#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxy s LYS 2 N 0.00 4.51 0.76 4.33 1.02 -1.26 -5.07 119.74 124.03 3hxy s LYS 2 Ca 0.00 1.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.96 3hxy s LYS 2 Cb 0.00 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.06 3hxy s LYS 2 CO 0.00 0.47 1.09 -1.54 -0.92 0.00 0.00 175.35 174.45 3hxy s SER 3 N -0.73 4.89 0.25 2.83 1.04 -1.26 -4.82 113.70 115.90 3hxy s SER 3 Ca 0.36 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 58.02 3hxy s SER 3 Cb -0.22 -2.03 0.37 0.00 0.10 0.00 0.00 66.02 64.23 3hxy s SER 3 CO 0.24 -1.71 1.86 0.74 0.98 0.00 0.00 173.24 175.35 3hxy h THR 4 N -0.91 1.04 -0.55 2.02 2.02 -1.96 -1.10 112.91 113.47 3hxy h THR 4 Ca -0.46 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 3hxy h THR 4 Cb 1.26 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3hxy h THR 4 CO 0.61 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.82 3hxy h ALA 5 N 1.43 1.20 -0.12 6.16 0.00 -1.93 -0.50 119.26 125.50 3hxy h ALA 5 Ca 0.40 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3hxy h ALA 5 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hxy h ALA 5 CO -0.18 0.55 -0.50 0.93 0.00 0.00 0.00 179.25 180.05 3hxy h GLU 6 N 0.82 0.31 -0.25 0.00 5.08 -1.74 -1.98 114.58 116.81 3hxy h GLU 6 Ca 0.18 -0.18 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3hxy h GLU 6 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hxy h GLU 6 CO -0.00 0.74 -0.60 0.82 -1.00 0.00 0.00 179.01 178.97 3hxy h ILE 7 N 0.25 1.28 -0.46 3.13 2.04 -0.83 -0.27 117.51 122.64 3hxy h ILE 7 Ca 0.01 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 3hxy h ILE 7 Cb 0.97 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3hxy h ILE 7 CO 0.08 0.58 0.24 -0.09 0.00 0.00 0.00 178.15 178.96 3hxy h ARG 8 N 0.63 0.65 -0.25 2.37 2.43 -1.03 -2.15 114.38 117.04 3hxy h ARG 8 Ca -0.00 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 3hxy h ARG 8 Cb 1.21 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3hxy h ARG 8 CO 0.13 0.54 -0.54 0.37 -1.51 0.00 0.00 179.97 178.96 3hxy h GLN 9 N 0.60 0.73 -0.88 0.20 5.75 -1.32 -2.78 115.11 117.40 3hxy h GLN 9 Ca 0.16 -0.46 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 3hxy h GLN 9 Cb 0.09 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3hxy h GLN 9 CO -0.02 1.08 0.57 0.00 -2.65 0.00 0.00 178.83 177.80 3hxy h ALA 10 N 0.83 1.12 -0.10 3.38 0.00 -0.93 0.35 119.26 123.90 3hxy h ALA 10 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hxy h ALA 10 Cb 1.12 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hxy h ALA 10 CO 0.11 0.55 0.06 0.35 0.00 0.00 0.00 179.25 180.32 3hxy h PHE 11 N 1.20 0.13 -0.48 0.00 3.57 -1.33 0.78 116.94 120.82 3hxy h PHE 11 Ca 0.32 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3hxy h PHE 11 Cb -0.11 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3hxy h PHE 11 CO -0.01 0.12 0.10 -0.07 -2.23 0.00 0.00 178.31 176.23 3hxy h LEU 12 N 0.11 0.74 -0.88 0.59 3.38 -1.18 -2.80 115.31 115.27 3hxy h LEU 12 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3hxy h LEU 12 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3hxy h LEU 12 CO -0.01 0.79 0.44 0.44 0.09 0.00 0.00 178.44 180.19 3hxy h ASP 13 N 0.66 1.12 0.19 -0.43 3.32 -0.20 0.25 116.42 121.33 3hxy h ASP 13 Ca 0.15 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3hxy h ASP 13 Cb 0.35 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3hxy h ASP 13 CO 0.00 0.93 -0.29 0.15 -1.72 0.00 0.00 179.24 178.31 3hxy h PHE 14 N 1.24 -0.79 0.00 4.55 3.57 -0.64 -0.98 116.94 123.88 3hxy h PHE 14 Ca 0.30 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 3hxy h PHE 14 Cb 0.09 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3hxy h PHE 14 CO 0.01 -0.41 -0.63 0.74 -2.23 0.00 0.00 178.31 175.79 3hxy h PHE 15 N -0.55 0.00 -0.51 0.41 0.04 -1.39 -2.65 116.94 112.28 3hxy h PHE 15 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 3hxy h PHE 15 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 3hxy h PHE 15 CO -0.23 0.63 0.08 1.25 -0.60 0.00 0.00 178.31 179.44 3hxy h HIS 16 N 0.00 0.84 0.00 -0.55 2.76 -0.78 0.92 115.15 118.34 3hxy h HIS 16 Ca -0.01 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3hxy h HIS 16 Cb 1.23 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3hxy h HIS 16 CO 0.00 0.73 0.00 0.66 -1.30 0.00 0.00 177.93 178.02 3hxy h SER 17 N 0.76 0.00 -0.65 3.26 4.64 -0.96 -2.60 113.55 118.01 3hxy h SER 17 Ca 0.16 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3hxy h SER 17 Cb 0.35 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 3hxy h SER 17 CO 0.01 0.00 0.24 0.29 -0.87 0.00 0.00 176.83 176.50 3hxy n LYS 18 N -2.57 3.40 -1.01 4.77 4.76 -0.49 -4.90 118.16 122.12 3hxy n LYS 18 Ca 0.03 -2.66 -0.00 0.00 -2.87 0.00 0.00 58.31 52.81 3hxy n LYS 18 Cb 0.33 -2.10 -0.00 0.00 -1.84 0.00 0.00 35.03 31.42 3hxy n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxy n GLY 19 N -0.08 0.46 3.76 0.72 0.00 -0.98 -5.01 105.19 104.07 3hxy n GLY 19 Ca 0.36 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3hxy n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxy s HIS 20 N -1.99 3.79 -0.05 1.61 3.76 0.20 -4.78 115.29 117.83 3hxy s HIS 20 Ca 0.00 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 3hxy s HIS 20 Cb 0.00 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 3hxy s HIS 20 CO 0.00 0.39 1.22 -1.14 -0.85 0.00 0.00 174.74 174.35 3hxy s GLN 21 N -0.51 4.35 -0.42 1.40 2.00 -0.03 -4.21 119.66 122.23 3hxy s GLN 21 Ca 0.36 1.69 -0.29 0.00 -2.00 0.00 0.00 55.36 55.12 3hxy s GLN 21 Cb -0.21 -3.56 0.03 0.00 0.80 0.00 0.00 33.01 30.07 3hxy s GLN 21 CO 0.23 -0.46 1.11 0.08 -0.50 0.00 0.00 175.29 175.75 3hxy s VAL 22 N 2.23 4.32 -0.09 1.34 1.01 -1.26 -0.82 120.40 127.12 3hxy s VAL 22 Ca 0.56 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 3hxy s VAL 22 Cb -0.25 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 3hxy s VAL 22 CO 0.22 -0.82 -0.05 -0.69 0.00 0.00 0.00 175.10 173.76 3hxy s VAL 23 N 4.16 3.82 0.64 2.92 1.01 -0.85 -4.96 120.40 127.14 3hxy s VAL 23 Ca 0.47 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 3hxy s VAL 23 Cb -0.09 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3hxy s VAL 23 CO 0.26 0.57 1.17 0.00 0.00 0.00 0.00 175.10 177.10 3hxy s ALA 24 N -0.49 2.43 0.39 5.51 0.00 -1.26 -4.43 121.76 123.91 3hxy s ALA 24 Ca 0.08 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 3hxy s ALA 24 Cb -0.12 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 3hxy s ALA 24 CO 0.02 -1.33 1.41 0.45 0.00 0.00 0.00 175.76 176.31 3hxy s SER 25 N -2.00 6.28 0.78 0.00 0.15 -1.26 -4.96 113.70 112.69 3hxy s SER 25 Ca 0.73 2.88 -0.10 0.00 0.70 0.00 0.00 55.95 60.16 3hxy s SER 25 Cb -0.26 -2.66 0.08 0.00 -1.71 0.00 0.00 66.02 61.47 3hxy s SER 25 CO 0.38 -0.89 1.13 -0.94 1.20 0.00 0.00 173.24 174.11 3hxy s SER 26 N -0.41 4.57 0.84 5.45 1.04 -1.26 -5.00 113.70 118.93 3hxy s SER 26 Ca 0.55 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 3hxy s SER 26 Cb -0.43 -1.18 0.10 0.00 0.10 0.00 0.00 66.02 64.61 3hxy s SER 26 CO 0.57 -1.83 1.10 -0.55 0.98 0.00 0.00 173.24 173.52 3hxy s SER 27 N -4.57 3.84 0.32 7.02 0.15 -1.26 -4.67 113.70 114.54 3hxy s SER 27 Ca 0.62 1.86 0.26 0.00 0.70 0.00 0.00 55.95 59.39 3hxy s SER 27 Cb -0.11 -2.48 0.90 0.00 -1.71 0.00 0.00 66.02 62.63 3hxy s SER 27 CO 0.48 -2.46 1.77 -0.07 1.20 0.00 0.00 173.24 174.15 3hxy h LEU 28 N -1.43 0.00 -8.88 3.45 3.38 -1.90 -3.43 115.31 106.51 3hxy h LEU 28 Ca -0.45 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.89 3hxy h LEU 28 Cb 1.