#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n GLY 7 N 0.00 -0.37 0.18 0.00 0.00 -1.26 -2.44 105.19 101.30 3hye n GLY 7 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3hye n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hye n TYR 8 N -0.84 0.00 0.91 1.61 4.01 -1.26 -3.56 117.16 118.02 3hye n TYR 8 Ca 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.81 3hye n TYR 8 Cb 0.03 -0.13 0.08 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.74 0.00 -0.08 7.72 5.75 -1.02 -1.04 116.55 127.13 3hye n ASP 9 Ca 0.16 -0.82 0.02 0.00 -0.01 0.00 0.00 54.79 54.13 3hye n ASP 9 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3hye n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hye n ARG 10 N -0.59 1.92 -0.10 0.11 1.74 -1.23 -4.55 116.66 113.96 3hye n ARG 10 Ca 0.02 -0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 56.54 3hye n ARG 10 Cb 0.01 -0.90 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 3hye n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hye n HIS 11 N -0.28 0.00 -4.46 -1.55 8.25 -0.21 -4.46 115.22 112.51 3hye n HIS 11 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 3hye n HIS 11 Cb 0.07 -0.83 -0.10 0.00 1.12 0.00 0.00 29.99 30.25 3hye n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3hye s ILE 12 N -2.42 2.25 -1.46 1.59 -4.36 -1.17 -4.93 121.20 110.69 3hye s ILE 12 Ca -0.20 -1.99 -0.12 0.00 -0.26 0.00 0.00 60.65 58.08 3hye s ILE 12 Cb 0.06 -2.87 0.04 0.00 1.25 0.00 0.00 42.46 40.94 3hye s ILE 12 CO 0.58 -0.09 2.34 0.35 0.24 0.00 0.00 174.94 178.36 3hye n THR 13 N -0.97 3.84 -4.46 8.37 -2.24 -1.26 -4.71 114.28 112.84 3hye n THR 13 Ca -0.04 -3.18 -0.24 0.00 -2.27 0.00 0.00 64.05 58.31 3hye n THR 13 Cb 0.65 -2.55 -0.10 0.00 -2.10 0.00 0.00 70.33 66.23 3hye n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hye s ILE 14 N 2.38 2.52 0.55 2.28 -4.36 -1.26 -4.67 121.20 118.64 3hye s ILE 14 Ca 0.51 -2.34 -0.20 0.00 -0.26 0.00 0.00 60.65 58.37 3hye s ILE 14 Cb 0.14 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 3hye s ILE 14 CO -0.07 -0.37 1.18 -0.36 0.24 0.00 0.00 174.94 175.57 3hye s PHE 15 N -2.51 2.55 0.30 1.37 0.08 -1.26 -4.66 117.98 113.85 3hye s PHE 15 Ca 0.31 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.93 3hye s PHE 15 Cb -0.04 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 3hye s PHE 15 CO 0.16 -1.94 0.44 -1.54 -0.10 0.00 0.00 175.22 172.24 3hye s SER 16 N -1.58 6.14 0.66 1.36 1.04 -0.28 -4.89 113.70 116.14 3hye s SER 16 Ca 0.73 -0.01 0.26 0.00 0.48 0.00 0.00 55.95 57.42 3hye s SER 16 Cb -0.29 -1.57 1.41 0.00 0.10 0.00 0.00 66.02 65.67 3hye s SER 16 CO 0.32 -0.28 1.80 -0.65 0.98 0.00 0.00 173.24 175.41 3hye h PRO 17 N 0.97 0.00 -0.19 4.02 0.11 -1.97 1.19 132.00 136.14 3hye h PRO 17 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hye h PRO 17 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hye h PRO 17 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 3hye n GLU 18 N -2.92 1.94 -2.02 1.05 4.71 -1.26 -4.92 120.64 117.23 3hye n GLU 18 Ca -0.01 -1.40 -0.05 0.00 -0.01 0.00 0.00 57.16 55.69 3hye n GLU 18 Cb 0.49 -1.43 -0.00 0.00 -1.01 0.00 0.00 31.44 29.49 3hye n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hye n GLY 19 N 1.23 0.21 3.77 0.62 0.00 0.41 -5.04 105.19 106.40 3hye n GLY 19 Ca 0.17 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.10 2.75 -0.59 1.61 0.52 -1.24 -4.77 118.95 113.13 3hye s ARG 20 Ca 0.00 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 3hye s ARG 20 Cb 0.00 -2.48 0.14 0.00 0.52 0.00 0.00 34.95 33.13 3hye s ARG 20 CO 0.00 0.42 0.35 -0.51 0.02 0.00 0.00 175.30 175.57 3hye s LEU 21 N -3.57 4.49 0.26 2.53 1.43 -1.26 -1.12 118.68 121.44 3hye s LEU 21 Ca 0.32 -3.33 -0.01 0.00 -1.03 0.00 0.00 54.13 50.08 3hye s LEU 21 Cb -0.08 -1.64 0.56 0.00 0.03 0.00 0.00 46.19 45.07 3hye s LEU 21 CO 0.23 -0.18 1.72 1.88 0.23 0.00 0.00 176.35 180.24 3hye h TYR 22 N 6.09 0.60 -0.66 0.29 0.05 -1.85 -1.05 116.97 120.44 3hye h TYR 22 Ca 0.00 0.04 0.08 0.00 0.05 0.00 0.00 58.73 58.90 3hye h TYR 22 Cb 0.84 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.40 3hye h TYR 22 CO 0.58 0.04 0.44 1.96 -1.05 0.00 0.00 178.16 180.13 3hye h GLN 23 N 0.46 0.56 -0.14 4.88 1.08 -1.84 0.32 115.11 120.41 3hye h GLN 23 Ca 0.47 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.47 3hye h GLN 23 Cb 0.78 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3hye h GLN 23 CO -0.44 0.37 -0.63 0.28 -0.95 0.00 0.00 178.83 177.46 3hye h VAL 24 N 0.57 1.34 -0.22 -0.54 2.07 -1.56 -1.25 116.25 116.66 3hye h VAL 24 Ca 0.30 -1.93 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 3hye h VAL 24 Cb 0.41 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3hye h VAL 24 CO -0.09 0.59 -0.04 -0.33 0.02 0.00 0.00 177.57 177.72 3hye h GLU 25 N 0.38 0.41 0.00 1.57 5.08 -0.56 -2.14 114.58 119.32 3hye h GLU 25 Ca -0.01 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3hye h GLU 25 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3hye h GLU 25 CO 0.11 0.64 -0.24 1.88 -1.00 0.00 0.00 179.01 180.41 3hye h TYR 26 N 0.15 0.00 -0.25 4.33 0.05 -0.45 -1.24 116.97 119.57 3hye h TYR 26 Ca 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 3hye h TYR 26 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3hye h TYR 26 CO 0.05 0.24 -0.31 0.00 -1.05 0.00 0.00 178.16 177.09 3hye h ALA 27 N 1.76 1.00 -0.77 3.88 0.00 -0.90 -2.02 119.26 122.22 3hye h ALA 27 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3hye h ALA 27 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hye h ALA 27 CO 0.03 0.60 0.32 0.74 0.00 0.00 0.00 179.25 180.93 3hye h PHE 28 N 0.44 1.15 -0.79 0.00 0.04 -0.59 -2.18 116.94 115.00 3hye h PHE 28 Ca 0.05 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.78 3hye h PHE 28 Cb 0.76 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 3hye h PHE 28 CO 0.03 0.86 0.51 -0.22 -0.60 0.00 0.00 178.31 178.89 3hye h LYS 29 N 1.11 0.95 -0.04 1.51 1.63 -0.84 -1.61 116.57 119.27 3hye h LYS 29 Ca 0.26 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 3hye h LYS 29 Cb 0.19 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3hye h LYS 29 CO -0.02 0.63 0.04 0.00 -3.45 0.00 0.00 179.45 176.65 3hye h ALA 30 N 1.34 1.83 0.00 5.00 0.00 -0.85 -2.58 119.26 123.99 3hye h ALA 30 Ca 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hye h ALA 30 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hye h ALA 30 CO -0.12 -0.06 -0.04 1.79 0.00 0.00 0.00 179.25 180.83 3hye h THR 31 N 0.00 0.65 -0.01 0.00 1.35 -1.16 -1.47 112.91 112.27 3hye h THR 31 Ca 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3hye h THR 31 Cb 0.10 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3hye h THR 31 CO -0.00 0.04 -0.08 0.59 -0.25 0.00 0.00 175.52 175.81 3hye n ASN 32 N -3.95 1.55 -0.23 5.36 3.02 -0.97 -2.76 115.26 117.28 3hye n ASN 32 Ca -0.03 -1.40 0.29 0.00 -0.03 0.00 0.00 54.58 53.42 3hye n ASN 32 Cb 0.13 0.05 0.70 0.00 -0.61 0.00 0.00 39.78 40.04 3hye n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3hye h GLN 33 N 2.31 0.06 -0.00 3.52 4.15 -1.38 0.40 115.11 124.18 3hye h GLN 33 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hye h GLN 33 Cb 0.56 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3hye h GLN 33 CO 0.00 0.04 -0.15 0.25 -1.93 0.00 0.00 178.83 177.04 3hye n THR 34 N -4.29 0.00 -3.63 2.39 -2.24 -1.26 -4.93 114.28 100.32 3hye n THR 34 Ca 0.21 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.64 3hye n THR 34 Cb 1.01 0.