU 45 Ca 0.05 0.02 -0.14 0.00 0.69 0.00 0.00 54.13 54.75 3k17 s LEU 45 Cb -0.16 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 43.85 3k17 s LEU 45 CO 0.01 0.35 0.33 -1.83 -0.29 0.00 0.00 176.35 174.92 3k17 s GLU 46 N -0.98 0.99 0.50 1.98 -1.05 -0.20 -0.32 118.70 119.62 3k17 s GLU 46 Ca 0.14 -0.79 -0.20 0.00 -0.15 0.00 0.00 54.97 53.96 3k17 s GLU 46 Cb -0.11 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 3k17 s GLU 46 CO 0.03 -0.37 1.08 -0.51 0.95 0.00 0.00 175.26 176.45 3k17 s ASP 47 N -2.82 6.09 0.31 0.83 1.01 -1.26 0.25 116.67 121.08 3k17 s ASP 47 Ca 0.04 2.06 -0.11 0.00 0.71 0.00 0.00 52.55 55.25 3k17 s ASP 47 Cb 0.03 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.40 3k17 s ASP 47 CO -0.12 -0.96 0.57 -0.94 0.21 0.00 0.00 175.17 173.93 3k17 s SER 48 N -1.83 0.24 0.00 0.27 1.04 -1.05 -4.64 113.70 107.73 3k17 s SER 48 Ca 0.69 -1.13 -0.22 0.00 0.48 0.00 0.00 55.95 55.77 3k17 s SER 48 Cb -0.20 0.68 -0.19 0.00 0.10 0.00 0.00 66.02 66.41 3k17 s SER 48 CO 0.24 -1.33 1.21 -0.33 0.98 0.00 0.00 173.24 174.01 3k17 h GLU 49 N 2.13 0.29 -6.03 4.02 4.39 -1.96 -3.41 114.58 114.01 3k17 h GLU 49 Ca -0.28 -0.21 -0.58 0.00 0.34 0.00 0.00 59.36 58.64 3k17 h GLU 49 Cb 1.25 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.79 3k17 h GLU 49 CO 0.37 0.82 -0.74 1.03 -1.16 0.00 0.00 179.01 179.33 3k17 s ARG 50 N -3.82 1.63 0.37 2.33 1.81 -1.26 -4.78 118.95 115.23 3k17 s ARG 50 Ca -0.15 -1.76 -0.26 0.00 -1.72 0.00 0.00 55.73 51.84 3k17 s ARG 50 Cb 0.03 -1.62 -0.09 0.00 -0.45 0.00 0.00 34.95 32.83 3k17 s ARG 50 CO 0.75 0.27 1.19 -0.80 -0.68 0.00 0.00 175.30 176.03 3k17 s ASN 51 N -3.49 6.67 -0.10 0.23 0.01 -1.26 -4.25 114.94 112.77 3k17 s ASN 51 Ca 0.29 2.40 -0.07 0.00 -0.71 0.00 0.00 52.86 54.78 3k17 s ASN 51 Cb -0.03 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.04 3k17 s ASN 51 CO 0.14 -0.57 0.24 -1.61 -1.51 0.00 0.00 177.10 173.78 3k17 s GLU 52 N -2.08 0.24 -0.10 -0.60 2.02 -0.54 -4.18 118.70 113.46 3k17 s GLU 52 Ca 0.54 0.42 -0.00 0.00 0.02 0.00 0.00 54.97 55.94 3k17 s GLU 52 Cb -0.33 0.01 0.02 0.00 0.10 0.00 0.00 34.13 33.94 3k17 s GLU 52 CO 0.42 -0.09 -0.07 -1.17 0.02 0.00 0.00 175.26 174.36 3k17 s LEU 53 N 0.66 1.13 -0.09 1.80 2.96 -0.69 -4.34 118.68 120.11 3k17 s LEU 53 Ca -0.04 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3k17 s LEU 53 Cb -0.06 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 3k17 s LEU 53 CO -0.04 -0.12 -0.14 0.26 -1.32 0.00 0.00 176.35 174.99 3k17 s TRP 54 N 1.67 2.74 0.13 5.38 0.52 -1.26 -2.13 118.94 125.99 3k17 s TRP 54 Ca 0.04 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.79 3k17 s TRP 54 Cb -0.13 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 3k17 s TRP 54 CO -0.07 -0.05 -0.19 0.96 0.02 0.00 0.00 176.95 177.62 3k17 s ILE 55 N -0.14 1.71 0.01 2.03 -4.36 -1.26 -1.16 121.20 118.03 3k17 s ILE 55 Ca -0.01 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3k17 s ILE 55 Cb -0.14 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.91 3k17 s ILE 55 CO 0.03 -0.20 0.11 -2.65 0.24 0.00 0.00 174.94 172.47 3k17 n PRO 56 N 0.71 -0.02 -0.68 0.37 -0.02 -1.20 -2.35 135.00 131.81 3k17 n PRO 56 Ca -0.17 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3k17 n PRO 56 Cb 0.55 -0.15 0.37 0.00 -0.02 0.00 0.00 33.50 34.25 3k17 n PRO 56 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k17 n HIS 57 N -3.17 1.62 -4.04 6.00 8.25 -1.26 -4.85 115.22 117.76 3k17 n HIS 57 Ca 0.00 -0.64 -0.33 0.00 -0.26 0.00 0.00 57.72 56.48 3k17 n HIS 57 Cb 0.01 -0.31 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 3k17 n HIS 57 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3k17 s TYR 58 N -2.08 3.01 -1.38 4.41 2.02 -0.99 -5.00 117.35 117.34 3k17 s TYR 58 Ca 0.52 -1.75 0.24 0.00 -0.37 0.00 0.00 57.07 55.71 3k17 s TYR 58 Cb 0.35 -1.98 1.19 0.00 -0.40 0.00 0.00 41.96 41.12 3k17 s TYR 58 CO 0.22 -0.79 1.80 0.39 -1.57 0.00 0.00 175.55 175.60 3k17 n GLU 59 N 4.60 0.30 -4.85 -0.62 -0.58 -1.26 -4.44 120.64 113.79 3k17 n GLU 59 Ca -0.17 0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.35 3k17 n GLU 59 Cb 0.47 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 29.67 3k17 n GLU 59 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3k17 s ASN 60 N -2.62 2.40 0.87 1.62 3.04 -1.26 -5.13 114.94 113.86 3k17 s ASN 60 Ca 0.22 -0.42 -0.13 0.00 0.04 0.00 0.00 52.86 52.56 3k17 s ASN 60 Cb 0.16 -1.10 0.13 0.00 -1.54 0.00 0.00 41.25 38.90 3k17 s ASN 60 CO 0.37 0.09 1.23 -2.16 -3.04 0.00 0.00 177.10 173.59 3k17 s PRO 61 N 0.55 1.37 0.21 0.43 0.04 -1.26 -4.91 135.00 131.43 3k17 s PRO 61 Ca -0.16 -0.20 0.08 0.00 0.04 0.00 0.00 61.00 60.77 3k17 s PRO 61 Cb -0.17 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3k17 s PRO 61 CO 0.06 -1.94 0.00 0.14 0.04 0.00 0.00 177.00 175.30 3k17 s VAL 62 N -3.68 3.63 0.16 -0.36 -7.23 -0.90 -4.89 120.40 107.12 3k17 s VAL 62 Ca 0.67 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 3k17 s VAL 62 Cb -0.07 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 3k17 s VAL 62 CO 0.50 -0.21 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.44 3k17 s SER 63 N -3.22 1.85 0.09 4.85 0.15 -1.26 -1.71 113.70 114.45 3k17 s SER 63 Ca 0.29 -1.04 -0.21 0.00 0.70 0.00 0.00 55.95 55.68 3k17 s SER 63 Cb -0.08 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 3k17 s SER 63 CO 0.19 -0.35 0.52 -1.66 1.20 0.00 0.00 173.24 173.14 3k17 s TRP 64 N -3.32 -0.41 0.32 3.44 -2.14 -1.26 -4.98 118.94 110.59 3k17 s TRP 64 Ca 0.19 0.31 -0.29 0.00 2.66 0.00 0.00 56.10 58.97 3k17 s TRP 64 Cb 0.03 0.38 -0.13 0.00 -3.10 0.00 0.00 33.47 30.65 3k17 s TRP 64 CO 0.02 -0.71 1.28 -0.35 -2.66 0.00 0.00 176.95 174.53 3k17 n PRO 65 N 0.05 2.03 -1.62 3.25 -0.04 -1.26 -4.34 135.00 133.06 3k17 n PRO 65 Ca -0.17 0.71 -0.45 0.00 -0.04 0.00 0.00 63.50 63.55 3k17 n PRO 65 Cb 0.62 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3k17 n PRO 65 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3k17 n ILE 66 N 0.61 0.53 -0.99 0.52 5.41 -1.26 0.90 119.36 125.07 3k17 n ILE 66 Ca 0.06 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3k17 n ILE 66 Cb 0.35 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.04 3k17 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k17 n GLY 67 N 5.12 0.85 1.72 7.39 0.00 -1.26 -5.01 105.19 114.00 3k17 n GLY 67 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.26 1.06 3.82 -0.02 0.00 0.26 -5.00 105.19 103.06 3k17 n GLY 68 Ca 0.00 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.46 4.13 -0.34 1.61 2.12 -1.26 -4.83 118.70 116.67 3k17 s GLU 69 Ca 0.29 0.68 -0.08 0.00 0.36 0.00 0.00 54.97 56.21 3k17 s GLU 69 Cb -0.02 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.36 3k17 s GLU 69 CO 0.19 0.52 0.14 -1.17 -0.54 0.00 0.00 175.26 174.40 3k17 s LEU 70 N -1.63 4.34 -0.45 2.70 2.96 -1.26 -4.52 118.68 120.83 3k17 s LEU 70 Ca 0.35 -0.97 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3k17 s LEU 70 Cb -0.17 -1.93 0.27 0.00 0.50 0.00 0.00 46.19 44.86 3k17 s LEU 70 CO 0.20 -0.31 0.62 2.29 -1.32 0.00 0.00 176.35 177.82 3k17 n LYS 71 N 4.89 1.24 -1.21 1.98 2.85 -1.26 -4.82 118.16 121.84 3k17 n LYS 71 Ca -0.13 -3.62 -0.30 0.00 -1.05 0.00 0.00 58.31 53.22 3k17 n LYS 71 Cb 0.46 -1.54 0.14 0.00 -0.65 0.00 0.00 35.03 33.43 3k17 n LYS 71 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3k17 s PRO 72 N -1.74 1.28 -0.14 -1.58 0.02 -1.26 -5.01 135.00 126.57 3k17 s PRO 72 Ca 0.37 0.83 -0.19 0.00 0.02 0.00 0.00 61.00 62.02 3k17 s PRO 72 Cb 0.20 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.74 3k17 s PRO 72 CO -0.09 -2.23 0.43 -0.44 -0.33 0.00 0.00 177.00 174.35 3k17 h ASP 73 N -1.54 0.00 -1.71 2.53 3.32 -2.01 -3.48 116.42 113.53 3k17 h ASP 73 Ca -0.49 -0.61 -0.64 0.00 0.02 0.00 0.00 57.03 55.30 3k17 h ASP 73 Cb 1.28 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.94 3k17 h ASP 73 CO 0.55 0.94 -0.16 0.61 -1.72 0.00 0.00 179.24 179.45 3k17 n GLY 74 N 1.63 -0.90 0.23 2.75 0.00 -1.26 -4.86 105.19 102.78 3k17 n GLY 74 Ca -0.11 0.37 0.16 0.00 0.00 0.00 0.00 46.02 46.43 3k17 n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k17 h GLU 75 N 1.70 0.00 0.00 1.61 4.81 -2.03 -2.73 114.58 117.95 3k17 h GLU 75 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3k17 h GLU 75 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 3k17 h GLU 75 CO 0.60 0.00 0.00 1.12 -0.73 0.00 0.00 179.01 180.00 3k17 h HIS 76 N 0.00 0.00 0.00 0.92 2.07 -1.99 -2.98 115.15 113.17 3k17 h HIS 76 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k17 h HIS 76 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3k17 h HIS 76 CO 0.00 0.00 -1.12 0.91 -3.07 0.00 0.00 177.93 174.65 3k17 n TRP 77 N -2.32 0.21 -0.13 6.12 7.02 -1.03 -4.67 117.44 122.65 3k17 n TRP 77 Ca 0.03 0.06 -0.06 0.00 -1.02 0.00 0.00 57.50 56.51 3k17 n TRP 77 Cb 0.28 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.79 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 0.31 -0.14 -0.99 2.02 -1.64 0.13 112.91 112.60 3k17 h THR 78 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3k17 h THR 78 Cb 0.73 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3k17 h THR 78 CO 0.00 0.00 0.05 -0.26 0.37 0.00 0.00 175.52 175.68 3k17 h PHE 79 N -0.18 0.23 -0.39 3.16 0.04 -1.83 -1.66 116.94 116.31 3k17 h PHE 79 Ca 0.19 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 3k17 h PHE 79 Cb 0.49 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3k17 h PHE 79 CO -0.50 0.34 -0.29 1.79 -0.60 0.00 0.00 178.31 179.05 3k17 h THR 80 N 0.05 1.28 -0.64 -1.55 1.35 -1.84 -2.72 112.91 108.85 3k17 h THR 80 Ca 0.05 -1.44 -0.03 0.00 -0.55 0.00 0.00 66.41 64.44 3k17 h THR 80 Cb 0.22 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 3k17 h THR 80 CO -0.00 0.48 0.27 0.00 -0.25 0.00 0.00 175.52 176.01 3k17 h ALA 81 N 0.96 0.82 -0.87 6.62 0.00 -0.70 -1.30 119.26 124.80 3k17 h ALA 81 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k17 h ALA 81 Cb 0.83 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3k17 h ALA 81 CO 0.07 0.43 0.45 1.49 0.00 0.00 0.00 179.25 181.69 3k17 h GLU 82 N 0.89 1.23 -0.57 0.00 4.57 -1.22 -0.04 114.58 119.44 3k17 h GLU 82 Ca 0.21 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3k17 h GLU 82 Cb 0.18 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3k17 h GLU 82 CO -0.02 0.92 0.11 0.00 -1.18 0.00 0.00 179.01 178.83 3k17 h ALA 83 N 1.25 0.75 -0.43 2.92 0.00 -1.13 0.34 119.26 122.96 3k17 h ALA 83 Ca 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k17 