#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n ARG 5 N 0.00 0.00 -0.34 -4.13 0.63 -1.26 0.11 116.66 111.67 3hye n ARG 5 Ca 0.00 0.00 0.30 0.00 -0.92 0.00 0.00 57.85 57.23 3hye n ARG 5 Cb 0.00 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.54 3hye n ARG 5 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3hye h ASN 6 N 0.00 0.23 0.61 6.15 -1.24 -2.07 0.41 115.58 119.67 3hye h ASN 6 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3hye h ASN 6 Cb 0.00 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.07 3hye h ASN 6 CO 0.00 0.02 -0.18 0.59 -1.29 0.00 0.00 177.43 176.57 3hye n ASN 7 N -4.43 0.33 0.00 1.15 5.03 0.30 -3.99 115.26 113.64 3hye n ASN 7 Ca 0.27 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.58 3hye n ASN 7 Cb 1.10 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.74 3hye n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3hye n TYR 8 N -1.28 0.00 -0.98 3.10 4.01 0.13 -4.74 117.16 117.40 3hye n TYR 8 Ca 0.10 -0.34 0.09 0.00 -0.16 0.00 0.00 57.90 57.58 3hye n TYR 8 Cb 0.31 -0.03 0.20 0.00 -0.31 0.00 0.00 39.34 39.51 3hye n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3hye n ASP 9 N -0.34 3.21 0.23 7.72 3.85 -0.55 -4.54 116.55 126.13 3hye n ASP 9 Ca 0.00 -3.00 0.13 0.00 -0.71 0.00 0.00 54.79 51.20 3hye n ASP 9 Cb 0.31 -0.48 0.40 0.00 -1.35 0.00 0.00 41.12 40.00 3hye n ASP 9 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3hye h GLY 10 N 1.05 0.00 -3.51 6.12 0.00 -1.85 -3.41 103.07 101.47 3hye h GLY 10 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3hye h GLY 10 CO 0.12 0.00 0.50 0.51 0.00 0.00 0.00 176.54 177.68 3hye s ASP 11 N -6.04 -0.36 0.24 0.19 1.47 -1.26 -5.04 116.67 105.86 3hye s ASP 11 Ca 0.03 0.06 0.20 0.00 1.18 0.00 0.00 52.55 54.03 3hye s ASP 11 Cb 0.08 0.37 0.95 0.00 -0.34 0.00 0.00 42.92 43.98 3hye s ASP 11 CO 0.62 -0.58 1.62 0.41 0.68 0.00 0.00 175.17 177.93 3hye n THR 12 N -0.10 1.00 1.27 2.11 -1.04 -1.26 -2.70 114.28 113.56 3hye n THR 12 Ca -0.09 0.43 0.06 0.00 -2.04 0.00 0.00 64.05 62.41 3hye n THR 12 Cb 0.61 -1.38 0.19 0.00 -1.82 0.00 0.00 70.33 67.93 3hye n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3hye n VAL 13 N -2.13 0.29 -4.84 12.58 3.14 -1.26 -4.56 118.33 121.54 3hye n VAL 13 Ca 0.01 -0.31 -0.32 0.00 -2.96 0.00 0.00 64.34 60.75 3hye n VAL 13 Cb 0.14 0.17 -0.16 0.00 -1.06 0.00 0.00 33.84 32.92 3hye n VAL 13 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3hye s THR 14 N -1.71 2.26 0.13 1.55 2.01 -1.10 -5.05 115.64 113.73 3hye s THR 14 Ca 0.20 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.10 3hye s THR 14 Cb 0.11 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 3hye s THR 14 CO 0.15 0.54 0.61 -0.36 -0.69 0.00 0.00 174.62 174.87 3hye s PHE 15 N 0.62 3.71 0.70 4.92 0.08 -1.26 -4.65 117.98 122.09 3hye s PHE 15 Ca -0.11 1.25 -0.08 0.00 0.12 0.00 0.00 56.93 58.11 3hye s PHE 15 Cb -0.16 -2.50 0.05 0.00 -0.57 0.00 0.00 43.02 39.84 3hye s PHE 15 CO 0.03 0.48 1.02 -1.54 -0.10 0.00 0.00 175.22 175.11 3hye s SER 16 N -1.43 4.98 0.64 1.36 1.04 -0.08 -4.91 113.70 115.31 3hye s SER 16 Ca 0.35 0.61 0.38 0.00 0.48 0.00 0.00 55.95 57.77 3hye s SER 16 Cb -0.18 -1.31 2.10 0.00 0.10 0.00 0.00 66.02 66.73 3hye s SER 16 CO 0.20 -1.51 2.25 -0.65 0.98 0.00 0.00 173.24 174.50 3hye h PRO 17 N -0.58 0.00 -0.15 4.02 0.11 -1.98 -0.49 132.00 132.93 3hye h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hye h PRO 17 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3hye n THR 18 N -3.28 0.17 -0.66 -1.15 -2.24 -1.26 -4.93 114.28 100.93 3hye n THR 18 Ca -0.02 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3hye n THR 18 Cb 0.16 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3hye n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 19 N 1.30 0.77 3.96 3.38 0.00 -0.19 -5.08 105.19 109.33 3hye n GLY 19 Ca 0.17 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 3hye n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hye s ARG 20 N -1.42 3.44 -0.51 1.61 0.52 -1.26 -4.80 118.95 116.53 3hye s ARG 20 Ca 0.00 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 3hye s ARG 20 Cb 0.00 -2.92 0.13 0.00 0.52 0.00 0.00 34.95 32.68 3hye s ARG 20 CO 0.00 0.46 0.26 -0.51 0.02 0.00 0.00 175.30 175.54 3hye s LEU 21 N -3.63 4.17 0.20 2.53 1.43 -1.26 -0.90 118.68 121.23 3hye s LEU 21 Ca 0.35 -2.99 -0.10 0.00 -1.03 0.00 0.00 54.13 50.35 3hye s LEU 21 Cb -0.10 -1.59 0.21 0.00 0.03 0.00 0.00 46.19 44.75 3hye s LEU 21 CO 0.29 -0.23 1.81 -0.26 0.23 0.00 0.00 176.35 178.19 3hye h PHE 22 N 6.50 0.65 -0.90 0.29 0.04 -1.83 -1.84 116.94 119.86 3hye h PHE 22 Ca -0.07 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.84 3hye h PHE 22 Cb 0.89 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 3hye h PHE 22 CO 0.52 0.32 0.58 1.96 -0.60 0.00 0.00 178.31 181.09 3hye h GLN 23 N 0.67 0.80 -0.37 1.51 1.08 -1.84 0.44 115.11 117.39 3hye h GLN 23 Ca 0.28 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.35 3hye h GLN 23 Cb 0.15 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3hye h GLN 23 CO -0.17 0.53 -0.07 0.28 -0.95 0.00 0.00 178.83 178.45 3hye h VAL 24 N 0.82 1.27 -0.44 -0.54 2.07 -1.75 -1.76 116.25 115.91 3hye h VAL 24 Ca 0.43 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3hye h VAL 24 Cb 0.53 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3hye h VAL 24 CO -0.20 0.38 0.01 -0.33 0.02 0.00 0.00 177.57 177.45 3hye h GLU 25 N 0.51 0.71 -0.19 1.57 5.08 -0.24 -0.87 114.58 121.16 3hye h GLU 25 Ca 0.10 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3hye h GLU 25 Cb 0.58 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3hye h GLU 25 CO 0.03 0.72 -0.33 1.88 -1.00 0.00 0.00 179.01 180.32 3hye h TYR 26 N 0.67 0.43 -0.39 4.33 -1.99 -0.06 -2.02 116.97 117.95 3hye h TYR 26 Ca 0.14 -0.10 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 3hye h TYR 26 Cb 0.40 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3hye h TYR 26 CO 0.02 0.67 0.01 0.00 -0.00 0.00 0.00 178.16 178.85 3hye h ALA 27 N 1.33 0.53 -0.16 3.88 0.00 -0.68 -1.98 119.26 122.17 3hye h ALA 27 Ca 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hye h ALA 27 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hye h ALA 27 CO 0.06 0.30 0.13 -0.07 0.00 0.00 0.00 179.25 179.67 3hye h LEU 28 N 0.52 0.00 -1.09 0.00 4.07 -0.70 -0.50 115.31 117.61 3hye h LEU 28 Ca 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 3hye h LEU 28 Cb 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3hye h LEU 28 CO 0.02 0.00 -0.45 -0.08 -1.08 0.00 0.00 178.44 176.85 3hye h GLU 29 N 0.00 0.00 0.00 1.13 4.57 -0.65 -2.41 114.58 117.22 3hye h GLU 29 Ca 0.08 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3hye h GLU 29 Cb 0.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3hye h GLU 29 CO -0.00 0.45 -0.27 0.00 -1.18 0.00 0.00 179.01 178.01 3hye h ALA 30 N 1.55 1.51 -0.07 2.92 0.00 -0.96 -2.51 119.26 121.70 3hye h ALA 30 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hye h ALA 30 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hye h ALA 30 CO 0.06 0.33 -0.06 0.82 0.00 0.00 0.00 179.25 180.40 3hye h ILE 31 N 0.00 1.35 -0.50 0.00 2.04 -1.45 -2.93 117.51 116.02 3hye h ILE 31 Ca -0.00 -1.16 0.10 0.00 1.00 0.00 0.00 64.86 64.80 3hye h ILE 31 Cb 0.49 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3hye h ILE 31 CO 0.03 0.32 0.34 0.11 0.00 0.00 0.00 178.15 178.96 3hye h LYS 32 N -0.24 0.22 0.00 2.37 6.56 -1.37 0.38 116.57 124.48 3hye h LYS 32 Ca 0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hye h LYS 32 Cb 0.54 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3hye h LYS 32 CO 0.02 0.14 0.00 0.94 -2.06 0.00 0.00 179.45 178.49 3hye n GLN 33 N -4.45 0.49 -2.61 3.15 7.27 -0.97 -2.14 117.38 118.12 3hye n GLN 33 Ca 0.08 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.85 3hye n GLN 33 Cb 0.41 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.54 3hye n GLN 33 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3hye s GLY 34 