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 3hxy h LEU 28 CO 0.49 0.00 -0.14 -0.69 0.09 0.00 0.00 178.44 178.19 3hxy s VAL 29 N -3.29 5.11 0.50 1.22 1.01 -1.26 -0.97 120.40 122.72 3hxy s VAL 29 Ca 0.06 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 3hxy s VAL 29 Cb 0.10 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3hxy s VAL 29 CO 0.53 0.02 1.33 -2.84 0.00 0.00 0.00 175.10 174.14 3hxy s PRO 30 N 2.20 3.41 -0.71 2.72 0.02 -1.26 -4.91 135.00 136.46 3hxy s PRO 30 Ca 0.17 2.17 -0.25 0.00 0.02 0.00 0.00 61.00 63.11 3hxy s PRO 30 Cb -0.16 -2.39 0.05 0.00 0.02 0.00 0.00 34.50 32.02 3hxy s PRO 30 CO 0.11 -0.96 1.16 -1.01 -0.33 0.00 0.00 177.00 175.97 3hxy s HIS 31 N -1.33 2.43 -1.42 6.54 3.76 -1.26 -4.24 115.29 119.77 3hxy s HIS 31 Ca 0.67 -0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 55.24 3hxy s HIS 31 Cb -0.39 -4.51 0.04 0.00 1.11 0.00 0.00 32.58 28.84 3hxy s HIS 31 CO 0.47 -1.92 1.04 -1.71 -0.85 0.00 0.00 174.74 171.77 3hxy n ASN 32 N 8.75 -4.93 -3.32 1.40 5.15 -1.26 -4.96 115.26 116.10 3hxy n ASN 32 Ca 0.01 -0.68 -0.26 0.00 -0.60 0.00 0.00 54.58 53.05 3hxy n ASN 32 Cb 0.48 -4.45 -0.09 0.00 -0.53 0.00 0.00 39.78 35.19 3hxy n ASN 32 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hxy n ASP 33 N -2.95 0.04 -4.12 1.20 4.64 -1.26 -5.10 116.55 108.99 3hxy n ASP 33 Ca -0.03 -2.57 -0.32 0.00 -1.38 0.00 0.00 54.79 50.49 3hxy n ASP 33 Cb 0.56 -0.60 -0.16 0.00 -1.04 0.00 0.00 41.12 39.88 3hxy n ASP 33 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3hxy s PRO 34 N -0.62 2.84 6.46 -0.67 0.04 -1.26 -1.74 135.00 140.05 3hxy s PRO 34 Ca 0.34 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.60 3hxy s PRO 34 Cb 0.10 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3hxy s PRO 34 CO -0.15 -0.11 0.00 0.25 0.04 0.00 0.00 177.00 177.03 3hxy n THR 35 N 4.34 0.00 -1.68 1.26 -2.24 -1.26 -5.06 114.28 109.64 3hxy n THR 35 Ca -0.20 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.13 3hxy n THR 35 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 3hxy n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3hxy n LEU 36 N 0.00 3.25 0.01 3.22 7.94 -0.71 -4.89 117.00 125.82 3hxy n LEU 36 Ca 0.00 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.89 3hxy n LEU 36 Cb 0.00 -1.45 -0.09 0.00 0.53 0.00 0.00 43.42 42.41 3hxy n LEU 36 CO 0.00 -0.33 0.66 0.25 -1.11 0.00 0.00 177.39 176.85 3hxy h LEU 37 N 4.95 -0.03 -7.88 -1.96 5.85 -1.90 -3.46 115.31 110.87 3hxy h LEU 37 Ca -0.45 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 57.73 3hxy h LEU 37 Cb 1.26 0.01 -0.20 0.00 0.37 0.00 0.00 40.66 42.10 3hxy h LEU 37 CO 0.81 0.37 -0.59 -0.36 -0.34 0.00 0.00 178.44 178.33 3hxy s PHE 38 N -4.56 0.17 0.10 1.25 0.08 -1.26 -4.61 117.98 109.15 3hxy s PHE 38 Ca -0.15 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.21 3hxy s PHE 38 Cb 0.02 -0.13 -0.10 0.00 -0.57 0.00 0.00 43.02 42.24 3hxy s PHE 38 CO 0.66 -0.25 1.89 0.99 -0.10 0.00 0.00 175.22 178.41 3hxy s THR 39 N -1.63 2.68 0.00 0.64 2.01 -0.15 -4.83 115.64 114.37 3hxy s THR 39 Ca -0.14 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3hxy s THR 39 Cb -0.08 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3hxy s THR 39 CO -0.01 -0.00 0.24 -0.46 -0.69 0.00 0.00 174.62 173.70 3hxy n ASN 40 N 6.37 0.48 -3.84 3.53 0.23 -1.26 -1.24 115.26 119.53 3hxy n ASN 40 Ca 0.19 -0.75 -0.09 0.00 -0.53 0.00 0.00 54.58 53.39 3hxy n ASN 40 Cb 0.39 0.34 -0.07 0.00 -2.08 0.00 0.00 39.78 38.36 3hxy n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxy s ALA 41 N -0.34 -0.30 0.01 -2.53 0.00 -1.26 -4.80 121.76 112.54 3hxy s ALA 41 Ca 0.00 -0.53 0.25 0.00 0.00 0.00 0.00 51.96 51.68 3hxy s ALA 41 Cb 0.00 0.48 0.85 0.00 0.00 0.00 0.00 23.12 24.44 3hxy s ALA 41 CO 0.00 -0.50 1.79 0.78 0.00 0.00 0.00 175.76 177.83 3hxy h GLY 42 N 2.80 0.00 2.00 0.00 0.00 -1.89 -3.18 103.07 102.79 3hxy h GLY 42 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hxy h GLY 42 CO 0.55 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.09 3hxy h MET 43 N 0.00 0.00 -0.71 4.80 -0.00 -1.97 -3.37 114.93 113.69 3hxy h MET 43 Ca -0.00 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 59.85 3hxy h MET 43 Cb 0.80 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.29 3hxy h MET 43 CO 0.02 0.00 0.16 -0.91 -0.00 0.00 0.00 176.91 176.18 3hxy h ASN 44 N 0.00 0.00 0.67 -0.10 4.21 -1.99 0.17 115.58 118.55 3hxy h ASN 44 Ca 0.00 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.65 3hxy h ASN 44 Cb 0.68 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.07 3hxy h ASN 44 CO 0.00 -0.03 0.00 0.00 -1.29 0.00 0.00 177.43 176.11 3hxy n GLN 45 N -5.15 0.08 -0.17 0.81 10.64 -1.26 -2.61 117.38 119.72 3hxy n GLN 45 Ca 0.13 0.11 0.06 0.00 -1.83 0.00 0.00 57.00 55.47 3hxy n GLN 45 Cb 0.43 -1.50 0.15 0.00 -0.86 0.00 0.00 30.24 28.46 3hxy n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hxy n PHE 46 N -1.45 0.45 -0.17 2.61 3.72 0.54 -4.77 117.46 118.40 3hxy n PHE 46 Ca 0.07 -0.47 -0.04 0.00 -0.05 0.00 0.00 57.45 56.95 3hxy n PHE 46 Cb 0.24 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.77 3hxy n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxy h LYS 47 N 2.07 -0.12 0.00 -1.08 3.64 -1.11 -0.49 116.57 119.49 3hxy h LYS 47 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hxy h LYS 47 Cb 0.72 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3hxy h LYS 47 CO 0.00 -0.08 0.00 -0.44 -2.27 0.00 0.00 179.45 176.66 3hxy h ASP 48 N -0.13 0.00 -0.06 4.20 3.32 -1.86 -2.03 116.42 119.87 3hxy h ASP 48 Ca 0.23 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.07 3hxy h ASP 48 Cb 0.50 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3hxy h ASP 48 CO -0.59 0.00 -0.78 0.58 -1.72 0.00 0.00 179.24 176.72 3hxy h VAL 49 N 0.00 1.30 -0.28 -1.35 2.07 -1.20 -0.10 116.25 116.69 3hxy h VAL 49 Ca 0.00 -2.02 -0.08 0.00 0.82 0.00 0.00 66.70 65.42 3hxy h VAL 49 Cb 0.55 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3hxy h VAL 49 CO 0.00 0.63 -0.16 -0.26 0.02 0.00 0.00 177.57 177.81 3hxy h PHE 50 N 0.48 0.53 0.00 1.57 0.04 -0.90 -2.72 116.94 115.95 3hxy h PHE 50 Ca -0.05 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3hxy h PHE 50 Cb 1.40 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 3hxy h PHE 50 CO 0.08 0.62 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.33 3hxy h LEU 51 N 0.45 0.00 0.00 1.54 3.38 -1.29 -3.44 115.31 115.94 3hxy h LEU 51 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hxy h LEU 51 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hxy h LEU 51 CO 0.03 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3hxy n GLY 52 N 0.69 0.72 0.16 0.83 0.00 -0.65 -4.64 105.19 102.30 3hxy n GLY 52 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3hxy n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hxy h LEU 53 N 0.00 0.00 -7.92 0.99 3.38 -1.32 -3.45 115.31 106.98 3hxy h LEU 53 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3hxy h LEU 53 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 3hxy h LEU 53 CO 0.00 0.11 -0.76 -0.62 0.09 0.00 0.00 178.44 177.27 3hxy s ASP 54 N -5.91 0.66 0.07 -0.43 2.15 -0.59 -4.98 116.67 107.64 3hxy s ASP 54 Ca 0.03 -0.11 0.07 0.00 0.43 0.00 0.00 52.55 52.98 3hxy s ASP 54 Cb 0.07 -0.07 -0.03 0.00 -0.30 0.00 0.00 42.92 42.59 3hxy s ASP 54 CO 0.73 0.07 -0.19 -0.75 -0.17 0.00 0.00 175.17 174.86 3hxy s LYS 55 N -0.15 1.16 0.33 4.34 2.20 -1.26 -3.73 119.74 122.63 3hxy s LYS 55 Ca 0.02 -1.01 0.08 0.00 -0.36 0.00 0.00 55.97 54.70 3hxy s LYS 55 Cb -0.02 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 3hxy s LYS 55 CO -0.00 0.32 0.23 1.03 -0.36 0.00 0.00 175.35 176.56 3hxy s ARG 56 N -1.54 2.59 0.48 4.03 1.81 -1.26 -5.01 118.95 120.05 3hxy s ARG 56 Ca 0.05 -1.39 0.24 0.00 -1.72 0.00 0.00 55.73 52.91 3hxy s ARG 56 Cb -0.09 -2.36 1.21 0.00 -0.45 0.00 0.00 34.95 33.26 3hxy s ARG 56 CO 0.03 0.11 1.98 -0.97 -0.68 0.00 0.00 175.30 175.77 3hxy h ASN 57 N 1.38 0.00 -3.10 0.23 -1.24 -2.02 -3.43 115.58 107.41 3hxy h ASN 57 Ca -0.44 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 55.93 3hxy h ASN 57 Cb 1.25 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.22 3hxy h ASN 57 CO 0.60 0.18 -0.57 -0.72 -1.29 0.00 0.00 177.43 175.63 3hxy s TYR 58 N -4.09 3.29 -1.69 0.67 -0.85 -1.26 -5.01 117.35 108.40 3hxy s TYR 58 Ca -0.02 0.16 0.19 0.00 -0.52 0.00 0.00 57.07 56.88 3hxy s TYR 58 Cb 0.13 -1.69 -0.01 0.00 0.38 0.00 0.00 41.96 40.76 3hxy s TYR 58 CO 0.62 0.55 0.95 -1.13 -1.52 0.00 0.00 175.55 175.02 3hxy n SER 59 N 0.68 1.78 -3.80 -0.18 3.41 -1.26 -4.92 113.62 109.33 3hxy n SER 59 Ca -0.09 -1.39 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 3hxy n SER 59 Cb 0.52 0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.84 3hxy n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxy s ARG 60 N -2.17 0.21 0.10 4.33 1.70 -1.26 -0.10 118.95 121.76 3hxy s ARG 60 Ca 0.15 0.30 -0.03 0.00 -0.47 0.00 0.00 55.73 55.68 3hxy s ARG 60 Cb 0.15 0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 3hxy s ARG 60 CO 0.49 -0.05 0.06 0.00 -1.08 0.00 0.00 175.30 174.72 3hxy s ALA 61 N 0.28 0.55 -0.07 7.88 0.00 -0.35 -0.85 121.76 129.20 3hxy s ALA 61 Ca -0.02 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 3hxy s ALA 61 Cb -0.03 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.74 3hxy s ALA 61 CO -0.01 -0.47 0.17 -0.08 0.00 0.00 0.00 175.76 175.37 3hxy s THR 62 N -3.98 -0.02 0.05 0.00 -1.32 -0.00 0.55 115.64 110.92 3hxy s THR 62 Ca 0.16 0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.69 3hxy s THR 62 Cb 0.07 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 3hxy s THR 62 CO -0.04 0.03 -0.01 0.42 -2.21 0.00 0.00 174.62 172.81 3hxy s THR 63 N 0.57 0.20 -0.67 5.08 -4.23 -0.45 -2.00 115.64 114.13 3hxy s THR 63 Ca -0.04 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3hxy s THR 63 Cb -0.05 -1.33 0.17 0.00 1.34 0.00 0.00 72.50 72.63 3hxy s THR 63 CO -0.03 -0.90 0.48 -0.55 -0.54 0.00 0.00 174.62 173.08 3hxy s SER 64 N -2.70 5.15 -0.09 3.99 0.15 -1.26 -1.16 113.70 117.78 3hxy s SER 64 Ca 0.04 -3.19 -0.26 0.00 0.70 0.00 0.00 55.95 53.23 3hxy s SER 64 Cb 0.05 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 3hxy s SER 64 CO -0.09 -0.27 0.84 -1.58 1.20 0.00 0.00 173.24 173.34 3hxy s GLN 65 N -0.55 4.41 0.04 5.44 2.00 -0.67 -4.48 119.66 125.85 3hxy s GLN 65 Ca 0.20 1.09 -0.30 0.00 -2.00 0.00 0.00 55.36 54.35 3hxy s GLN 65 Cb -0.17 -3.50 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 3hxy s GLN 65 CO -0.06 -0.13 1.10 -0.98 -0.50 0.00 0.00 175.29 174.72 3hxy s ARG 66 N 1.43 4.49 0.06 1.67 1.70 -1.26 0.05 118.95 127.10 3hxy s ARG 66 Ca 0.42 1.62 0.07 0.00 -0.47 0.00 0.00 55.73 57.37 3hxy s ARG 66 Cb -0.18 -3.39 -0.03 0.00 -0.57 0.00 0.00 34.95 30.78 3hxy s ARG 66 CO 0.18 -0.16 -0.18 0.00 -1.08 0.00 0.00 175.30 174.06 3hxy s VAL 68 N -0.99 1.39 -0.70 0.00 1.01 -0.38 -1.37 120.40 119.36 3hxy s VAL 68 Ca 0.04 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3hxy s VAL 68 Cb -0.09 -1.32 0.19 0.00 0.00 0.00 0.00 36.38 35.15 3hxy s VAL 68 CO 0.02 0.43 0.56 0.54 0.00 0.00 0.00 175.10 176.65 3hxy n ARG 69 N 4.77 2.00 -0.05 2.72 1.74 -0.14 -4.47 116.66 123.24 3hxy n ARG 69 Ca -0.16 -4.53 0.02 0.00 -0.77 0.00 0.00 57.85 52.41 3hxy n ARG 69 Cb 0.50 -2.29 0.03 0.00 -1.02 0.00 0.00 32.46 29.68 3hxy n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hxy n ALA 70 N 1.74 1.88 -3.50 7.54 0.00 -1.24 -1.73 120.51 125.20 3hxy n ALA 70 Ca 0.22 -1.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.32 3hxy n ALA 70 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 3hxy n ALA 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hxy s GLY 71 N -1.22 -0.48 0.00 0.00 0.00 -1.20 -4.87 107.32 99.55 3hxy s GLY 71 Ca 0.07 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3hxy s GLY 71 CO 0.01 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.07 3hxy n GLY 72 N -0.21 -2.39 7.00 0.20 0.00 -1.26 -4.08 105.19 104.45 3hxy n GLY 72 Ca -0.10 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.75 3hxy n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hxy n LYS 73 N -0.21 0.00 -3.50 1.61 0.00 -1.26 -3.94 118.16 110.86 3hxy n LYS 73 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.91 3hxy n LYS 73 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 3hxy n LYS 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3hxy s HIS 74 N 0.00 3.22 -0.14 5.64 3.76 -1.26 -5.05 115.29 121.47 3hxy s HIS 74 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 3hxy s HIS 74 Cb 0.00 -2.51 0.04 0.00 1.11 0.00 0.00 32.58 31.22 3hxy s HIS 74 CO 0.00 -0.31 -0.04 1.21 -0.85 0.00 0.00 174.74 174.76 3hxy s ASN 75 N 1.73 2.41 0.00 1.40 2.47 -1.25 -3.25 114.94 118.45 3hxy s ASN 75 Ca 0.09 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.90 3hxy s ASN 75 Cb -0.17 -0.75 0.00 0.00 -1.45 0.00 0.00 41.25 38.88 3hxy s ASN 75 CO 0.11 -0.19 0.89 0.47 -3.72 0.00 0.00 177.10 174.66 3hxy n ASP 76 N 4.97 1.62 -0.26 -4.21 8.00 -0.70 -4.70 116.55 121.26 3hxy n ASP 76 Ca -0.11 -1.79 -0.02 0.00 0.71 0.00 0.00 54.79 53.59 3hxy n ASP 76 Cb 0.49 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.76 3hxy n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxy h LEU 77 N 0.00 0.98 -0.15 0.64 5.85 -1.87 -2.18 115.31 118.58 3hxy h LEU 77 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hxy h LEU 77 Cb 0.56 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3hxy h LEU 77 CO 0.00 0.77 -0.03 -0.62 -0.34 0.00 0.00 178.44 178.21 3hxy n GLU 78 N -4.36 0.82 0.03 1.25 -0.58 -1.26 -2.84 120.64 113.69 3hxy n GLU 78 Ca 0.09 -0.15 0.05 0.00 -0.42 0.00 0.00 57.16 56.72 3hxy n GLU 78 Cb 0.08 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 3hxy n GLU 78 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hxy n ASN 79 N -0.96 0.55 -4.66 1.62 3.02 -0.83 -4.80 115.26 109.21 3hxy n ASN 79 Ca 0.18 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 3hxy n ASN 79 Cb 0.22 0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 40.15 3hxy n ASN 79 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hxy n VAL 80 N -2.65 0.70 -0.00 2.41 0.31 -1.13 -0.95 118.33 117.02 3hxy n VAL 80 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3hxy n VAL 80 Cb 0.72 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3hxy n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hxy n GLY 81 N 4.68 0.74 0.05 2.92 0.00 -1.26 -4.85 105.19 107.47 3hxy n GLY 81 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3hxy n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxy n TYR 82 N -2.00 0.00 -3.85 1.61 4.01 -0.13 -4.71 117.16 112.09 3hxy n TYR 82 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3hxy n TYR 82 Cb 0.00 -0.51 -0.05 0.00 -0.31 0.00 0.00 39.34 38.47 3hxy n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxy s THR 83 N -2.25 2.73 -2.53 -0.72 -4.23 -0.79 -5.03 115.64 102.82 3hxy s THR 83 Ca -0.08 -1.51 0.26 0.00 -1.18 0.00 0.00 61.69 59.18 3hxy s THR 83 Cb 0.03 -3.02 0.32 0.00 1.34 0.00 0.00 72.50 71.18 3hxy s THR 83 CO 0.40 -0.06 1.48 0.00 -0.54 0.00 0.00 174.62 175.90 3hxy n ALA 84 N -1.36 2.71 -0.27 3.99 0.00 -1.26 -4.45 120.51 119.86 3hxy n ALA 84 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3hxy n ALA 84 Cb 0.62 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3hxy n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxy n ARG 85 N 0.47 1.07 -4.47 0.00 1.85 -1.26 -0.43 116.66 113.89 3hxy n ARG 85 Ca 0.15 -0.19 -0.34 0.00 -1.00 0.00 0.00 57.85 56.48 3hxy n ARG 85 Cb 0.45 -0.61 -0.12 0.00 -1.05 0.00 0.00 32.46 31.13 3hxy n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxy s HIS 86 N -0.21 3.00 0.32 2.89 3.76 -1.26 -4.95 115.29 118.84 3hxy s HIS 86 Ca 0.00 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 3hxy s HIS 86 Cb 0.00 -1.90 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 3hxy s HIS 86 CO 0.00 0.04 -0.01 -1.01 -0.85 0.00 0.00 174.74 172.91 3hxy s HIS 87 N 0.10 2.06 -0.14 1.40 3.76 -1.26 -4.47 115.29 116.74 3hxy s HIS 87 Ca -0.01 -0.78 -0.14 0.00 -0.15 0.00 0.00 55.06 53.98 3hxy s HIS 87 Cb -0.14 -1.28 -0.11 0.00 1.11 0.00 0.00 32.58 32.16 3hxy s HIS 87 CO 0.03 0.22 0.19 1.79 -0.85 0.00 0.00 174.74 176.12 3hxy h THR 88 N 2.14 0.64 -3.38 1.30 1.35 -1.85 -3.44 112.91 109.67 3hxy h THR 88 Ca -0.41 -1.58 -0.60 0.00 -0.55 0.00 0.00 66.41 63.27 3hxy h THR 88 Cb 1.24 1.31 -0.11 0.00 -1.73 0.00 0.00 68.15 68.86 3hxy h THR 88 CO 0.70 0.22 -0.35 0.12 -0.25 0.00 0.00 175.52 175.96 3hxy s PHE 89 N -2.06 3.41 0.10 4.73 5.36 -1.26 -0.97 117.98 127.31 3hxy s PHE 89 Ca -0.14 0.51 -0.17 0.00 -0.96 0.00 0.00 56.93 56.16 3hxy s PHE 89 Cb 0.01 -2.35 0.04 0.00 -0.34 0.00 0.00 43.02 40.38 3hxy s PHE 89 CO 0.35 0.16 0.42 -0.59 -1.46 0.00 0.00 175.22 174.10 3hxy s PHE 90 N 0.73 -0.25 -0.22 10.12 -0.12 -0.47 -4.89 117.98 122.87 3hxy s PHE 90 Ca 0.15 0.02 -0.12 0.00 -0.05 0.00 0.00 56.93 56.93 3hxy s PHE 90 Cb -0.13 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 