h ALA 83 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3k17 h ALA 83 CO -0.04 0.48 0.15 0.82 0.00 0.00 0.00 179.25 180.65 3k17 h ILE 84 N 0.82 1.21 -0.58 0.00 2.04 -0.85 -0.74 117.51 119.42 3k17 h ILE 84 Ca 0.17 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3k17 h ILE 84 Cb 0.39 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3k17 h ILE 84 CO 0.01 0.25 0.25 0.78 0.00 0.00 0.00 178.15 179.44 3k17 h ASN 85 N 0.55 0.78 -0.25 1.72 -0.26 -0.72 0.10 115.58 117.50 3k17 h ASN 85 Ca 0.14 -0.15 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 3k17 h ASN 85 Cb 0.24 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 3k17 h ASN 85 CO -0.01 0.72 -0.26 0.40 -1.06 0.00 0.00 177.43 177.22 3k17 h ILE 86 N 0.79 1.28 -0.26 2.81 2.04 -0.82 -1.69 117.51 121.66 3k17 h ILE 86 Ca 0.19 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 3k17 h ILE 86 Cb 0.17 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3k17 h ILE 86 CO -0.02 0.46 -0.13 0.00 0.00 0.00 0.00 178.15 178.46 3k17 h ALA 87 N 1.07 0.37 0.16 1.87 0.00 -0.83 -1.45 119.26 120.45 3k17 h ALA 87 Ca 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3k17 h ALA 87 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3k17 h ALA 87 CO 0.06 0.24 -0.19 1.15 0.00 0.00 0.00 179.25 180.51 3k17 h THR 88 N 0.28 0.57 -0.71 0.00 2.02 -0.72 0.25 112.91 114.60 3k17 h THR 88 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.32 3k17 h THR 88 Cb 0.64 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 3k17 h THR 88 CO 0.04 0.00 0.38 0.74 0.37 0.00 0.00 175.52 177.05 3k17 h THR 89 N -0.40 0.91 0.55 3.16 2.02 -1.29 -0.98 112.91 116.88 3k17 h THR 89 Ca 0.01 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3k17 h THR 89 Cb 0.39 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3k17 h THR 89 CO -0.07 0.12 -0.26 0.15 0.37 0.00 0.00 175.52 175.83 3k17 h PHE 90 N 0.67 -0.68 -0.84 3.16 3.57 -0.71 -2.09 116.94 120.01 3k17 h PHE 90 Ca 0.33 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 62.01 3k17 h PHE 90 Cb 0.28 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.13 3k17 h PHE 90 CO -0.09 -0.36 0.35 -0.07 -2.23 0.00 0.00 178.31 175.91 3k17 h LEU 91 N -0.90 0.30 -1.02 0.59 3.38 -0.26 0.17 115.31 117.57 3k17 h LEU 91 Ca -0.07 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3k17 h LEU 91 Cb 0.62 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3k17 h LEU 91 CO 0.12 0.04 0.14 0.11 0.09 0.00 0.00 178.44 178.95 3k17 h LYS 92 N 0.42 0.84 -0.07 1.13 1.57 -1.10 0.87 116.57 120.24 3k17 h LYS 92 Ca 0.50 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3k17 h LYS 92 Cb 0.88 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3k17 h LYS 92 CO -0.48 0.75 -0.10 0.66 -0.57 0.00 0.00 179.45 179.71 3k17 h SER 93 N 0.81 0.09 -0.28 0.86 4.64 0.04 0.11 113.55 119.82 3k17 h SER 93 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k17 h SER 93 Cb 0.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3k17 h SER 93 CO -0.00 0.21 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 3k17 n GLU 94 N -4.37 2.04 -0.93 4.77 -0.58 -0.64 -4.87 120.64 116.06 3k17 n GLU 94 Ca -0.02 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 3k17 n GLU 94 Cb 0.21 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.71 0.23 3.72 0.62 0.00 0.37 -4.96 105.19 105.89 3k17 n GLY 95 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.55 3.89 -0.20 -0.61 -1.09 0.21 -4.96 121.20 116.89 3k17 s ILE 96 Ca 0.00 1.44 -0.18 0.00 -2.23 0.00 0.00 60.65 59.69 3k17 s ILE 96 Cb 0.00 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 3k17 s ILE 96 CO 0.00 0.16 0.48 -0.70 -1.23 0.00 0.00 174.94 173.65 3k17 s GLU 97 N 0.55 4.19 0.26 2.79 2.12 -1.26 -3.96 118.70 123.38 3k17 s GLU 97 Ca 0.56 0.35 -0.27 0.00 0.36 0.00 0.00 54.97 55.97 3k17 s GLU 97 Cb -0.30 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 3k17 s GLU 97 CO 0.32 -0.11 0.90 -0.51 -0.54 0.00 0.00 175.26 175.32 3k17 s LEU 98 N 1.53 4.50 0.08 2.70 1.43 -1.26 -5.07 118.68 122.59 3k17 s LEU 98 Ca 0.23 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.23 3k17 s LEU 98 Cb -0.15 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 3k17 s LEU 98 CO 0.09 0.07 -0.19 0.42 0.23 0.00 0.00 176.35 176.97 3k17 s THR 99 N -1.37 1.56 0.15 5.49 -4.23 -1.26 -4.68 115.64 111.29 3k17 s THR 99 Ca 0.44 -1.40 -0.34 0.00 -1.18 0.00 0.00 61.69 59.20 3k17 s THR 99 Cb -0.22 -1.42 -0.15 0.00 1.34 0.00 0.00 72.50 72.05 3k17 s THR 99 CO 0.27 -0.04 1.45 -0.81 -0.54 0.00 0.00 174.62 174.95 3k17 n PRO 100 N 1.31 1.73 -4.12 3.99 -0.04 -1.26 -4.99 135.00 131.62 3k17 n PRO 100 Ca -0.19 0.62 -0.14 0.00 -0.04 0.00 0.00 63.50 63.75 3k17 n PRO 100 Cb 0.54 -2.32 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 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 0.57 0.74 0.50 0.52 -7.23 -1.26 -2.52 120.40 111.71 3k17 s VAL 101 Ca 0.79 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 3k17 s VAL 101 Cb -0.78 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3k17 s VAL 101 CO 0.43 -0.46 0.34 -0.75 -0.31 0.00 0.00 175.10 174.36 3k17 s LYS 102 N -2.17 2.29 -0.30 4.82 2.20 0.14 -1.46 119.74 125.26 3k17 s LYS 102 Ca -0.02 -1.94 -0.17 0.00 -0.36 0.00 0.00 55.97 53.47 3k17 s LYS 102 Cb -0.06 -2.09 0.21 0.00 -1.51 0.00 0.00 37.83 34.37 3k17 s LYS 102 CO -0.00 -0.46 1.29 0.08 -0.36 0.00 0.00 175.35 175.89 3k17 s VAL 104 N -2.71 -0.01 -0.17 4.02 1.01 -0.43 -1.03 120.40 121.07 3k17 s VAL 104 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 3k17 s VAL 104 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3k17 s VAL 104 CO 0.21 0.00 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 3k17 s ILE 105 N 1.39 3.95 0.26 2.22 1.01 -0.30 -0.77 121.20 128.96 3k17 s ILE 105 Ca -0.05 -0.33 0.12 0.00 0.00 0.00 0.00 60.65 60.39 3k17 s ILE 105 Cb -0.02 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 3k17 s ILE 105 CO -0.12 0.47 -0.21 -1.61 0.00 0.00 0.00 174.94 173.48 3k17 s GLU 106 N 0.54 1.65 0.01 2.79 2.02 0.41 -3.27 118.70 122.85 3k17 s GLU 106 Ca -0.02 -1.71 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 3k17 s GLU 106 Cb -0.14 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 3k17 s GLU 106 CO 0.02 0.35 0.09 -0.08 0.02 0.00 0.00 175.26 175.66 3k17 s THR 107 N -2.32 0.10 -0.02 3.63 -1.32 -1.26 -0.49 115.64 113.95 3k17 s THR 107 Ca 0.28 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 3k17 s THR 107 Cb -0.06 -0.45 0.05 0.00 -1.51 0.00 0.00 72.50 70.54 3k17 s THR 107 CO 0.14 -0.44 0.93 -0.62 -2.21 0.00 0.00 174.62 172.42 3k17 n GLU 108 N 1.40 1.86 -0.18 7.08 1.02 -0.28 -4.74 120.64 126.80 3k17 n GLU 108 Ca -0.23 -1.46 0.08 0.00 -0.02 0.00 0.00 57.16 55.53 3k17 n GLU 108 Cb 0.56 -0.96 0.24 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.54 2.25 -4.51 -4.62 4.77 -1.26 -4.74 117.00 108.35 3k17 n LEU 109 Ca 0.03 -1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 54.65 3k17 n LEU 109 Cb 0.40 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 3k17 n LEU 109 CO 0.00 0.54 -0.47 0.27 -1.33 0.00 0.00 177.39 176.40 3k17 s ILE 110 N -1.52 2.95 0.75 -0.08 -4.36 -1.26 -2.29 121.20 115.39 3k17 s ILE 110 Ca 0.31 -1.52 -0.11 0.00 -0.26 0.00 0.00 60.65 59.06 3k17 s ILE 110 Cb 0.16 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.53 3k17 s ILE 110 CO 0.22 0.06 1.08 -0.62 0.24 0.00 0.00 174.94 175.92 3k17 s ASP 111 N -2.29 4.95 0.24 4.36 2.15 0.15 -4.90 116.67 121.32 3k17 s ASP 111 Ca 0.20 1.36 -0.06 0.00 0.43 0.00 0.00 52.55 54.48 3k17 s ASP 111 Cb -0.10 -2.16 0.42 0.00 -0.30 0.00 0.00 42.92 40.78 3k17 s ASP 111 CO 0.11 -1.68 1.70 1.56 -0.17 0.00 0.00 175.17 176.69 3k17 h GLN 112 N -0.89 0.30 0.50 4.34 7.50 -2.01 -1.63 115.11 123.23 3k17 h GLN 112 Ca -0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 58.65 3k17 h GLN 112 Cb 1.25 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.71 3k17 h GLN 112 CO 0.59 0.20 -0.25 0.66 -1.50 0.00 0.00 178.83 178.53 3k17 h SER 113 N 0.31 -0.60 0.00 1.46 4.64 -2.05 -3.46 113.55 113.84 3k17 h SER 113 Ca 0.39 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3k17 h SER 113 Cb 0.63 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3k17 h SER 113 CO -0.46 -0.42 0.00 0.61 -0.87 0.00 0.00 176.83 175.69 3k17 n GLY 114 N -1.39 -0.80 3.80 -0.77 0.00 -0.61 -5.14 105.19 100.29 3k17 n GLY 114 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.44 0.32 4.61 0.00 -1.26 -4.72 121.76 124.16 3k17 s ALA 115 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 3k17 s ALA 115 Cb 0.00 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 3k17 s ALA 115 CO 0.00 0.33 1.16 0.15 0.00 0.00 0.00 175.76 177.39 3k17 s LYS 116 N -1.63 4.42 0.33 0.00 1.02 -1.26 0.30 119.74 122.92 3k17 s LYS 116 Ca 0.39 1.88 0.26 0.00 0.02 0.00 0.00 55.97 58.53 3k17 s LYS 116 Cb -0.19 -3.01 0.84 0.00 -0.52 0.00 0.00 37.83 34.95 3k17 s LYS 116 CO 0.22 -0.01 1.76 1.88 -0.92 0.00 0.00 175.35 178.28 3k17 h TYR 117 N 3.38 0.00 -0.54 3.18 0.05 -1.80 -3.46 116.97 117.78 3k17 h TYR 117 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 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 0.57 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.09 3k17 n GLY 118 N 0.72 0.92 1.84 3.88 0.00 -1.26 -3.93 105.19 107.35 3k17 n GLY 118 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 5.77 -1.62 0.99 4.77 -1.26 -4.87 117.00 120.51 3k17 n LEU 119 Ca 0.00 -3.23 -0.06 0.00 -0.03 0.00 0.00 56.01 52.69 3k17 n LEU 119 Cb 0.24 -0.72 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 3k17 n LEU 119 CO 0.00 0.82 0.06 0.61 -1.33 0.00 0.00 177.39 177.54 3k17 n GLY 120 N -0.22 0.33 0.21 -0.72 0.00 -1.26 -0.02 105.19 103.52 3k17 n GLY 120 Ca 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.71 -0.19 -0.43 1.61 0.02 -1.93 -0.53 113.55 111.38 3k17 h SER 121 Ca -0.18 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3k17 h SER 121 Cb 1.11 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 3k17 h SER 121 CO 0.16 -0.07 0.04 0.77 -1.14 0.00 0.00 176.83 176.59 3k17 h SER 122 N 0.14 0.77 -0.08 3.07 4.64 -1.99 -1.60 113.55 118.48 3k17 h SER 122 Ca 0.27 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3k17 h SER 122 Cb 0.42 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3k17 h SER 122 CO -0.43 0.81 -0.09 0.00 -0.87 0.00 0.00 176.83 176.25 3k17 h ALA 123 N 1.28 0.12 -0.76 5.18 0.00 -1.79 -2.29 119.26 121.00 3k17 h ALA 123 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3k17 h ALA 123 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3k17 h ALA 123 CO 0.01 -0.05 0.49 0.00 0.00 0.00 0.00 179.25 179.70 3k17 h ALA 124 N 0.56 0.99 -0.48 0.00 0.00 -0.99 0.14 119.26 119.48 3k17 h ALA 124 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3k17 h ALA 124 Cb 0.