N -2.51 1.89 0.52 1.69 0.00 0.13 -4.80 107.32 104.25 3hye s GLY 34 Ca 0.31 -0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.67 3hye s GLY 34 CO 0.45 0.09 1.34 -0.45 0.00 0.00 0.00 173.10 174.53 3hye s SER 35 N -3.36 5.48 0.55 1.64 0.15 -1.26 0.60 113.70 117.51 3hye s SER 35 Ca 0.53 2.72 -0.20 0.00 0.70 0.00 0.00 55.95 59.70 3hye s SER 35 Cb -0.10 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 3hye s SER 35 CO 0.35 -1.42 1.18 0.54 1.20 0.00 0.00 173.24 175.09 3hye s VAL 36 N -1.32 2.90 -0.04 4.45 0.11 -1.26 -4.50 120.40 120.73 3hye s VAL 36 Ca 0.69 0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 60.19 3hye s VAL 36 Cb -0.39 -3.25 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 3hye s VAL 36 CO 0.47 -0.10 0.29 0.28 -3.33 0.00 0.00 175.10 172.71 3hye s THR 37 N -1.64 0.05 0.13 5.04 -1.32 -0.59 -1.65 115.64 115.65 3hye s THR 37 Ca 0.73 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.90 3hye s THR 37 Cb -0.28 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 3hye s THR 37 CO 0.31 -0.21 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.65 3hye s VAL 38 N -0.97 1.55 -0.03 5.08 1.01 0.40 -2.03 120.40 125.41 3hye s VAL 38 Ca -0.10 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 3hye s VAL 38 Cb -0.05 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3hye s VAL 38 CO 0.03 -0.28 0.08 -0.83 0.00 0.00 0.00 175.10 174.10 3hye s GLY 39 N -2.32 -0.03 0.03 4.51 0.00 0.15 -0.55 107.32 109.10 3hye s GLY 39 Ca 0.09 0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.88 3hye s GLY 39 CO 0.04 0.38 0.54 0.48 0.00 0.00 0.00 173.10 174.54 3hye s LEU 40 N 0.35 -0.16 0.06 0.66 2.34 -0.77 0.05 118.68 121.20 3hye s LEU 40 Ca -0.03 0.28 -0.05 0.00 0.06 0.00 0.00 54.13 54.39 3hye s LEU 40 Cb -0.04 2.18 -0.02 0.00 -0.56 0.00 0.00 46.19 47.75 3hye s LEU 40 CO -0.01 -0.69 0.09 0.00 -1.06 0.00 0.00 176.35 174.68 3hye s ARG 41 N -2.14 0.68 0.00 1.48 1.70 0.08 0.27 118.95 121.03 3hye s ARG 41 Ca -0.07 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 3hye s ARG 41 Cb -0.01 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 3hye s ARG 41 CO 0.01 -0.18 0.00 -1.13 -1.08 0.00 0.00 175.30 172.92 3hye n SER 42 N 0.28 0.00 -0.09 -2.89 3.41 -0.05 -4.40 113.62 109.88 3hye n SER 42 Ca -0.16 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.51 3hye n SER 42 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 3hye n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hye n ASN 43 N 0.00 0.84 -0.02 4.04 3.02 -1.26 -4.57 115.26 117.32 3hye n ASN 43 Ca 0.00 -0.92 -0.01 0.00 -0.03 0.00 0.00 54.58 53.61 3hye n ASN 43 Cb 0.00 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 39.95 3hye n ASN 43 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hye n THR 44 N -0.93 0.30 -4.27 3.41 -2.24 -1.26 -4.21 114.28 105.08 3hye n THR 44 Ca 0.03 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3hye n THR 44 Cb 0.22 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 3hye n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hye s HIS 45 N -2.23 1.37 -0.03 4.78 3.76 -1.26 -1.55 115.29 120.14 3hye s HIS 45 Ca -0.03 -1.27 -0.01 0.00 -0.15 0.00 0.00 55.06 53.60 3hye s HIS 45 Cb 0.02 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 32.98 3hye s HIS 45 CO 0.25 -0.47 0.06 0.00 -0.85 0.00 0.00 174.74 173.73 3hye s ALA 46 N -3.93 -0.08 0.03 -1.40 0.00 -0.56 -0.87 121.76 114.96 3hye s ALA 46 Ca 0.38 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.67 3hye s ALA 46 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3hye s ALA 46 CO 0.13 -0.07 -0.18 0.08 0.00 0.00 0.00 175.76 175.72 3hye s VAL 47 N 0.52 1.41 -0.10 0.00 1.01 0.14 -2.21 120.40 121.17 3hye s VAL 47 Ca -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.91 3hye s VAL 47 Cb -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3hye s VAL 47 CO -0.02 0.15 -0.22 -0.76 0.00 0.00 0.00 175.10 174.26 3hye s LEU 48 N -1.06 2.03 -0.12 3.92 1.43 0.73 -1.85 118.68 123.75 3hye s LEU 48 Ca 0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3hye s LEU 48 Cb -0.08 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.82 3hye s LEU 48 CO 0.01 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 3hye s VAL 49 N 0.50 1.32 -0.01 -1.59 1.01 0.28 -0.63 120.40 121.29 3hye s VAL 49 Ca -0.16 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3hye s VAL 49 Cb -0.17 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3hye s VAL 49 CO 0.06 0.41 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 3hye s ALA 50 N 1.44 1.00 -0.44 5.51 0.00 0.49 0.15 121.76 129.91 3hye s ALA 50 Ca 0.02 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.24 3hye s ALA 50 Cb -0.13 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3hye s ALA 50 CO -0.07 0.24 0.76 -1.17 0.00 0.00 0.00 175.76 175.51 3hye s LEU 51 N -0.27 4.30 0.12 0.00 2.96 -0.66 -1.94 118.68 123.20 3hye s LEU 51 Ca 0.04 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.51 3hye s LEU 51 Cb -0.05 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 3hye s LEU 51 CO -0.00 -0.88 0.98 -0.54 -1.32 0.00 0.00 176.35 174.59 3hye s LYS 52 N 3.19 4.68 -0.05 1.98 1.02 -0.57 -4.54 119.74 125.44 3hye s LYS 52 Ca 0.28 1.49 -0.03 0.00 0.02 0.00 0.00 55.97 57.73 3hye s LYS 52 Cb -0.13 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3hye s LYS 52 CO 0.22 0.19 0.11 0.50 -0.92 0.00 0.00 175.35 175.45 3hye s ARG 53 N -0.03 3.26 0.17 1.68 3.52 -1.26 -4.86 118.95 121.43 3hye s ARG 53 Ca 0.47 -0.33 0.10 0.00 -0.13 0.00 0.00 55.73 55.85 3hye s ARG 53 Cb -0.24 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3hye s ARG 53 CO 0.30 0.70 -0.16 0.54 -0.81 0.00 0.00 175.30 175.87 3hye s ASN 54 N -1.46 3.89 0.00 -2.12 4.22 -1.26 -1.74 114.94 116.46 3hye s ASN 54 Ca 0.20 -0.67 0.00 0.00 -2.14 0.00 0.00 52.86 50.25 3hye s ASN 54 Cb -0.12 -0.52 0.00 0.00 1.28 0.00 0.00 41.25 41.89 3hye s ASN 54 CO 0.11 0.13 0.11 0.00 -2.04 0.00 0.00 177.10 175.40 3hye n ALA 55 N 0.30 -0.05 -3.82 3.54 0.00 -1.26 -4.98 120.51 114.23 3hye n ALA 55 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 3hye n ALA 55 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 3hye n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hye n ASP 56 N -1.77 2.38 -0.57 0.00 9.92 -1.26 -4.98 116.55 120.27 3hye n ASP 56 Ca 0.00 -2.47 0.09 0.00 -0.53 0.00 0.00 54.79 51.88 3hye n ASP 56 Cb 0.00 -0.02 0.33 0.00 -0.64 0.00 0.00 41.12 40.79 3hye n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hye n GLU 57 N -1.48 1.74 0.00 -1.24 4.71 -1.26 -2.73 120.64 120.38 3hye n GLU 57 Ca -0.02 -1.12 0.06 0.00 -0.01 0.00 0.00 57.16 56.07 3hye n GLU 57 Cb 0.48 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 3hye n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hye n LEU 58 N 0.36 1.40 -4.99 -4.62 4.32 -1.26 -5.01 117.00 107.19 3hye n LEU 58 Ca 0.15 -0.79 -0.18 0.00 -0.02 0.00 0.00 56.01 55.17 3hye n LEU 58 Cb 0.32 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.13 3hye n LEU 58 CO 0.12 0.27 0.17 -0.94 -1.22 0.00 0.00 177.39 175.79 3hye s SER 59 N -1.47 5.43 0.51 -1.43 1.04 -1.11 -5.12 113.70 111.55 3hye s SER 59 Ca 0.10 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 3hye s SER 59 Cb 0.10 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3hye s SER 59 CO 0.28 -0.88 0.74 -0.94 0.98 0.00 0.00 173.24 173.43 3hye s SER 60 N -4.38 5.58 -0.45 7.02 1.04 -1.26 -4.81 113.70 116.44 3hye s SER 60 Ca 0.55 0.23 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 3hye s SER 60 Cb -0.08 -1.30 0.04 0.00 0.10 0.00 0.00 66.02 64.77 3hye s SER 60 CO 0.33 -0.92 0.44 -0.31 0.98 0.00 0.00 173.24 173.77 3hye s TYR 63 N -2.69 3.17 0.01 5.02 1.51 -1.26 -4.09 117.35 119.03 3hye s TYR 63 Ca 0.52 -0.55 -0.37 0.00 -1.01 0.00 0.00 57.07 55.67 3hye s TYR 63 Cb -0.10 -3.02 -0.16 0.00 -0.11 0.00 0.00 41.96 38.57 3hye s TYR 63 CO 0.39 -0.76 1.49 0.94 -1.11 0.00 0.00 175.55 176.50 3hye n GLN 64 N 5.56 1.36 -1.77 -0.62 7.27 -0.71 -4.80 117.38 123.67 3hye n GLN 