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.26 3hye n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hye n ASN 34 N -0.91 -4.29 -4.54 3.42 4.05 0.13 -4.96 115.26 108.16 3hye n ASN 34 Ca 0.13 -0.59 -0.31 0.00 0.45 0.00 0.00 54.58 54.26 3hye n ASN 34 Cb 0.30 -3.49 -0.11 0.00 1.23 0.00 0.00 39.78 37.71 3hye n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hye s ILE 35 N -3.12 3.31 0.05 -1.44 -1.09 -1.26 -4.94 121.20 112.71 3hye s ILE 35 Ca 0.53 -0.98 0.09 0.00 -2.23 0.00 0.00 60.65 58.06 3hye s ILE 35 Cb -0.27 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3hye s ILE 35 CO 0.65 0.34 -0.26 0.20 -1.23 0.00 0.00 174.94 174.65 3hye s ASN 36 N -1.51 3.06 0.06 3.58 0.01 -1.26 -4.19 114.94 114.68 3hye s ASN 36 Ca 0.17 -0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 51.70 3hye s ASN 36 Cb -0.11 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 3hye s ASN 36 CO 0.07 0.23 -0.00 -0.94 -1.51 0.00 0.00 177.10 174.95 3hye s SER 37 N -1.33 0.44 0.08 -1.22 1.04 -0.26 -1.44 113.70 111.02 3hye s SER 37 Ca 0.11 -0.97 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 3hye s SER 37 Cb -0.10 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.27 3hye s SER 37 CO 0.02 -0.62 0.37 -1.48 0.98 0.00 0.00 173.24 172.52 3hye s LEU 38 N -2.92 0.56 0.01 2.42 0.05 0.21 -0.81 118.68 118.19 3hye s LEU 38 Ca 0.08 -0.23 0.01 0.00 0.05 0.00 0.00 54.13 54.04 3hye s LEU 38 Cb 0.08 1.67 -0.01 0.00 -2.05 0.00 0.00 46.19 45.88 3hye s LEU 38 CO -0.10 -0.75 -0.03 0.00 -0.55 0.00 0.00 176.35 174.93 3hye s ALA 39 N -3.20 0.22 0.05 1.48 0.00 0.33 -0.05 121.76 120.59 3hye s ALA 39 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 3hye s ALA 39 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3hye s ALA 39 CO -0.08 0.01 -0.04 0.14 0.00 0.00 0.00 175.76 175.79 3hye s VAL 40 N -0.42 0.27 -0.13 0.00 -7.23 -0.31 -1.72 120.40 110.86 3hye s VAL 40 Ca -0.03 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 3hye s VAL 40 Cb -0.03 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3hye s VAL 40 CO -0.00 -0.80 0.04 -0.13 -0.31 0.00 0.00 175.10 173.90 3hye s ARG 41 N -3.04 3.50 0.00 4.82 0.52 -1.24 -0.92 118.95 122.60 3hye s ARG 41 Ca -0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3hye s ARG 41 Cb 0.01 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.46 3hye s ARG 41 CO -0.06 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.17 3hye n GLY 42 N 2.79 0.67 0.12 -3.53 0.00 0.73 -0.39 105.19 105.58 3hye n GLY 42 Ca -0.18 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3hye n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hye h LYS 43 N 0.00 0.23 -0.11 1.61 3.64 -1.91 -3.40 116.57 116.64 3hye h LYS 43 Ca 0.00 -0.31 -0.18 0.00 -1.27 0.00 0.00 60.65 58.89 3hye h LYS 43 Cb 0.00 0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 31.68 3hye h LYS 43 CO 0.00 1.07 -0.59 -0.40 -2.27 0.00 0.00 179.45 177.26 3hye n ASP 44 N -3.60 -0.28 -3.81 4.20 3.85 -1.26 -4.87 116.55 110.79 3hye n ASP 44 Ca -0.05 -2.09 -0.09 0.00 -0.71 0.00 0.00 54.79 51.85 3hye n ASP 44 Cb 0.90 0.18 -0.04 0.00 -1.35 0.00 0.00 41.12 40.81 3hye n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hye s THR 46 N -3.77 -0.06 0.01 0.00 2.01 0.07 -0.19 115.64 113.71 3hye s THR 46 Ca 0.19 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.48 3hye s THR 46 Cb -0.02 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3hye s THR 46 CO 0.10 0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.24 3hye s VAL 47 N 1.15 2.71 -0.07 3.82 1.01 -0.09 -0.28 120.40 128.65 3hye s VAL 47 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3hye s VAL 47 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3hye s VAL 47 CO -0.04 0.43 -0.06 0.68 0.00 0.00 0.00 175.10 176.12 3hye s VAL 48 N -0.83 0.74 -0.00 2.92 -7.23 -0.68 -1.16 120.40 114.16 3hye s VAL 48 Ca 0.13 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 3hye s VAL 48 Cb -0.10 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 3hye s VAL 48 CO 0.03 0.29 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.44 3hye s ILE 49 N 1.28 3.80 -0.20 -0.62 -1.09 0.93 -1.68 121.20 123.63 3hye s ILE 49 Ca -0.04 -0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 57.55 3hye s ILE 49 Cb -0.14 -2.66 0.06 0.00 -1.58 0.00 0.00 42.46 38.14 3hye s ILE 49 CO -0.02 0.40 0.49 -0.55 -1.23 0.00 0.00 174.94 174.02 3hye s SER 50 N -1.44 -0.64 0.53 3.58 0.15 -0.72 -0.62 113.70 114.54 3hye s SER 50 Ca 0.18 1.07 -0.22 0.00 0.70 0.00 0.00 55.95 57.67 3hye s SER 50 Cb -0.11 0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 65.10 3hye s SER 50 CO 0.08 -0.21 1.36 -1.10 1.20 0.00 0.00 173.24 174.57 3hye s GLN 51 N 1.43 3.26 -0.13 5.44 -0.21 -0.52 -1.09 119.66 127.84 3hye s GLN 51 Ca -0.09 2.23 0.02 0.00 0.02 0.00 0.00 55.36 57.54 3hye s GLN 51 Cb -0.07 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.63 3hye s GLN 51 CO -0.14 -1.10 -0.18 0.21 -2.12 0.00 0.00 175.29 171.96 3hye s LYS 52 N -2.83 2.56 -0.23 2.91 2.20 0.11 -4.77 119.74 119.70 3hye s LYS 52 Ca 0.70 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 55.62 3hye s LYS 52 Cb -0.40 -2.15 0.06 0.00 -1.51 0.00 0.00 37.83 33.83 3hye s LYS 52 CO 0.48 -0.08 -0.01 0.15 -0.36 0.00 0.00 175.35 175.54 3hye s LYS 53 N 1.00 1.23 -0.60 4.03 1.02 -1.26 -4.37 119.74 120.79 3hye s LYS 53 Ca -0.05 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 3hye s LYS 53 Cb -0.15 -2.41 0.16 0.00 -0.52 0.00 0.00 37.83 34.91 3hye s LYS 53 CO -0.03 -0.65 0.42 0.08 -0.92 0.00 0.00 175.35 174.24 3hye s VAL 54 N 1.55 3.68 0.02 3.17 1.01 -1.26 -4.97 120.40 123.60 3hye s VAL 54 Ca -0.03 -2.87 -0.26 0.00 0.00 0.00 0.00 61.98 58.82 3hye s VAL 54 Cb -0.18 -3.41 -0.15 0.00 0.00 0.00 0.00 36.38 32.64 3hye s VAL 54 CO -0.08 -0.86 1.14 1.55 0.00 0.00 0.00 175.10 176.85 3hye h PRO 55 N 7.13 -0.91 -6.69 2.72 0.13 -2.01 -3.44 132.00 128.92 3hye h PRO 55 Ca -0.03 0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.64 3hye h PRO 55 Cb 0.96 0.21 0.07 0.00 0.13 0.00 0.00 31.00 32.36 3hye h PRO 55 CO 0.71 -0.61 0.99 -3.47 -0.23 0.00 0.00 178.00 175.39 3hye n ASP 56 N -5.20 4.00 0.24 1.44 -0.08 -1.26 -4.89 116.55 110.80 3hye n ASP 56 Ca -0.12 1.08 0.14 0.00 -1.51 0.00 0.00 54.79 54.38 3hye n ASP 56 Cb 0.37 -1.58 0.35 0.00 2.34 0.00 0.00 41.12 42.60 3hye n ASP 56 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3hye h LYS 57 N 6.36 0.00 -0.00 -0.67 1.57 -2.06 -3.11 116.57 118.67 3hye h LYS 57 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3hye h LYS 57 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hye h LYS 57 CO 0.92 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 181.07 3hye n LEU 58 N -3.10 0.05 -4.86 2.94 4.77 -1.26 -4.87 117.00 110.68 3hye n LEU 58 Ca 0.03 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 3hye n LEU 58 Cb 0.45 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3hye n LEU 58 CO 0.32 0.01 0.43 -0.76 -1.33 0.00 0.00 177.39 176.06 3hye s LEU 59 N -2.45 3.98 -0.73 2.23 1.43 -1.18 -5.01 118.68 116.96 3hye s LEU 59 Ca 0.32 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.49 3hye s LEU 59 Cb 0.21 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.48 3hye s LEU 59 CO 0.44 -0.27 0.84 -0.62 0.23 0.00 0.00 176.35 176.97 3hye s ASP 60 N -2.54 6.41 0.49 2.29 3.68 -1.26 -4.92 116.67 120.82 3hye s ASP 60 Ca 0.54 -1.81 0.40 0.00 2.13 0.00 0.00 52.55 53.80 3hye s ASP 60 Cb -0.10 -2.31 1.60 0.00 -1.45 0.00 0.00 42.92 40.65 3hye s ASP 60 CO 0.22 -1.01 1.58 -0.65 0.13 0.00 0.00 175.17 175.43 3hye h PRO 61 N 8.84 0.01 0.00 4.34 0.11 -1.95 0.90 132.00 144.25 3hye h PRO 61 Ca -0.10 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3hye h PRO 61 Cb 1.06 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hye h PRO 61 CO 1.04 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.60 3hye h THR 62 N 0.01 0.08 -0.38 -1.15 1.35 -2.05 -2.73 112.91 108.04 3hye h THR 62 Ca 0.91 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 3hye h THR 62 Cb 3.23 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 71.00 3hye h THR 62 CO -0.28 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.36 3hye n THR 63 N -3.15 0.48 -3.43 6.82 -2.24 0.31 -4.81 114.28 108.25 3hye n THR 63 Ca -0.01 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.62 3hye n THR 63 Cb 0.23 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 3hye n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hye s VAL 64 N -1.52 4.91 0.02 2.28 1.01 -1.03 -5.04 120.40 121.03 3hye s VAL 64 Ca 0.38 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 3hye s VAL 64 Cb 0.22 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3hye s VAL 64 CO 0.31 -0.67 0.20 -0.55 0.00 0.00 0.00 175.10 174.40 3hye s SER 65 N 2.79 -0.02 -0.05 3.32 0.15 -1.26 -5.01 113.70 113.62 3hye s SER 65 Ca 0.04 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.53 3hye s SER 65 Cb -0.26 0.27 0.12 0.00 -1.71 0.00 0.00 66.02 64.45 3hye s SER 65 CO 0.04 -0.49 1.00 -1.22 1.20 0.00 0.00 173.24 173.77 3hye n TYR 66 N 0.99 0.00 -4.85 3.44 4.02 -1.26 -5.01 117.16 114.50 3hye n TYR 66 Ca -0.20 -0.56 -0.32 0.00 -0.01 0.00 0.00 57.90 56.80 3hye n TYR 66 Cb 0.57 -0.09 -0.13 0.00 -0.02 0.00 0.00 39.34 