3hxy s PHE 90 CO 0.04 -0.68 0.22 -1.21 -0.05 0.00 0.00 175.22 173.54 3hxy s GLU 91 N -3.43 4.11 -0.40 1.99 2.02 -1.26 -0.07 118.70 121.65 3hxy s GLU 91 Ca 0.01 -0.14 -0.15 0.00 0.02 0.00 0.00 54.97 54.70 3hxy s GLU 91 Cb 0.01 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.73 3hxy s GLU 91 CO -0.09 0.07 0.32 1.41 0.02 0.00 0.00 175.26 176.98 3hxy s MET 92 N 1.03 3.05 -0.14 1.61 -2.45 0.11 -1.26 119.30 121.24 3hxy s MET 92 Ca 0.11 -0.93 -0.29 0.00 -1.25 0.00 0.00 55.69 53.32 3hxy s MET 92 Cb -0.14 -3.96 -0.01 0.00 1.25 0.00 0.00 34.83 31.97 3hxy s MET 92 CO 0.05 -0.73 1.12 -0.51 1.05 0.00 0.00 175.02 176.00 3hxy s LEU 93 N 1.77 4.20 0.02 4.11 1.43 0.17 -1.67 118.68 128.71 3hxy s LEU 93 Ca 0.06 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.78 3hxy s LEU 93 Cb -0.18 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3hxy s LEU 93 CO 0.11 -0.62 -0.06 -0.83 0.23 0.00 0.00 176.35 175.18 3hxy s GLY 94 N 1.43 0.36 0.02 -3.19 0.00 -0.31 0.11 107.32 105.74 3hxy s GLY 94 Ca 0.50 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3hxy s GLY 94 CO 0.15 -0.58 -0.23 0.54 0.00 0.00 0.00 173.10 172.98 3hxy s ASN 95 N -1.10 3.37 -0.02 1.64 4.22 -1.25 -1.34 114.94 120.46 3hxy s ASN 95 Ca -0.08 -0.48 0.04 0.00 -2.14 0.00 0.00 52.86 50.21 3hxy s ASN 95 Cb -0.07 -0.44 -0.01 0.00 1.28 0.00 0.00 41.25 42.01 3hxy s ASN 95 CO -0.00 0.29 -0.13 -0.36 -2.04 0.00 0.00 177.10 174.86 3hxy s PHE 96 N -0.77 1.19 -0.19 1.54 0.08 0.19 -2.08 117.98 117.94 3hxy s PHE 96 Ca 0.12 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.90 3hxy s PHE 96 Cb -0.10 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3hxy s PHE 96 CO 0.02 -0.07 -0.17 0.45 -0.10 0.00 0.00 175.22 175.35 3hxy s SER 97 N -0.10 3.41 -0.88 1.36 0.15 -0.13 -1.21 113.70 116.30 3hxy s SER 97 Ca 0.01 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 55.92 3hxy s SER 97 Cb -0.07 -1.53 0.22 0.00 -1.71 0.00 0.00 66.02 62.93 3hxy s SER 97 CO 0.00 -0.02 0.80 -0.36 1.20 0.00 0.00 173.24 174.87 3hxy s PHE 98 N 1.31 3.85 -1.42 3.44 2.99 0.86 -1.70 117.98 127.31 3hxy s PHE 98 Ca 0.04 -2.46 -0.03 0.00 0.00 0.00 0.00 56.93 54.49 3hxy s PHE 98 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 43.02 39.26 3hxy s PHE 98 CO -0.11 -0.92 0.43 0.41 -0.00 0.00 0.00 175.22 175.04 3hxy n GLY 99 N 3.31 -0.38 0.00 4.36 0.00 -1.25 -4.80 105.19 106.43 3hxy n GLY 99 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hxy n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxy n ASP 100 N -1.92 0.00 -4.76 1.61 -0.08 -1.26 -5.02 116.55 105.12 3hxy n ASP 100 Ca -0.13 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.77 3hxy n ASP 100 Cb 0.62 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.10 3hxy n ASP 100 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hxy s TYR 101 N 3.35 2.52 0.00 -0.67 -0.85 -1.26 -5.00 117.35 115.44 3hxy s TYR 101 Ca 0.00 1.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.93 3hxy s TYR 101 Cb 0.00 -3.73 0.00 0.00 0.38 0.00 0.00 41.96 38.61 3hxy s TYR 101 CO 0.00 -2.52 0.00 0.34 -1.52 0.00 0.00 175.55 171.85 3hxy n PHE 102 N -0.55 0.00 -0.13 -3.49 7.35 -1.26 -4.53 117.46 114.85 3hxy n PHE 102 Ca 0.07 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.68 3hxy n PHE 102 Cb 0.45 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.27 3hxy n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxy h LYS 103 N 0.00 0.57 -0.19 -4.13 1.57 -1.96 -2.47 116.57 109.97 3hxy h LYS 103 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3hxy h LYS 103 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3hxy h LYS 103 CO 0.00 0.45 0.05 1.25 -0.57 0.00 0.00 179.45 180.63 3hxy h LEU 104 N 0.53 0.28 -0.81 2.94 5.85 -1.96 -1.93 115.31 120.20 3hxy h LEU 104 Ca 0.14 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3hxy h LEU 104 Cb 0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hxy h LEU 104 CO -0.02 0.43 -0.29 0.44 -0.34 0.00 0.00 178.44 178.66 3hxy h ASP 105 N 0.12 0.58 -0.69 1.25 3.32 -1.94 -1.05 116.42 118.00 3hxy h ASP 105 Ca 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3hxy h ASP 105 Cb 0.26 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3hxy h ASP 105 CO -0.00 0.84 0.39 0.00 -1.72 0.00 0.00 179.24 178.75 3hxy h ALA 106 N 1.20 0.89 -0.21 3.45 0.00 -1.42 0.55 119.26 123.72 3hxy h ALA 106 Ca 0.06 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3hxy h ALA 106 Cb 0.75 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hxy h ALA 106 CO 0.06 0.39 -0.55 0.82 0.00 0.00 0.00 179.25 179.97 3hxy h ILE 107 N 0.95 1.31 -0.42 0.00 2.04 -1.11 -2.65 117.51 117.63 3hxy h ILE 107 Ca 0.24 -1.79 -0.14 0.00 1.00 0.00 0.00 64.86 64.18 3hxy h ILE 107 Cb 0.02 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3hxy h ILE 107 CO -0.04 0.56 -0.29 -0.07 0.00 0.00 0.00 178.15 178.31 3hxy h LEU 108 N 0.48 0.98 -0.15 1.44 3.38 -0.94 -2.03 115.31 118.47 3hxy h LEU 108 Ca 0.01 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.57 3hxy h LEU 108 Cb 1.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3hxy h LEU 108 CO 0.11 1.20 0.00 -0.26 0.09 0.00 0.00 178.44 179.58 3hxy h PHE 109 N 0.76 -0.00 -0.60 1.13 0.05 -0.86 -0.41 116.94 117.01 3hxy h PHE 109 Ca 0.08 0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.84 3hxy h PHE 109 Cb 0.88 0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.82 3hxy h PHE 109 CO 0.06 -0.02 0.22 0.00 -0.18 0.00 0.00 178.31 178.39 3hxy h ALA 110 N 1.12 0.79 -0.35 2.45 0.00 -1.44 -1.73 119.26 120.11 3hxy h ALA 110 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3hxy h ALA 110 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hxy h ALA 110 CO -0.11 0.43 -0.29 2.35 0.00 0.00 0.00 179.25 181.62 3hxy h TRP 111 N 0.85 0.85 -0.02 0.00 2.91 -1.21 -1.78 115.95 117.54 3hxy h TRP 111 Ca 0.20 -0.21 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 3hxy h TRP 111 Cb 0.24 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3hxy h TRP 111 CO 0.01 0.94 0.01 1.25 -1.03 0.00 0.00 178.44 179.62 3hxy h LEU 112 N 0.62 0.03 -0.73 0.65 5.85 -0.87 -0.72 115.31 120.15 3hxy h LEU 112 Ca 0.07 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3hxy h LEU 112 Cb 0.81 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3hxy h LEU 112 CO 0.07 0.23 0.47 0.25 -0.34 0.00 0.00 178.44 179.12 3hxy h LEU 113 N -0.17 0.79 -0.14 2.25 5.85 -1.26 -0.85 115.31 121.78 3hxy h LEU 113 Ca 0.01 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3hxy h LEU 113 Cb 0.21 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hxy h LEU 113 CO -0.00 0.56 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.01 3hxy h LEU 114 N 0.94 0.74 0.00 2.25 3.38 -1.24 -0.93 115.31 120.44 3hxy h LEU 114 Ca 0.28 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3hxy h LEU 114 Cb -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hxy h LEU 114 CO -0.09 1.24 -0.98 0.35 0.09 0.00 0.00 178.44 179.05 3hxy n THR 115 N -4.14 0.00 -2.23 0.22 -2.24 -0.28 0.07 114.28 105.68 3hxy n THR 115 Ca -0.07 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3hxy n THR 115 Cb 0.64 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 3hxy n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxy s SER 116 N -2.55 6.93 0.43 3.42 0.15 -0.33 -4.06 113.70 117.69 3hxy s SER 116 Ca -0.00 2.55 0.11 0.00 0.70 0.00 0.00 55.95 59.31 3hxy s SER 116 Cb 0.07 -2.64 0.92 0.00 -1.71 0.00 0.00 66.02 62.66 3hxy s SER 116 CO 0.39 -0.41 2.01 -0.33 1.20 0.00 0.00 173.24 176.10 3hxy h GLU 117 N 3.54 0.25 -0.05 5.44 5.08 -1.92 0.11 114.58 127.03 3hxy h GLU 117 Ca -0.48 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 3hxy h GLU 117 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hxy h GLU 117 CO 0.66 0.28 -0.44 0.87 -1.00 0.00 0.00 179.01 179.37 3hxy h LYS 118 N 0.25 0.11 0.00 2.33 1.57 -1.93 -3.45 116.57 115.44 3hxy h LYS 118 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hxy h LYS 118 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hxy h LYS 118 CO 0.00 0.53 0.00 0.91 -0.57 0.00 0.00 179.45 180.33 3hxy n TRP 119 N -4.00 0.00 0.09 -1.35 7.02 0.28 -4.99 117.44 114.49 3hxy n TRP 119 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3hxy