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3k17 h ALA 124 CO 0.02 0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.70 3k17 h ALA 125 N 1.31 0.64 -0.32 0.00 0.00 -1.33 0.45 119.26 120.01 3k17 h ALA 125 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 125 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3k17 h ALA 125 CO -0.10 0.31 0.17 1.15 0.00 0.00 0.00 179.25 180.78 3k17 h THR 126 N 0.65 1.14 -0.47 0.00 2.02 -0.80 -1.58 112.91 113.88 3k17 h THR 126 Ca 0.15 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3k17 h THR 126 Cb 0.31 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3k17 h THR 126 CO -0.00 0.14 0.10 0.58 0.37 0.00 0.00 175.52 176.71 3k17 h VAL 127 N 0.39 1.21 -0.30 3.16 2.07 -0.53 -1.86 116.25 120.39 3k17 h VAL 127 Ca 0.11 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3k17 h VAL 127 Cb 0.07 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3k17 h VAL 127 CO -0.02 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.95 3k17 h ALA 128 N 1.43 0.40 0.14 1.67 0.00 -0.49 -0.84 119.26 121.57 3k17 h ALA 128 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k17 h ALA 128 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3k17 h ALA 128 CO -0.00 0.02 -0.07 0.28 0.00 0.00 0.00 179.25 179.49 3k17 h VAL 129 N 0.33 0.93 -0.93 0.00 2.07 -1.03 -0.54 116.25 117.09 3k17 h VAL 129 Ca 0.10 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3k17 h VAL 129 Cb 0.23 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3k17 h VAL 129 CO -0.00 0.07 0.59 0.40 0.02 0.00 0.00 177.57 178.65 3k17 h ILE 130 N -0.33 1.06 -0.19 4.57 1.08 -1.30 -1.28 117.51 121.12 3k17 h ILE 130 Ca -0.02 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 3k17 h ILE 130 Cb 0.26 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 3k17 h ILE 130 CO 0.03 0.19 -0.05 0.78 -0.69 0.00 0.00 178.15 178.41 3k17 h ASN 131 N 1.07 0.37 -0.10 1.72 2.35 -1.00 -3.27 115.58 116.73 3k17 h ASN 131 Ca 0.41 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3k17 h ASN 131 Cb 0.18 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3k17 h ASN 131 CO -0.18 0.66 0.06 0.00 -1.65 0.00 0.00 177.43 176.33 3k17 h ALA 132 N 0.72 0.13 0.00 -0.83 0.00 -0.80 -0.20 119.26 118.29 3k17 h ALA 132 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k17 h ALA 132 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3k17 h ALA 132 CO 0.02 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.20 3k17 n LEU 133 N -4.99 0.99 0.00 0.00 4.77 -0.51 -1.55 117.00 115.71 3k17 n LEU 133 Ca -0.05 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3k17 n LEU 133 Cb 0.05 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3k17 n LEU 133 CO 0.34 0.18 0.00 0.41 -1.33 0.00 0.00 177.39 176.98 3k17 n THR 135 N 0.63 0.00 0.07 -5.08 -1.04 -0.09 -1.18 114.28 107.59 3k17 n THR 135 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3k17 n THR 135 Cb 0.18 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 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 0.36 -0.00 -2.82 1.63 -1.52 -3.32 116.57 110.90 3k17 h LYS 136 Ca 0.00 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 3k17 h LYS 136 Cb 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3k17 h LYS 136 CO 0.00 1.08 -0.15 1.19 -3.45 0.00 0.00 179.45 178.12 3k17 n PHE 137 N -3.72 0.00 -2.70 1.91 3.72 -0.33 -4.86 117.46 111.49 3k17 n PHE 137 Ca -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.27 3k17 n PHE 137 Cb 0.84 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.47 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 -0.83 -1.83 0.26 1.38 9.36 -1.26 -5.00 117.16 119.23 3k17 n TYR 138 Ca 0.01 -1.54 0.15 0.00 3.32 0.00 0.00 57.90 59.84 3k17 n TYR 138 Cb 0.07 1.45 0.80 0.00 -0.63 0.00 0.00 39.34 41.02 3k17 n TYR 138 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3k17 h PRO 139 N 2.56 0.00 -0.00 2.98 0.13 -1.89 -2.51 132.00 133.26 3k17 h PRO 139 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3k17 h PRO 139 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3k17 h PRO 139 CO 0.06 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 176.95 3k17 n GLU 140 N -2.63 1.06 -2.07 0.86 0.00 -1.26 -4.88 120.64 111.72 3k17 n GLU 140 Ca -0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 57.16 56.41 3k17 n GLU 140 Cb 0.19 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 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 -2.16 2.84 0.00 3.84 2.07 -0.95 -5.18 121.20 121.66 3k17 s ILE 141 Ca 0.39 0.68 0.00 0.00 -1.41 0.00 0.00 60.65 60.31 3k17 s ILE 141 Cb 0.21 -3.44 0.00 0.00 0.13 0.00 0.00 42.46 39.37 3k17 s ILE 141 CO 0.39 0.10 0.00 -1.54 -1.91 0.00 0.00 174.94 171.98 3k17 n SER 142 N 2.65 0.00 0.00 4.50 3.41 -1.26 -4.88 113.62 118.04 3k17 n SER 142 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3k17 n SER 142 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.16 1.04 7.94 -1.26 -2.49 117.00 122.07 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 0.20 0.00 0.53 0.00 0.00 43.42 44.15 3k17 n LEU 144 CO 0.00 0.00 1.04 0.11 -1.11 0.00 0.00 177.39 177.43 3k17 h LYS 145 N 0.00 0.89 -0.30 1.96 1.57 -1.99 -0.76 116.57 117.93 3k17 h LYS 145 Ca 0.00 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 3k17 h LYS 145 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3k17 h LYS 145 CO 0.00 0.74 -0.26 0.87 -0.57 0.00 0.00 179.45 180.23 3k17 h LYS 146 N 0.88 0.61 -0.06 3.15 1.57 -1.82 -1.66 116.57 119.23 3k17 h LYS 146 Ca 0.20 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k17 h LYS 146 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3k17 h LYS 146 CO -0.02 0.81 0.01 0.35 -0.57 0.00 0.00 179.45 180.03 3k17 h PHE 147 N 0.53 0.01 -0.67 -1.35 3.57 -1.62 -1.14 116.94 116.27 3k17 h PHE 147 Ca 0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3k17 h PHE 147 Cb 0.73 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 3k17 h PHE 147 CO 0.03 0.00 0.36 0.87 -2.23 0.00 0.00 178.31 177.35 3k17 h LYS 148 N 0.03 0.65 -0.51 1.11 1.57 -0.84 0.44 116.57 119.03 3k17 h LYS 148 Ca 0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3k17 h LYS 148 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3k17 h LYS 148 CO -0.04 0.43 0.17 -0.07 -0.57 0.00 0.00 179.45 179.37 3k17 h LEU 149 N 0.67 0.72 -0.67 2.94 3.38 -1.07 -1.44 115.31 119.85 3k17 h LEU 149 Ca 0.30 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3k17 h LEU 149 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3k17 h LEU 149 CO -0.19 0.72 0.02 0.00 0.09 0.00 0.00 178.44 179.08 3k17 h ALA 150 N 1.03 0.88 -0.33 1.53 0.00 -0.35 -2.14 119.26 119.88 3k17 h ALA 150 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3k17 h ALA 150 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3k17 h ALA 150 CO -0.01 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 3k17 h ALA 151 N 1.04 0.44 -0.28 0.00 0.00 0.02 -0.90 119.26 119.58 3k17 h ALA 151 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k17 h ALA 151 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3k17 h ALA 151 CO 0.03 0.21 0.19 -0.07 0.00 0.00 0.00 179.25 179.60 3k17 h LEU 152 N 0.38 0.32 0.11 0.00 3.38 -1.20 0.90 115.31 119.21 3k17 h LEU 152 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k17 h LEU 152 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3k17 h LEU 152 CO 0.02 0.23 -0.11 -1.28 0.09 0.00 0.00 178.44 177.39 3k17 h SER 153 N 0.38 -0.30 -0.59 -0.43 0.87 -1.24 -2.22 113.55 110.03 3k17 h SER 153 Ca 0.10 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3k17 h SER 153 Cb -0.04 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3k17 h SER 153 CO -0.02 -0.17 0.14 -0.74 -0.53 0.00 0.00 176.83 175.50 3k17 h HIS 154 N -0.25 0.99 -0.30 2.24 -0.00 -1.03 -2.68 115.15 114.13 3k17 h HIS 154 Ca 0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 60.37 60.14 3k17 h HIS 154 Cb 0.24 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3k17 h HIS 154 CO -0.12 0.85 -0.27 1.37 -0.00 0.00 0.00 177.93 179.76 3k17 h LEU 155 N 0.85 0.60 -0.73 0.26 8.10 -0.73 0.16 115.31 123.83 3k17 h LEU 155 Ca 0.18 -0.22 -0.13 0.00 0.11 0.00 0.00 57.88 57.82 3k17 h LEU 155 Cb 0.36 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.40 3k17 h LEU 155 CO 0.00 0.85 -0.62 -0.37 -4.11 0.00 0.00 178.44 174.20 3k17 h VAL 156 N 0.52 1.43 0.06 0.15 -1.51 -1.34 -0.57 116.25 114.98 3k17 h VAL 156 Ca 0.07 -2.08 -0.08 0.00 -1.23 0.00 0.00 66.70 63.38 3k17 h VAL 156 Cb 0.73 2.10 0.01 0.00 -2.13 0.00 0.00 31.29 32.01 3k17 h VAL 156 CO 0.06 0.60 -0.36 0.58 -1.23 0.00 0.00 177.57 177.22 3k17 h VAL 157 N 0.05 1.66 -0.28 7.19 2.07 -1.20 -3.31 116.25 122.44 3k17 h VAL 157 Ca -0.01 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 3k17 h VAL 157 Cb 1.10 3.26 -0.02 0.00 -1.52 0.00 0.00 31.29 34.12 3k17 h VAL 157 CO 0.08 0.65 -0.12 -0.61 0.02 0.00 0.00 177.57 177.60 3k17 h GLN 158 N -0.70 0.47 0.00 1.57 5.75 -0.75 -3.46 115.11 117.99 3k17 h GLN 158 Ca -0.06 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3k17 h GLN 158 Cb 1.26 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3k17 h GLN 158 CO 0.07 0.59 0.00 0.41 -2.65 0.00 0.00 178.83 177.25 3k17 n GLY 159 N -0.68 1.06 1.65 2.39 0.00 -0.22 -4.93 105.19 104.46 3k17 n GLY 159 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.59 0.00 1.61 0.23 -1.24 -5.02 115.26 110.24 3k17 n ASN 160 Ca 0.00 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 3k17 n ASN 160 Cb 0.00 0.94 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 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 -0.35 2.40 0.18 4.83 0.00 -1.26 -4.74 105.19 106.25 3k17 n GLY 161 Ca 0.01 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.20 1.61 4.64 -1.84 -3.47 113.55 114.28 3k17 h SER 162 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3k17 h SER 162 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3k17 h SER 162 CO 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.88 3k17 h GLY 164 N 0.00 0.17 0.99 0.00 0.00 -1.95 -1.71 103.07 100.56 3k17 h GLY 164 Ca -0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3k17 h GLY 164 CO 0.13 0.13 -0.03 1.29 0.00 0.00 0.00 176.54 178.06 3k17 h ASP 165 N 0.13 0.80 -0.42 0.19 