64 Ca -0.09 0.49 -0.41 0.00 0.07 0.00 0.00 57.00 57.06 3hye n GLN 64 Cb 0.46 -2.17 -0.01 0.00 2.41 0.00 0.00 30.24 30.93 3hye n GLN 64 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3hye n LYS 65 N 3.48 2.72 0.00 3.69 2.85 -1.26 -4.37 118.16 125.27 3hye n LYS 65 Ca 0.20 0.96 0.00 0.00 -1.05 0.00 0.00 58.31 58.42 3hye n LYS 65 Cb 0.20 -2.72 0.00 0.00 -0.65 0.00 0.00 35.03 31.86 3hye n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hye n LYS 66 N 1.08 0.03 -5.10 -1.58 4.76 -1.26 -5.00 118.16 111.09 3hye n LYS 66 Ca 0.04 -0.70 -0.31 0.00 -2.87 0.00 0.00 58.31 54.47 3hye n LYS 66 Cb 0.38 -0.95 -0.17 0.00 -1.84 0.00 0.00 35.03 32.45 3hye n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hye s ILE 67 N -0.23 1.97 -0.06 -0.18 1.01 -1.26 -1.06 121.20 121.38 3hye s ILE 67 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3hye s ILE 67 Cb 0.00 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3hye s ILE 67 CO 0.00 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 3hye s ILE 68 N 0.42 1.47 -0.09 2.92 1.01 -0.21 -4.99 121.20 121.74 3hye s ILE 68 Ca -0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.56 3hye s ILE 68 Cb -0.18 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3hye s ILE 68 CO 0.07 0.43 0.63 -0.75 0.00 0.00 0.00 174.94 175.32 3hye s LYS 69 N 0.34 4.40 -0.08 2.79 2.20 -1.26 -0.79 119.74 127.33 3hye s LYS 69 Ca -0.11 0.75 0.18 0.00 -0.36 0.00 0.00 55.97 56.43 3hye s LYS 69 Cb -0.15 -3.45 -0.27 0.00 -1.51 0.00 0.00 37.83 32.45 3hye s LYS 69 CO 0.04 0.08 0.29 0.00 -0.36 0.00 0.00 175.35 175.40 3hye s ASP 71 N -4.61 0.00 0.48 0.00 3.68 -0.89 -4.41 116.67 110.92 3hye s ASP 71 Ca -0.08 -0.66 0.32 0.00 2.13 0.00 0.00 52.55 54.26 3hye s ASP 71 Cb 0.10 0.49 1.52 0.00 -1.45 0.00 0.00 42.92 43.57 3hye s ASP 71 CO 0.78 -0.98 1.97 -0.33 0.13 0.00 0.00 175.17 176.74 3hye h GLU 72 N 2.00 0.00 0.00 4.34 4.39 -1.97 -2.98 114.58 120.37 3hye h GLU 72 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3hye h GLU 72 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3hye h GLU 72 CO 0.36 0.00 -0.01 -2.39 -1.16 0.00 0.00 179.01 175.81 3hye n HIS 73 N -2.76 0.00 -3.68 4.33 1.44 -1.26 -0.92 115.22 112.37 3hye n HIS 73 Ca -0.00 -0.57 -0.15 0.00 -2.01 0.00 0.00 57.72 54.99 3hye n HIS 73 Cb 0.19 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.15 3hye n HIS 73 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3hye s MET 74 N -1.34 0.79 0.12 -1.40 -2.45 -1.13 -2.00 119.30 111.89 3hye s MET 74 Ca 0.07 0.01 -0.25 0.00 -1.25 0.00 0.00 55.69 54.27 3hye s MET 74 Cb 0.06 0.36 0.08 0.00 1.25 0.00 0.00 34.83 36.59 3hye s MET 74 CO 0.01 -0.23 1.09 0.20 1.05 0.00 0.00 175.02 177.14 3hye s GLY 75 N -1.19 -0.11 0.23 2.11 0.00 -0.90 -1.05 107.32 106.41 3hye s GLY 75 Ca -0.12 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.50 3hye s GLY 75 CO 0.06 1.61 0.47 0.48 0.00 0.00 0.00 173.10 175.72 3hye s LEU 76 N -3.23 0.33 0.06 0.66 2.34 0.03 -1.51 118.68 117.36 3hye s LEU 76 Ca 0.18 -0.86 0.09 0.00 0.06 0.00 0.00 54.13 53.61 3hye s LEU 76 Cb -0.01 1.79 -0.03 0.00 -0.56 0.00 0.00 46.19 47.38 3hye s LEU 76 CO 0.02 -1.11 -0.26 -0.94 -1.06 0.00 0.00 176.35 173.00 3hye s SER 77 N -2.99 3.12 0.22 1.48 1.04 0.27 -1.04 113.70 115.80 3hye s SER 77 Ca 0.20 -0.62 0.10 0.00 0.48 0.00 0.00 55.95 56.11 3hye s SER 77 Cb -0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 3hye s SER 77 CO 0.07 0.23 -0.11 -1.48 0.98 0.00 0.00 173.24 172.93 3hye s LEU 78 N -1.43 2.89 -0.26 2.42 0.05 -0.22 -0.81 118.68 121.32 3hye s LEU 78 Ca 0.12 -0.72 -0.01 0.00 0.05 0.00 0.00 54.13 53.57 3hye s LEU 78 Cb -0.10 -1.50 0.14 0.00 -2.05 0.00 0.00 46.19 42.68 3hye s LEU 78 CO 0.03 0.07 0.39 0.00 -0.55 0.00 0.00 176.35 176.29 3hye s ALA 79 N -2.02 -1.14 0.00 1.48 0.00 -0.56 -4.90 121.76 114.62 3hye s ALA 79 Ca 0.27 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3hye s ALA 79 Cb -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3hye s ALA 79 CO 0.16 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3hye n GLY 80 N 5.36 0.33 3.62 0.00 0.00 -1.26 -0.86 105.19 112.38 3hye n GLY 80 Ca -0.02 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3hye n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 81 N 0.00 3.81 0.20 0.99 1.43 0.69 -4.89 118.68 120.91 3hye s LEU 81 Ca 0.00 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 3hye s LEU 81 Cb 0.00 -3.53 0.14 0.00 0.03 0.00 0.00 46.19 42.83 3hye s LEU 81 CO 0.00 -1.33 1.85 0.00 0.23 0.00 0.00 176.35 177.10 3hye h ALA 82 N 11.02 0.85 -0.92 4.21 0.00 -1.96 -2.52 119.26 129.94 3hye h ALA 82 Ca -0.33 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.62 3hye h ALA 82 Cb 1.15 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hye h ALA 82 CO 1.01 0.21 0.59 -1.35 0.00 0.00 0.00 179.25 179.72 3hye h PRO 83 N 0.84 0.99 0.00 0.00 0.11 -1.99 -0.32 132.00 131.63 3hye h PRO 83 Ca 0.25 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 3hye h PRO 83 Cb -0.04 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3hye h PRO 83 CO -0.08 0.65 -0.36 -0.44 -0.21 0.00 0.00 178.00 177.56 3hye h ASP 84 N 1.02 0.00 -0.19 -2.05 3.45 -1.85 -1.50 116.42 115.31 3hye h ASP 84 Ca 0.40 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.69 3hye h ASP 84 Cb 0.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3hye h ASP 84 CO -0.16 0.36 -0.51 0.00 -1.57 0.00 0.00 179.24 177.36 3hye h ALA 85 N 1.64 0.58 -0.42 3.45 0.00 -0.81 -1.78 119.26 121.90 3hye h ALA 85 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3hye h ALA 85 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hye h ALA 85 CO 0.05 0.68 0.21 -0.09 0.00 0.00 0.00 179.25 180.10 3hye h ARG 86 N 0.60 0.61 -0.04 0.00 2.43 -0.64 0.17 114.38 117.51 3hye h ARG 86 Ca 0.02 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hye h ARG 86 Cb 1.10 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3hye h ARG 86 CO 0.11 0.52 0.02 0.28 -1.51 0.00 0.00 179.97 179.39 3hye h VAL 87 N 0.55 1.09 -0.53 0.20 2.07 -1.19 -0.29 116.25 118.15 3hye h VAL 87 Ca 0.15 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3hye h VAL 87 Cb 0.11 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3hye h VAL 87 CO -0.02 0.08 -0.12 -0.07 0.02 0.00 0.00 177.57 177.45 3hye h LEU 88 N -0.04 1.00 -0.75 2.57 3.38 -1.21 -1.95 115.31 118.31 3hye h LEU 88 Ca 0.01 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 3hye h LEU 88 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hye h LEU 88 CO -0.00 1.12 -0.49 0.77 0.09 0.00 0.00 178.44 179.93 3hye h SER 89 N 0.89 0.35 -0.01 -0.43 4.64 -0.63 -1.53 113.55 116.83 3hye h SER 89 Ca 0.14 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3hye h SER 89 Cb 0.69 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3hye h SER 89 CO 0.05 0.79 -0.33 -1.13 -0.87 0.00 0.00 176.83 175.34 3hye h ASN 90 N 0.26 0.49 -0.33 4.97 -0.73 -0.83 0.14 115.58 119.55 3hye h ASN 90 Ca 0.01 -0.19 -0.13 0.00 1.87 0.00 0.00 56.30 57.87 3hye h ASN 90 Cb 0.96 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 3hye h ASN 90 CO 0.08 0.79 -0.25 0.22 -0.37 0.00 0.00 177.43 177.90 3hye h TYR 91 N 0.41 0.96 -0.25 0.67 5.03 -1.08 -2.29 116.97 120.41 3hye h TYR 91 Ca 0.05 -0.23 -0.11 0.00 2.58 0.00 0.00 58.73 61.01 3hye h TYR 91 Cb 0.77 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 3hye h TYR 91 CO 0.03 0.99 -0.32 1.25 -1.32 0.00 0.00 178.16 178.79 3hye h LEU 92 N 0.72 0.55 -0.72 2.82 5.85 -0.72 -1.01 115.31 122.80 3hye h LEU 92 Ca 0.09 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3hye h LEU 92 Cb 0.79 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3hye h LEU 92 CO 0.07 0.84 0.31 0.03 -0.34 0.00 0.00 178.44 179.35 3hye h ARG 93 N 0.46 1.07 -0.15 1.25 3.08 -0.45 -0.82 114.38 118.83 3hye h ARG 93 Ca 0.05 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3hye h ARG 93 Cb 0.79 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hye h ARG 93 CO 0.06 0.87 -0.04 1.96 -1.07 0.00 0.00 179.97 181.75 3hye h GLN 94 N 1.03 0.28 -0.83 0.04 4.20 -1.11 -0.88 115.11 117.84 3hye h GLN 94 Ca 0.24 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.90 3hye h GLN 94 Cb 0.18 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3hye h GLN 94 CO -0.02 0.57 0.52 1.96 -0.67 0.00 0.00 178.83 181.19 3hye h GLN 95 N -0.02 0.94 -0.22 1.46 1.08 -1.02 0.70 115.11 118.02 3hye h GLN 95 Ca 0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3hye h GLN 95 Cb 0.47 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3hye h GLN 95 CO 0.01 0.62 0.09 0.00 -0.95 0.00 0.00 178.83 178.61 3hye h ASN 97 N 0.20 0.52 -0.14 0.00 -0.00 -0.16 -2.14 115.58 113.87 3hye h ASN 97 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.39 3hye h ASN 97 Cb 0.17 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.37 3hye h ASN 97 CO -0.01 0.37 0.06 0.22 -0.00 0.00 0.00 177.43 178.07 3hye h TYR 98 N 0.63 0.11 -0.87 0.67 3.20 0.52 -0.58 116.97 120.64 3hye h TYR 98 Ca 0.21 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.22 3hye h TYR 98 Cb 0.01 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.16 3hye h TYR 98 CO -0.06 0.06 0.48 1.03 -1.64 0.00 0.00 178.16 178.03 3hye h SER 99 N 0.13 0.64 0.16 -2.11 0.87 -1.02 -0.48 113.55 111.74 3hye h SER 99 Ca 0.06 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3hye h SER 99 Cb 0.02 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3hye h SER 99 CO -0.05 0.31 -0.08 0.28 -0.53 0.00 0.00 176.83 176.76 3hye h SER 100 N 0.73 -0.18 -0.48 6.23 0.02 -0.89 -1.93 113.55 117.04 3hye h SER 100 Ca 0.46 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hye h SER 100 Cb 0.56 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3hye h SER 100 CO -0.32 0.26 0.25 -0.07 -1.14 0.00 0.00 176.83 175.82 3hye h LEU 101 N -0.67 0.60 0.13 5.07 3.38 -0.82 0.30 115.31 123.30 3hye h LEU 101 Ca -0.02 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 3hye h LEU 101 Cb 0.49 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3hye h LEU 101 CO 0.04 0.53 -1.11 0.58 0.09 0.00 0.00 178.44 178.57 3hye h VAL 102 N 0.63 1.27 -0.01 1.22 2.07 -1.21 -3.39 116.25 116.83 3hye h VAL 102 Ca 0.17 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3hye h VAL 102 Cb 0.07 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3hye h VAL 102 CO -0.03 0.70 -0.06 0.49 0.02 0.00 0.00 177.57 178.69 3hye n PHE 103 N -4.04 0.00 -3.82 1.57 3.01 -0.77 -4.97 117.46 108.44 3hye n PHE 103 Ca -0.19 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.99 3hye n PHE 103 Cb 0.86 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.36 3hye n PHE 103 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hye n ASN 104 N 0.49 -4.16 -4.01 4.37 4.05 0.11 -4.96 115.26 111.15 3hye n ASN 104 Ca 0.07 -0.75 -0.20 0.00 0.45 0.00 0.00 54.58 54.14 3hye n ASN 104 Cb 0.30 -4.10 -0.15 0.00 1.23 0.00 0.00 39.78 37.06 3hye n ASN 104 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 3hye s ARG 105 N -6.42 0.93 0.20 1.20 3.52 -0.98 -4.95 118.95 112.45 3hye s ARG 105 Ca 0.50 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 3hye s ARG 105 Cb -0.24 -0.87 -0.08 0.00 -1.56 0.00 0.00 34.95 32.20 3hye s ARG 105 CO 0.81 0.13 1.03 0.15 -0.81 0.00 0.00 175.30 176.61 3hye s LYS 106 N 0.13 4.69 0.05 5.12 1.02 -1.26 -2.75 119.74 126.73 3hye s LYS 106 Ca -0.02 1.62 -0.31 0.00 0.02 0.00 0.00 55.97 57.29 3hye s LYS 106 Cb -0.08 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.88 3hye s LYS 106 CO 0.00 0.24 1.45 -1.17 -0.92 0.00 0.00 175.35 174.95 3hye s LEU 107 N -0.67 4.34 0.24 3.17 2.96 -1.26 -4.96 118.68 122.50 3hye s LEU 107 Ca 0.46 2.25 -0.30 0.00 -0.22 0.00 0.00 54.13 56.32 3hye s LEU 107 Cb -0.28 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 3hye s LEU 107 CO 0.34 -0.74 1.50 0.00 -1.32 0.00 0.00 176.35 176.14 3hye s ALA 108 N 2.08 3.69 0.46 5.97 0.00 -1.26 -4.89 121.76 127.81 3hye s ALA 108 Ca 0.66 1.39 0.16 0.00 0.00 0.00 0.00 51.96 54.17 3hye s ALA 108 Cb -0.35 -3.59 1.10 0.00 0.00 0.00 0.00 23.12 20.28 3hye s ALA 108 CO 0.29 -0.80 1.99 0.28 0.00 0.00 0.00 175.76 177.52 3hye h VAL 109 N 3.62 0.88 -0.32 0.00 2.07 -1.94 0.94 116.25 121.50 3hye h VAL 109 Ca -0.45 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3hye h VAL 109 Cb 1.21 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3hye h VAL 109 CO 0.81 0.06 -0.32 -0.08 0.02 0.00 0.00 177.57 178.06 3hye h GLU 110 N 0.32 0.69 -0.40 1.57 4.81 -2.00 -2.02 114.58 117.54 3hye h GLU 110 Ca 0.25 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3hye h GLU 110 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3hye h GLU 110 CO -0.06 0.91 -0.29 -0.09 -0.73 0.00 0.00 179.01 178.76 3hye h ARG 111 N 0.58 0.86 -0.60 1.92 9.65 -1.25 -2.20 114.38 123.35 3hye h ARG 111 Ca 0.07 -0.39 -0.03 0.00 -1.10 0.00 0.00 59.98 58.52 3hye h ARG 111 Cb 0.83 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.37 3hye h ARG 111 CO 0.07 1.04 0.24 0.00 2.80 0.00 0.00 179.97 184.12 3hye h ALA 112 N 0.94 1.29 -0.55 2.80 0.00 -0.96 -0.73 119.26 122.05 3hye h ALA 112 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hye h ALA 112 Cb 0.84 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hye h ALA 112 CO 0.07 0.53 0.10 0.78 0.00 0.00 0.00 179.25 180.73 3hye h GLY 113 N 0.98 0.96 1.03 0.00 0.00 -1.07 -1.28 103.07 103.69 3hye h GLY 113 Ca 0.21 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3hye h GLY 113 CO -0.02 0.59 0.25 0.45 0.00 0.00 0.00 176.54 177.81 3hye h HIS 114 N 0.79 1.10 -0.63 5.60 -0.00 -0.74 -0.66 115.15 120.60 3hye h HIS 114 Ca 0.17 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 3hye h HIS 114 Cb 0.39 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 3hye h HIS 114 CO 0.03 0.86 0.04 -0.07 -0.00 0.00 0.00 177.93 178.78 3hye h LEU 115 N 1.01 1.06 -0.36 2.43 3.38 -0.94 -1.81 115.31 120.09 3hye h LEU 115 Ca 0.23 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hye h LEU 115 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hye h LEU 115 CO -0.01 1.09 -0.05 -0.07 0.09 0.00 0.00 178.44 179.48 3hye h LEU 116 N 0.99 0.66 -0.28 1.67 3.38 -1.03 -1.19 115.31 119.52 3hye h LEU 116 Ca 0.18 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hye h LEU 116 Cb 0.52 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3hye h LEU 116 CO 0.03 0.85 -0.03 0.00 0.09 0.00 0.00 178.44 179.37 3hye h ASP 118 N 0.04 0.66 -0.58 0.00 3.32 -1.19 -1.24 116.42 117.43 3hye h ASP 118 Ca 0.14 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3hye h ASP 118 Cb 0.19 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hye h ASP 118 CO -0.26 0.77 0.00 0.50 -1.72 0.00 0.00 179.24 178.53 3hye h LYS 119 N 0.63 1.03 -0.21 3.56 3.64 -0.72 -2.88 116.57 121.63 3hye h LYS 119 Ca 0.12 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 3hye h LYS 119 Cb 0.48 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3hye h LYS 119 CO 0.03 1.02 -0.37 0.00 -2.27 0.00 0.00 179.45 177.85 3hye h ALA 120 N 0.98 0.98 -0.50 5.00 0.00 -1.01 -3.20 119.26 121.51 3hye h ALA 120 Ca 0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hye h ALA 120 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hye h ALA 120 CO 0.03 0.61 0.13 0.37 0.00 0.00 0.00 179.25 180.38 3hye h GLN 121 N 0.38 0.76 0.00 0.00 -0.00 -1.02 -2.71 115.11 112.53 3hye h GLN 121 Ca 0.