n TRP 119 Cb 0.48 0.00 0.32 0.00 -2.42 0.00 0.00 31.31 29.69 3hxy n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxy h PHE 120 N 0.00 0.30 -4.89 -5.99 0.04 -1.18 -3.47 116.94 101.75 3hxy h PHE 120 Ca 0.00 -0.05 -0.33 0.00 2.80 0.00 0.00 57.97 60.39 3hxy h PHE 120 Cb 0.00 -0.08 0.11 0.00 2.20 0.00 0.00 35.95 38.18 3hxy h PHE 120 CO 0.00 0.48 -0.56 0.00 -0.60 0.00 0.00 178.31 177.63 3hxy n ALA 121 N -2.48 -1.06 -1.78 2.45 0.00 -0.56 -4.89 120.51 112.19 3hxy n ALA 121 Ca -0.01 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 3hxy n ALA 121 Cb 0.34 -4.55 -0.06 0.00 0.00 0.00 0.00 19.45 15.19 3hxy n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxy s LEU 122 N -6.19 4.33 0.12 0.00 1.43 0.11 -4.92 118.68 113.56 3hxy s LEU 122 Ca 0.46 1.93 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 3hxy s LEU 122 Cb -0.20 -4.00 -0.10 0.00 0.03 0.00 0.00 46.19 41.92 3hxy s LEU 122 CO 0.57 -0.17 1.66 -2.16 0.23 0.00 0.00 176.35 176.49 3hxy s PRO 123 N -2.06 4.19 0.48 1.29 0.04 -1.26 -4.44 135.00 133.22 3hxy s PRO 123 Ca 0.51 2.41 0.15 0.00 0.04 0.00 0.00 61.00 64.11 3hxy s PRO 123 Cb -0.21 -3.41 1.14 0.00 0.04 0.00 0.00 34.50 32.05 3hxy s PRO 123 CO 0.27 -0.72 2.07 0.87 0.04 0.00 0.00 177.00 179.53 3hxy h LYS 124 N 7.76 0.22 -0.03 4.56 1.57 -1.94 -2.76 116.57 125.95 3hxy h LYS 124 Ca -0.43 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 3hxy h LYS 124 Cb 1.21 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hxy h LYS 124 CO 0.93 0.14 0.02 0.93 -0.57 0.00 0.00 179.45 180.90 3hxy h GLU 125 N 0.22 0.00 -0.46 3.15 3.07 -2.04 -2.42 114.58 116.10 3hxy h GLU 125 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3hxy h GLU 125 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3hxy h GLU 125 CO -0.02 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.13 3hxy n ARG 126 N -4.52 2.22 -4.07 2.33 1.74 -1.04 -4.87 116.66 108.45 3hxy n ARG 126 Ca -0.02 -1.88 -0.35 0.00 -0.77 0.00 0.00 57.85 54.83 3hxy n ARG 126 Cb 0.12 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.00 3hxy n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxy s LEU 127 N -1.17 3.39 0.05 0.55 1.43 -0.91 -1.10 118.68 120.92 3hxy s LEU 127 Ca 0.36 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3hxy s LEU 127 Cb 0.19 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3hxy s LEU 127 CO 0.26 0.09 -0.14 0.26 0.23 0.00 0.00 176.35 177.05 3hxy s TRP 128 N 0.86 2.68 0.02 0.29 0.52 -0.48 -4.96 118.94 117.86 3hxy s TRP 128 Ca 0.02 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.02 3hxy s TRP 128 Cb -0.14 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3hxy s TRP 128 CO 0.02 0.33 -0.19 0.14 0.02 0.00 0.00 176.95 177.27 3hxy s VAL 129 N -1.03 1.54 0.03 4.03 -7.23 -0.33 0.44 120.40 117.85 3hxy s VAL 129 Ca 0.17 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 3hxy s VAL 129 Cb -0.11 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 3hxy s VAL 129 CO 0.08 0.28 -0.14 0.42 -0.31 0.00 0.00 175.10 175.43 3hxy s THR 130 N -0.65 3.12 0.19 5.32 -4.23 0.06 -1.05 115.64 118.39 3hxy s THR 130 Ca 0.07 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 3hxy s THR 130 Cb -0.08 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 3hxy s THR 130 CO 0.01 0.35 -0.10 0.68 -0.54 0.00 0.00 174.62 175.01 3hxy s VAL 131 N -0.96 1.40 0.20 2.29 -7.23 -0.29 -1.70 120.40 114.10 3hxy s VAL 131 Ca 0.16 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 3hxy s VAL 131 Cb -0.11 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 3hxy s VAL 131 CO 0.06 -0.62 1.26 -0.47 -0.31 0.00 0.00 175.10 175.02 3hxy s TYR 132 N -3.19 3.33 0.29 2.82 5.04 -1.24 -0.89 117.35 123.52 3hxy s TYR 132 Ca 0.21 1.33 0.04 0.00 -2.44 0.00 0.00 57.07 56.21 3hxy s TYR 132 Cb 0.02 -3.52 0.74 0.00 0.35 0.00 0.00 41.96 39.54 3hxy s TYR 132 CO 0.04 -1.55 1.68 1.49 -1.34 0.00 0.00 175.55 175.88 3hxy h GLU 133 N 5.18 0.35 -0.00 4.97 4.81 -1.59 0.23 114.58 128.52 3hxy h GLU 133 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3hxy h GLU 133 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hxy h GLU 133 CO 0.75 0.23 -0.25 -1.13 -0.73 0.00 0.00 179.01 177.88 3hxy n SER 134 N -5.08 0.37 -4.47 1.04 3.41 -1.26 -4.59 113.62 103.04 3hxy n SER 134 Ca 0.22 -0.12 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 3hxy n SER 134 Cb 0.68 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3hxy n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxy n ASP 135 N -1.34 4.84 0.03 4.04 -0.08 0.80 -4.75 116.55 120.10 3hxy n ASP 135 Ca 0.08 -2.92 -0.04 0.00 -1.51 0.00 0.00 54.79 50.41 3hxy n ASP 135 Cb 0.33 -1.73 0.20 0.00 2.34 0.00 0.00 41.12 42.25 3hxy n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxy h ASP 136 N 7.35 0.45 -0.20 1.67 3.32 -1.81 -2.79 116.42 124.41 3hxy h ASP 136 Ca 0.46 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.36 3hxy h ASP 136 Cb 0.84 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3hxy h ASP 136 CO 1.50 0.73 0.09 -0.33 -1.72 0.00 0.00 179.24 179.51 3hxy h GLU 137 N 0.38 0.20 -0.50 3.56 5.08 -1.97 -1.30 114.58 120.02 3hxy h GLU 137 Ca 0.05 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3hxy h GLU 137 Cb 0.72 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3hxy h GLU 137 CO 0.06 0.13 0.11 0.00 -1.00 0.00 0.00 179.01 178.30 3hxy h ALA 138 N 1.11 1.25 -0.07 3.43 0.00 -1.95 -1.95 119.26 121.08 3hxy h ALA 138 Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hxy h ALA 138 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hxy h ALA 138 CO -0.06 0.52 0.03 -0.92 0.00 0.00 0.00 179.25 178.81 3hxy h TYR 139 N 0.74 0.12 -0.06 0.00 3.20 -1.18 -2.36 116.97 117.42 3hxy h TYR 139 Ca 0.16 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3hxy h TYR 139 Cb 0.30 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3hxy h TYR 139 CO 0.02 0.25 -0.29 0.93 -1.64 0.00 0.00 178.16 177.42 3hxy h GLU 140 N -0.05 0.11 -0.27 1.82 4.39 -1.11 -0.82 114.58 118.65 3hxy h GLU 140 Ca 0.02 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3hxy h GLU 140 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3hxy h GLU 140 CO -0.00 0.40 -0.06 0.82 -1.16 0.00 0.00 179.01 179.01 3hxy h ILE 141 N 0.10 1.28 -0.62 3.13 2.04 -1.23 0.30 117.51 122.50 3hxy h ILE 141 Ca 0.01 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 3hxy h ILE 141 Cb 0.58 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3hxy h ILE 141 CO 0.04 0.34 0.09 -0.50 0.00 0.00 0.00 178.15 178.12 3hxy h TRP 142 N 0.28 1.10 0.07 1.37 4.06 -1.18 -0.74 115.95 120.91 3hxy h TRP 142 Ca 0.07 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 3hxy h TRP 142 Cb 0.53 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3hxy h TRP 142 CO 0.05 0.95 -0.03 1.49 -3.56 0.00 0.00 178.44 177.33 3hxy h GLU 143 N 0.94 -0.09 0.05 0.49 4.81 -1.02 -0.64 114.58 119.12 3hxy h GLU 143 Ca 0.19 0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 59.05 3hxy h GLU 143 Cb 0.44 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3hxy h GLU 143 CO 0.01 0.49 -2.23 1.63 -0.73 0.00 0.00 179.01 178.18 3hxy n LYS 144 N -4.81 0.70 -0.06 1.92 5.02 0.10 -3.12 118.16 117.90 3hxy n LYS 144 Ca -0.08 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3hxy n LYS 144 Cb 0.30 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 3hxy n LYS 144 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hxy h GLU 145 N 0.03 -0.00 0.14 1.97 4.39 -1.39 -3.39 114.58 116.33 3hxy h GLU 145 Ca -0.50 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 58.97 3hxy h GLU 145 Cb 1.99 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.65 3hxy h GLU 145 CO 0.00 0.91 -1.10 0.28 -1.16 0.00 0.00 179.01 177.94 3hxy h VAL 146 N -0.97 1.30 -0.01 3.13 2.07 -1.23 -3.49 116.25 117.06 3hxy h VAL 146 Ca -0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 3hxy h VAL 146 Cb 0.92 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 3hxy h VAL 146 CO 0.00 0.72 0.00 0.61 0.02 0.00 0.00 177.57 178.92 3hxy n GLY 147 N 1.70 1.78 3.70 2.17 0.00 -0.59 -5.03 105.19 108.91 3hxy n GLY 147 Ca -0.18 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3hxy n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxy s ILE 148 N -2.01 4.20 0.23 -0.61 -1.09 -0.35 -4.98 121.20 116.60 3hxy s ILE 148 Ca 0.00 1.55 -0.31 0.00 -2.23 0.00 0.00 60.65 59.66 3hxy s ILE 148 Cb 0.00 -4.00 -0.14 0.00 -1.58 0.00 0.00 42.46 36.75 3hxy s ILE 148 CO 0.00 0.04 1.38 -2.65 -1.23 0.00 0.00 174.94 172.48 3hxy n PRO 149 N 4.82 1.95 0.29 2.79 -0.02 -1.26 -4.51 135.00 139.05 3hxy n PRO 149 Ca 0.10 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 3hxy n PRO 149 Cb 0.46 -2.33 0.91 0.00 -0.02 0.00 0.00 33.50 32.52 3hxy n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxy h ARG 150 N 4.12 0.00 -0.72 -0.52 3.08 -1.93 -0.24 114.38 118.16 3hxy h ARG 150 Ca -0.45 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.61 3hxy h ARG 150 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3hxy h ARG 150 CO 0.75 0.00 0.48 1.49 -1.07 0.00 0.00 179.97 181.62 3hxy h GLU 151 N 0.00 0.95 -0.56 0.04 4.81 -2.03 -2.78 114.58 115.01 3hxy h GLU 151 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hxy h GLU 151 Cb 0.51 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hxy h GLU 151 CO -0.00 0.63 0.00 0.54 -0.73 0.00 0.00 179.01 179.45 3hxy n ARG 152 N -4.43 3.87 -3.77 1.92 1.74 -0.10 -4.76 116.66 111.13 3hxy n ARG 152 Ca 0.08 -2.90 -0.37 0.00 -0.77 0.00 0.00 57.85 53.88 3hxy n ARG 152 Cb 0.03 -1.94 -0.13 0.00 -1.02 0.00 0.00 32.46 29.41 3hxy n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxy s ILE 153 N -2.14 3.73 -0.20 0.55 1.01 -1.05 -1.19 121.20 121.91 3hxy s ILE 153 Ca 0.49 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 3hxy s ILE 153 Cb 0.34 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hxy s ILE 153 CO 0.20 -0.10 -0.05 -0.63 0.00 0.00 0.00 174.94 174.36 3hxy s ILE 154 N 1.41 3.43 -0.02 2.92 1.01 -0.21 -4.96 121.20 124.78 3hxy s ILE 154 Ca -0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 3hxy s ILE 154 Cb -0.19 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3hxy s ILE 154 CO 0.02 0.45 0.83 -0.13 0.00 0.00 0.00 174.94 176.10 3hxy s ARG 155 N 1.15 4.51 -0.12 2.79 0.52 -1.26 -1.14 118.95 125.39 3hxy s ARG 155 Ca 0.02 1.14 -0.01 0.00 -0.52 0.00 0.00 55.73 56.36 3hxy s ARG 155 Cb -0.14 -3.44 0.03 0.00 0.52 0.00 0.00 34.95 31.92 3hxy s ARG 155 CO -0.01 0.06 -0.07 0.42 0.02 0.00 0.00 175.30 175.73 3hxy s ILE 156 N 0.70 1.01 0.00 1.52 1.01 -0.07 -4.83 121.20 120.54 3hxy s ILE 156 Ca 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hxy s ILE 156 Cb -0.20 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3hxy s ILE 156 CO 0.23 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3hxy n GLY 157 N 4.94 1.42 3.36 6.18 0.00 -1.26 -1.52 105.19 118.31 3hxy n GLY 157 Ca -0.12 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3hxy n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxy n ASP 158 N 0.00 4.13 -0.15 1.61 8.00 -1.26 -4.49 116.55 124.39 3hxy n ASP 158 Ca 0.00 -2.84 0.15 0.00 0.71 0.00 0.00 54.79 52.81 3hxy n ASP 158 Cb 0.00 -1.67 0.68 0.00 -0.02 0.00 0.00 41.12 40.11 3hxy n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxy n ASN 159 N 9.07 0.51 -0.26 -2.24 6.94 -1.14 -3.32 115.26 124.83 3hxy n ASN 159 Ca 0.49 -0.82 0.13 0.00 -0.02 0.00 0.00 54.58 54.36 3hxy n ASN 159 Cb 0.44 -0.05 0.30 0.00 -2.36 0.00 0.00 39.78 38.11 3hxy n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxy n LYS 160 N -0.79 0.82 -0.28 -3.83 5.02 -1.00 -4.97 118.16 113.14 3hxy n LYS 160 Ca 0.17 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3hxy n LYS 160 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hxy n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hxy n GLY 161 N 1.37 0.85 3.13 0.72 0.00 -1.21 -5.00 105.19 105.05 3hxy n GLY 161 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3hxy n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxy s ALA 162 N -2.03 0.14 0.32 4.61 0.00 -1.26 -5.08 121.76 118.46 3hxy s ALA 162 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 3hxy s ALA 162 Cb 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 23.12 23.34 3hxy s ALA 162 CO 0.00 -0.39 1.45 -1.25 0.00 0.00 0.00 175.76 175.56 3hxy s PRO 163 N -3.52 4.21 -0.01 0.00 0.04 -1.26 -1.42 135.00 133.04 3hxy s PRO 163 Ca 0.03 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3hxy s PRO 163 Cb 0.04 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3hxy s PRO 163 CO -0.09 -0.44 0.00 0.66 0.04 0.00 0.00 177.00 177.18 3hxy n TYR 164 N 1.29 0.00 -3.57 0.56 4.01 -1.26 -4.96 117.16 113.22 3hxy n TYR 164 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 3hxy n TYR 164 Cb 0.40 -1.07 -0.11 0.00 -0.31 0.00 0.00 39.34 38.25 3hxy n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxy s ALA 165 N -1.48 3.33 -0.08 -0.72 0.00 -0.50 -4.76 121.76 117.54 3hxy s ALA 165 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 3hxy s ALA 165 Cb 0.00 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.60 3hxy s ALA 165 CO 0.00 -1.31 0.90 0.45 0.00 0.00 0.00 175.76 175.80 3hxy s SER 166 N 1.59 -0.42 0.24 0.00 0.15 -1.26 -2.38 113.70 111.62 3hxy s SER 166 Ca 0.03 0.30 0.25 0.00 0.70 0.00 0.00 55.95 57.24 3hxy s SER 166 Cb -0.19 0.37 0.88 0.00 -1.71 0.00 0.00 66.02 65.38 3hxy s SER 166 CO 0.07 -0.49 1.75 0.47 1.20 0.00 0.00 173.24 176.24 3hxy n ASP 167 N 0.40 0.77 -0.92 5.45 8.00 -1.26 -3.12 116.55 125.87 3hxy n ASP 167 Ca -0.11 0.62 0.01 0.00 0.71 0.00 0.00 54.79 56.02 3hxy n ASP 167 Cb 0.59 -0.81 0.21 0.00 -0.02 0.00 0.00 41.12 41.09 3hxy n ASP 167 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hxy n ASN 168 N -2.27 2.64 -3.69 -2.24 4.13 -1.26 -4.80 115.26 107.77 3hxy n ASN 168 Ca 0.04 -3.57 -0.29 0.00 1.68 0.00 0.00 54.58 52.44 3hxy n ASN 168 Cb 0.35 -0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.85 3hxy n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxy s PHE 169 N -3.13 1.18 -0.08 3.10 5.36 -1.18 -1.07 117.98 122.15 3hxy s PHE 169 Ca 0.42 -1.28 -0.26 0.00 -0.96 0.00 0.00 56.93 54.84 3hxy s PHE 169 Cb 0.38 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 3hxy s PHE 169 CO 0.01 -0.79 0.85 -0.46 -1.46 0.00 0.00 175.22 173.37 3hxy s TRP 170 N 1.80 3.54 -0.01 10.12 -0.00 -0.59 -4.52 118.94 129.30 3hxy s TRP 170 Ca 0.07 1.41 0.07 0.00 -0.00 0.00 0.00 56.10 57.65 3hxy s TRP 170 Cb -0.17 -3.00 -0.02 0.00 -0.00 0.00 0.00 33.47 30.28 3hxy s TRP 170 CO -0.23 -0.07 -0.22 -0.65 -0.00 0.00 0.00 176.95 175.77 3hxy s GLN 171 N 1.41 1.73 -0.00 5.86 -0.21 -1.26 -2.32 119.66 124.87 3hxy s GLN 171 Ca 0.43 -0.82 -0.23 0.00 0.02 0.00 0.00 55.36 54.76 3hxy s GLN 171 Cb -0.18 -1.70 -0.18 0.00 1.00 0.00 0.00 33.01 31.94 3hxy s GLN 171 CO 0.19 0.46 1.25 1.98 -2.12 0.00 0.00 175.29 177.05 3hxy h MET 172 N 5.48 0.18 0.00 2.91 1.85 -1.82 -3.49 114.93 120.03 3hxy h MET 172 Ca -0.41 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 3hxy h MET 172 Cb 1.14 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.18 3hxy h MET 172 CO 0.47 0.68 0.00 0.41 -0.40 0.00 0.00 176.91 178.07 3hxy n GLY 173 N 0.38 3.63 0.21 1.39 0.00 -1.26 -4.99 105.19 104.55 3hxy n GLY 173 Ca -0.08 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3hxy n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxy h ASP 174 N 0.00 0.00 -4.60 1.61 5.19 -1.96 -3.45 116.42 113.22 3hxy h ASP 174 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 3hxy h ASP 174 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 3hxy h ASP 174 CO 0.00 0.26 -0.66 0.42 -3.12 0.00 0.00 179.24 176.14 3hxy s THR 175 N -3.50 0.61 0.00 0.35 -4.23 -1.26 -4.55 115.64 103.06 3hxy s THR 175 Ca 0.02 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3hxy s THR 175 Cb 0.09 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.79 3hxy s THR 175 CO 0.66 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 3hxy n GLY 176 N -0.24 -0.98 3.76 3.99 0.00 -0.82 -4.65 105.19 106.25 3hxy n GLY 176 Ca -0.06 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 3hxy n GLY 176 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxy s PRO 177 N -0.86 4.18 0.35 1.61 0.04 -1.26 -0.57 135.00 138.49 3hxy s PRO 177 Ca 0.00 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 3hxy s PRO 177 Cb 0.00 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.54 3hxy s PRO 177 CO 0.00 -0.50 