2.03 -1.99 -0.60 116.42 116.56 3k17 h ASP 165 Ca 0.02 -0.33 0.03 0.00 -0.73 0.00 0.00 57.03 56.02 3k17 h ASP 165 Cb 0.70 -0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 38.95 3k17 h ASP 165 CO 0.05 0.93 0.21 0.40 -1.03 0.00 0.00 179.24 179.80 3k17 h ILE 166 N 0.65 0.98 -0.23 4.15 1.08 -1.78 -1.03 117.51 121.33 3k17 h ILE 166 Ca 0.12 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3k17 h ILE 166 Cb 0.54 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3k17 h ILE 166 CO 0.03 0.08 0.13 0.00 -0.69 0.00 0.00 178.15 177.69 3k17 h ALA 167 N 1.22 0.28 -0.51 1.87 0.00 -1.07 -2.93 119.26 118.11 3k17 h ALA 167 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k17 h ALA 167 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k17 h ALA 167 CO -0.12 -0.27 0.30 1.03 0.00 0.00 0.00 179.25 180.19 3k17 h SER 168 N 0.27 0.62 0.00 0.00 0.87 -0.75 -0.77 113.55 113.79 3k17 h SER 168 Ca 0.09 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3k17 h SER 168 Cb -0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3k17 h SER 168 CO -0.04 0.50 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 3k17 n TYR 171 N 0.50 0.00 -2.82 0.00 4.02 -0.29 -4.43 117.16 114.13 3k17 n TYR 171 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 3k17 n TYR 171 Cb 0.09 0.00 -0.02 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 -0.16 -1.68 7.00 2.72 0.00 0.37 -4.76 105.19 108.68 3k17 n GLY 172 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.53 1.03 3.54 -0.02 0.00 -0.32 -4.67 105.19 103.22 3k17 n GLY 173 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 2.98 0.04 1.61 0.52 -1.26 -1.06 118.94 121.76 3k17 s TRP 174 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 56.10 55.98 3k17 s TRP 174 Cb 0.00 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 3k17 s TRP 174 CO 0.00 0.16 -0.03 0.96 0.02 0.00 0.00 176.95 178.07 3k17 s ILE 175 N -0.29 0.17 -0.23 2.03 -4.36 -0.11 -0.42 121.20 117.99 3k17 s ILE 175 Ca 0.04 -1.41 -0.07 0.00 -0.26 0.00 0.00 60.65 58.96 3k17 s ILE 175 Cb -0.13 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.59 3k17 s ILE 175 CO 0.02 -0.78 0.05 0.00 0.24 0.00 0.00 174.94 174.47 3k17 s ALA 176 N -2.84 3.13 -0.15 2.27 0.00 0.52 -1.16 121.76 123.54 3k17 s ALA 176 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3k17 s ALA 176 Cb 0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 3k17 s ALA 176 CO -0.06 -0.33 -0.16 -0.47 0.00 0.00 0.00 175.76 174.74 3k17 s TYR 177 N 1.33 2.77 -0.21 0.00 5.04 0.67 -1.00 117.35 125.96 3k17 s TYR 177 Ca 0.05 -0.96 -0.02 0.00 -2.44 0.00 0.00 57.07 53.69 3k17 s TYR 177 Cb -0.15 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.30 3k17 s TYR 177 CO 0.03 -0.42 -0.09 0.99 -1.34 0.00 0.00 175.55 174.72 3k17 s THR 178 N 0.69 3.02 0.21 4.34 2.01 0.87 -0.65 115.64 126.13 3k17 s THR 178 Ca -0.07 -0.62 -0.32 0.00 0.31 0.00 0.00 61.69 60.99 3k17 s THR 178 Cb -0.16 -2.35 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 3k17 s THR 178 CO 0.02 0.46 1.71 0.41 -0.69 0.00 0.00 174.62 176.53 3k17 n THR 179 N 4.69 0.04 -0.98 -0.82 -1.04 -0.28 -1.91 114.28 113.99 3k17 n THR 179 Ca -0.19 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 3k17 n THR 179 Cb 0.51 -1.97 0.19 0.00 -1.82 0.00 0.00 70.33 67.24 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 1.11 1.90 -0.67 -1.42 -0.12 -1.26 0.11 117.98 117.62 3k17 s PHE 180 Ca 0.75 1.12 -0.26 0.00 -0.05 0.00 0.00 56.93 58.48 3k17 s PHE 180 Cb -0.51 -3.20 -0.01 0.00 -0.63 0.00 0.00 43.02 38.67 3k17 s PHE 180 CO 0.33 -3.10 1.75 0.34 -0.05 0.00 0.00 175.22 174.49 3k17 s ASP 181 N -3.15 5.46 0.39 1.98 -1.08 -0.05 -4.23 116.67 115.98 3k17 s ASP 181 Ca 0.66 0.05 0.15 0.00 -0.52 0.00 0.00 52.55 52.89 3k17 s ASP 181 Cb -0.20 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.51 3k17 s ASP 181 CO 0.60 -2.29 1.83 1.56 0.52 0.00 0.00 175.17 177.39 3k17 h GLN 182 N 13.56 0.00 -0.14 4.34 4.20 -1.90 -2.48 115.11 132.68 3k17 h GLN 182 Ca -0.22 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.28 3k17 h GLN 182 Cb 1.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.91 3k17 h GLN 182 CO 1.23 0.35 -0.75 0.93 -0.67 0.00 0.00 178.83 179.92 3k17 h GLU 183 N 0.00 0.71 -0.46 1.46 5.08 -1.99 -1.55 114.58 117.83 3k17 h GLU 183 Ca -0.00 -0.57 0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3k17 h GLU 183 Cb 0.67 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3k17 h GLU 183 CO 0.05 1.18 0.20 2.35 -1.00 0.00 0.00 179.01 181.79 3k17 h TRP 184 N 0.49 0.36 -0.09 4.33 7.01 -1.90 -0.83 115.95 125.31 3k17 h TRP 184 Ca -0.04 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 3k17 h TRP 184 Cb 1.37 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.33 3k17 h TRP 184 CO 0.08 0.16 -0.03 0.28 -2.79 0.00 0.00 178.44 176.13 3k17 h VAL 185 N 0.40 1.31 -1.00 2.65 2.07 -1.38 -2.93 116.25 117.37 3k17 h VAL 185 Ca 0.21 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3k17 h VAL 185 Cb 0.17 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3k17 h VAL 185 CO -0.18 0.28 0.66 0.11 0.02 0.00 0.00 177.57 178.46 3k17 h LYS 186 N -0.17 1.27 -0.47 1.57 1.57 -1.07 -0.75 116.57 118.52 3k17 h LYS 186 Ca 0.02 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3k17 h LYS 186 Cb 0.46 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3k17 h LYS 186 CO 0.01 0.84 0.12 0.45 -0.57 0.00 0.00 179.45 180.30 3k17 h HIS 187 N 1.31 0.78 0.00 -1.35 3.86 -1.20 -2.99 115.15 115.56 3k17 h HIS 187 Ca 0.38 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3k17 h HIS 187 Cb -0.08 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.17 3k17 h HIS 187 CO -0.00 0.71 0.00 0.00 0.86 0.00 0.00 177.93 179.50 3k17 h ARG 188 N 0.63 0.00 -0.02 2.45 3.08 -1.23 -3.07 114.38 116.22 3k17 h ARG 188 Ca 0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3k17 h ARG 188 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3k17 h ARG 188 CO 0.00 0.00 0.02 -0.07 -1.07 0.00 0.00 179.97 178.85 3k17 h LEU 189 N 0.00 0.00 0.00 3.04 3.38 -1.00 0.22 115.31 120.96 3k17 h LEU 189 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k17 h LEU 189 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3k17 h LEU 189 CO 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 178.44 177.98 3k17 h ALA 190 N 1.98 0.75 0.00 1.53 0.00 -1.69 -3.40 119.26 118.42 3k17 h ALA 190 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3k17 h ALA 190 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k17 h ALA 190 CO -0.00 0.30 0.00 2.48 0.00 0.00 0.00 179.25 182.03 3k17 n TYR 191 N -3.01 0.00 -4.15 0.00 0.18 -0.80 -5.07 117.16 104.31 3k17 n TYR 191 Ca 0.01 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.53 3k17 n TYR 191 Cb 0.63 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.53 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 -0.12 2.66 0.39 -3.48 -0.14 0.72 -5.10 119.74 114.68 3k17 s LYS 192 Ca 0.00 -1.02 -0.01 0.00 -1.36 0.00 0.00 55.97 53.58 3k17 s LYS 192 Cb 0.00 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 3k17 s LYS 192 CO 0.00 0.46 0.63 -1.54 -0.76 0.00 0.00 175.35 174.13 3k17 s SER 193 N -3.15 6.26 0.28 2.83 1.04 -1.26 -4.76 113.70 114.93 3k17 s SER 193 Ca 0.30 0.59 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 3k17 s SER 193 Cb -0.09 -2.07 0.42 0.00 0.10 0.00 0.00 66.02 64.38 3k17 s SER 193 CO 0.21 -0.41 1.91 0.25 0.98 0.00 0.00 173.24 176.19 3k17 h LEU 194 N 0.57 1.02 -0.58 2.42 5.85 -1.97 -1.11 115.31 121.50 3k17 h LEU 194 Ca -0.49 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.10 3k17 h LEU 194 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3k17 h LEU 194 CO 0.61 0.68 -0.25 1.05 -0.34 0.00 0.00 178.44 180.19 3k17 h GLU 195 N 1.17 0.87 -0.25 1.25 4.11 -1.95 -2.92 114.58 116.86 3k17 h GLU 195 Ca 0.40 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 59.46 3k17 h GLU 195 Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3k17 h GLU 195 CO -0.14 1.02 0.13 2.35 0.07 0.00 0.00 179.01 182.45 3k17 h TRP 196 N 0.75 0.25 0.00 2.06 7.01 -1.68 -2.17 115.95 122.17 3k17 h TRP 196 Ca 0.10 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3k17 h TRP 196 Cb 0.79 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 3k17 h TRP 196 CO 0.05 0.15 0.00 1.19 -2.79 0.00 0.00 178.44 177.03 3k17 n PHE 197 N -4.96 0.00 0.00 2.65 3.72 -0.52 -0.71 117.46 117.64 3k17 n PHE 197 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3k17 n PHE 197 Cb 0.05 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.79 0.00 -2.87 -1.08 4.01 -0.82 -4.76 118.16 113.43 3k17 n LYS 199 Ca 0.00 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.40 3k17 n LYS 199 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.47 3k17 n LYS 199 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3k17 s GLU 200 N 0.00 4.66 0.16 1.97 2.56 0.11 -5.02 118.70 123.14 3k17 s GLU 200 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 54.97 55.95 3k17 s GLU 200 Cb 0.00 -3.31 -0.07 0.00 2.00 0.00 0.00 34.13 32.75 3k17 s GLU 200 CO 0.00 0.43 1.16 -1.25 -0.56 0.00 0.00 175.26 175.04 3k17 s PRO 201 N -0.70 4.51 -0.38 4.30 0.04 -1.26 -4.98 135.00 136.54 3k17 s PRO 201 Ca 0.40 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 3k17 s PRO 201 Cb -0.23 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.04 3k17 s PRO 201 CO 0.28 -0.07 0.73 -1.58 0.04 0.00 0.00 177.00 176.40 3k17 s TRP 202 N 0.12 3.10 0.00 0.56 0.52 -1.26 -5.08 118.94 116.89 3k17 s TRP 202 Ca 0.53 0.39 0.00 0.00 0.02 0.00 0.00 56.10 57.04 3k17 s TRP 202 Cb -0.31 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.64 3k17 s TRP 202 CO 0.34 -0.76 0.23 -2.30 0.02 0.00 0.00 176.95 174.48 3k17 n PRO 203 N 6.35 0.00 0.00 4.98 -0.02 -1.26 -4.80 135.00 140.26 3k17 n PRO 203 Ca 0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3k17 n PRO 203 Cb 0.48 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 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 2.45 0.00 -3.68 2.45 7.94 -1.26 -0.87 117.00 124.03 3k17 n LEU 205 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3k17 n LEU 205 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 3k17 n LEU 205 CO 0.11 0.00 -0.05 -1.10 -1.11 0.00 0.00 177.39 175.24 3k17 s GLN 206 N -4.63 0.25 -0.35 1.96 -0.21 -0.80 -4.98 119.66 110.89 3k17 s GLN 206 Ca 0.00 0.81 0.02 0.00 0.02 0.00 0.00 55.36 56.21 3k17 s GLN 206 Cb 0.00 0.06 0.11 0.00 1.00 0.00 0.00 33.01 34.18 3k17 s GLN 206 CO 0.00 -0.23 0.11 0.42 -2.12 0.00 0.00 175.29 173.47 3k17 s