39.68 3hye n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hye s ILE 67 N -1.49 3.04 0.03 -0.72 1.01 -1.26 -0.81 121.20 121.01 3hye s ILE 67 Ca 0.13 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3hye s ILE 67 Cb 0.12 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3hye s ILE 67 CO 0.01 0.55 -0.08 -0.36 0.00 0.00 0.00 174.94 175.06 3hye s PHE 68 N -0.77 0.72 -0.55 3.97 0.08 0.11 -4.99 117.98 116.55 3hye s PHE 68 Ca 0.12 -0.36 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 3hye s PHE 68 Cb -0.11 -0.44 0.09 0.00 -0.57 0.00 0.00 43.02 42.00 3hye s PHE 68 CO 0.01 -0.04 0.65 0.00 -0.10 0.00 0.00 175.22 175.74 3hye h ILE 70 N 5.89 1.51 -4.22 0.00 1.08 -1.63 -3.48 117.51 116.66 3hye h ILE 70 Ca -0.29 -2.04 -0.27 0.00 -0.39 0.00 0.00 64.86 61.87 3hye h ILE 70 Cb 1.09 2.76 -0.10 0.00 -3.07 0.00 0.00 36.82 37.51 3hye h ILE 70 CO 1.04 0.57 -0.27 -0.94 -0.69 0.00 0.00 178.15 177.85 3hye s SER 71 N -6.50 0.79 0.44 1.72 1.04 -1.03 -4.56 113.70 105.60 3hye s SER 71 Ca -0.15 -1.43 0.18 0.00 0.48 0.00 0.00 55.95 55.03 3hye s SER 71 Cb 0.02 0.60 1.12 0.00 0.10 0.00 0.00 66.02 67.86 3hye s SER 71 CO 0.77 -1.19 1.89 -0.09 0.98 0.00 0.00 173.24 175.61 3hye h ARG 72 N 2.20 0.34 0.00 4.02 9.65 -1.94 -3.09 114.38 125.56 3hye h ARG 72 Ca -0.28 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.52 3hye h ARG 72 Cb 1.24 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 3hye h ARG 72 CO 0.40 0.23 -1.68 0.25 2.80 0.00 0.00 179.97 181.96 3hye n THR 73 N -4.47 0.22 -3.75 0.20 -2.24 -1.26 -1.72 114.28 101.26 3hye n THR 73 Ca 0.17 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 3hye n THR 73 Cb 0.65 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 3hye n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hye s ILE 74 N -2.78 5.42 0.12 2.28 -1.09 -1.17 -4.46 121.20 119.52 3hye s ILE 74 Ca -0.05 0.24 0.10 0.00 -2.23 0.00 0.00 60.65 58.70 3hye s ILE 74 Cb 0.07 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3hye s ILE 74 CO 0.55 0.49 -0.21 -0.83 -1.23 0.00 0.00 174.94 173.71 3hye s GLY 75 N -0.05 1.64 -0.04 6.18 0.00 0.19 -1.55 107.32 113.68 3hye s GLY 75 Ca 0.11 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.43 3hye s GLY 75 CO 0.00 -1.35 0.08 -0.29 0.00 0.00 0.00 173.10 171.54 3hye s MET 76 N -2.06 0.01 -0.08 2.90 1.75 -0.33 -0.59 119.30 120.89 3hye s MET 76 Ca 0.16 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 3hye s MET 76 Cb -0.10 -0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.28 3hye s MET 76 CO 0.08 -0.20 -0.07 0.54 -0.65 0.00 0.00 175.02 174.73 3hye s VAL 77 N 1.32 3.70 -0.05 10.11 0.11 -0.43 0.08 120.40 135.24 3hye s VAL 77 Ca -0.07 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 3hye s VAL 77 Cb -0.12 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 3hye s VAL 77 CO -0.04 0.58 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.48 3hye s VAL 78 N -0.58 3.12 -0.35 2.04 1.01 0.01 -1.42 120.40 124.25 3hye s VAL 78 Ca 0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3hye s VAL 78 Cb -0.12 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.11 3hye s VAL 78 CO 0.02 0.59 0.08 0.20 0.00 0.00 0.00 175.10 175.99 3hye s ASN 79 N -0.71 5.03 0.00 3.32 -0.87 -0.55 -4.90 114.94 116.25 3hye s ASN 79 Ca 0.11 -1.64 0.00 0.00 -1.57 0.00 0.00 52.86 49.76 3hye s ASN 79 Cb -0.11 -1.75 0.00 0.00 -0.02 0.00 0.00 41.25 39.37 3hye s ASN 79 CO 0.01 -0.38 0.00 0.61 -2.57 0.00 0.00 177.10 174.77 3hye n GLY 80 N 4.58 1.55 3.52 0.66 0.00 -1.11 -1.89 105.19 112.50 3hye n GLY 80 Ca -0.07 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.04 3hye n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hye n PRO 81 N -1.42 0.86 -0.20 1.61 -0.02 -1.26 -4.76 135.00 129.80 3hye n PRO 81 Ca 0.00 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 3hye n PRO 81 Cb 0.00 -1.55 0.19 0.00 -0.02 0.00 0.00 33.50 32.12 3hye n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3hye h ILE 82 N 1.69 1.22 -0.86 4.25 6.09 -1.98 -1.89 117.51 126.03 3hye h ILE 82 Ca -0.36 -0.63 -0.02 0.00 -1.37 0.00 0.00 64.86 62.49 3hye h ILE 82 Cb 1.38 0.35 -0.04 0.00 0.47 0.00 0.00 36.82 38.97 3hye h ILE 82 CO 0.60 0.26 0.47 1.55 -3.07 0.00 0.00 178.15 177.96 3hye h PRO 83 N 0.97 1.20 -0.03 2.19 0.13 -2.00 0.62 132.00 135.09 3hye h PRO 83 Ca 0.24 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3hye h PRO 83 Cb 0.11 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 30.99 3hye h PRO 83 CO -0.03 0.88 -0.60 -0.44 -0.23 0.00 0.00 178.00 177.59 3hye h ASP 84 N 1.20 0.11 -0.41 1.44 3.45 -1.89 -2.44 116.42 117.88 3hye h ASP 84 Ca 0.30 -0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 3hye h ASP 84 Cb 0.04 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3hye h ASP 84 CO -0.05 0.68 -0.12 0.00 -1.57 0.00 0.00 179.24 178.19 3hye h ALA 85 N 1.32 0.90 0.00 3.45 0.00 -0.51 -1.93 119.26 122.49 3hye h ALA 85 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3hye h ALA 85 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3hye h ALA 85 CO 0.08 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.49 3hye h ARG 86 N 0.78 0.00 -0.06 0.00 3.08 -0.78 -1.14 114.38 116.26 3hye h ARG 86 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3hye h ARG 86 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hye h ARG 86 CO 0.04 0.47 -0.03 -0.97 -1.07 0.00 0.00 179.97 178.42 3hye h ASN 87 N 0.00 0.12 -0.74 7.04 -0.00 -1.17 -1.65 115.58 119.19 3hye h ASN 87 Ca -0.00 -0.41 -0.02 0.00 -0.00 0.00 0.00 56.30 55.87 3hye h ASN 87 Cb 1.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 39.33 3hye h ASN 87 CO 0.06 0.50 0.40 0.00 -0.00 0.00 0.00 177.43 178.39 3hye h ALA 88 N 0.62 0.94 -0.37 1.57 0.00 -1.22 -2.24 119.26 118.56 3hye h ALA 88 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hye h ALA 88 Cb 0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hye h ALA 88 CO 0.01 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.90 3hye h ALA 89 N 1.20 0.48 0.03 0.00 0.00 -1.14 0.41 119.26 120.25 3hye h ALA 89 Ca 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hye h ALA 89 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hye h ALA 89 CO -0.04 0.05 -0.01 1.25 0.00 0.00 0.00 179.25 180.49 3hye h LEU 90 N 0.47 -0.03 -0.57 0.00 5.85 -1.12 -0.83 115.31 119.07 3hye h LEU 90 Ca 0.13 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hye h LEU 90 Cb 0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3hye h LEU 90 CO -0.02 0.00 0.32 -0.09 -0.34 0.00 0.00 178.44 178.32 3hye h ARG 91 N -0.07 0.60 -0.69 1.25 9.65 -1.29 -1.11 114.38 122.72 3hye h ARG 91 Ca -0.00 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 3hye h ARG 91 Cb 0.06 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3hye h ARG 91 CO 0.01 0.40 0.31 0.00 2.80 0.00 0.00 179.97 183.48 3hye h ALA 92 N 1.29 1.24 -0.47 2.80 0.00 -0.57 0.45 119.26 123.99 3hye h ALA 92 Ca 0.25 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 92 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hye h ALA 92 CO -0.14 0.57 -0.18 0.87 0.00 0.00 0.00 179.25 180.37 3hye h LYS 93 N 0.99 0.95 -0.35 0.00 1.57 -0.55 0.12 116.57 119.29 3hye h LYS 93 Ca 0.24 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3hye h LYS 93 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hye h LYS 93 CO -0.03 1.06 0.03 0.00 -0.57 0.00 0.00 179.45 179.95 3hye h ALA 94 N 0.86 0.47 -0.81 3.86 0.00 -0.84 -1.20 119.26 121.60 3hye h ALA 94 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hye h ALA 94 Cb 0.75 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3hye h ALA 94 CO 0.06 0.21 0.33 0.93 0.00 0.00 0.00 179.25 180.78 3hye h GLU 95 N 0.43 1.21 -0.62 0.00 4.39 -0.80 -0.73 114.58 118.46 3hye h GLU 95 Ca 0.10 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3hye h GLU 95 Cb 0.41 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3hye h GLU 95 CO 0.01 0.97 0.07 0.00 -1.16 0.00 0.00 179.01 178.90 3hye h ALA 96 N 1.18 0.96 -0.09 3.43 0.00 -0.71 -1.73 119.26 122.31 3hye h ALA 96 Ca 0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hye h ALA 96 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hye h ALA 96 CO -0.02 0.64 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 3hye h ALA 97 N 1.11 0.14 -0.75 0.00 0.00 -0.96 -3.00 119.26 115.80 3hye h ALA 97 Ca 0.19 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hye