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 3hye h GLN 121 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.18 3hye h GLN 121 CO 0.07 0.69 -0.04 0.87 0.00 0.00 0.00 178.83 180.41 3hye h LYS 122 N 0.74 0.00 -0.78 1.69 1.57 -1.52 -1.42 116.57 116.86 3hye h LYS 122 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hye h LYS 122 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hye h LYS 122 CO -0.00 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.01 3hye n ASN 123 N -4.00 3.55 0.00 0.86 3.02 -1.02 -3.71 115.26 113.96 3hye n ASN 123 Ca -0.03 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 3hye n ASN 123 Cb 0.13 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3hye n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hye n THR 124 N 0.33 0.00 -0.03 3.41 -2.24 -0.54 -3.18 114.28 112.03 3hye n THR 124 Ca 0.15 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3hye n THR 124 Cb 0.76 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.43 3hye n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hye n GLN 125 N -0.08 3.29 -4.43 -0.78 7.27 -1.22 -4.56 117.38 116.86 3hye n GLN 125 Ca 0.00 -0.20 -0.29 0.00 0.07 0.00 0.00 57.00 56.58 3hye n GLN 125 Cb 0.11 -0.67 -0.13 0.00 2.41 0.00 0.00 30.24 31.96 3hye n GLN 125 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3hye s SER 126 N -0.53 3.39 0.51 1.69 0.01 -1.25 -4.84 113.70 112.69 3hye s SER 126 Ca 0.00 -0.70 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 3hye s SER 126 Cb 0.00 -0.28 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 3hye s SER 126 CO 0.00 0.19 1.06 -0.47 0.41 0.00 0.00 173.24 174.43 3hye s TYR 127 N -1.04 2.93 0.00 2.43 5.04 -1.26 -3.92 117.35 121.53 3hye s TYR 127 Ca 0.14 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 3hye s TYR 127 Cb -0.10 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.11 3hye s TYR 127 CO 0.06 -1.01 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 3hye n GLY 128 N -0.27 2.43 0.75 8.97 0.00 -1.26 -5.01 105.19 110.81 3hye n GLY 128 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 3hye n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 129 N 0.00 -0.27 3.16 -0.02 0.00 -1.25 -5.12 105.19 101.69 3hye n GLY 129 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 3hye n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hye s ARG 130 N -3.25 0.63 0.85 1.61 1.70 -1.26 -4.77 118.95 114.45 3hye s ARG 130 Ca 0.14 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.73 3hye s ARG 130 Cb -0.01 0.26 0.10 0.00 -0.57 0.00 0.00 34.95 34.73 3hye s ARG 130 CO 0.09 -0.17 1.09 -2.14 -1.08 0.00 0.00 175.30 173.10 3hye s PRO 131 N -2.18 1.64 0.35 3.89 0.02 -1.19 -4.84 135.00 132.69 3hye s PRO 131 Ca -0.08 1.04 -0.25 0.00 0.02 0.00 0.00 61.00 61.73 3hye s PRO 131 Cb -0.03 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 3hye s PRO 131 CO -0.02 -2.04 1.00 0.71 -0.33 0.00 0.00 177.00 176.32 3hye s TYR 132 N -2.88 3.50 -0.70 6.54 1.51 -1.26 -4.96 117.35 119.10 3hye s TYR 132 Ca 0.63 1.72 0.01 0.00 -1.01 0.00 0.00 57.07 58.41 3hye s TYR 132 Cb -0.18 -3.03 0.37 0.00 -0.11 0.00 0.00 41.96 39.01 3hye s TYR 132 CO 0.57 -0.19 1.62 0.41 -1.11 0.00 0.00 175.55 176.85 3hye n GLY 133 N 0.48 5.75 3.27 0.71 0.00 -1.26 -4.66 105.19 109.47 3hye n GLY 133 Ca 0.03 -2.61 -0.14 0.00 0.00 0.00 0.00 46.02 43.30 3hye n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s VAL 134 N -5.16 0.04 0.07 1.61 0.11 -1.26 -0.22 120.40 115.59 3hye s VAL 134 Ca 0.49 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 3hye s VAL 134 Cb 0.40 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3hye s VAL 134 CO -0.30 -0.19 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.44 3hye s GLY 135 N -1.02 1.89 0.01 6.54 0.00 -0.04 -4.03 107.32 110.67 3hye s GLY 135 Ca -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3hye s GLY 135 CO 0.04 -1.04 -0.05 1.08 0.00 0.00 0.00 173.10 173.12 3hye s LEU 136 N -2.10 2.08 -0.23 0.66 1.43 -0.76 -1.49 118.68 118.25 3hye s LEU 136 Ca 0.24 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3hye s LEU 136 Cb -0.12 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3hye s LEU 136 CO 0.16 -0.02 -0.10 -0.76 0.23 0.00 0.00 176.35 175.86 3hye s LEU 137 N -0.50 2.98 -0.16 1.79 1.43 0.00 0.29 118.68 124.51 3hye s LEU 137 Ca -0.02 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 3hye s LEU 137 Cb -0.04 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3hye s LEU 137 CO -0.00 -0.10 -0.02 -0.63 0.23 0.00 0.00 176.35 175.82 3hye s ILE 138 N 1.30 3.99 0.18 -0.59 1.09 0.37 -0.57 121.20 126.97 3hye s ILE 138 Ca 0.00 -0.32 0.10 0.00 -1.10 0.00 0.00 60.65 59.33 3hye s ILE 138 Cb -0.16 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 3hye s ILE 138 CO -0.06 0.48 -0.20 0.27 -0.10 0.00 0.00 174.94 175.33 3hye s ILE 139 N 0.42 2.03 -0.21 2.92 -4.36 -0.57 0.12 121.20 121.55 3hye s ILE 139 Ca -0.03 -1.98 -0.35 0.00 -0.26 0.00 0.00 60.65 58.03 3hye s ILE 139 Cb -0.14 -1.96 0.15 0.00 1.25 0.00 0.00 42.46 41.76 3hye s ILE 139 CO 0.03 -0.26 1.24 -0.83 0.24 0.00 0.00 174.94 175.36 3hye s GLY 140 N -2.71 -0.24 -0.23 6.27 0.00 -0.68 -2.11 107.32 107.61 3hye s GLY 140 Ca 0.18 1.79 0.02 0.00 0.00 0.00 0.00 44.72 46.71 3hye s GLY 140 CO 0.08 0.63 -0.14 -0.47 0.00 0.00 0.00 173.10 173.20 3hye s TYR 141 N -2.17 3.08 0.00 1.90 5.04 -0.85 -0.80 117.35 123.55 3hye s TYR 141 Ca 0.09 -2.02 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 3hye s TYR 141 Cb -0.01 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.36 3hye s TYR 141 CO -0.04 -0.84 0.00 -0.40 -1.34 0.00 0.00 175.55 172.92 3hye n ASP 142 N 4.52 1.49 0.00 4.32 3.85 -0.36 -4.85 116.55 125.52 3hye n ASP 142 Ca -0.17 -0.19 0.03 0.00 -0.71 0.00 0.00 54.79 53.75 3hye n ASP 142 Cb 0.45 0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.38 3hye n ASP 142 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3hye n LYS 143 N 0.00 0.14 -0.59 0.11 5.02 -1.26 -1.72 118.16 119.86 3hye n LYS 143 Ca 0.00 0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 3hye n LYS 143 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.62 3hye n LYS 143 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hye n SER 144 N -1.11 1.45 0.00 4.39 3.41 -1.26 -5.12 113.62 115.38 3hye n SER 144 Ca 0.04 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 3hye n SER 144 Cb 0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3hye n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 145 N -0.70 -0.83 3.80 5.00 0.00 -0.70 -4.96 105.19 106.81 3hye n GLY 145 Ca 0.12 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 3hye n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 146 N -1.71 3.19 -0.00 4.61 0.00 -1.26 -1.22 121.76 125.36 3hye s ALA 146 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 3hye s ALA 146 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.03 3hye s ALA 146 CO 0.00 0.19 0.19 -1.01 0.00 0.00 0.00 175.76 175.14 3hye s HIS 147 N -1.82 -0.03 -0.02 0.00 3.76 0.02 -4.98 115.29 112.22 3hye s HIS 147 Ca 0.53 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 3hye s HIS 147 Cb -0.15 0.00 0.02 0.00 1.11 0.00 0.00 32.58 33.57 3hye s HIS 147 CO 0.19 -0.32 0.01 -1.17 -0.85 0.00 0.00 174.74 172.60 3hye s LEU 148 N -1.34 1.23 0.07 0.89 2.96 -1.25 -1.69 118.68 119.54 3hye s LEU 148 Ca -0.14 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3hye s LEU 148 Cb -0.07 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.43 3hye s LEU 148 CO 0.02 -0.10 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.03 3hye s LEU 149 N 0.91 2.24 -0.15 -0.68 1.02 0.32 -1.70 118.68 120.64 3hye s LEU 149 Ca -0.09 -0.59 0.01 0.00 0.02 0.00 0.00 54.13 53.49 3hye s LEU 149 Cb -0.12 -0.73 0.00 0.00 0.02 0.00 0.00 46.19 45.36 3hye s LEU 149 CO -0.02 0.03 -0.18 -0.70 0.02 0.00 0.00 176.35 175.51 3hye s GLU 150 N -1.56 3.13 -0.21 1.70 2.12 0.74 -0.48 118.70 124.15 3hye s GLU 150 Ca 0.03 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 3hye s GLU 150 Cb -0.09 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3hye s GLU 150 CO 0.03 -0.03 -0.02 0.12 -0.54 0.00 0.00 175.26 174.82 3hye s PHE 151 N 0.89 3.00 -0.04 5.30 5.36 0.15 -0.97 117.98 131.66 3hye s PHE 151 Ca -0.04 -0.62 0.02 0.00 -0.96 0.00 0.00 56.93 55.32 3hye s PHE 151 Cb -0.15 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3hye s PHE 151 CO -0.02 -0.35 -0.08 -0.65 -1.46 0.00 0.00 175.22 172.66 3hye s GLN 152 N 1.15 2.65 0.64 10.12 -1.52 -0.11 -1.83 119.66 130.76 3hye s GLN 152 Ca 0.02 -0.63 0.27 0.00 -1.95 0.00 0.00 55.36 53.08 3hye s GLN 152 Cb -0.14 -2.53 1.45 0.00 -0.22 0.00 0.00 33.01 31.57 3hye s GLN 152 CO 0.01 0.64 1.81 -1.35 -0.25 0.00 0.00 175.29 176.14 3hye