ILE 207 N 2.12 1.59 -0.26 1.08 1.01 -1.26 -0.09 121.20 125.38 3k17 s ILE 207 Ca -0.03 -2.04 -0.08 0.00 0.00 0.00 0.00 60.65 58.50 3k17 s ILE 207 Cb -0.11 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3k17 s ILE 207 CO -0.11 -0.69 0.10 -0.70 0.00 0.00 0.00 174.94 173.55 3k17 s GLU 208 N 1.05 3.66 0.25 2.79 2.12 -0.17 -4.96 118.70 123.45 3k17 s GLU 208 Ca 0.12 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3k17 s GLU 208 Cb -0.19 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 3k17 s GLU 208 CO -0.14 -0.22 1.21 0.99 -0.54 0.00 0.00 175.26 176.56 3k17 s THR 209 N 1.64 3.30 0.24 -1.70 2.01 -1.26 -0.35 115.64 119.51 3k17 s THR 209 Ca 0.06 1.20 0.11 0.00 0.31 0.00 0.00 61.69 63.37 3k17 s THR 209 Cb -0.15 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3k17 s THR 209 CO 0.05 0.24 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.28 3k17 s LEU 210 N -0.92 2.65 0.42 4.42 1.43 0.44 -4.89 118.68 122.22 3k17 s LEU 210 Ca 0.50 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.50 3k17 s LEU 210 Cb -0.35 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.52 3k17 s LEU 210 CO 0.42 0.07 0.97 -1.61 0.23 0.00 0.00 176.35 176.43 3k17 s GLU 211 N -3.17 4.21 0.02 1.70 2.02 -1.26 -4.27 118.70 117.95 3k17 s GLU 211 Ca 0.26 1.23 -0.35 0.00 0.02 0.00 0.00 54.97 56.14 3k17 s GLU 211 Cb -0.07 -2.30 -0.13 0.00 0.10 0.00 0.00 34.13 31.74 3k17 s GLU 211 CO 0.14 -0.06 1.70 -1.91 0.02 0.00 0.00 175.26 175.15 3k17 n GLU 212 N -0.45 2.04 -2.00 1.61 4.07 -1.26 -4.91 120.64 119.74 3k17 n GLU 212 Ca 0.06 0.74 -0.35 0.00 -0.06 0.00 0.00 57.16 57.55 3k17 n GLU 212 Cb 0.53 -2.53 0.03 0.00 -0.06 0.00 0.00 31.44 29.41 3k17 n GLU 212 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3k17 s PRO 213 N 2.39 2.98 -0.05 5.31 0.04 -1.26 -4.97 135.00 139.44 3k17 s PRO 213 Ca 0.86 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 3k17 s PRO 213 Cb -0.72 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 31.63 3k17 s PRO 213 CO 0.46 -1.17 1.01 0.28 0.04 0.00 0.00 177.00 177.62 3k17 h VAL 214 N 0.77 1.54 -3.56 -0.36 2.07 -1.97 -3.46 116.25 111.29 3k17 h VAL 214 Ca -0.50 -2.04 -0.57 0.00 0.82 0.00 0.00 66.70 64.42 3k17 h VAL 214 Cb 1.28 2.81 0.14 0.00 -1.52 0.00 0.00 31.29 34.01 3k17 h VAL 214 CO 0.55 0.56 0.33 -2.65 0.02 0.00 0.00 177.57 176.38 3k17 n PRO 215 N -4.44 1.42 -2.27 1.57 -0.02 -1.26 -4.89 135.00 125.12 3k17 n PRO 215 Ca -0.10 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3k17 n PRO 215 Cb 0.55 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.34 3.80 -0.19 3.45 2.01 -0.69 -4.76 115.64 117.93 3k17 s THR 216 Ca 0.69 1.19 -0.15 0.00 0.31 0.00 0.00 61.69 63.72 3k17 s THR 216 Cb -0.47 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3k17 s THR 216 CO 0.52 0.00 0.36 0.12 -0.69 0.00 0.00 174.62 174.94 3k17 s PHE 217 N 2.28 3.40 0.08 4.92 5.36 -1.26 -0.81 117.98 131.95 3k17 s PHE 217 Ca 0.62 0.61 0.08 0.00 -0.96 0.00 0.00 56.93 57.29 3k17 s PHE 217 Cb -0.30 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.88 3k17 s PHE 217 CO 0.26 0.07 -0.23 -1.12 -1.46 0.00 0.00 175.22 172.75 3k17 s SER 218 N 0.86 2.73 -0.05 6.13 0.01 0.30 -4.74 113.70 118.95 3k17 s SER 218 Ca 0.18 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.86 3k17 s SER 218 Cb -0.14 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 3k17 s SER 218 CO 0.07 0.14 -0.18 -0.69 0.41 0.00 0.00 173.24 172.99 3k17 s VAL 219 N -0.96 1.53 -0.05 3.43 1.01 -1.26 -1.37 120.40 122.74 3k17 s VAL 219 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3k17 s VAL 219 Cb -0.10 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3k17 s VAL 219 CO 0.03 0.44 -0.01 -0.83 0.00 0.00 0.00 175.10 174.73 3k17 s GLY 220 N 0.08 0.38 -0.16 4.51 0.00 -0.51 -1.46 107.32 110.15 3k17 s GLY 220 Ca -0.06 0.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 3k17 s GLY 220 CO 0.03 0.72 0.69 0.86 0.00 0.00 0.00 173.10 175.40 3k17 s TRP 221 N 1.29 3.44 -1.40 1.90 -0.00 0.37 -0.74 118.94 123.79 3k17 s TRP 221 Ca -0.06 1.08 -0.15 0.00 -0.00 0.00 0.00 56.10 56.97 3k17 s TRP 221 Cb -0.13 -2.84 0.05 0.00 -0.00 0.00 0.00 33.47 30.55 3k17 s TRP 221 CO -0.02 -0.11 2.05 0.25 -0.00 0.00 0.00 176.95 179.11 3k17 n THR 222 N 4.44 3.64 -0.15 5.86 -2.24 0.86 -1.44 114.28 125.26 3k17 n THR 222 Ca -0.00 -3.43 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 3k17 n THR 222 Cb 0.50 -2.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.21 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 4.52 -0.00 3.59 3.38 0.00 -1.26 -4.56 105.19 110.86 3k17 n GLY 223 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 3k17 n GLY 223 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k17 s THR 224 N -0.10 0.00 0.81 2.61 -1.32 -1.26 -5.11 115.64 111.28 3k17 s THR 224 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3k17 s THR 224 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 3k17 s THR 224 CO 0.00 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.37 3k17 s PRO 225 N -1.25 1.95 0.00 7.08 0.04 -1.26 -2.46 135.00 139.10 3k17 s PRO 225 Ca 0.01 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3k17 s PRO 225 Cb -0.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3k17 s PRO 225 CO -0.01 -1.68 0.00 1.55 0.04 0.00 0.00 177.00 176.90 3k17 n VAL 226 N -3.44 0.00 -1.39 -0.36 3.14 -1.26 -4.62 118.33 110.40 3k17 n VAL 226 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3k17 n VAL 226 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 3k17 n VAL 226 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3k17 n SER 227 N 0.00 0.00 0.00 6.55 7.64 -1.26 -4.96 113.62 121.59 3k17 n SER 227 Ca 0.00 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.41 3k17 n SER 227 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k17 n SER 227 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3k17 n THR 228 N 0.00 0.00 -0.43 0.44 5.66 -1.26 -2.15 114.28 116.54 3k17 n THR 228 Ca 0.00 0.00 0.33 0.00 -3.05 0.00 0.00 64.05 61.33 3k17 n THR 228 Cb 0.24 0.00 0.51 0.00 -1.55 0.00 0.00 70.33 69.52 3k17 n THR 228 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k17 n GLY 229 N -0.44 -0.63 0.10 1.09 0.00 -1.26 -1.64 105.19 102.42 3k17 n GLY 229 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 3k17 n GLY 229 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k17 n LYS 230 N -3.17 0.54 0.00 1.61 5.02 -0.92 -4.13 118.16 117.12 3k17 n LYS 230 Ca 0.28 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3k17 n LYS 230 Cb 1.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 3k17 n LYS 230 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k17 n LEU 231 N -4.41 0.00 -0.28 -0.35 4.77 -0.65 0.15 117.00 116.23 3k17 n LEU 231 Ca -0.27 0.94 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 3k17 n LEU 231 Cb 0.61 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.49 3k17 n LEU 231 CO 0.14 -0.44 1.03 0.58 -1.33 0.00 0.00 177.39 177.37 3k17 h VAL 232 N 0.00 0.60 0.32 4.08 2.07 -1.83 0.51 116.25 121.99 3k17 h VAL 232 Ca 0.00 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3k17 h VAL 232 Cb 0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3k17 h VAL 232 CO 0.00 0.08 -0.15 -1.28 0.02 0.00 0.00 177.57 176.24 3k17 h SER 233 N 0.45 -0.36 -0.88 0.57 0.87 -1.56 -0.29 113.55 112.35 3k17 h SER 233 Ca 0.47 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 61.00 3k17 h SER 233 Cb 0.77 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 3k17 h SER 233 CO -0.45 -0.17 0.58 1.56 -0.53 0.00 0.00 176.83 177.82 3k17 h GLN 234 N -0.53 1.08 -0.12 2.24 4.20 0.22 -1.15 115.11 121.05 3k17 h GLN 234 Ca -0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3k17 h GLN 234 Cb 0.40 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3k17 h GLN 234 CO 0.07 0.71 -0.08 0.82 -0.67 0.00 0.00 178.83 179.68 3k17 h ILE 235 N 1.11 1.34 -1.00 2.54 1.08 -0.82 -1.53 117.51 120.23 3k17 h ILE 235 Ca 0.34 -1.17 0.14 0.00 -0.39 0.00 0.00 64.86 63.78 3k17 h ILE 235 Cb -0.01 1.85 -0.09 0.00 -3.07 0.00 0.00 36.82 35.51 3k17 h ILE 235 CO -0.10 0.34 0.63 -0.74 -0.69 0.00 0.00 178.15 177.58 3k17 h HIS 236 N -0.11 1.11 -0.05 1.37 2.76 -0.62 0.15 115.15 119.77 3k17 h HIS 236 Ca 0.02 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.10 3k17 h HIS 236 Cb 0.57 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3k17 h HIS 236 CO 0.08 0.40 -0.56 0.00 -1.30 0.00 0.00 177.93 176.55 3k17 h ALA 237 N 1.56 0.97 -0.21 5.26 0.00 -1.10 -3.27 119.26 122.49 3k17 h ALA 237 Ca 0.51 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3k17 h ALA 237 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k17 h ALA 237 CO -0.28 0.70 0.07 0.35 0.00 0.00 0.00 179.25 180.09 3k17 h PHE 238 N 0.11 0.33 -0.78 0.00 3.57 0.35 -2.92 116.94 117.60 3k17 h PHE 238 Ca -0.00 -0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.67 3k17 h PHE 238 Cb 1.02 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 3k17 h PHE 238 CO 0.01 0.40 0.55 1.57 -2.23 0.00 0.00 178.31 178.60 3k17 h LYS 239 N 0.17 0.13 0.06 1.11 2.10 -1.46 -0.71 116.57 117.97 3k17 h LYS 239 Ca 0.07 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 3k17 h LYS 239 Cb 0.22 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3k17 h LYS 239 CO -0.00 0.09 -0.03 1.96 -2.00 0.00 0.00 179.45 179.47 3k17 h GLN 240 N 0.14 -0.07 0.11 0.07 1.08 -1.65 -3.29 115.11 111.50 3k17 h GLN 240 Ca 0.38 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 3k17 h GLN 240 Cb 1.30 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3k17 h GLN 240 CO -0.06 0.40 -0.05 1.49 -0.95 0.00 0.00 178.83 179.66 3k17 h GLU 241 N -0.58 -0.15 -3.14 1.46 4.81 -1.16 -3.38 114.58 112.44 3k17 h GLU 241 Ca -0.01 0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 3k17 h GLU 241 Cb 0.50 0.03 -0.39 0.00 0.63 0.00 0.00 28.75 29.53 3k17 h GLU 241 CO 0.01 0.20 -0.33 -3.47 -0.73 0.00 0.00 179.01 174.69 3k17 n ASP 242 N -4.99 3.66 0.17 1.04 -0.08 -0.38 -4.91 116.55 111.05 3k17 n ASP 242 Ca -0.09 -3.19 0.01 0.00 -1.51 0.00 0.00 54.79 50.01 3k17 n ASP 242 Cb 0.22 -0.90 0.29 0.00 2.34 0.00 0.00 41.12 43.08 3k17 n ASP 242 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k17 h SER 243 N 5.59 0.01 0.39 1.67 4.64 -1.75 -2.79 113.55 121.32 3k17 h SER 243 Ca 0.16 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3k17 h SER 243 Cb 0.77 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3k17 h SER 243 CO 0.80 0.46 -0.19 0.11 -0.87 0.00 0.00 176.83 177.14 3k17 h LYS 244 N 0.01 -0.51 -0.07 4.77 1.57 -1.91 0.21 116.57 120.65 3k17 h LYS 244 Ca -0.00 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3k17 h LYS 244 Cb 0.81 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3k17 h LYS 244 CO 0.06 -0.31 -0.39 -0.91 -0.57 0.00 0.00 179.45 177.33 3k17 h ASN 245 N -0.57 0.15 -0.41 0.86 2.35 -1.99 -1.37 115.58 114.59 3k17 h ASN 245 Ca -0.05 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 3k17 h ASN 245 Cb 0.43 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3k17 h ASN 245 CO 0.09 0.53 -0.13 0.22 -1.65 0.00 0.00 177.43 176.49 3k17 h TYR 246 N 0.12 0.91 -0.37 1.19 3.20 -1.26 -1.23 116.97 119.54 3k17 h TYR 246 Ca 0.01 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.60 3k17 h TYR 246 Cb 0.74 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3k17 h TYR 246 CO 0.01 0.94 -0.09 0.37 -1.64 0.00 0.00 178.16 177.75 3k17 h GLN 247 N 0.62 0.63 -0.59 1.82 5.75 -0.32 -0.83 115.11 122.18 3k17 h GLN 247 Ca 0.10 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3k17 h GLN 247 Cb 0.67 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 3k17 h GLN 247 CO 0.05 0.71 0.29 1.25 -2.65 0.00 0.00 178.83 178.48 3k17 h HIS 248 N 0.58 0.84 -0.23 3.99 2.76 -0.92 0.17 115.15 122.33 3k17 h HIS 248 Ca 0.11 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3k17 h HIS 248 Cb 0.51 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 3k17 h HIS 248 CO 0.02 0.64 -0.01 0.35 -1.30 0.00 0.00 177.93 177.63 3k17 h PHE 249 N 0.80 -0.03 -0.70 5.26 3.57 -0.59 -0.08 116.94 125.17 3k17 h PHE 249 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3k17 h PHE 249 Cb 0.10 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3k17 h PHE 249 CO -0.00 -0.05 0.37 -0.07 -2.23 0.00 0.00 178.31 176.32 3k17 h LEU 250 N 0.06 0.90 -0.37 0.59 3.38 -0.79 0.60 115.31 119.66 3k17 h LEU 250 Ca 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k17 h LEU 250 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3k17 h LEU 250 CO -0.19 0.76 0.17 0.74 0.09 0.00 0.00 178.44 180.00 3k17 h THR 251 N 0.97 1.18 -0.44 0.22 2.02 -0.56 -2.61 112.91 113.69 3k17 h THR 251 Ca 0.25 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3k17 h THR 251 Cb 0.07 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3k17 h THR 251 CO -0.04 0.19 0.03 0.03 0.37 0.00 0.00 175.52 176.11 3k17 h ARG 252 N 0.46 0.75 -0.22 6.66 2.47 -0.78 -3.15 114.38 120.58 3k17 h ARG 252 Ca 0.13 -0.22 0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3k17 h ARG 252 Cb 0.14 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.33 3k17 h ARG 252 CO -0.01 0.80 -0.12 -0.97 0.56 0.00 0.00 179.97 180.23 3k17 h ASN 253 N 0.60 -0.39 0.37 7.04 -0.73 -0.68 -1.20 115.58 120.59 3k17 h ASN 253 Ca 0.13 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.35 3k17 h ASN 253 Cb 0.44 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 3k17 h ASN 253 CO 0.02 -0.15 -0.21 0.78 -0.37 0.00 0.00 177.43 177.49 3k17 h ASN 254 N -0.10 0.00 -0.09 1.15 2.35 -1.48 -2.47 115.58 114.95 3k17 h ASN 254 Ca 0.12 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.63 3k17 h ASN 254 Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.66 3k17 h ASN 254 CO -0.28 0.21 -0.88 -0.33 -1.65 0.00 0.00 177.43 174.50 3k17 h GLU 255 N 0.00 0.76 -1.81 0.81 4.39 -1.38 -2.52 114.58 114.83 3k17 h GLU 255 Ca -0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 3k17 h GLU 255 Cb 0.45 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3k17 h GLU 255 CO 0.03 1.28 0.00 -0.89 -1.16 0.00 0.00 179.01 178.27 3k17 n ILE 256 N -3.90 0.25 0.00 3.13 5.41 -0.50 -2.21 119.36 121.54 3k17 n ILE 256 Ca -0.09 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.65 3k17 n ILE 256 Cb 0.80 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 3k17 n ILE 256 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3k17 n LYS 258 N 1.04 0.00 -0.15 0.38 5.02 -0.95 -1.31 118.16 122.19 3k17 n LYS 258 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3k17 n LYS 258 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.11 3k17 n LYS 258 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3k17 h GLN 259 N 0.00 0.78 -0.43 1.97 4.20 -1.74 -1.90 115.11 118.00 3k17 h GLN 259 Ca 0.00 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3k17 h GLN 259 Cb 0.00 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3k17 h GLN 259 CO 0.00 0.89 0.18 0.82 -0.67 0.00 0.00 178.83 180.04 3k17 h ILE 260 N 0.61 1.20 -0.81 2.54 2.04 -1.50 0.13 117.51 121.72 3k17 h ILE 260 Ca 0.11 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3k17 h ILE 260 Cb 0.57 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3k17 h ILE 260 CO 0.03 0.22 0.54 0.40 0.00 0.00 0.00 178.15 179.34 3k17 h ILE 261 N 0.55 1.19 -0.58 -0.67 2.04 -1.81 -0.82 117.51 117.41 3k17 h ILE 261 Ca 0.14 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 3k17 h ILE 261 Cb 0.18 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3k17 h ILE 261 CO -0.01 0.20 -0.06 -0.61 0.00 0.00 0.00 178.15 177.67 3k17 h GLN 262 N 1.08 1.05 -0.97 2.37 4.15 -0.92 -0.78 115.11 121.10 3k17 h GLN 262 Ca 0.30 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.38 3k17 h GLN 262 Cb -0.10 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 3k17 h GLN 262 CO -0.07 1.06 0.64 0.00 -1.93 0.00 0.00 178.83 178.53 3k17 h ALA 263 N 0.98 1.33 0.38 3.38 0.00 -0.02 0.28 119.26 125.59 3k17 h ALA 263 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3k17 h ALA 263 Cb 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k17 h ALA 263 CO 0.04 0.60 -0.18 0.74 0.00 0.00 0.00 179.25 180.44 3k17 h PHE 264 N 1.28 -0.47 -0.45 0.00 0.04 -0.89 0.49 116.94 116.93 3k17 h PHE 264 Ca 0.37 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.21 3k17 h PHE 264 Cb -0.08 0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 3k17 h PHE 264 CO -0.00 -0.14 0.02 1.25 -0.60 0.00 0.00 178.31 178.84 3k17 h HIS 265 N -0.87 0.02 -0.10 -0.55 2.76 -0.78 -2.54 115.15 113.08 3k17 h HIS 265 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3k17 h HIS 265 Cb 0.54 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.56 3k17 h HIS 265 CO 0.02 -0.07 0.00 0.25 -1.30 0.00 0.00 177.93 176.83 3k17 n THR 266 N -5.19 0.12 -3.67 6.26 -2.24 0.95 -4.95 114.28 105.57 3k17 n THR 266 Ca 0.04 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 3k17 n THR 266 Cb 0.24 0.55 0.05 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.40 -6.11 -3.34 -0.78 4.76 -0.04 -4.92 118.16 108.14 3k17 n LYS 267 Ca 0.17 0.71 -0.46 0.00 -2.87 0.00 0.00 58.31 55.87 3k17 n LYS 267 Cb 0.38 -5.56 -0.01 0.00 -1.84 0.00 0.00 35.03 27.99 3k17 n LYS 267 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3k17 s ASP 268 N -3.90 6.99 0.18 4.39 -1.08 -0.04 -4.92 116.67 118.29 3k17 s ASP 268 Ca 0.28 -3.09 -0.14 0.00 -0.52 0.00 0.00 52.55 49.08 3k17 s ASP 268 Cb -0.13 -2.20 0.16 0.00 -1.46 0.00 0.00 42.92 39.28 3k17 s ASP 268 CO 0.78 -0.44 1.70 -0.33 0.52 0.00 0.00 175.17 177.39 3k17 h GLU 269 N 7.28 0.13 -0.66 4.34 5.08 -1.91 -1.62 114.58 127.21 3k17 h GLU 269 Ca 0.14 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3k17 h GLU 269 Cb 0.97 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3k17 h GLU 269 CO 0.86 0.09 0.44 0.93 -1.00 0.00 0.00 179.01 180.33 3k17 h GLU 270 N 0.13 0.76 -0.25 2.33 4.39 -1.98 -0.77 114.58 119.20 3k17 h GLU 270 Ca 0.23 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 3k17 h GLU 270 Cb 0.33 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3k17 h GLU 270 CO -0.36 0.50 -0.38 1.25 -1.16 0.00 0.00 179.01 178.86 3k17 h LEU 271 N 0.78 0.60 0.34 1.33 5.85 -1.73 -1.88 115.31 120.62 3k17 h LEU 271 Ca 0.27 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3k17 h LEU 271 Cb 0.09 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3k17 h LEU 271 CO -0.08 0.93 -0.17 0.25 -0.34 0.00 0.00 178.44 179.03 3k17 h LEU 272 N 0.48 -0.39 -0.25 2.25 5.85 -0.53 -0.30 115.31 122.41 3k17 h LEU 272 Ca 0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k17 h LEU 272 Cb 0.88 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3k17 h LEU 272 CO 0.08 -0.23 0.14 1.88 -0.34 0.00 0.00 178.44 179.96 3k17 h TYR 273 N -0.52 0.26 -0.60 1.25 0.05 -1.21 -0.90 116.97 115.30 3k17 h TYR 273 Ca -0.05 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3k17 h TYR 273 Cb 0.39 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3k17 h TYR 273 CO -0.04 0.15 0.24 0.66 -1.05 0.00 0.00 178.16 178.13 3k17 h SER 274 N 0.29 0.79 -0.48 3.88 4.64 -1.29 -1.84 113.55 119.54 3k17 h SER 274 Ca 0.10 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3k17 h SER 274 Cb 0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3k17 h SER 274 CO -0.06 0.71 -0.17 0.28 -0.87 0.00 0.00 176.83 176.72 3k17 h SER 275 N 0.86 0.98 -0.63 4.97 0.02 -0.59 -1.64 113.55 117.52 3k17 h SER 275 Ca 0.21 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 3k17 h SER 275 Cb 0.16 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3k17 h SER 275 CO -0.02 1.14 0.12 0.40 -1.14 0.00 0.00 176.83 177.33 3k17 h ILE 276 N 0.81 1.26 -0.84 3.27 1.08 -0.94 -0.48 117.51 121.67 3k17 h ILE 276 Ca 0.11 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3k17 h ILE 276 Cb 0.74 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 3k17 h ILE 276 CO 0.06 0.36 0.44 0.11 -0.69 0.00 0.00 178.15 178.43 3k17 h LYS 277 N 0.94 1.19 -0.48 2.37 1.57 -1.20 -0.37 116.57 120.60 3k17 h LYS 277 Ca 0.19 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3k17 h LYS 277 Cb 0.40 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3k17 h LYS 277 CO 0.01 0.90 0.06 0.93 -0.57 0.00 0.00 179.45 180.78 3k17 h GLU 278 N 1.19 0.80 -0.67 3.15 5.08 -0.94 -1.97 114.58 121.23 3k17 h GLU 278 Ca 0.29 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3k17 h GLU 278 Cb 0.07 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3k17 h GLU 278 CO -0.04 0.81 0.25 -0.97 -1.00 0.00 0.00 179.01 178.06 3k17 h ASN 279 N 0.66 0.94 -0.58 1.42 -0.73 -0.61 -1.00 115.58 115.69 3k17 h ASN 279 Ca 0.14 -0.18 0.05 0.00 1.87 0.00 0.00 56.30 58.18 3k17 h ASN 279 Cb 0.41 -0.24 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 3k17 h ASN 279 CO 0.01 0.87 0.30 -0.09 -0.37 0.00 0.00 177.43 178.16 3k17 h ARG 280 N 0.95 0.56 -0.59 6.67 2.43 -0.93 -2.07 114.38 121.41 3k17 h ARG 280 Ca 0.22 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3k17 h ARG 280 Cb 0.24 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3k17 h ARG 280 CO -0.01 0.37 0.18 0.00 -1.51 0.00 0.00 179.97 179.00 3k17 h ARG 281 N 0.58 0.92 0.00 0.20 2.47 -0.84 -1.29 114.38 116.42 3k17 h ARG 281 Ca 0.26 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3k17 h ARG 281 Cb 0.15 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3k17 h ARG 281 CO -0.17 0.83 -0.35 -0.84 0.56 0.00 0.00 179.97 180.01 3k17 h ILE 282 N 0.84 0.91 -0.11 2.04 3.07 -0.93 -1.06 117.51 122.27 3k17 h ILE 282 Ca 0.19 -1.36 -0.19 0.00 1.55 0.00 0.00 64.86 65.04 3k17 h ILE 282 Cb 0.29 1.82 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3k17 h ILE 282 CO -0.00 0.34 -0.73 -0.07 -1.05 0.00 0.00 178.15 176.63 3k17 h LEU 283 N 0.00 0.64 -0.36 0.16 3.38 -1.09 -0.80 115.31 117.23 3k17 h LEU 283 Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3k17 h LEU 283 Cb 0.79 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3k17 h LEU 283 CO 0.04 1.17 -0.05 1.56 0.09 0.00 0.00 178.44 181.26 3k17 h GLN 284 N 0.37 0.67 -0.50 1.13 4.20 -0.86 -0.59 115.11 119.53 3k17 h GLN 284 Ca -0.04 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.44 3k17 h GLN 284 Cb 1.