h ALA 97 Cb 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3hye h ALA 97 CO 0.02 0.06 0.48 1.49 0.00 0.00 0.00 179.25 181.29 3hye h GLU 98 N -0.18 0.90 -0.34 0.00 4.81 -1.08 -2.04 114.58 116.64 3hye h GLU 98 Ca 0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3hye h GLU 98 Cb 0.75 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 3hye h GLU 98 CO 0.04 0.59 0.10 0.35 -0.73 0.00 0.00 179.01 179.36 3hye h PHE 99 N 0.93 0.17 -0.85 0.92 3.04 -1.33 -0.64 116.94 119.17 3hye h PHE 99 Ca 0.30 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.27 3hye h PHE 99 Cb 0.02 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 3hye h PHE 99 CO -0.04 0.06 0.52 -0.09 -2.02 0.00 0.00 178.31 176.74 3hye h ARG 100 N 0.23 1.15 -0.55 1.11 9.65 -1.31 0.48 114.38 125.14 3hye h ARG 100 Ca 0.16 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3hye h ARG 100 Cb 0.16 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 3hye h ARG 100 CO -0.19 0.80 0.17 -0.92 2.80 0.00 0.00 179.97 182.63 3hye h TYR 101 N 1.16 0.89 0.23 2.20 3.20 -0.69 -1.61 116.97 122.36 3hye h TYR 101 Ca 0.31 -0.09 -0.33 0.00 3.14 0.00 0.00 58.73 61.75 3hye h TYR 101 Cb -0.07 -0.26 0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hye h TYR 101 CO -0.00 0.75 -1.51 0.87 -1.64 0.00 0.00 178.16 176.63 3hye h LYS 102 N 0.76 0.48 -0.02 1.82 1.57 -0.90 -3.39 116.57 116.90 3hye h LYS 102 Ca 0.18 -0.83 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3hye h LYS 102 Cb 0.29 0.31 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3hye h LYS 102 CO -0.00 1.40 -0.22 0.66 -0.57 0.00 0.00 179.45 180.71 3hye n TYR 103 N -3.72 0.00 -0.93 -1.35 4.01 0.14 -5.00 117.16 110.31 3hye n TYR 103 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3hye n TYR 103 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 3hye n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hye n GLY 104 N 1.25 1.09 3.27 2.72 0.00 -0.60 -5.00 105.19 107.92 3hye n GLY 104 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hye n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hye s TYR 105 N -3.88 0.94 0.16 1.61 -0.85 -1.25 -5.04 117.35 109.05 3hye s TYR 105 Ca 0.00 -1.21 -0.30 0.00 -0.52 0.00 0.00 57.07 55.03 3hye s TYR 105 Cb 0.00 -0.39 -0.08 0.00 0.38 0.00 0.00 41.96 41.87 3hye s TYR 105 CO 0.00 -0.70 1.30 -0.51 -1.52 0.00 0.00 175.55 174.12 3hye s ASP 106 N -3.11 6.93 0.14 -0.18 -0.00 -1.26 -3.79 116.67 115.40 3hye s ASP 106 Ca 0.33 2.31 -0.31 0.00 -0.00 0.00 0.00 52.55 54.88 3hye s ASP 106 Cb 0.05 -2.60 -0.10 0.00 -0.00 0.00 0.00 42.92 40.27 3hye s ASP 106 CO 0.10 -0.52 1.67 -0.32 -0.00 0.00 0.00 175.17 176.09 3hye s MET 107 N 0.29 4.18 0.53 8.23 -2.45 -1.26 -4.95 119.30 123.87 3hye s MET 107 Ca 0.58 2.44 -0.19 0.00 -1.25 0.00 0.00 55.69 57.27 3hye s MET 107 Cb -0.35 -3.35 -0.06 0.00 1.25 0.00 0.00 34.83 32.32 3hye s MET 107 CO 0.35 -0.71 1.10 -2.14 1.05 0.00 0.00 175.02 174.67 3hye s PRO 108 N 1.86 3.45 0.17 4.11 0.02 -1.26 -4.86 135.00 138.50 3hye s PRO 108 Ca 0.74 1.51 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 3hye s PRO 108 Cb -0.44 -2.03 0.11 0.00 0.02 0.00 0.00 34.50 32.16 3hye s PRO 108 CO 0.33 -0.75 1.68 0.00 -0.33 0.00 0.00 177.00 177.93 3hye h ASP 110 N 0.06 0.46 -0.21 0.00 -0.00 -1.95 -1.08 116.42 113.70 3hye h ASP 110 Ca 0.20 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 3hye h ASP 110 Cb 0.29 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 39.50 3hye h ASP 110 CO -0.37 0.57 -0.23 0.58 -0.00 0.00 0.00 179.24 179.79 3hye h VAL 111 N 0.46 1.33 -0.86 4.15 2.07 -1.73 -0.61 116.25 121.06 3hye h VAL 111 Ca 0.09 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.22 3hye h VAL 111 Cb 0.39 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3hye h VAL 111 CO 0.02 0.43 0.57 0.25 0.02 0.00 0.00 177.57 178.86 3hye h LEU 112 N 0.22 0.99 0.11 2.57 5.85 -0.90 0.11 115.31 124.25 3hye h LEU 112 Ca 0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hye h LEU 112 Cb 0.79 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hye h LEU 112 CO 0.06 0.71 -0.05 0.00 -0.34 0.00 0.00 178.44 178.82 3hye h ALA 113 N 1.46 -0.14 -0.51 1.25 0.00 -0.96 -0.40 119.26 119.95 3hye h ALA 113 Ca 0.32 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3hye h ALA 113 Cb -0.13 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3hye h ALA 113 CO -0.07 -0.54 0.25 -0.22 0.00 0.00 0.00 179.25 178.67 3hye h LYS 114 N -0.23 0.47 -0.08 0.00 3.64 -0.69 0.16 116.57 119.85 3hye h LYS 114 Ca -0.01 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3hye h LYS 114 Cb 0.18 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3hye h LYS 114 CO 0.02 0.31 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.34 3hye h ARG 115 N 0.48 -0.11 -0.45 1.90 9.65 -0.74 0.11 114.38 125.21 3hye h ARG 115 Ca 0.23 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 59.06 3hye h ARG 115 Cb 0.16 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3hye h ARG 115 CO -0.17 -0.08 0.02 0.52 2.80 0.00 0.00 179.97 183.07 3hye h MET 116 N -0.12 0.73 -0.63 0.20 2.86 -0.60 -1.93 114.93 115.44 3hye h MET 116 Ca 0.06 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3hye h MET 116 Cb 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3hye h MET 116 CO -0.15 0.72 0.28 0.00 1.06 0.00 0.00 176.91 178.82 3hye h ALA 117 N 1.34 0.82 -0.64 6.32 0.00 -0.12 -1.27 119.26 125.70 3hye h ALA 117 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hye h ALA 117 Cb 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hye h ALA 117 CO 0.01 0.41 0.31 -0.91 0.00 0.00 0.00 179.25 179.07 3hye h ASN 118 N 0.88 0.84 -0.85 0.00 -0.26 -0.39 0.25 115.58 116.06 3hye h ASN 118 Ca 0.21 -0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 3hye h ASN 118 Cb 0.16 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.16 3hye h ASN 118 CO -0.02 0.74 0.56 -0.07 -1.06 0.00 0.00 177.43 177.57 3hye h LEU 119 N 0.89 0.95 -0.36 1.61 4.07 -1.06 -2.01 115.31 119.41 3hye h LEU 119 Ca 0.22 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 3hye h LEU 119 Cb 0.12 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 3hye h LEU 119 CO -0.03 0.67 0.05 0.28 -1.08 0.00 0.00 178.44 178.34 3hye h SER 120 N 1.12 0.57 -0.97 -0.43 0.02 -0.33 -2.46 113.55 111.06 3hye h SER 120 Ca 0.32 -0.26 0.21 0.00 -0.84 0.00 0.00 61.79 61.22 3hye h SER 120 Cb -0.08 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.23 3hye h SER 120 CO -0.09 0.69 0.62 -0.61 -1.14 0.00 0.00 176.83 176.30 3hye h GLN 121 N 0.43 0.51 -0.35 3.45 -0.00 0.12 -0.87 115.11 118.40 3hye h GLN 121 Ca 0.11 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.62 3hye h GLN 121 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 3hye h GLN 121 CO 0.01 0.34 -0.20 0.82 0.00 0.00 0.00 178.83 179.79 3hye h ILE 122 N 0.52 1.26 0.00 2.39 2.04 -0.90 -2.12 117.51 120.71 3hye h ILE 122 Ca 0.53 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3hye h ILE 122 Cb 1.15 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3hye h ILE 122 CO -0.26 0.42 0.00 1.88 0.00 0.00 0.00 178.15 180.18 3hye h TYR 123 N 0.59 0.00 0.00 1.37 0.05 -1.08 0.17 116.97 118.07 3hye h TYR 123 Ca 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 3hye h TYR 123 Cb 0.67 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 3hye h TYR 123 CO 0.03 0.00 -0.59 1.15 -1.05 0.00 0.00 178.16 177.70 3hye h THR 124 N 0.00 1.18 0.00 -2.88 2.02 -1.05 -3.37 112.91 108.81 3hye h THR 124 Ca 0.00 -2.21 -0.24 0.00 0.77 0.00 0.00 66.41 64.74 3hye h THR 124 Cb 0.48 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 3hye h THR 124 CO 0.00 0.58 -1.89 1.67 0.37 0.00 0.00 175.52 176.25 3hye n GLN 125 N -3.49 1.77 -3.46 6.66 7.27 -0.51 -4.78 117.38 120.83 3hye n GLN 125 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 3hye n GLN 125 Cb 0.67 -1.33 -0.07 0.00 2.41 0.00 0.00 30.24 31.92 3hye n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3hye s ARG 126 N -2.31 4.20 0.41 3.69 0.52 0.47 -4.99 118.95 120.94 3hye s ARG 126 Ca -0.08 0.13 0.09 0.00 -0.52 0.00 0.00 55.73 55.35 3hye s ARG 126 Cb 0.04 -3.50 0.86 0.00 0.52 0.00 0.00 34.95 32.87 3hye s ARG 126 CO 0.52 0.07 1.99 0.00 0.02 0.00 0.00 175.30 177.90 3hye h ALA 127 N 7.13 1.63 0.00 2.13 0.00 -1.87 -3.05 119.26 125.22 3hye h ALA 127 Ca -0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hye h ALA 127 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hye h ALA 127 CO 0.73 0.28 0.00 0.10 0.00 0.00 0.00 179.25 180.36 3hye h TYR 128 N 0.33 0.00 -3.34 0.00 -0.00 -1.94 -3.44 116.97 108.59 3hye h TYR 128 Ca 0.08 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.20 3hye h TYR 128 Cb 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.76 3hye h TYR 128 CO 0.00 0.00 -0.52 -1.64 -0.00 0.00 0.00 178.16 176.00 3hye s MET 129 N -3.18 4.07 0.28 0.10 -1.94 -1.16 -5.10 119.30 112.38 3hye s MET 129 Ca 0.09 -0.28 -0.06 0.00 -1.71 0.00 0.00 55.69 53.73 3hye s MET 129 Cb 0.11 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 3hye s MET 129 CO 0.56 0.24 0.55 -0.98 -0.01 0.00 0.00 175.02 175.38 3hye s ARG 130 N 0.51 3.66 0.81 2.03 1.70 -1.26 -4.67 118.95 121.72 3hye s ARG 130 Ca 0.06 0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.26 3hye s ARG 130 Cb -0.12 -2.65 0.08 0.00 -0.57 0.00 0.00 34.95 31.69 3hye s ARG 130 CO 0.00 0.23 1.09 -2.14 -1.08 0.00 0.00 175.30 173.40 3hye s PRO 131 N -3.43 1.98 -0.11 3.89 0.02 -1.26 -4.87 135.00 131.23 3hye s PRO 131 Ca 0.44 0.