h PRO 153 N 5.04 0.00 0.00 2.91 0.11 -1.83 0.58 132.00 138.80 3hye h PRO 153 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hye h PRO 153 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hye h PRO 153 CO 0.52 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 3hye n SER 154 N -2.80 0.69 0.00 -2.05 3.41 -1.26 -4.56 113.62 107.05 3hye n SER 154 Ca -0.02 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3hye n SER 154 Cb 0.42 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3hye n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 155 N -0.17 0.40 3.66 5.00 0.00 0.20 -4.73 105.19 109.55 3hye n GLY 155 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3hye n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hye s ASN 156 N -2.15 7.08 -0.06 1.61 0.01 -1.17 -4.42 114.94 115.84 3hye s ASN 156 Ca 0.00 1.45 0.06 0.00 -0.71 0.00 0.00 52.86 53.66 3hye s ASN 156 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3hye s ASN 156 CO 0.00 -0.67 -0.25 -0.69 -1.51 0.00 0.00 177.10 173.98 3hye s VAL 157 N 3.18 2.08 0.02 1.60 1.01 -1.26 -0.93 120.40 126.09 3hye s VAL 157 Ca 0.46 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3hye s VAL 157 Cb -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3hye s VAL 157 CO 0.08 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 174.79 3hye s THR 158 N -0.12 0.57 -0.18 3.92 2.01 -0.15 -4.94 115.64 116.75 3hye s THR 158 Ca -0.05 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 3hye s THR 158 Cb -0.14 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 3hye s THR 158 CO 0.04 -0.05 0.29 -0.70 -0.69 0.00 0.00 174.62 173.51 3hye s GLU 159 N -0.73 4.21 0.30 4.92 2.12 -1.26 -0.19 118.70 128.08 3hye s GLU 159 Ca -0.02 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.40 3hye s GLU 159 Cb -0.05 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3hye s GLU 159 CO 0.00 0.15 0.17 -0.51 -0.54 0.00 0.00 175.26 174.54 3hye s LEU 160 N 0.73 1.65 0.04 2.70 1.43 -0.69 -5.02 118.68 119.53 3hye s LEU 160 Ca 0.15 -1.57 0.12 0.00 -1.03 0.00 0.00 54.13 51.81 3hye s LEU 160 Cb -0.13 0.24 -0.19 0.00 0.03 0.00 0.00 46.19 46.14 3hye s LEU 160 CO 0.04 -0.90 0.89 1.88 0.23 0.00 0.00 176.35 178.50 3hye h TYR 161 N 2.22 0.00 -1.80 0.29 0.05 -1.93 -3.35 116.97 112.46 3hye h TYR 161 Ca -0.33 0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.68 3hye h TYR 161 Cb 1.25 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.85 3hye h TYR 161 CO 1.07 0.88 0.69 0.20 -1.05 0.00 0.00 178.16 179.95 3hye s GLY 162 N -4.91 -0.35 -0.10 3.88 0.00 -1.26 -0.74 107.32 103.84 3hye s GLY 162 Ca -0.02 0.96 -0.31 0.00 0.00 0.00 0.00 44.72 45.35 3hye s GLY 162 CO 0.82 0.28 1.40 -1.08 0.00 0.00 0.00 173.10 174.51 3hye s THR 163 N -2.73 0.00 -0.02 0.90 -1.32 0.11 -4.96 115.64 107.62 3hye s THR 163 Ca 0.10 -0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.40 3hye s THR 163 Cb 0.01 -2.74 0.03 0.00 -1.51 0.00 0.00 72.50 68.29 3hye s THR 163 CO -0.04 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 172.76 3hye s ALA 164 N -2.00 -0.98 0.05 11.08 0.00 -1.26 -0.68 121.76 127.96 3hye s ALA 164 Ca 0.28 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 3hye s ALA 164 Cb 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3hye s ALA 164 CO -0.04 -0.30 -0.03 0.96 0.00 0.00 0.00 175.76 176.35 3hye s ILE 165 N -1.39 0.25 0.00 0.00 -4.36 -0.86 -4.85 121.20 109.99 3hye s ILE 165 Ca -0.12 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 3hye s ILE 165 Cb -0.04 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.43 3hye s ILE 165 CO 0.05 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.97 3hye n GLY 166 N 0.46 -0.67 3.72 6.27 0.00 -1.26 -1.54 105.19 112.16 3hye n GLY 166 Ca -0.16 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3hye n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 167 N -1.78 3.71 -1.59 4.61 0.00 0.20 -2.36 121.76 124.55 3hye s ALA 167 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3hye s ALA 167 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3hye s ALA 167 CO 0.00 -0.72 0.00 0.54 0.00 0.00 0.00 175.76 175.58 3hye n ARG 168 N 3.94 -1.18 0.26 0.00 1.74 -1.26 -4.27 116.66 115.88 3hye n ARG 168 Ca 0.13 1.02 0.14 0.00 -0.77 0.00 0.00 57.85 58.36 3hye n ARG 168 Cb 0.40 -5.21 0.82 0.00 -1.02 0.00 0.00 32.46 27.45 3hye n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hye h SER 169 N 0.00 0.00 -0.23 0.55 4.64 -1.77 -2.47 113.55 114.28 3hye h SER 169 Ca -0.31 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3hye h SER 169 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3hye h SER 169 CO 0.45 0.00 0.24 -0.61 -0.87 0.00 0.00 176.83 176.04 3hye h GLN 170 N 0.00 0.00 0.61 4.77 5.75 -1.88 -1.76 115.11 122.60 3hye h GLN 170 Ca 0.02 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3hye h GLN 170 Cb 0.12 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.68 3hye h GLN 170 CO -0.00 0.00 -0.29 0.78 -2.65 0.00 0.00 178.83 176.67 3hye h GLY 171 N 0.00 -0.86 0.52 2.39 0.00 -1.63 -2.52 103.07 100.97 3hye h GLY 171 Ca 0.11 0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.90 3hye h GLY 171 CO -0.00 -0.31 0.58 0.00 0.00 0.00 0.00 176.54 176.81 3hye h ALA 172 N -1.39 1.78 -0.55 3.60 0.00 -1.53 -1.78 119.26 119.39 3hye h ALA 172 Ca -0.08 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hye h ALA 172 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hye h ALA 172 CO 0.14 -0.02 0.01 -0.22 0.00 0.00 0.00 179.25 179.16 3hye h LYS 173 N 0.74 0.93 -0.21 0.00 3.64 -1.32 -0.84 116.57 119.51 3hye h LYS 173 Ca 0.45 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 3hye h LYS 173 Cb 0.68 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3hye h LYS 173 CO -0.21 0.92 -0.54 1.15 -2.27 0.00 0.00 179.45 178.49 3hye h THR 174 N 0.86 1.31 0.04 1.00 2.02 -0.89 -1.46 112.91 115.79 3hye h THR 174 Ca 0.16 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3hye h THR 174 Cb 0.49 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3hye h THR 174 CO 0.02 0.56 -0.03 0.22 0.37 0.00 0.00 175.52 176.66 3hye h TYR 175 N 0.47 -0.07 -0.68 3.16 3.20 -1.06 -2.24 116.97 119.75 3hye h TYR 175 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3hye h TYR 175 Cb 1.10 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3hye h TYR 175 CO 0.05 -0.05 0.28 -0.07 -1.64 0.00 0.00 178.16 176.73 3hye h LEU 176 N -0.07 0.94 -1.46 2.82 3.38 -1.10 0.31 115.31 120.13 3hye h LEU 176 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hye h LEU 176 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hye h LEU 176 CO -0.00 0.85 0.00 -0.08 0.09 0.00 0.00 178.44 179.29 3hye h GLU 177 N 0.96 0.00 0.01 1.13 4.81 -1.04 0.16 114.58 120.61 3hye h GLU 177 Ca 0.23 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 59.05 3hye h GLU 177 Cb 0.