0.72 0.00 0.04 0.00 0.00 177.00 177.26 3hxy n GLY 179 N -0.51 1.94 3.74 0.00 0.00 -0.98 -1.17 105.19 108.20 3hxy n GLY 179 Ca -0.06 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3hxy n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxy s PRO 180 N -2.00 2.67 0.07 1.61 0.04 -1.26 -1.54 135.00 134.60 3hxy s PRO 180 Ca 0.00 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3hxy s PRO 180 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3hxy s PRO 180 CO 0.00 -1.44 -0.05 0.00 0.04 0.00 0.00 177.00 175.56 3hxy s THR 182 N -3.60 2.54 -0.02 0.00 -1.32 -0.08 -3.64 115.64 109.53 3hxy s THR 182 Ca 0.07 -0.87 0.08 0.00 -1.21 0.00 0.00 61.69 59.76 3hxy s THR 182 Cb 0.05 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3hxy s THR 182 CO -0.07 0.56 -0.25 -1.61 -2.21 0.00 0.00 174.62 171.03 3hxy s GLU 183 N 0.01 2.03 -0.18 7.08 2.02 -0.69 -0.72 118.70 128.25 3hxy s GLU 183 Ca -0.07 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 3hxy s GLU 183 Cb -0.15 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3hxy s GLU 183 CO 0.05 0.54 0.04 0.42 0.02 0.00 0.00 175.26 176.33 3hxy s ILE 184 N -0.59 4.56 0.15 -1.63 1.01 0.31 -0.76 121.20 124.24 3hxy s ILE 184 Ca 0.10 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.72 3hxy s ILE 184 Cb -0.10 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3hxy s ILE 184 CO -0.01 0.45 -0.14 -0.36 0.00 0.00 0.00 174.94 174.89 3hxy s PHE 185 N 0.49 2.59 -0.13 3.97 0.40 0.17 -0.53 117.98 124.95 3hxy s PHE 185 Ca 0.02 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3hxy s PHE 185 Cb -0.13 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.09 3hxy s PHE 185 CO 0.01 0.45 -0.22 -0.47 0.70 0.00 0.00 175.22 175.69 3hxy s TYR 186 N -1.43 2.64 -0.43 0.36 5.04 -0.48 -1.39 117.35 121.67 3hxy s TYR 186 Ca 0.22 -1.26 -0.27 0.00 -2.44 0.00 0.00 57.07 53.31 3hxy s TYR 186 Cb -0.10 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.45 3hxy s TYR 186 CO 0.13 -0.56 1.02 0.34 -1.34 0.00 0.00 175.55 175.14 3hxy s ASP 187 N 0.68 6.65 0.00 4.32 2.15 -0.26 -2.18 116.67 128.03 3hxy s ASP 187 Ca -0.10 0.48 0.29 0.00 0.43 0.00 0.00 52.55 53.64 3hxy s ASP 187 Cb -0.16 -2.50 1.22 0.00 -0.30 0.00 0.00 42.92 41.17 3hxy s ASP 187 CO 0.01 -1.06 1.87 1.41 -0.17 0.00 0.00 175.17 177.24 3hxy n HIS 188 N 7.28 0.00 0.00 -5.34 8.25 -0.21 -4.95 115.22 120.25 3hxy n HIS 188 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3hxy n HIS 188 Cb 0.48 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3hxy n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hxy n GLY 189 N 1.36 3.60 0.00 -1.41 0.00 -1.26 -4.88 105.19 102.59 3hxy n GLY 189 Ca 0.12 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.52 3hxy n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxy n ASP 190 N 0.00 0.00 -0.04 1.61 5.68 -1.26 -2.51 116.55 120.03 3hxy n ASP 190 Ca 0.00 -0.86 0.15 0.00 -0.50 0.00 0.00 54.79 53.57 3hxy n ASP 190 Cb 0.00 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 40.72 3hxy n ASP 190 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hxy n HIS 191 N -1.00 0.00 -4.67 2.11 1.44 -1.26 -4.77 115.22 107.08 3hxy n HIS 191 Ca 0.20 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.58 3hxy n HIS 191 Cb 0.09 -0.21 -0.13 0.00 0.12 0.00 0.00 29.99 29.87 3hxy n HIS 191 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hxy s ILE 192 N -2.45 3.46 0.24 0.61 1.01 -1.04 -5.09 121.20 117.93 3hxy s ILE 192 Ca 0.32 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3hxy s ILE 192 Cb 0.20 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3hxy s ILE 192 CO 0.45 0.56 1.39 0.86 0.00 0.00 0.00 174.94 178.20 3hxy s TRP 193 N -0.25 3.10 0.00 3.97 -0.00 -1.26 -4.67 118.94 119.83 3hxy s TRP 193 Ca 0.03 1.11 0.00 0.00 -0.00 0.00 0.00 56.10 57.24 3hxy s TRP 193 Cb -0.13 -3.74 0.00 0.00 -0.00 0.00 0.00 33.47 29.60 3hxy s TRP 193 CO 0.03 -2.37 0.00 0.41 -0.00 0.00 0.00 176.95 175.02 3hxy n GLY 194 N 2.18 4.11 3.71 5.86 0.00 -1.26 -2.92 105.19 116.86 3hxy n GLY 194 Ca 0.06 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 3hxy n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxy s GLY 195 N 0.00 2.44 0.91 -0.02 0.00 0.16 -4.82 107.32 105.99 3hxy s GLY 195 Ca 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 44.72 42.58 3hxy s GLY 195 CO 0.00 -2.00 1.09 -4.14 0.00 0.00 0.00 173.10 168.06 3hxy s PRO 196 N -3.85 1.16 0.15 2.90 0.02 -1.26 -3.99 135.00 130.12 3hxy s PRO 196 Ca 0.36 1.03 -0.34 0.00 0.02 0.00 0.00 61.00 62.07 3hxy s PRO 196 Cb 0.06 -1.78 -0.14 0.00 0.02 0.00 0.00 34.50 32.65 3hxy s PRO 196 CO 0.20 -2.37 1.55 -2.30 -0.33 0.00 0.00 177.00 173.75 3hxy n PRO 197 N -4.00 2.01 0.00 5.54 -0.02 -1.26 -1.58 135.00 135.69 3hxy n PRO 197 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hxy n PRO 197 Cb 0.54 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hxy n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxy n GLY 198 N 3.31 2.84 3.82 -1.23 0.00 -1.26 -5.01 105.19 107.65 3hxy n GLY 198 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hxy n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxy s SER 199 N -0.48 5.93 0.63 1.61 1.04 -0.61 -4.93 113.70 116.89 3hxy s SER 199 Ca 0.00 1.72 0.33 0.00 0.48 0.00 0.00 55.95 58.48 3hxy s SER 199 Cb 0.00 -2.52 1.82 0.00 0.10 0.00 0.00 66.02 65.42 3hxy s SER 199 CO 0.00 -1.06 2.11 -0.65 0.98 0.00 0.00 173.24 174.61 3hxy h PRO 200 N 0.37 0.00 -0.61 4.02 0.11 -1.97 -1.55 132.00 132.36 3hxy h PRO 200 Ca -0.46 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.33 3hxy h PRO 200 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 3hxy h PRO 200 CO 0.58 0.00 0.21 -0.85 -0.21 0.00 0.00 178.00 177.73 3hxy n GLU 201 N -3.38 2.00 0.27 1.05 0.00 -1.26 -4.64 120.64 114.68 3hxy n GLU 201 Ca -0.00 -3.13 0.14 0.00 0.00 0.00 0.00 57.16 54.17 3hxy n GLU 201 Cb 0.30 -1.96 0.74 0.00 0.00 0.00 0.00 31.44 30.51 3hxy n GLU 201 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3hxy h GLU 202 N 1.01 0.00 0.00 3.44 4.11 -1.41 0.46 114.58 122.19 3hxy h GLU 202 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 3hxy h GLU 202 Cb 2.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.39 3hxy h GLU 202 CO 0.68 0.11 0.00 -0.25 0.07 0.00 0.00 179.01 179.62 3hxy n ASP 203 N -3.52 0.00 -4.69 3.06 9.92 -1.26 -4.75 116.55 115.31 3hxy n ASP 203 Ca -0.01 0.36 -0.31 0.00 -0.53 0.00 0.00 54.79 54.30 3hxy n ASP 203 Cb 0.25 -0.44 0.15 0.00 -0.64 0.00 0.00 41.12 40.44 3hxy n ASP 203 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3hxy s GLY 204 N -2.88 1.67 -0.03 0.44 0.00 -0.96 -4.93 107.32 100.64 3hxy s GLY 204 Ca 0.11 0.42 0.09 0.00 0.00 0.00 0.00 44.72 45.34 3hxy s GLY 204 CO 0.32 0.85 1.17 1.22 0.00 0.00 0.00 173.10 176.67 3hxy n ASP 205 N -4.09 2.03 -0.03 1.64 8.00 -1.15 -4.19 116.55 118.76 3hxy n ASP 205 Ca 0.10 -2.11 -0.07 0.00 0.71 0.00 0.00 54.79 53.43 3hxy n ASP 205 Cb 0.53 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3hxy n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxy h ARG 206 N 1.78 -0.05 -4.11 -1.24 2.43 -1.82 -3.41 114.38 107.96 3hxy h ARG 206 Ca 0.00 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.41 3hxy h ARG 206 Cb 0.61 0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 29.93 3hxy h ARG 206 CO 0.06 0.37 0.14 0.71 -1.51 0.00 0.00 179.97 179.74 3hxy s TYR 207 N -2.15 3.53 -0.13 2.20 2.02 -1.26 -1.05 117.35 120.51 3hxy s TYR 207 Ca -0.09 -1.71 -0.15 0.00 -0.37 0.00 0.00 57.07 54.75 3hxy s TYR 207 Cb -0.01 -3.89 -0.05 0.00 -0.40 0.00 0.00 41.96 37.61 3hxy s TYR 207 CO 0.32 -1.09 0.35 0.42 -1.57 0.00 0.00 175.55 173.99 3hxy s ILE 208 N 0.95 5.25 -0.14 2.71 1.01 -0.93 -4.83 121.20 125.21 3hxy s ILE 208 Ca 0.17 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 3hxy s ILE 208 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3hxy s ILE 208 CO -0.06 0.40 1.55 -0.70 0.00 0.00 0.00 174.94 176.13 3hxy s GLU 209 N 0.27 4.04 -0.26 2.79 2.12 -1.26 -1.38 118.70 125.02 3hxy s GLU 209 Ca 0.20 1.86 -0.14 0.00 0.36 0.00 0.00 54.97 57.25 3hxy s GLU 209 Cb -0.14 -3.95 -0.14 0.00 0.26 0.00 0.00 34.13 30.15 3hxy s GLU 209 CO 0.07 -0.99 -0.21 -0.89 -0.54 0.00 0.00 175.26 172.70 3hxy n ILE 210 N 