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.22 3hye s PRO 131 Cb -0.11 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3hye s PRO 131 CO 0.29 -1.76 0.31 -0.51 -0.33 0.00 0.00 177.00 175.00 3hye s LEU 132 N -5.93 4.33 -1.05 -5.54 1.43 -1.26 -4.98 118.68 105.69 3hye s LEU 132 Ca 0.61 0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 3hye s LEU 132 Cb -0.16 -2.39 -0.14 0.00 0.03 0.00 0.00 46.19 43.52 3hye s LEU 132 CO 0.56 0.21 3.10 0.61 0.23 0.00 0.00 176.35 181.06 3hye n GLY 133 N 2.72 3.75 3.16 -3.19 0.00 -1.26 -4.58 105.19 105.79 3hye n GLY 133 Ca -0.14 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 3hye n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 134 N 1.88 0.16 -0.09 1.61 -7.23 -1.26 -3.32 120.40 112.14 3hye s VAL 134 Ca 0.66 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3hye s VAL 134 Cb 0.22 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3hye s VAL 134 CO -0.04 -0.72 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.18 3hye s ILE 135 N -3.93 1.88 -0.16 -0.62 1.01 -0.79 -3.85 121.20 114.73 3hye s ILE 135 Ca 0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3hye s ILE 135 Cb 0.07 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3hye s ILE 135 CO -0.07 0.52 -0.07 -0.76 0.00 0.00 0.00 174.94 174.56 3hye s LEU 136 N 0.39 2.97 -0.26 2.97 1.43 0.03 -1.48 118.68 124.72 3hye s LEU 136 Ca -0.18 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3hye s LEU 136 Cb -0.17 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.36 3hye s LEU 136 CO 0.08 0.12 -0.03 -0.89 0.23 0.00 0.00 176.35 175.86 3hye s THR 137 N 0.65 3.08 -0.12 5.49 2.01 -0.51 -0.21 115.64 126.04 3hye s THR 137 Ca -0.04 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 3hye s THR 137 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3hye s THR 137 CO 0.02 0.13 0.10 -0.36 -0.69 0.00 0.00 174.62 173.83 3hye s PHE 138 N 1.34 3.47 0.03 4.92 0.40 0.16 -1.32 117.98 126.99 3hye s PHE 138 Ca -0.00 0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.74 3hye s PHE 138 Cb -0.17 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 3hye s PHE 138 CO -0.03 0.60 -0.04 0.14 0.70 0.00 0.00 175.22 176.60 3hye s VAL 139 N -0.78 0.20 0.00 -0.44 -7.23 0.24 -1.34 120.40 111.05 3hye s VAL 139 Ca 0.13 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3hye s VAL 139 Cb -0.12 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3hye s VAL 139 CO 0.03 -0.64 0.00 -1.54 -0.31 0.00 0.00 175.10 172.64 3hye n SER 140 N 1.13 0.00 -3.94 4.85 3.41 -0.97 -0.64 113.62 117.46 3hye n SER 140 Ca -0.21 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.11 3hye n SER 140 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 3hye n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hye s VAL 141 N -2.00 2.74 0.41 -3.33 1.01 -1.26 0.17 120.40 118.14 3hye s VAL 141 Ca 0.00 -3.67 -0.26 0.00 0.00 0.00 0.00 61.98 58.05 3hye s VAL 141 Cb 0.00 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 3hye s VAL 141 CO 0.00 -0.88 1.30 -0.67 0.00 0.00 0.00 175.10 174.85 3hye n ASP 142 N 2.69 2.72 0.22 3.32 2.03 -0.31 -4.63 116.55 122.59 3hye n ASP 142 Ca 0.10 1.13 0.15 0.00 0.52 0.00 0.00 54.79 56.70 3hye n ASP 142 Cb 0.33 -1.51 0.63 0.00 -0.72 0.00 0.00 41.12 39.85 3hye n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hye h GLU 143 N 2.21 0.00 0.00 -0.67 4.11 -1.98 0.54 114.58 118.79 3hye h GLU 143 Ca -0.48 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.75 3hye h GLU 143 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3hye h GLU 143 CO 0.61 0.00 -1.76 0.39 0.07 0.00 0.00 179.01 178.31 3hye n GLU 14 N -2.73 0.68 0.00 1.06 1.02 -1.26 -4.75 120.64 114.67 3hye n GLU 14 Ca 0.01 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 3hye n GLU 14 Cb 0.26 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3hye n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hye n LEU 144 N -2.81 0.69 0.00 -4.62 4.77 -1.23 -5.10 117.00 108.71 3hye n LEU 144 Ca -0.23 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3hye n LEU 144 Cb 0.77 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3hye n LEU 144 CO 0.15 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3hye n GLY 145 N 1.43 -1.56 3.57 -0.72 0.00 0.18 -4.83 105.19 103.25 3hye n GLY 145 Ca 0.02 -1.32 -0.53 0.00 0.00 0.00 0.00 46.02 44.19 3hye n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hye n PRO 146 N -0.03 0.94 -3.86 1.61 -0.02 -1.26 -1.16 135.00 131.22 3hye n PRO 146 Ca 0.00 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3hye n PRO 146 Cb 0.00 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 3hye n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hye s SER 147 N 0.39 0.01 -0.09 2.55 0.01 0.13 -4.86 113.70 111.84 3hye s SER 147 Ca 0.85 0.00 -0.00 0.00 1.31 0.00 0.00 55.95 58.11 3hye s SER 147 Cb -1.01 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 65.24 3hye s SER 147 CO 0.49 -0.01 -0.06 -0.63 0.41 0.00 0.00 173.24 173.44 3hye s ILE 148 N 0.11 0.82 -0.04 1.44 1.01 -1.26 -2.30 121.20 120.98 3hye s ILE 148 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.48 3hye s ILE 148 Cb -0.01 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3hye s ILE 148 CO -0.00 0.33 -0.05 -0.31 0.00 0.00 0.00 174.94 174.90 3hye s TYR 149 N 1.63 0.76 0.00 3.97 2.02 -0.45 -0.97 117.35 124.31 3hye s TYR 149 Ca 0.02 -0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 3hye s TYR 149 Cb -0.13 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 3hye s TYR 149 CO -0.06 -0.16 -0.17 0.21 -1.57 0.00 0.00 175.55 173.81 3hye s LYS 150 N 0.69 1.30 0.07 -0.62 2.20 -1.08 0.38 119.74 122.67 3hye s LYS 150 Ca -0.10 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 54.93 3hye s LYS 150 Cb -0.13 -1.28 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 3hye s LYS 150 CO 0.00 0.34 -0.21 0.95 -0.36 0.00 0.00 175.35 176.07 3hye s THR 151 N -0.50 1.74 0.49 3.43 -4.23 0.71 -3.16 115.64 114.13 3hye s THR 151 Ca 0.06 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3hye s THR 151 Cb -0.07 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3hye s THR 151 CO -0.00 0.13 0.01 1.51 -0.54 0.00 0.00 174.62 175.74 3hye s ASP 152 N -1.44 3.99 0.00 3.99 1.47 -1.00 -0.79 116.67 122.88 3hye s ASP 152 Ca 0.08 -1.63 0.06 0.00 1.18 0.00 0.00 52.55 52.24 3hye s ASP 152 Cb -0.09 0.43 0.30 0.00 -0.34 0.00 0.00 42.92 43.22 3hye s ASP 152 CO 0.03 -0.82 1.07 -2.65 0.68 0.00 0.00 175.17 173.48 3hye n PRO 153 N -1.20 0.07 0.01 2.11 -0.02 -1.25 -1.74 135.00 132.98 3hye n PRO 153 Ca -0.17 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3hye n PRO 153 Cb 0.67 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.84 3hye n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hye n ALA 154 N -1.32 3.58 -0.50 3.55 0.00 -1.26 -4.83 120.51 119.73 3hye n ALA 154 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3hye n ALA 154 Cb 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3hye n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hye n GLY 155 N 1.47 0.75 3.86 0.00 0.00 -0.71 -4.56 105.19 106.00 3hye n GLY 155 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hye s TYR 156 N -2.01 3.40 0.03 1.61 6.14 -1.26 -4.60 117.35 120.66 3hye s TYR 156 Ca 0.00 