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 3hye h GLU 177 CO -0.02 0.00 -2.28 -2.13 -0.73 0.00 0.00 179.01 173.85 3hye n ARG 178 N -2.40 0.61 0.00 1.92 0.00 -0.64 -4.33 116.66 111.82 3hye n ARG 178 Ca -0.01 0.30 0.10 0.00 -0.00 0.00 0.00 57.85 58.24 3hye n ARG 178 Cb 0.10 -1.55 0.56 0.00 0.00 0.00 0.00 32.46 31.56 3hye n ARG 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hye n THR 179 N -4.05 0.20 0.00 5.15 -1.04 0.10 -4.45 114.28 110.19 3hye n THR 179 Ca -0.48 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3hye n THR 179 Cb 0.88 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 3hye n THR 179 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hye n LEU 180 N -1.14 0.00 -0.17 -4.42 7.94 0.50 -0.62 117.00 119.09 3hye n LEU 180 Ca 0.13 0.75 0.29 0.00 -1.11 0.00 0.00 56.01 56.07 3hye n LEU 180 Cb 0.11 -0.29 0.62 0.00 0.53 0.00 0.00 43.42 44.39 3hye n LEU 180 CO 0.13 -0.29 1.26 0.44 -1.11 0.00 0.00 177.39 177.83 3hye h ASP 18 N 0.00 0.00 0.01 1.96 3.45 -1.88 -2.40 116.42 117.55 3hye h ASP 18 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hye h ASP 18 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hye h ASP 18 CO 0.00 0.00 -0.00 0.74 -1.57 0.00 0.00 179.24 178.41 3hye h THR 18 N 0.00 0.00 -0.05 0.35 2.02 -1.17 -3.39 112.91 110.66 3hye h THR 18 Ca 0.45 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.55 3hye h THR 18 Cb 2.32 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3hye h THR 18 CO -0.00 0.00 -0.10 2.19 0.37 0.00 0.00 175.52 177.98 3hye h PHE 18 N -0.05 0.08 0.00 3.16 -5.15 -1.23 -2.56 116.94 111.19 3hye h PHE 18 Ca -0.00 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 3hye h PHE 18 Cb 0.01 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 36.15 3hye h PHE 18 CO 0.02 0.18 0.05 1.51 -2.00 0.00 0.00 178.31 178.08 3hye n ILE 18 N -4.38 1.07 0.00 0.88 3.06 -0.92 -0.41 119.36 118.67 3hye n ILE 18 Ca -0.02 0.71 0.06 0.00 -2.50 0.00 0.00 62.75 61.01 3hye n ILE 18 Cb 0.20 -1.71 0.14 0.00 0.54 0.00 0.00 39.64 38.81 3hye n ILE 18 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3hye n LYS 18 N -2.13 2.28 -1.46 9.51 5.02 -0.96 -4.00 118.16 126.42 3hye n LYS 18 Ca -0.01 -1.90 -0.40 0.00 -2.02 0.00 0.00 58.31 53.99 3hye n LYS 18 Cb 0.08 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3hye n LYS 18 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hye n ILE 18 N 0.69 3.73 -3.31 -0.18 5.41 0.46 -4.91 119.36 121.24 3hye n ILE 18 Ca 0.12 -2.67 -0.36 0.00 1.00 0.00 0.00 62.75 60.84 3hye n ILE 18 Cb 0.42 -2.58 -0.06 0.00 -0.71 0.00 0.00 39.64 36.71 3hye n ILE 18 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3hye s ASP 183 N 2.82 6.91 0.00 4.38 1.01 -1.26 -4.05 116.67 126.48 3hye s ASP 183 Ca 0.58 1.16 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3hye s ASP 183 Cb 0.16 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3hye s ASP 183 CO -0.06 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.07 3hye n GLY 184 N 1.04 0.47 2.48 0.21 0.00 -1.26 -4.94 105.19 103.19 3hye n GLY 184 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3hye n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hye s ASN 185 N -2.30 2.35 0.13 1.61 3.04 -1.26 -5.01 114.94 113.49 3hye s ASN 185 Ca 0.00 -2.79 -0.26 0.00 0.04 0.00 0.00 52.86 49.85 3hye s ASN 185 Cb 0.00 -0.55 -0.04 0.00 -1.54 0.00 0.00 41.25 39.11 3hye s ASN 185 CO 0.00 -0.22 1.62 1.55 -3.04 0.00 0.00 177.10 177.01 3hye h PRO 186 N 6.18 -0.42 -1.04 0.43 0.13 -1.92 -2.23 132.00 133.13 3hye h PRO 186 Ca 0.17 0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.60 3hye h PRO 186 Cb 0.92 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.07 3hye h PRO 186 CO 0.37 -0.28 0.69 -0.44 -0.23 0.00 0.00 178.00 178.11 3hye h ASP 187 N -0.43 0.34 -0.22 1.44 3.32 -1.98 0.23 116.42 119.12 3hye h ASP 187 Ca 0.07 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.00 3hye h ASP 187 Cb 0.54 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hye h ASP 187 CO -0.29 0.07 -0.59 -0.33 -1.72 0.00 0.00 179.24 176.39 3hye h GLU 188 N 0.31 0.78 -0.47 3.56 4.39 -1.81 -1.54 114.58 119.79 3hye h GLU 188 Ca 0.57 -0.55 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3hye h GLU 188 Cb 1.61 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 3hye h GLU 188 CO -0.22 1.17 0.13 1.25 -1.16 0.00 0.00 179.01 180.18 3hye h LEU 189 N 0.52 0.69 -0.05 1.33 6.46 -0.33 -1.49 115.31 122.44 3hye h LEU 189 Ca -0.01 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3hye h LEU 189 Cb 1.20 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3hye h LEU 189 CO 0.13 0.73 0.03 0.40 -0.62 0.00 0.00 178.44 179.10 3hye h ILE 190 N 0.62 1.07 -0.95 4.05 2.04 -0.79 -0.22 117.51 123.32 3hye h ILE 190 Ca 0.15 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3hye h ILE 190 Cb 0.29 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 3hye h ILE 190 CO -0.00 0.06 0.60 0.11 0.00 0.00 0.00 178.15 178.91 3hye h LYS 191 N 0.01 1.01 -0.68 2.37 1.57 -1.19 0.17 116.57 119.83 3hye h LYS 191 Ca 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3hye h LYS 191 Cb 0.07 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3hye h LYS 191 CO -0.00 0.67 0.35 0.00 -0.57 0.00 0.00 179.45 179.89 3hye h ALA 192 N 1.46 1.33 -0.33 3.86 0.00 -0.75 0.20 119.26 125.04 3hye h ALA 192 Ca 0.43 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3hye h ALA 192 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hye h ALA 192 CO -0.20 0.53 -0.15 0.78 0.00 0.00 0.00 179.25 180.21 3hye h GLY 193 N 1.02 0.74 1.82 0.00 0.00 0.96 -2.18 103.07 105.43 3hye h GLY 193 Ca 0.24 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3hye h GLY 193 CO -0.03 0.60 -0.19 -2.08 0.00 0.00 0.00 176.54 174.83 3hye h VAL 194 N 0.45 1.20 -0.07 4.60 2.07 -0.27 -1.27 116.25 122.96 3hye h VAL 194 Ca 0.07 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 3hye h VAL 194 Cb 0.68 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3hye h VAL 194 CO 0.05 0.29 -0.54 -0.08 0.02 0.00 0.00 177.57 177.30 3hye h GLU 195 N 0.21 0.20 -0.10 1.57 4.81 -0.80 -1.95 114.58 118.52 3hye h GLU 195 Ca 0.04 -0.12 -0.23 0.00 -0.13 0.00 0.00 59.36 58.91 3hye h GLU 195 Cb 0.47 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.87 3hye h GLU 195 CO 0.03 0.69 -0.86 0.00 -0.73 0.00 0.00 179.01 178.14 3hye h ALA 196 N 1.29 0.23 -0.29 2.92 0.00 -0.80 -3.24 119.26 119.37 3hye h ALA 196 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 3hye h ALA 196 Cb 1.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hye h ALA 196 CO 0.08 0.66 -0.33 0.97 0.00 0.00 0.00 179.25 180.63 3hye h ILE 197 N 0.46 1.29 0.00 0.00 2.10 -1.14 -2.29 117.51 117.92 3hye h ILE 197 Ca -0.08 -1.46 0.00 0.00 1.08 0.00 0.00 64.86 64.40 3hye h ILE 197 Cb 1.50 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 3hye h ILE 197 CO 0.17 0.47 0.00 -1.54 -1.08 0.00 0.00 178.15 176.17 3hye n SER 198 N -4.07 0.32 0.00 2.19 3.41 -0.74 -1.26 113.62 113.46 3hye n SER 198 Ca -0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3hye n SER 198 Cb 0.48 -0.65 0.75 0.00 -0.26 0.00 0.00 64.21 64.53 3hye n SER 198 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3hye n GLN 199 N -1.86 0.73 0.00 4.33 -0.06 -0.86 -2.48 117.38 117.18 3hye n GLN 199 Ca 0.02 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 3hye n GLN 199 Cb 0.16 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 3hye n GLN 199 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3hye n SER 200 N -1.06 1.53 -4.18 1.69 7.64 -0.39 -3.88 113.62 114.97 3hye n SER 200 Ca 0.18 -1.66 -0.30 0.00 1.01 0.00 0.00 58.87 58.10 3hye n SER 200 Cb 0.11 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.51 3hye n SER 200 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hye s LEU 201 N -0.66 1.81 0.00 -3.43 1.43 -1.03 -4.82 118.68 111.97 3hye s LEU 201 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3hye s LEU 201 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3hye s LEU 201 CO 0.00 -3.19 0.00 -1.14 0.23 0.00 0.00 176.35 172.25 3hye n ARG 202 N -4.13 0.00 0.00 1.70 0.63 -1.26 -5.00 116.66 108.60 3hye n ARG 202 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3hye n ARG 202 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3hye n ARG 202 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3hye n ASP 203 N 0.00 0.00 0.00 6.15 2.03 -1.26 -4.97 116.55 118.50 3hye n ASP 203 Ca 0.00 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.27 3hye n ASP 203 Cb 0.00 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 3hye n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hye n GLU 204 N -1.91 2.81 -4.26 -0.67 0.28 -1.26 -5.17 120.64 110.47 3hye n GLU 204 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 3hye n GLU 204 Cb 0.00 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.73 3hye n GLU 204 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3hye s SER 206 N 1.00 1.07 -0.07 -1.84 0.15 -1.26 -4.91 113.70 107.84 3hye s SER 206 Ca 0.00 -0.29 -0.31 0.00 0.70 0.00 0.00 55.95 56.05 3hye s SER 206 Cb 0.00 -0.08 -0.09 0.00 -1.71 0.00 0.00 66.02 64.14 3hye s SER 206 CO 0.00 0.02 2.01 