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.03 3k17 h GLN 284 CO 0.14 0.81 0.32 0.93 -0.67 0.00 0.00 178.83 180.36 3k17 h GLU 285 N 0.48 0.64 0.04 1.46 4.39 -1.15 0.25 114.58 120.69 3k17 h GLU 285 Ca 0.10 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3k17 h GLU 285 Cb 0.54 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3k17 h GLU 285 CO 0.03 0.42 -0.14 1.25 -1.16 0.00 0.00 179.01 179.41 3k17 h LEU 286 N 0.66 -0.40 -0.28 1.33 5.85 -0.91 -1.33 115.31 120.23 3k17 h LEU 286 Ca 0.18 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3k17 h LEU 286 Cb -0.06 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3k17 h LEU 286 CO -0.05 -0.20 0.12 1.23 -0.34 0.00 0.00 178.44 179.20 3k17 h GLY 287 N -0.26 0.36 0.68 3.75 0.00 -0.79 -1.36 103.07 105.45 3k17 h GLY 287 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3k17 h GLY 287 CO -0.11 0.05 -0.05 -0.84 0.00 0.00 0.00 176.54 175.59 3k17 h THR 288 N 0.26 0.82 0.00 4.70 2.02 -0.74 0.30 112.91 120.26 3k17 h THR 288 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3k17 h THR 288 Cb 0.06 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3k17 h THR 288 CO -0.10 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.90 3k17 h LYS 289 N -0.03 0.00 -0.00 6.66 1.57 -1.09 -0.05 116.57 123.62 3k17 h LYS 289 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k17 h LYS 289 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3k17 h LYS 289 CO -0.16 0.00 -0.59 0.00 -0.57 0.00 0.00 179.45 178.13 3k17 n ALA 290 N -2.00 3.81 -2.03 3.86 0.00 -0.53 -4.95 120.51 118.67 3k17 n ALA 290 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 3k17 n ALA 290 Cb 0.23 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.46 0.23 3.26 0.00 0.00 0.42 -4.95 105.19 105.62 3k17 n GLY 291 Ca 0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 3k17 n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k17 s VAL 292 N -2.19 0.63 -0.48 1.61 0.11 0.76 -5.00 120.40 115.85 3k17 s VAL 292 Ca 0.00 -1.99 -0.04 0.00 -2.93 0.00 0.00 61.98 57.03 3k17 s VAL 292 Cb 0.00 -2.28 0.13 0.00 -1.53 0.00 0.00 36.38 32.70 3k17 s VAL 292 CO 0.00 -0.33 0.29 0.20 -3.33 0.00 0.00 175.10 171.93 3k17 s ASN 293 N -3.21 5.31 0.28 3.54 -0.87 -1.26 -3.58 114.94 115.13 3k17 s ASN 293 Ca 0.28 -2.26 -0.00 0.00 -1.57 0.00 0.00 52.86 49.31 3k17 s ASN 293 Cb 0.07 -1.86 0.39 0.00 -0.02 0.00 0.00 41.25 39.83 3k17 s ASN 293 CO 0.07 -0.51 1.78 0.40 -2.57 0.00 0.00 177.10 176.27 3k17 h ILE 294 N 6.01 1.24 -3.76 0.60 2.04 -1.89 -3.38 117.51 118.37 3k17 h ILE 294 Ca -0.10 -0.99 -0.64 0.00 1.00 0.00 0.00 64.86 64.13 3k17 h ILE 294 Cb 1.02 0.94 -0.16 0.00 -0.74 0.00 0.00 36.82 37.89 3k17 h ILE 294 CO 0.72 0.34 -0.33 -1.61 0.00 0.00 0.00 178.15 177.27 3k17 s GLU 295 N -4.93 3.90 0.89 2.37 2.02 -1.26 0.58 118.70 122.26 3k17 s GLU 295 Ca -0.09 -0.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.60 3k17 s GLU 295 Cb 0.15 -3.69 0.13 0.00 0.10 0.00 0.00 34.13 30.82 3k17 s GLU 295 CO 0.80 -0.30 1.21 0.95 0.02 0.00 0.00 175.26 177.94 3k17 s THR 296 N 1.96 1.98 0.19 3.63 -4.23 -1.26 -4.75 115.64 113.17 3k17 s THR 296 Ca 0.12 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 3k17 s THR 296 Cb -0.16 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.86 3k17 s THR 296 CO 0.11 0.00 1.73 0.28 -0.54 0.00 0.00 174.62 176.20 3k17 h SER 297 N -1.37 0.11 -0.33 3.99 0.02 -1.97 -0.25 113.55 113.74 3k17 h SER 297 Ca -0.46 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.49 3k17 h SER 297 Cb 1.30 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 3k17 h SER 297 CO 0.56 0.08 -0.05 0.25 -1.14 0.00 0.00 176.83 176.53 3k17 h LEU 298 N 0.31 0.70 -0.57 5.07 5.85 -1.96 -1.90 115.31 122.82 3k17 h LEU 298 Ca 0.26 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3k17 h LEU 298 Cb 0.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3k17 h LEU 298 CO -0.30 0.81 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.34 3k17 h LEU 299 N 0.67 0.95 -0.84 2.25 3.38 -1.70 -0.26 115.31 119.76 3k17 h LEU 299 Ca 0.13 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3k17 h LEU 299 Cb 0.49 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3k17 h LEU 299 CO 0.03 1.12 0.51 0.50 0.09 0.00 0.00 178.44 180.68 3k17 h LYS 300 N 0.81 1.14 -0.39 1.13 3.64 -0.77 0.07 116.57 122.19 3k17 h LYS 300 Ca 0.11 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3k17 h LYS 300 Cb 0.76 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3k17 h LYS 300 CO 0.06 0.80 -0.22 0.93 -2.27 0.00 0.00 179.45 178.75 3k17 h GLU 301 N 1.16 0.77 0.05 1.90 4.39 -1.07 0.30 114.58 122.08 3k17 h GLU 301 Ca 0.30 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k17 h GLU 301 Cb -0.05 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3k17 h GLU 301 CO -0.06 0.92 -0.03 1.25 -1.16 0.00 0.00 179.01 179.94 3k17 h LEU 302 N 0.67 -0.06 0.08 1.33 6.46 -0.32 -1.46 115.31 122.01 3k17 h LEU 302 Ca 0.09 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3k17 h LEU 302 Cb 0.73 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3k17 h LEU 302 CO 0.06 -0.00 -0.04 0.00 -0.62 0.00 0.00 178.44 177.84 3k17 h ALA 303 N 0.83 -0.10 -0.65 1.25 0.00 -0.87 -2.63 119.26 117.09 3k17 h ALA 303 Ca -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3k17 h ALA 303 Cb 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3k17 h ALA 303 CO 0.01 -0.38 0.24 -0.44 0.00 0.00 0.00 179.25 178.68 3k17 h ASP 304 N -0.47 0.22 -0.66 0.00 3.32 -0.40 -1.05 116.42 117.39 3k17 h ASP 304 Ca -0.01 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3k17 h ASP 304 Cb 0.40 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3k17 h ASP 304 CO 0.02 0.12 0.12 0.77 -1.72 0.00 0.00 179.24 178.55 3k17 h SER 305 N 0.41 1.04 -0.88 6.45 4.64 -1.29 -0.10 113.55 123.83 3k17 h SER 305 Ca 0.34 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3k17 h SER 305 Cb 0.45 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 3k17 h SER 305 CO -0.34 1.02 0.57 0.00 -0.87 0.00 0.00 176.83 177.21 3k17 h ALA 306 N 1.10 1.11 -0.13 5.18 0.00 -0.89 -2.57 119.26 123.06 3k17 h ALA 306 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 306 Cb 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k17 h ALA 306 CO 0.01 0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.64 3k17 h GLU 307 N 1.19 0.29 -2.17 0.00 5.08 -0.95 -1.96 114.58 116.07 3k17 h GLU 307 Ca 0.32 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3k17 h GLU 307 Cb -0.12 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3k17 h GLU 307 CO -0.07 0.65 0.07 0.09 -1.00 0.00 0.00 179.01 178.75 3k17 n ASN 308 N -4.65 0.00 0.00 1.42 3.02 -0.07 -3.55 115.26 111.43 3k17 n ASN 308 Ca -0.06 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3k17 n ASN 308 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 2.01 -0.28 0.00 7.41 0.00 -1.23 -5.09 105.19 108.01 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 -0.07 3.52 3.33 -0.02 0.00 -0.74 -4.70 105.19 106.50 3k17 n GLY 311 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.11 -1.01 0.25 4.61 0.00 -1.01 -4.17 121.76 118.33 3k17 s ALA 312 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3k17 s ALA 312 Cb 0.00 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3k17 s ALA 312 CO 0.00 -0.54 0.66 0.20 0.00 0.00 0.00 175.76 176.08 3k17 s GLY 313 N -2.34 -0.10 -0.09 0.00 0.00 -1.26 -1.16 107.32 102.37 3k17 s GLY 313 Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 44.72 44.13 3k17 s GLY 313 CO -0.06 -0.13 1.31 -1.59 0.00 0.00 0.00 173.10 172.63 3k17 s LYS 314 N -3.90 0.27 0.69 2.90 -2.85 -0.23 -4.78 119.74 111.83 3k17 s LYS 314 Ca 0.11 -0.14 -0.15 0.00 -1.00 0.00 0.00 55.97 54.79 3k17 s LYS 314 Cb -0.04 0.10 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 3k17 s LYS 314 CO 0.03 -0.12 1.14 -1.54 0.10 0.00 0.00 175.35 174.96 3k17 s SER 315 N -2.74 4.77 -0.22 0.03 1.04 -1.26 -0.02 113.70 115.31 3k17 s SER 315 Ca 0.13 2.13 0.01 0.00 0.48 0.00 0.00 55.95 58.69 3k17 s SER 315 Cb 0.04 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.62 3k17 s SER 315 CO -0.04 -1.86 -0.14 -0.55 0.98 0.00 0.00 173.24 171.62 3k17 s SER 316 N -2.38 3.75 0.00 7.02 0.15 0.22 -4.69 113.70 117.77 3k17 s SER 316 Ca 0.69 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3k17 s SER 316 Cb -0.23 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 3k17 s SER 316 CO 0.43 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3k17 n GLY 317 N 4.59 1.07 0.24 9.45 0.00 -1.26 -4.39 105.19 114.88 3k17 n GLY 317 Ca -0.18 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.39 3k17 n GLY 317 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k17 h SER 318 N 0.41 0.00 -4.03 1.61 0.02 -1.95 -3.46 113.55 106.16 3k17 h SER 318 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k17 h SER 318 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k17 h SER 318 CO 0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 3k17 n GLY 319 N 0.56 -2.08 2.36 -3.77 0.00 -1.26 -4.87 105.19 96.14 3k17 n GLY 319 Ca 0.02 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 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 0.37 0.00 -0.02 0.00 0.20 -4.75 105.19 100.99 3k17 n GLY 320 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.54 0.41 7.00 -0.02 0.00 -1.26 -4.41 105.19 105.36 3k17 n GLY 321 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.00 -4.88 