1.13 -0.28 0.00 0.64 0.00 0.00 57.07 58.57 3hye s TYR 156 Cb 0.00 -2.48 0.07 0.00 0.42 0.00 0.00 41.96 39.98 3hye s TYR 156 CO 0.00 0.08 0.68 1.52 0.64 0.00 0.00 175.55 178.47 3hye s TYR 157 N -2.03 -0.58 0.15 4.97 1.13 -1.26 -2.37 117.35 117.35 3hye s TYR 157 Ca 0.53 0.73 -0.25 0.00 -1.41 0.00 0.00 57.07 56.67 3hye s TYR 157 Cb -0.10 0.48 0.06 0.00 -1.10 0.00 0.00 41.96 41.30 3hye s TYR 157 CO 0.20 -0.69 0.86 0.54 -2.51 0.00 0.00 175.55 173.95 3hye s VAL 158 N -2.33 0.00 0.26 -3.49 0.11 -1.19 -4.99 120.40 108.78 3hye s VAL 158 Ca -0.05 -0.52 -0.09 0.00 -2.93 0.00 0.00 61.98 58.40 3hye s VAL 158 Cb -0.00 -1.67 -0.07 0.00 -1.53 0.00 0.00 36.38 33.10 3hye s VAL 158 CO -0.01 0.00 0.58 -0.83 -3.33 0.00 0.00 175.10 171.51 3hye s GLY 159 N -2.82 2.15 0.07 6.54 0.00 -1.26 -2.64 107.32 109.36 3hye s GLY 159 Ca 0.09 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.54 3hye s GLY 159 CO -0.01 -0.18 -0.13 -0.19 0.00 0.00 0.00 173.10 172.59 3hye s TYR 160 N -1.93 1.13 0.12 1.90 1.51 -0.14 -4.99 117.35 114.94 3hye s TYR 160 Ca 0.47 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.03 3hye s TYR 160 Cb -0.11 -0.63 -0.14 0.00 -0.11 0.00 0.00 41.96 40.96 3hye s TYR 160 CO 0.24 0.04 1.27 0.87 -1.11 0.00 0.00 175.55 176.85 3hye h LYS 161 N 4.20 0.23 -2.12 -0.62 1.57 -1.88 -3.37 116.57 114.58 3hye h LYS 161 Ca -0.40 -0.32 0.13 0.00 -1.87 0.00 0.00 60.65 58.20 3hye h LYS 161 Cb 1.19 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.45 3hye h LYS 161 CO 0.42 1.08 0.55 0.00 -0.57 0.00 0.00 179.45 180.93 3hye s ALA 162 N -2.96 -1.87 0.23 3.86 0.00 -1.26 -3.61 121.76 116.16 3hye s ALA 162 Ca -0.03 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 3hye s ALA 162 Cb 0.09 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.52 3hye s ALA 162 CO 0.85 -0.65 0.70 -0.08 0.00 0.00 0.00 175.76 176.58 3hye s THR 163 N -2.90 0.00 0.04 0.00 -1.32 -0.70 -4.98 115.64 105.79 3hye s THR 163 Ca 0.05 -0.67 -0.06 0.00 -1.21 0.00 0.00 61.69 59.81 3hye s THR 163 Cb -0.01 -1.68 -0.01 0.00 -1.51 0.00 0.00 72.50 69.29 3hye s THR 163 CO -0.08 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.44 3hye s ALA 164 N -3.83 -0.09 -0.09 11.08 0.00 -1.26 -0.51 121.76 127.06 3hye s ALA 164 Ca 0.08 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3hye s ALA 164 Cb -0.04 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3hye s ALA 164 CO 0.00 -0.32 0.32 0.99 0.00 0.00 0.00 175.76 176.75 3hye s THR 165 N -2.63 0.02 -2.49 0.00 2.01 0.01 -4.91 115.64 107.65 3hye s THR 165 Ca -0.05 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.82 3hye s THR 165 Cb -0.01 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.00 3hye s THR 165 CO -0.05 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 3hye n GLY 166 N 2.45 0.75 0.24 4.40 0.00 -1.26 -1.10 105.19 110.67 3hye n GLY 166 Ca -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 46.02 43.76 3hye n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hye h PRO 167 N 8.08 0.28 -0.93 1.61 0.11 -1.89 -1.98 132.00 137.28 3hye h PRO 167 Ca 0.00 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.54 3hye h PRO 167 Cb 0.00 -0.06 -0.29 0.00 0.11 0.00 0.00 31.00 30.76 3hye h PRO 167 CO 0.00 0.18 0.61 1.63 -0.21 0.00 0.00 178.00 180.21 3hye n LYS 168 N -5.11 2.45 -0.10 1.05 5.02 -1.26 -4.65 118.16 115.56 3hye n LYS 168 Ca 0.10 -3.19 -0.06 0.00 -2.02 0.00 0.00 58.31 53.14 3hye n LYS 168 Cb 0.34 -2.20 0.01 0.00 -0.02 0.00 0.00 35.03 33.16 3hye n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3hye h GLN 169 N 1.45 0.07 -0.61 1.97 -0.00 -1.65 -2.88 115.11 113.46 3hye h GLN 169 Ca 0.58 -0.00 0.07 0.00 -0.00 0.00 0.00 58.65 59.30 3hye h GLN 169 Cb 1.89 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 29.29 3hye h GLN 169 CO 1.22 0.05 0.28 0.37 0.00 0.00 0.00 178.83 180.75 3hye h GLN 170 N 0.07 0.50 -0.72 1.69 5.75 -1.84 0.16 115.11 120.72 3hye h GLN 170 Ca 0.17 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3hye h GLN 170 Cb 0.24 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3hye h GLN 170 CO -0.30 0.33 0.35 0.93 -2.65 0.00 0.00 178.83 177.50 3hye h GLU 171 N 0.52 1.03 -0.36 1.69 3.07 -1.88 -1.19 114.58 117.46 3hye h GLU 171 Ca 0.29 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 3hye h GLU 171 Cb 0.27 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3hye h GLU 171 CO -0.23 0.81 -0.02 0.82 -1.40 0.00 0.00 179.01 178.98 3hye h ILE 172 N 1.01 1.26 0.03 3.13 2.04 -1.25 -2.00 117.51 121.74 3hye h ILE 172 Ca 0.25 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3hye h ILE 172 Cb 0.11 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3hye h ILE 172 CO -0.03 0.34 -0.10 0.74 0.00 0.00 0.00 178.15 179.10 3hye h THR 173 N 0.46 0.76 -0.64 -0.27 2.02 -0.70 -0.11 112.91 114.43 3hye h THR 173 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3hye h THR 173 Cb 0.50 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3hye h THR 173 CO 0.02 0.00 0.24 0.71 0.37 0.00 0.00 175.52 176.86 3hye h THR 174 N -0.19 1.23 0.37 3.16 1.35 -1.22 0.27 112.91 117.89 3hye h THR 174 Ca 0.03 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.14 3hye h THR 174 Cb 0.21 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 3hye h THR 174 CO -0.07 0.29 -0.27 -1.13 -0.25 0.00 0.00 175.52 174.09 3hye h ASN 175 N 0.92 -0.70 -0.65 5.36 -0.73 -0.97 -0.59 115.58 118.23 3hye h ASN 175 Ca 0.21 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.46 3hye h ASN 175 Cb 0.20 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.97 3hye h ASN 175 CO -0.02 -0.41 0.41 -0.07 -0.37 0.00 0.00 177.43 176.97 3hye h LEU 176 N -0.64 0.67 -0.36 0.34 3.38 -0.60 -2.22 115.31 115.88 3hye h LEU 176 Ca -0.03 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hye h LEU 176 Cb 0.54 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3hye h LEU 176 CO 0.01 0.47 0.00 -0.33 0.09 0.00 0.00 178.44 178.68 3hye h GLU 177 N 0.80 0.10 -0.56 1.13 5.08 -0.20 -1.80 114.58 119.12 3hye h GLU 177 Ca 0.26 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3hye h GLU 177 Cb 0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3hye h GLU 177 CO -0.10 0.06 0.33 -0.91 -1.00 0.00 0.00 179.01 177.39 3hye h ASN 178 N 0.10 0.52 -0.61 1.42 -0.26 -0.69 -2.44 115.58 113.61 3hye h ASN 178 Ca 0.17 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3hye h ASN 178 Cb 0.24 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.36 3hye h ASN 178 CO -0.29 0.36 0.36 -0.74 -1.06 0.00 0.00 177.43 176.06 3hye h HIS 179 N 0.65 0.66 0.00 1.19 2.76 -0.82 -2.22 115.15 117.37 3hye h HIS 179 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3hye h HIS 179 Cb 0.06 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3hye h HIS 179 CO -0.07 0.35 -0.01 1.19 -1.30 0.00 0.00 177.93 178.09 3hye n PHE 17 N -4.77 0.00 0.00 5.26 3.72 -0.74 -0.69 117.46 120.25 3hye n PHE 17 Ca 0.06 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 3hye n PHE 17 Cb 0.12 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 3hye n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hye n LYS 17 N 1.79 0.00 0.28 -1.08 4.81 -0.84 -1.25 118.16 121.86 3hye n LYS 17 Ca 0.04 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.60 3hye n LYS 17 Cb 0.38 0.00 0.79 0.00 0.02 0.00 0.00 35.03 36.22 3hye n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hye h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.18 -3.46 113.55 116.69 3hye h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hye h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hye h SER 17 CO 0.00 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 3hye n LYS 17 N -3.90 -0.73 -4.50 4.77 5.02 -0.38 -4.97 118.16 113.48 3hye n LYS 17 Ca -0.03 0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 3hye n LYS 17 Cb 0.15 -4.06 -0.10 0.00 -0.02 0.00 0.00 35.03 30.99 3hye n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hye s ILE 18 N -1.67 2.21 -0.47 -0.18 -4.36 -1.26 -5.07 121.20 110.40 3hye s ILE 18 Ca 0.00 -2.26 0.04 0.00 -0.26 0.00 0.00 60.65 58.17 3hye s ILE 18 Cb 0.00 -2.49 0.64 0.00 1.25 0.00 0.00 42.46 41.86 3hye s ILE 18 CO 0.00 -0.29 1.91 -0.90 0.24 0.00 0.00 174.94 175.90 3hye n ASP 18 N -0.70 4.12 -3.63 4.36 5.75 -1.26 -4.83 116.55 120.36 3hye n ASP 18 Ca -0.05 -3.64 -0.04 0.00 -0.01 0.00 0.00 54.79 51.05 3hye n ASP 18 Cb 0.62 -0.85 -0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3hye n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3hye s HIS 18 N -3.35 -0.07 -0.51 2.11 -3.43 -1.26 -4.83 115.29 103.94 3hye s HIS 18 Ca 0.57 -0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 54.33 3hye s HIS 18 Cb 0.48 0.67 0.04 0.00 -1.43 0.00 0.00 32.58 32.34 3hye s HIS 18 CO 0.09 -0.92 0.77 0.42 -2.00 0.00 0.00 174.74 173.11 3hye s ILE 18 N -3.03 4.65 -0.30 -5.38 1.09 0.48 -5.01 121.20 113.68 3hye s ILE 18 Ca 0.14 0.01 -0.28 0.00 -1.10 0.00 0.00 60.65 59.42 3hye s ILE 18 Cb -0.02 -4.39 -0.02 0.00 -1.06 0.00 0.00 42.46 36.97 3hye s ILE 18 CO 0.04 -0.89 1.83 0.21 -0.10 0.00 0.00 174.94 176.03 3hye s ASN 184 N 2.60 5.89 0.00 3.58 3.04 -1.26 -3.21 114.94 125.57 3hye s ASN 184 Ca 0.24 1.40 0.00 0.00 0.04 0.00 0.00 52.86 54.54 3hye s ASN 184 Cb -0.15 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.04 3hye s ASN 184 CO 0.17 -1.70 0.00 -0.62 -3.04 0.00 0.00 177.10 171.91 3hye n GLU 18 N 8.41 2.34 -4.21 0.43 4.71 -1.26 -5.00 120.64 126.06 3hye n GLU 18 Ca 0.23 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 57.03 3hye n GLU 18 Cb 0.46 -0.73 -0.09 0.00 -1.01 0.00 0.00 31.44 30.08 3hye n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hye s SER 18 N -1.56 5.55 0.43 1.62 1.04 -1.26 -4.87 113.70 114.65 3hye s SER 18 Ca 0.00 0.21 0.18 0.00 0.48 0.00 0.00 55.95 56.82 3hye s SER 18 Cb 0.00 -1.69 0.97 0.00 0.10 0.00 0.00 66.02 65.40 3hye s SER 18 CO 0.00 0.35 1.91 4.11 0.98 0.00 0.00 173.24 180.59 3hye h TRP 186 N 5.35 0.00 -0.48 5.02 5.08 -1.99 -2.75 115.95 126.19 3hye h TRP 186 Ca -0.49 0.00 0.08 0.00 1.08 0.00 0.00 58.89 59.55 3hye h TRP 186 Cb 1.20 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.29 3hye h TRP 186 CO 0.65 0.27 0.11 0.93 -1.28 0.00 0.00 178.44 179.12 3hye h GLU 187 N 0.00 0.25 -0.17 0.12 3.07 -1.99 0.43 114.58 116.29 3hye h GLU 187 Ca -0.00 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 3hye h GLU 187 Cb 0.55 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3hye h GLU 187 CO 0.03 0.16 -0.40 0.87 -1.40 0.00 0.00 179.01 178.28 3hye h LYS 188 N 0.25 0.38 -0.50 2.33 1.79 -1.92 -1.13 116.57 117.77 3hye h LYS 188 Ca 0.24 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 3hye h LYS 188 Cb 0.30 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3hye h LYS 188 CO -0.29 0.72 -0.11 0.28 -1.08 0.00 0.00 179.45 178.96 3hye h VAL 189 N 0.31 1.27 -0.77 0.50 2.07 -1.00 0.15 116.25 118.78 3hye h VAL 189 Ca 0.03 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3hye h VAL 189 Cb 0.84 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3hye h VAL 189 CO 0.07 0.44 0.48 0.58 0.02 0.00 0.00 177.57 179.16 3hye h VAL 190 N 0.82 1.21 -0.57 2.57 2.07 0.01 0.07 116.25 122.44 3hye h VAL 190 Ca 0.13 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3hye h VAL 190 Cb 0.67 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3hye h VAL 190 CO 0.05 0.22 0.23 -0.33 0.02 0.00 0.00 177.57 177.75 3hye h GLU 191 N 1.06 0.86 -0.08 1.57 5.08 -0.65 -0.47 114.58 121.94 3hye h GLU 191 Ca 0.28 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hye h GLU 191 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3hye h GLU 191 CO -0.05 0.74 0.01 0.35 -1.00 0.00 0.00 179.01 179.06 3hye h PHE 192 N 0.79 0.02 -0.29 4.33 3.04 -0.25 0.95 116.94 125.53 3hye h PHE 192 Ca 0.19 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.21 3hye h PHE 192 Cb 0.21 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.64 3hye h PHE 192 CO 0.01 0.01 -0.28 0.00 -2.02 0.00 0.00 178.31 176.03 3hye h ALA 193 N 1.06 -0.16 -0.54 2.41 0.00 -0.52 -1.18 119.26 120.34 3hye h ALA 193 Ca 0.04 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hye h ALA 193 Cb 0.03 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hye h ALA 193 CO -0.05 -0.69 0.15 0.82 0.00 0.00 0.00 179.25 179.48 3hye h ILE 194 N -0.26 1.24 0.09 0.00 2.04 -0.82 -1.70 117.51 118.10 3hye h ILE 194 Ca 0.15 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3hye h ILE 194 Cb 0.50 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3hye h ILE 194 CO -0.44 0.31 -0.34 0.74 0.00 0.00 0.00 178.15 178.42 3hye h THR 195 N 0.75 0.28 0.00 -0.27 2.02 -0.19 -0.13 112.91 115.38 3hye h THR 195 Ca 0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3hye h THR 195 Cb 0.31 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hye h THR 195 CO -0.00 0.00 -0.11 0.45 0.37 0.00 0.00 175.52 176.22 3hye h HIS 196 N -0.55 0.00 -0.06 3.16 3.86 -1.20 -0.69 115.15 119.67 3hye h HIS 196 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3hye h HIS 196 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 3hye h HIS 196 CO -0.32 0.11 0.01 1.98 0.86 0.00 0.00 177.93 180.58 3hye h MET 197 N 0.00 0.11 0.14 2.45 -1.53 -0.30 -1.76 114.93 114.03 3hye h MET 197 Ca -0.00 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 3hye h MET 197 Cb 0.40 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.43 3hye h MET 197 CO 0.01 0.33 -0.07 0.82 0.14 0.00 0.00 176.91 178.15 3hye h ILE 198 N -0.13 0.91 -0.06 1.77 2.04 -0.19 -0.75 117.51 121.09 3hye h ILE 198 Ca 0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3hye h ILE 198 Cb 0.27 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3hye h ILE 198 CO 0.00 0.04 -0.30 0.44 0.00 0.00 0.00 178.15 178.33 3hye h ASP 199 N -0.26 -0.91 -0.69 1.72 3.45 -1.15 0.64 116.42 119.21 3hye h ASP 199 Ca -0.02 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3hye h ASP 199 Cb 0.21 0.38 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 3hye h ASP 199 CO 0.03 -0.35 0.27 0.00 -1.57 0.00 0.00 179.24 177.62 3hye h ALA 200 N 0.39 1.14 -0.00 3.45 0.00 -1.28 -2.88 119.26 120.08 3hye h ALA 200 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hye h ALA 200 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hye h ALA 200 CO -0.29 0.61 -0.40 1.28 0.00 0.00 0.00 179.25 180.45 3hye n LEU 201 N -4.29 0.80 -3.68 0.00 4.77 -0.29 -4.77 117.00 109.53 3hye n LEU 201 Ca 0.06 -0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 3hye n LEU 201 Cb 0.19 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3hye n LEU 201 CO 0.40 0.17 0.16 0.61 -1.33 0.00 0.00 177.39 177.40 3hye n GLY 202 N 1.42 -0.52 3.06 -0.72 0.00 0.22 -4.98 105.19 103.67 3hye n GLY 202 Ca 0.09 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 3hye n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 203 N -3.28 0.44 0.19 2.61 2.01 -1.08 -5.05 115.64 111.47 3hye s THR 203 Ca 0.60 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3hye s THR 203 Cb -0.28 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3hye s THR 203 CO 0.74 -0.51 0.41 -0.70 -0.69 0.00 0.00 174.62 173.87 3hye s GLU 204 N -1.99 3.58 0.01 4.92 2.56 -1.26 -4.49 118.70 122.04 3hye s GLU 204 Ca -0.08 -0.18 0.05 0.00 0.00 0.00 0.00 54.97 54.76 3hye s GLU 204 Cb -0.07 -2.81 -0.02 0.00 2.00 0.00 0.00 34.13 33.23 3hye s GLU 204 CO -0.01 0.40 -0.15 -0.06 -0.56 0.00 0.00 175.26 174.87 3hye s PHE 205 N -1.82 1.36 0.47 5.30 0.40 -1.26 -5.09 117.98 117.34 3hye s PHE 205 Ca 0.40 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 3hye s PHE 205 Cb -0.11 -0.84 0.09 0.00 0.51 0.00 0.00 43.02 42.66 3hye s PHE 205 CO 0.27 0.01 0.65 -1.13 0.70 0.00 0.00 175.22 175.73 3hye n SER 206 N 2.30 1.26 0.22 1.36 3.41 -1.26 -4.97 113.62 115.94 3hye n SER 206 Ca -0.16 -1.97 0.15 0.00 -0.26 0.00 0.00 58.87 56.63 3hye n SER 206 Cb 0.55 -0.38 0.57 0.00 -0.26 0.00 0.00 64.21 64.69 3hye n SER 206 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hye h LYS 207 N 0.00 0.00 -0.59 4.33 2.10 -1.94 -2.99 116.57 117.48 3hye h LYS 207 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3hye h LYS 207 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 3hye h LYS 207 CO 0.27 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.81 3hye n ASN 208 N -2.82 3.76 -0.00 7.07 3.02 -1.26 -4.17 115.26 120.86 3hye n ASN 208 Ca 0.02 -2.10 0.10 0.00 -0.03 0.00 0.00 54.58 52.57 3hye n ASN 208 Cb 0.31 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 38.93 3hye n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hye n ASP 209 N 1.16 0.89 -4.74 6.41 10.43 -1.13 -4.72 116.55 124.84 3hye n ASP 209 Ca 0.21 -0.89 -0.29 0.00 2.57 0.00 0.00 54.79 56.38 3hye n ASP 209 Cb 0.61 1.10 -0.07 0.00 1.84 0.00 0.00 41.12 44.60 3hye n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hye