0.00 1.20 0.00 0.00 173.24 176.48 3hye n LEU 207 N 2.39 3.69 0.00 3.45 -0.00 -1.26 -4.97 117.00 120.30 3hye n LEU 207 Ca -0.16 0.76 -0.08 0.00 -0.00 0.00 0.00 56.01 56.53 3hye n LEU 207 Cb 0.56 -1.48 0.03 0.00 -0.00 0.00 0.00 43.42 42.53 3hye n LEU 207 CO 0.24 -0.09 0.14 0.35 -0.00 0.00 0.00 177.39 178.03 3hye n THR 2 N 5.96 0.00 -0.05 1.47 -2.24 -1.26 -4.92 114.28 113.24 3hye n THR 2 Ca 0.24 -0.76 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 3hye n THR 2 Cb 0.38 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 3hye n THR 2 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3hye h VAL 2 N 0.05 1.33 -0.51 2.28 3.04 -1.93 -2.26 116.25 118.24 3hye h VAL 2 Ca -0.11 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.87 3hye h VAL 2 Cb 0.49 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3hye h VAL 2 CO 0.15 0.53 0.00 -0.90 -1.01 0.00 0.00 177.57 176.35 3hye n ASP 2 N -4.19 3.82 -0.01 3.17 5.68 -1.26 -2.85 116.55 120.91 3hye n ASP 2 Ca -0.06 -2.34 0.02 0.00 -0.50 0.00 0.00 54.79 51.90 3hye n ASP 2 Cb 0.58 -0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 3hye n ASP 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3hye n ASN 2 N 0.85 3.90 -4.87 -1.12 5.15 -1.18 -4.64 115.26 113.35 3hye n ASN 2 Ca 0.20 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.82 3hye n ASN 2 Cb 0.72 1.11 -0.06 0.00 -0.53 0.00 0.00 39.78 41.03 3hye n ASN 2 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hye s LEU 210 N -3.51 4.40 -0.04 1.20 2.96 -0.86 -1.52 118.68 121.32 3hye s LEU 210 Ca -0.02 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3hye s LEU 210 Cb 0.03 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 44.15 3hye s LEU 210 CO 0.20 0.29 0.03 -0.55 -1.32 0.00 0.00 176.35 175.00 3hye s SER 211 N -1.41 0.75 0.09 3.68 0.15 -0.82 -4.10 113.70 112.04 3hye s SER 211 Ca 0.25 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.99 3hye s SER 211 Cb -0.14 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 3hye s SER 211 CO 0.13 -0.18 -0.16 -0.63 1.20 0.00 0.00 173.24 173.60 3hye s ILE 212 N 1.58 1.36 -0.08 6.45 -1.09 -0.47 -0.38 121.20 128.58 3hye s ILE 212 Ca -0.02 -1.46 -0.09 0.00 -2.23 0.00 0.00 60.65 56.84 3hye s ILE 212 Cb -0.13 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.46 3hye s ILE 212 CO -0.03 -0.20 0.25 0.00 -1.23 0.00 0.00 174.94 173.72 3hye s ALA 213 N -1.39 -0.61 0.03 9.38 0.00 0.20 0.72 121.76 130.09 3hye s ALA 213 Ca 0.03 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 3hye s ALA 213 Cb -0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3hye s ALA 213 CO 0.03 -0.14 0.01 -1.50 0.00 0.00 0.00 175.76 174.16 3hye s ILE 214 N -0.12 0.14 -0.03 0.00 2.07 -0.80 -0.19 121.20 122.25 3hye s ILE 214 Ca -0.02 -1.12 -0.12 0.00 -1.41 0.00 0.00 60.65 57.98 3hye s ILE 214 Cb -0.03 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.92 3hye s ILE 214 CO 0.01 -0.61 0.27 0.54 -1.91 0.00 0.00 174.94 173.23 3hye s VAL 215 N -2.20 0.05 -0.42 4.00 0.11 -0.94 -1.35 120.40 119.65 3hye s VAL 215 Ca -0.09 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 3hye s VAL 215 Cb -0.04 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3hye s VAL 215 CO -0.03 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 3hye n GLY 216 N 1.73 -1.24 0.01 6.54 0.00 0.01 -1.49 105.19 110.74 3hye n GLY 216 Ca -0.20 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 3hye n GLY 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hye n LYS 217 N -0.07 -0.01 -1.35 1.61 4.81 -0.59 0.51 118.16 123.06 3hye n LYS 217 Ca 0.00 0.05 -0.05 0.00 -0.87 0.00 0.00 58.31 57.44 3hye n LYS 217 Cb 0.00 -0.07 0.11 0.00 0.02 0.00 0.00 35.03 35.09 3hye n LYS 217 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hye n ASP 218 N -3.12 2.73 -3.88 3.14 10.43 -1.26 -4.98 116.55 119.61 3hye n ASP 218 Ca 0.00 -3.51 -0.30 0.00 2.57 0.00 0.00 54.79 53.55 3hye n ASP 218 Cb 0.01 -0.44 -0.16 0.00 1.84 0.00 0.00 41.12 42.37 3hye n ASP 218 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3hye s THR 219 N -3.41 1.24 0.21 -3.53 2.01 0.18 -5.11 115.64 107.22 3hye s THR 219 Ca 0.41 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 3hye s THR 219 Cb 0.38 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 3hye s THR 219 CO -0.04 -0.13 1.15 -2.16 -0.69 0.00 0.00 174.62 172.75 3hye s PRO 220 N 1.53 4.55 -0.48 4.92 0.04 -1.26 -0.81 135.00 143.49 3hye s PRO 220 Ca -0.04 1.82 -0.45 0.00 0.04 0.00 0.00 61.00 62.37 3hye s PRO 220 Cb -0.18 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.93 3hye s PRO 220 CO -0.07 0.02 1.81 0.34 0.04 0.00 0.00 177.00 179.14 3hye n PHE 221 N 2.15 1.59 -4.05 0.56 -0.00 -0.10 -4.76 117.46 112.84 3hye n PHE 221 Ca 0.03 0.95 -0.13 0.00 -0.00 0.00 0.00 57.45 58.30 3hye n PHE 221 Cb 0.45 -2.28 -0.12 0.00 -0.00 0.00 0.00 39.48 37.53 3hye n PHE 221 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3hye s THR 222 N 4.16 0.35 -0.11 -2.13 -4.23 -0.46 -4.93 115.64 108.29 3hye s THR 222 Ca 1.09 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 60.87 3hye s THR 222 Cb -1.44 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3hye s THR 222 CO 0.74 -0.23 0.05 -0.63 -0.54 0.00 0.00 174.62 174.01 3hye s ILE 223 N -0.90 4.72 -0.14 2.99 1.09 -1.26 -1.91 121.20 125.79 3hye s ILE 223 Ca -0.07 -0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.42 3hye s ILE 223 Cb -0.07 -3.03 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 3hye s ILE 223 CO -0.00 0.58 -0.20 -0.31 -0.10 0.00 0.00 174.94 174.91 3hye s TYR 224 N -0.68 2.53 0.02 3.97 2.02 0.22 -4.99 117.35 120.43 3hye s TYR 224 Ca 0.12 -1.31 0.02 0.00 -0.37 0.00 0.00 57.07 55.53 3hye s TYR 224 Cb -0.12 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3hye s TYR 224 CO 0.02 -0.62 -0.06 -0.51 -1.57 0.00 0.00 175.55 172.82 3hye s ASP 225 N 0.95 0.66 0.72 2.29 1.01 -1.26 -1.37 116.67 119.68 3hye s ASP 225 Ca -0.05 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.93 3hye s ASP 225 Cb -0.15 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.76 3hye s ASP 225 CO -0.04 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.89 3hye n GLY 226 N 2.31 2.02 0.25 0.21 0.00 -1.13 -3.45 105.19 105.40 3hye n GLY 226 Ca -0.17 -0.56 0.21 0.00 0.00 0.00 0.00 46.02 45.50 3hye n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hye n GLU 227 N 13.23 -0.05 0.08 1.61 4.71 -1.26 0.18 120.64 139.14 3hye n GLU 227 Ca 0.00 1.08 0.08 0.00 -0.01 0.00 0.00 57.16 58.32 3hye n GLU 227 Cb 0.00 -1.88 0.37 0.00 -1.01 0.00 0.00 31.44 28.92 3hye n GLU 227 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hye n ALA 228 N -2.67 1.37 0.52 0.62 0.00 -1.22 -1.83 120.51 117.30 3hye n ALA 228 Ca 0.26 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.82 3hye n ALA 228 Cb 0.88 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 3hye n ALA 228 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hye n VAL 229 N -1.92 0.00 -0.22 0.00 0.24 0.48 -4.63 118.33 112.28 3hye n VAL 229 Ca 0.01 -0.37 0.03 0.00 -2.04 0.00 0.00 64.34 61.96 3hye n VAL 229 Cb 0.12 1.13 0.13 0.00 -1.47 0.00 0.00 33.84 33.75 3hye n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hye h ALA 230 N 2.01 0.73 0.00 2.33 0.00 -1.17 -0.20 119.26 122.96 3hye h ALA 230 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hye h ALA 230 Cb 0.39 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hye h ALA 230 CO 0.00 -0.37 0.00 0.36 0.00 0.00 0.00 179.25 179.24 3hye n LYS 231 N -5.24 0.19 0.00 0.00 0.00 -1.26 -1.39 118.16 110.46 3hye n LYS 231 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 3hye n LYS 231 Cb 0.39 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 3hye n LYS 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hye n TYR 232 N -0.02 0.00 1.93 5.58 4.02 -0.09 -5.10 117.16 123.49 3hye n TYR 232 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3hye n TYR 232 Cb 0.03 0.00 0.89 0.00 -0.02 0.00 0.00 39.34 40.24 3hye n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96