1.61 8.00 -1.03 -4.82 116.55 115.43 3k17 n ASP 322 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3k17 n ASP 322 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.34 1.00 0.27 0.00 0.00 0.08 -0.61 107.32 104.72 3k17 s GLY 324 Ca 0.51 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 44.09 3k17 s GLY 324 CO 0.34 -1.22 0.01 -0.26 0.00 0.00 0.00 173.10 171.97 3k17 s ILE 325 N -1.78 1.18 0.10 0.90 -5.25 0.97 -1.43 121.20 115.90 3k17 s ILE 325 Ca 0.05 -2.04 -0.23 0.00 -0.99 0.00 0.00 60.65 57.44 3k17 s ILE 325 Cb -0.07 -2.52 0.06 0.00 2.95 0.00 0.00 42.46 42.88 3k17 s ILE 325 CO 0.03 -0.20 0.57 0.00 -1.79 0.00 0.00 174.94 173.54 3k17 s ALA 326 N -3.31 -1.47 -0.02 2.27 0.00 -0.47 -1.07 121.76 117.68 3k17 s ALA 326 Ca 0.32 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.89 3k17 s ALA 326 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3k17 s ALA 326 CO 0.12 -0.64 -0.23 -0.06 0.00 0.00 0.00 175.76 174.95 3k17 s PHE 327 N -3.14 2.05 0.11 0.00 0.08 -0.30 -0.54 117.98 116.23 3k17 s PHE 327 Ca -0.02 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.69 3k17 s PHE 327 Cb -0.00 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 3k17 s PHE 327 CO -0.07 -0.05 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.70 3k17 s SER 328 N -0.48 2.25 0.46 1.36 0.01 0.01 -2.40 113.70 114.91 3k17 s SER 328 Ca 0.07 -0.72 0.15 0.00 1.31 0.00 0.00 55.95 56.76 3k17 s SER 328 Cb -0.09 -0.11 1.07 0.00 0.21 0.00 0.00 66.02 67.10 3k17 s SER 328 CO -0.00 -0.03 2.02 0.11 0.41 0.00 0.00 173.24 175.74 3k17 h LYS 329 N 3.88 0.00 -3.86 12.44 1.57 -1.89 -1.83 116.57 126.89 3k17 h LYS 329 Ca -0.43 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 3k17 h LYS 329 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 3k17 h LYS 329 CO 0.44 0.16 -0.27 0.95 -0.57 0.00 0.00 179.45 180.15 3k17 s THR 330 N -4.66 0.04 0.21 -0.16 -4.23 -1.26 -4.78 115.64 100.80 3k17 s THR 330 Ca -0.04 -1.42 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 3k17 s THR 330 Cb 0.16 -2.00 0.11 0.00 1.34 0.00 0.00 72.50 72.11 3k17 s THR 330 CO 0.69 -0.16 1.72 0.11 -0.54 0.00 0.00 174.62 176.43 3k17 h LYS 331 N 2.44 1.05 -0.64 3.99 1.57 -1.97 -1.01 116.57 122.00 3k17 h LYS 331 Ca -0.30 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3k17 h LYS 331 Cb 1.24 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3k17 h LYS 331 CO 0.44 0.96 0.42 0.93 -0.57 0.00 0.00 179.45 181.63 3k17 h GLU 332 N 0.99 0.85 -0.21 3.15 3.07 -1.99 0.36 114.58 120.80 3k17 h GLU 332 Ca 0.20 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 3k17 h GLU 332 Cb 0.41 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3k17 h GLU 332 CO 0.01 0.57 -0.29 -0.07 -1.40 0.00 0.00 179.01 177.83 3k17 h LEU 333 N 0.87 0.42 -0.76 1.33 3.38 -1.91 -1.61 115.31 117.04 3k17 h LEU 333 Ca 0.23 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3k17 h LEU 333 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3k17 h LEU 333 CO -0.05 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3k17 h ALA 334 N 1.33 0.96 -0.25 1.53 0.00 0.10 -0.03 119.26 122.90 3k17 h ALA 334 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3k17 h ALA 334 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3k17 h ALA 334 CO 0.05 0.63 0.07 0.93 0.00 0.00 0.00 179.25 180.93 3k17 h GLU 335 N 0.88 0.39 -0.41 0.00 5.08 0.18 -1.30 114.58 119.39 3k17 h GLU 335 Ca 0.16 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3k17 h GLU 335 Cb 0.51 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3k17 h GLU 335 CO 0.03 0.48 0.11 0.87 -1.00 0.00 0.00 179.01 179.50 3k17 h LYS 336 N 0.23 0.61 -0.20 2.33 1.57 -1.02 -1.05 116.57 119.03 3k17 h LYS 336 Ca 0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3k17 h LYS 336 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3k17 h LYS 336 CO -0.00 0.55 0.05 1.25 -0.57 0.00 0.00 179.45 180.73 3k17 h LEU 337 N 0.60 0.30 -0.39 2.94 5.85 -0.67 -2.15 115.31 121.78 3k17 h LEU 337 Ca 0.14 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3k17 h LEU 337 Cb 0.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3k17 h LEU 337 CO -0.01 0.45 0.21 0.58 -0.34 0.00 0.00 178.44 179.34 3k17 h VAL 338 N 0.15 1.01 -0.69 1.05 2.07 -0.78 -1.04 116.25 118.01 3k17 h VAL 338 Ca 0.06 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3k17 h VAL 338 Cb 0.26 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3k17 h VAL 338 CO -0.00 0.08 0.35 0.78 0.02 0.00 0.00 177.57 178.80 3k17 h ASN 339 N 0.43 0.48 -0.41 0.57 -0.26 -1.04 -1.48 115.58 113.88 3k17 h ASN 339 Ca 0.16 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.93 3k17 h ASN 339 Cb 0.04 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 3k17 h ASN 339 CO -0.10 0.29 0.18 -0.33 -1.06 0.00 0.00 177.43 176.42 3k17 h GLU 340 N 0.62 0.60 -0.10 0.81 4.39 -0.84 -2.61 114.58 117.47 3k17 h GLU 340 Ca 0.33 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.97 3k17 h GLU 340 Cb 0.30 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 3k17 h GLU 340 CO -0.24 0.54 -0.20 -1.49 -1.16 0.00 0.00 179.01 176.47 3k17 h TRP 341 N 0.52 -0.52 -0.87 4.33 6.55 -0.34 -1.60 115.95 124.02 3k17 h TRP 341 Ca 0.14 0.02 0.10 0.00 0.95 0.00 0.00 58.89 60.10 3k17 h TRP 341 Cb 0.15 0.24 -0.07 0.00 -0.86 0.00 0.00 29.16 28.62 3k17 h TRP 341 CO -0.01 -0.28 0.52 0.93 -1.05 0.00 0.00 178.44 178.55 3k17 h GLU 342 N -0.27 0.84 -0.47 0.49 5.08 -1.21 0.56 114.58 119.59 3k17 h GLU 342 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3k17 h GLU 342 Cb 0.39 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3k17 h GLU 342 CO -0.25 0.55 0.25 0.87 -1.00 0.00 0.00 179.01 179.43 3k17 h LYS 343 N 0.86 0.64 0.00 2.33 1.57 -1.00 -1.81 116.57 119.16 3k17 h LYS 343 Ca 0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3k17 h LYS 343 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3k17 h LYS 343 CO -0.24 0.48 0.00 -0.07 -0.57 0.00 0.00 179.45 179.05 3k17 h LEU 344 N 0.65 0.00 0.00 2.94 3.38 -0.02 -3.47 115.31 118.80 3k17 h LEU 344 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3k17 h LEU 344 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k17 h LEU 344 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 3k17 n GLY 345 N 0.82 1.28 3.77 0.83 0.00 -0.45 -5.07 105.19 106.38 3k17 n GLY 345 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 4.99 -0.37 -0.61 1.01 -0.32 -4.11 121.20 119.79 3k17 s ILE 346 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.51 3k17 s ILE 346 Cb 0.00 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3k17 s ILE 346 CO 0.00 0.45 0.62 -0.75 0.00 0.00 0.00 174.94 175.26 3k17 s LYS 347 N -0.29 3.58 0.25 2.79 2.20 -0.52 -3.39 119.74 124.37 3k17 s LYS 347 Ca 0.27 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 3k17 s LYS 347 Cb -0.17 -3.84 -0.09 0.00 -1.51 0.00 0.00 37.83 32.22 3k17 s LYS 347 CO 0.14 -0.79 1.24 -1.58 -0.36 0.00 0.00 175.35 174.01 3k17 s HIS 348 N 2.70 3.30 -0.41 4.03 5.65 -1.26 -0.48 115.29 128.82 3k17 s HIS 348 Ca 0.23 1.42 0.03 0.00 0.25 0.00 0.00 55.06 56.99 3k17 s HIS 348 Cb -0.14 -3.53 0.11 0.00 -1.18 0.00 0.00 32.58 27.84 3k17 s HIS 348 CO 0.16 -1.47 0.14 -0.51 -0.65 0.00 0.00 174.74 172.41 3k17 s LEU 349 N -0.93 4.12 -0.25 8.88 1.43 -0.54 -4.91 118.68 126.48 3k17 s LEU 349 Ca 0.51 -2.43 -0.42 0.00 -1.03 0.00 0.00 54.13 50.75 3k17 s LEU 349 Cb -0.36 -1.49 -0.19 0.00 0.03 0.00 0.00 46.19 44.19 3k17 s LEU 349 CO 0.43 -0.32 1.47 -2.65 0.23 0.00 0.00 176.35 175.51 3k17 n PRO 350 N 3.87 0.42 -4.12 1.29 -0.02 -1.26 -4.29 135.00 130.88 3k17 n PRO 350 Ca 0.04 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.36 3k17 n PRO 350 Cb 0.38 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.09 3.19 -0.20 6.00 5.36 -1.26 -4.95 117.98 128.21 3k17 s PHE 351 Ca 0.97 0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.89 3k17 s PHE 351 Cb -1.27 -1.67 0.05 0.00 -0.34 0.00 0.00 43.02 39.79 3k17 s PHE 351 CO 0.68 0.52 0.52 -1.01 -1.46 0.00 0.00 175.22 174.46 3k17 s HIS 352 N -1.25 -0.60 0.28 10.12 3.76 -1.26 -5.04 115.29 121.31 3k17 s HIS 352 Ca 0.25 1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 56.27 3k17 s HIS 352 Cb -0.12 0.22 -0.13 0.00 1.11 0.00 0.00 32.58 33.67 3k17 s HIS 352 CO 0.16 -0.29 1.45 2.41 -0.85 0.00 0.00 174.74 177.62 3k17 n THR 353 N 3.01 1.21 -3.22 1.30 -1.04 -1.26 -0.80 114.28 113.48 3k17 n THR 353 Ca -0.15 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 3k17 n THR 353 Cb 0.56 -1.66 -0.06 0.00 -1.82 0.00 0.00 70.33 67.35 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 0.22 2.31 -0.02 3.41 0.00 -0.41 -4.33 107.32 108.50 3k17 s GLY 354 Ca 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3k17 s GLY 354 CO 0.52 0.13 -0.00 0.50 0.00 0.00 0.00 173.10 174.25 3k17 s ARG 355 N -2.95 0.20 0.24 2.90 1.81 -1.26 -1.17 118.95 118.72 3k17 s ARG 355 Ca 0.52 0.04 -0.30 0.00 -1.72 0.00 0.00 55.73 54.27 3k17 s ARG 355 Cb -0.10 -0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 33.96 3k17 s ARG 355 CO 0.19 -0.08 1.47 0.08 -0.68 0.00 0.00 175.30 176.28 3k17 s VAL 356 N 0.66 2.60 -0.13 3.52 1.01 -1.26 -4.63 120.40 122.18 3k17 s VAL 356 Ca -0.06 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3k17 s VAL 356 Cb -0.09 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3k17 s VAL 356 CO -0.01 0.07 -0.03 -1.10 0.00 0.00 0.00 175.10 174.03 3k17 s GLN 357 N -0.14 1.07 -0.21 2.72 -0.21 -0.67 -5.01 119.66 117.21 3k17 s GLN 357 Ca 0.61 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.77 3k17 s GLN 357 Cb -0.43 -1.58 0.03 0.00 1.00 0.00 0.00 33.01 32.04 3k17 s GLN 357 CO 0.42 -0.38 -0.16 0.42 -2.12 0.00 0.00 175.29 173.47 3k17 s ILE 358 N 1.80 2.19 -0.00 1.08 1.01 -1.26 -0.71 121.20 125.30 3k17 s ILE 358 Ca 0.03 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3k17 s ILE 358 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3k17 s ILE 358 CO -0.07 0.38 -0.11 0.42 0.00 0.00 0.00 174.94 175.56 3k17 s THR 359 N 1.25 0.84 -0.50 2.92 -4.23 -0.65 -5.02 115.64 110.25 3k17 s THR 359 Ca 0.01 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 3k17 s THR 359 Cb -0.15 -0.72 0.44 0.00 1.34 0.00 0.00 72.50 73.42 3k17 s THR 359 CO -0.10 0.18 1.59 -0.62 -0.54 0.00 0.00 174.62 175.13 3k17 n GLU 360 N 2.66 3.16 0.00 3.99 1.02 -1.26 -0.63 120.64 129.58 3k17 n GLU 360 Ca -0.14 -3.79 0.14 0.00 -0.02 0.00 0.00 57.16 53.34 3k17 n GLU 360 Cb 0.56 -2.28 0.43 0.00 -0.02 0.00 0.00 31.44 30.13 3k17 n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72