s LEU 210 N -3.15 2.66 -0.20 0.64 1.43 -1.26 0.08 118.68 118.88 3hye s LEU 210 Ca 0.06 -1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 51.64 3hye s LEU 210 Cb 0.16 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.47 3hye s LEU 210 CO 0.87 -0.73 0.49 -0.70 0.23 0.00 0.00 176.35 176.51 3hye s GLU 211 N -3.90 0.47 0.04 1.70 2.12 -0.25 -4.48 118.70 114.40 3hye s GLU 211 Ca 0.24 0.94 0.05 0.00 0.36 0.00 0.00 54.97 56.56 3hye s GLU 211 Cb 0.04 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 3hye s GLU 211 CO 0.13 -0.17 -0.14 0.08 -0.54 0.00 0.00 175.26 174.62 3hye s VAL 212 N 1.62 1.12 -0.00 3.70 1.01 -1.26 -1.76 120.40 124.82 3hye s VAL 212 Ca -0.09 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3hye s VAL 212 Cb -0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3hye s VAL 212 CO -0.15 -0.01 -0.09 -0.83 0.00 0.00 0.00 175.10 174.03 3hye s GLY 213 N -1.18 0.43 -0.02 4.51 0.00 -0.68 -1.29 107.32 109.10 3hye s GLY 213 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.37 3hye s GLY 213 CO 0.01 -0.34 -0.11 0.14 0.00 0.00 0.00 173.10 172.80 3hye s VAL 214 N -0.26 0.91 -0.12 1.40 1.01 0.22 -1.69 120.40 121.87 3hye s VAL 214 Ca 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3hye s VAL 214 Cb -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3hye s VAL 214 CO -0.00 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.19 3hye s ALA 215 N -0.07 2.43 0.32 5.51 0.00 0.62 -0.54 121.76 130.02 3hye s ALA 215 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3hye s ALA 215 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3hye s ALA 215 CO 0.00 0.22 0.16 0.95 0.00 0.00 0.00 175.76 177.09 3hye s THR 216 N 0.43 0.37 -0.15 0.00 -4.23 0.25 -0.75 115.64 111.55 3hye s THR 216 Ca -0.13 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.01 3hye s THR 216 Cb -0.17 -2.50 -0.14 0.00 1.34 0.00 0.00 72.50 71.03 3hye s THR 216 CO 0.06 0.00 1.78 1.17 -0.54 0.00 0.00 174.62 177.08 3hye n LYS 217 N -0.62 1.66 -1.19 3.99 3.00 -1.26 -1.23 118.16 122.50 3hye n LYS 217 Ca 0.00 0.61 -0.07 0.00 -0.00 0.00 0.00 58.31 58.86 3hye n LYS 217 Cb 0.65 -2.37 -0.03 0.00 0.00 0.00 0.00 35.03 33.28 3hye n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hye n ASP 218 N 5.68 -5.30 -3.60 3.14 8.00 -1.26 -4.96 116.55 118.25 3hye n ASP 218 Ca 0.24 0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.78 3hye n ASP 218 Cb 0.21 -3.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 3hye n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hye s LYS 220 N -2.33 0.70 -0.04 -1.24 2.20 -0.37 -4.70 119.74 113.95 3hye s LYS 220 Ca 0.00 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 3hye s LYS 220 Cb 0.00 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 3hye s LYS 220 CO 0.00 -0.15 -0.09 0.12 -0.36 0.00 0.00 175.35 174.87 3hye s PHE 221 N -0.37 1.05 0.10 4.03 2.19 -0.70 0.86 117.98 125.14 3hye s PHE 221 Ca -0.01 -0.32 -0.09 0.00 0.33 0.00 0.00 56.93 56.83 3hye s PHE 221 Cb -0.03 -0.80 0.00 0.00 -1.31 0.00 0.00 43.02 40.88 3hye s PHE 221 CO 0.00 -0.19 0.21 -0.59 1.83 0.00 0.00 175.22 176.49 3hye s PHE 222 N 0.58 0.14 0.06 10.12 -0.12 0.30 -4.91 117.98 124.14 3hye s PHE 222 Ca -0.10 -0.56 0.03 0.00 -0.05 0.00 0.00 56.93 56.25 3hye s PHE 222 Cb -0.13 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3hye s PHE 222 CO 0.01 -0.56 0.01 0.95 -0.05 0.00 0.00 175.22 175.58 3hye s THR 223 N -3.86 4.15 0.57 -4.49 -4.23 -1.26 0.69 115.64 107.20 3hye s THR 223 Ca 0.06 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.66 3hye s THR 223 Cb 0.05 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 3hye s THR 223 CO -0.10 0.21 0.94 -0.76 -0.54 0.00 0.00 174.62 174.37 3hye s LEU 224 N -2.05 3.37 0.43 4.79 1.43 -0.41 -4.96 118.68 121.28 3hye s LEU 224 Ca 0.24 1.21 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3hye s LEU 224 Cb -0.12 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.90 3hye s LEU 224 CO 0.16 -0.78 0.61 -0.94 0.23 0.00 0.00 176.35 175.63 3hye s SER 225 N -4.16 5.72 0.26 2.29 1.04 -1.26 -4.68 113.70 112.90 3hye s SER 225 Ca 0.52 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 3hye s SER 225 Cb -0.11 -1.11 0.54 0.00 0.10 0.00 0.00 66.02 65.43 3hye s SER 225 CO 0.50 -0.73 1.75 0.00 0.98 0.00 0.00 173.24 175.74 3hye h ALA 226 N 0.53 1.24 -0.36 5.32 0.00 -1.97 0.25 119.26 124.27 3hye h ALA 226 Ca -0.44 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3hye h ALA 226 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hye h ALA 226 CO 0.52 -0.14 -0.36 0.93 0.00 0.00 0.00 179.25 180.20 3hye h GLU 227 N 0.56 0.84 -0.35 0.00 4.39 -1.93 0.76 114.58 118.84 3hye h GLU 227 Ca 0.46 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3hye h GLU 227 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3hye h GLU 227 CO -0.39 1.06 0.09 -0.91 -1.16 0.00 0.00 179.01 177.71 3hye h ASN 228 N 0.70 0.47 -0.04 1.42 -0.26 -1.58 -2.06 115.58 114.22 3hye h ASN 228 Ca 0.07 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3hye h ASN 228 Cb 0.92 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3hye h ASN 228 CO 0.08 0.47 -0.07 0.40 -1.06 0.00 0.00 177.43 177.26 3hye h ILE 229 N 0.51 1.41 -0.75 2.81 2.04 -0.63 -2.95 117.51 119.95 3hye h ILE 229 Ca 0.12 -1.32 0.14 0.00 1.00 0.00 0.00 64.86 64.80 3hye h ILE 229 Cb 0.19 2.19 -0.09 0.00 -0.74 0.00 0.00 36.82 38.36 3hye h ILE 229 CO -0.00 0.36 0.30 -0.08 0.00 0.00 0.00 178.15 178.73 3hye h GLU 230 N -0.37 0.44 -0.13 2.37 4.57 -0.54 0.63 114.58 121.57 3hye h GLU 230 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3hye h GLU 230 Cb 0.61 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3hye h GLU 230 CO 0.02 0.29 0.09 1.49 -1.18 0.00 0.00 179.01 179.71 3hye h GLU 231 N 0.45 0.13 -0.06 1.92 4.81 -1.36 0.38 114.58 120.84 3hye h GLU 231 Ca 0.41 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 3hye h GLU 231 Cb 0.60 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3hye h GLU 231 CO -0.39 0.08 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.60 3hye h ARG 232 N 0.13 0.30 -0.77 1.92 9.65 0.31 -2.89 114.38 123.04 3hye h ARG 232 Ca 0.05 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 3hye h ARG 232 Cb 0.04 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3hye h ARG 232 CO -0.01 0.89 0.39 -0.07 2.80 0.00 0.00 179.97 183.96 3hye h LEU 233 N -0.20 0.98 -0.36 3.80 4.07 -0.00 -2.63 115.31 120.96 3hye h LEU 233 Ca -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3hye h LEU 233 Cb 0.94 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3hye h LEU 233 CO 0.06 0.81 0.16 0.58 -1.08 0.00 0.00 178.44 178.97 3hye h VAL 234 N 1.08 1.18 -0.29 1.22 2.07 -0.99 -2.18 116.25 118.34 3hye h VAL 234 Ca 0.27 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hye h VAL 234 Cb 0.08 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3hye h VAL 234 CO -0.04 0.19 0.16 0.00 0.02 0.00 0.00 177.57 177.90 3hye h ALA 235 N 1.01 0.36 0.00 1.67 0.00 -1.28 -2.08 119.26 118.94 3hye h ALA 235 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 235 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hye h ALA 235 CO -0.01 -0.21 -0.18 -0.84 0.00 0.00 0.00 179.25 178.01 3hye h ILE 236 N 0.34 0.69 -0.31 0.00 3.07 -1.39 -2.39 117.51 117.51 3hye h ILE 236 Ca 0.11 -0.74 -0.12 0.00 1.55 0.00 0.00 64.86 65.67 3hye h ILE 236 Cb 0.01 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 3hye h ILE 236 CO -0.06 0.17 -0.30 0.00 -1.05 0.00 0.00 178.15 176.91 3hye h ALA 237 N 1.82 0.89 -0.18 0.16 0.00 -0.72 -3.07 119.26 118.16 3hye h ALA 237 Ca -0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 3hye h ALA 237 Cb 0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3hye h ALA 237 CO 0.02 0.63 0.11 0.39 0.00 0.00 0.00 179.25 180.39 3hye n GLU 238 N -4.08 1.45 0.00 0.00 1.02 -0.90 -2.78 120.64 115.35 3hye n GLU 238 Ca -0.01 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 3hye n GLU 238 Cb 0.46 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3hye n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hye n GLN 239 N 1.23 2.13 0.00 3.49 7.27 -1.16 -5.05 117.38 125.28 3hye n GLN 239 Ca 0.17 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.32 3hye n GLN 239 Cb 0.58 -0.34 0.06 0.00 2.41 0.00 0.00 30.24 32.95 3hye n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88