5.81 1.53 -3.98 -3.70 2.08 0.31 -4.88 119.36 116.53 3hxy n ILE 210 Ca 0.17 -0.34 -0.21 0.00 0.56 0.00 0.00 62.75 62.93 3hxy n ILE 210 Cb 0.44 -1.87 -0.17 0.00 -0.75 0.00 0.00 39.64 37.30 3hxy n ILE 210 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3hxy s TRP 211 N -2.48 0.65 -0.27 1.39 -0.11 -1.10 -2.86 118.94 114.15 3hxy s TRP 211 Ca -0.36 -0.16 -0.07 0.00 1.22 0.00 0.00 56.10 56.73 3hxy s TRP 211 Cb 0.12 -0.67 -0.01 0.00 -1.50 0.00 0.00 33.47 31.41 3hxy s TRP 211 CO 0.53 -0.23 0.06 1.21 -4.62 0.00 0.00 176.95 173.90 3hxy s ASN 212 N 1.31 5.04 -0.41 5.86 2.47 0.09 -0.53 114.94 128.76 3hxy s ASN 212 Ca -0.05 -0.47 -0.09 0.00 0.42 0.00 0.00 52.86 52.67 3hxy s ASN 212 Cb -0.13 -1.89 0.07 0.00 -1.45 0.00 0.00 41.25 37.85 3hxy s ASN 212 CO -0.02 -0.11 0.25 -0.63 -3.72 0.00 0.00 177.10 172.87 3hxy s ILE 213 N 1.55 4.21 -0.18 -5.21 1.01 0.10 -0.70 121.20 121.99 3hxy s ILE 213 Ca 0.05 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 3hxy s ILE 213 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3hxy s ILE 213 CO 0.02 -0.48 0.33 -0.69 0.00 0.00 0.00 174.94 174.13 3hxy s VAL 214 N 1.43 5.26 -0.93 2.92 1.01 0.13 -0.90 120.40 129.32 3hxy s VAL 214 Ca 0.03 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 3hxy s VAL 214 Cb -0.23 -3.67 0.18 0.00 0.00 0.00 0.00 36.38 32.67 3hxy s VAL 214 CO 0.02 0.33 1.01 -0.36 0.00 0.00 0.00 175.10 176.10 3hxy s PHE 215 N 0.84 3.53 -0.02 5.22 0.08 -0.55 -0.76 117.98 126.32 3hxy s PHE 215 Ca 0.17 -1.83 -0.30 0.00 0.12 0.00 0.00 56.93 55.09 3hxy s PHE 215 Cb -0.14 -4.06 -0.08 0.00 -0.57 0.00 0.00 43.02 38.17 3hxy s PHE 215 CO 0.06 -1.23 2.03 -1.33 -0.10 0.00 0.00 175.22 174.65 3hxy n MET 216 N 5.06 2.65 0.00 0.44 2.81 0.12 -4.01 117.12 124.18 3hxy n MET 216 Ca 0.21 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 57.03 3hxy n MET 216 Cb 0.47 -3.04 0.00 0.00 -0.71 0.00 0.00 33.22 29.94 3hxy n MET 216 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hxy n GLN 217 N 7.75 3.95 -4.24 0.03 6.02 -0.51 -1.03 117.38 129.35 3hxy n GLN 217 Ca 0.22 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.03 3hxy n GLN 217 Cb 0.41 -0.61 -0.13 0.00 1.02 0.00 0.00 30.24 30.94 3hxy n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hxy s PHE 218 N -0.59 1.16 -0.45 1.08 0.08 -0.32 -0.76 117.98 118.17 3hxy s PHE 218 Ca 0.00 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 3hxy s PHE 218 Cb 0.00 -0.67 0.07 0.00 -0.57 0.00 0.00 43.02 41.85 3hxy s PHE 218 CO 0.00 0.03 0.36 1.21 -0.10 0.00 0.00 175.22 176.72 3hxy s ASN 219 N -1.42 6.03 0.08 1.36 2.47 0.55 0.16 114.94 124.18 3hxy s ASN 219 Ca -0.01 -1.32 -0.31 0.00 0.42 0.00 0.00 52.86 51.64 3hxy s ASN 219 Cb -0.09 -2.14 -0.08 0.00 -1.45 0.00 0.00 41.25 37.49 3hxy s ASN 219 CO 0.02 -0.60 1.52 -0.60 -3.72 0.00 0.00 177.10 173.72 3hxy s ARG 220 N 1.60 4.25 0.47 0.43 6.06 0.26 -1.89 118.95 130.13 3hxy s ARG 220 Ca 0.04 2.20 -0.01 0.00 -2.50 0.00 0.00 55.73 55.46 3hxy s ARG 220 Cb -0.24 -3.43 -0.01 0.00 0.06 0.00 0.00 34.95 31.34 3hxy s ARG 220 CO 0.06 -0.61 0.71 -1.14 -2.50 0.00 0.00 175.30 171.82 3hxy s GLN 221 N 1.96 3.10 0.30 5.12 2.00 0.16 -1.94 119.66 130.35 3hxy s GLN 221 Ca 0.69 -0.35 0.02 0.00 -2.00 0.00 0.00 55.36 53.72 3hxy s GLN 221 Cb -0.38 -2.50 0.59 0.00 0.80 0.00 0.00 33.01 31.51 3hxy s GLN 221 CO 0.30 -0.31 1.87 0.00 -0.50 0.00 0.00 175.29 176.65 3hxy h ALA 222 N 0.31 1.57 0.00 1.58 0.00 -1.87 -1.41 119.26 119.44 3hxy h ALA 222 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hxy h ALA 222 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hxy h ALA 222 CO 0.58 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 3hxy n ASP 223 N -4.56 0.00 0.00 0.00 5.68 -1.26 -4.82 116.55 111.59 3hxy n ASP 223 Ca 0.17 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 3hxy n ASP 223 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3hxy n ASP 223 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxy n GLY 224 N 0.60 0.77 3.75 6.12 0.00 -0.53 -5.03 105.19 110.86 3hxy n GLY 224 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3hxy n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxy s THR 225 N -2.78 3.72 -0.42 2.61 2.01 -1.25 -4.76 115.64 114.77 3hxy s THR 225 Ca 0.00 1.65 -0.17 0.00 0.31 0.00 0.00 61.69 63.48 3hxy s THR 225 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.48 3hxy s THR 225 CO 0.00 0.36 0.43 -0.04 -0.69 0.00 0.00 174.62 174.69 3hxy s MET 226 N -1.08 3.12 -0.23 4.92 -1.94 -1.26 0.38 119.30 123.20 3hxy s MET 226 Ca 0.45 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.61 3hxy s MET 226 Cb -0.30 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.54 3hxy s MET 226 CO 0.37 -0.84 0.10 -2.00 -0.01 0.00 0.00 175.02 172.65 3hxy s GLU 227 N 2.13 3.87 0.28 2.03 2.12 -0.79 -4.91 118.70 123.43 3hxy s GLU 227 Ca 0.12 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 3hxy s GLU 227 Cb -0.17 -3.39 -0.12 0.00 0.26 0.00 0.00 34.13 30.71 3hxy s GLU 227 CO 0.13 -0.01 1.53 -2.30 -0.54 0.00 0.00 175.26 174.08 3hxy n PRO 228 N 4.43 2.50 -2.37 4.30 -0.02 -1.26 0.21 135.00 142.79 3hxy n PRO 228 Ca -0.16 0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 3hxy n PRO 228 Cb 0.52 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 3hxy n PRO 228 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hxy s LEU 229 N -0.35 4.07 0.28 2.45 1.43 0.06 -4.68 118.68 121.94 3hxy s LEU 229 Ca 0.65 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 3hxy s LEU 229 Cb -0.54 -4.20 0.62 0.00 0.03 0.00 0.00 46.19 42.10 3hxy s LEU 229 CO 0.49 -0.74 1.77 -0.65 0.23 0.00 0.00 176.35 177.45 3hxy h PRO 230 N 2.26 0.66 -3.96 1.29 0.11 -1.85 -3.39 132.00 127.13 3hxy h PRO 230 Ca -0.49 -0.04 -0.47 0.00 0.11 0.00 0.00 66.00 65.11 3hxy h PRO 230 Cb 1.23 -0.15 -0.37 0.00 0.11 0.00 0.00 31.00 31.83 3hxy h PRO 230 CO 0.61 0.44 -0.78 0.15 -0.21 0.00 0.00 178.00 178.21 3hxy s LYS 231 N -5.92 1.00 0.16 1.05 1.02 -1.26 -5.12 119.74 110.67 3hxy s LYS 231 Ca -0.12 -0.07 -0.34 0.00 0.02 0.00 0.00 55.97 55.47 3hxy s LYS 231 Cb 0.23 -1.18 -0.15 0.00 -0.52 0.00 0.00 37.83 36.21 3hxy s LYS 231 CO 0.79 -0.25 1.48 -2.30 -0.92 0.00 0.00 175.35 174.15 3hxy n PRO 232 N 4.87 1.86 -4.32 -1.68 -0.02 -1.26 -4.60 135.00 129.86 3hxy n PRO 232 Ca -0.12 0.67 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 3hxy n PRO 232 Cb 0.50 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 3hxy n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxy s SER 233 N 0.67 1.24 -0.06 2.55 0.01 -0.20 -3.96 113.70 113.96 3hxy s SER 233 Ca 0.78 -1.45 0.05 0.00 1.31 0.00 0.00 55.95 56.63 3hxy s SER 233 Cb -0.74 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 65.75 3hxy s SER 233 CO 0.42 -0.80 -0.20 -0.69 0.41 0.00 0.00 173.24 172.38 3hxy s VAL 234 N -3.73 1.71 -0.17 3.43 1.01 -0.69 0.12 120.40 122.08 3hxy s VAL 234 Ca 0.37 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hxy s VAL 234 Cb 0.07 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 35.02 3hxy s VAL 234 CO 0.15 0.48 -0.01 -0.62 0.00 0.00 0.00 175.10 175.11 3hxy s ASP 235 N 0.11 2.79 0.22 3.32 2.15 0.06 -0.96 116.67 124.37 3hxy s ASP 235 Ca -0.08 -0.70 0.10 0.00 0.43 0.00 0.00 52.55 52.30 3hxy s ASP 235 Cb -0.14 -0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 41.71 3hxy s ASP 235 CO 0.04 -0.24 -0.10 0.42 -0.17 0.00 0.00 175.17 175.12 3hxy s THR 236 N 1.76 3.06 -0.20 1.71 -4.23 -0.88 0.22 115.64 117.08 3hxy s THR 236 Ca -0.00 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 3hxy s THR 236 Cb -0.16 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.20 3hxy s THR 236 CO -0.07 -0.23 0.43 -0.83 -0.54 0.00 0.00 174.62 173.38 3hxy s GLY 237 N -3.16 -0.37 -0.11 3.99 0.00 0.13 -3.77 107.32 104.03 3hxy s GLY 237 Ca 0.27 1.55 0.02 0.00 0.00 0.00 0.00 44.72 46.56 3hxy s GLY 237 CO 0.16 2.34 -0.15 -0.29 0.00 0.00 0.00 173.10 175.15 3hxy s MET 238 N 2.45 2.25 -0.08 2.90 1.75 0.30 -0.74 119.30 128.14 3hxy s MET 238 Ca -0.03 -0.57 -0.29 0.00 -1.25 0.00 0.00 55.69 53.55 3hxy s MET 238 Cb -0.11 -1.92 -0.06 0.00 2.84 0.00 0.00 34.83 35.57 3hxy s MET 238 CO -0.13 -0.07 1.91 0.20 -0.65 0.00 0.00 175.02 176.28 3hxy s GLY 239 N 1.01 1.22 0.25 2.11 0.00 -1.14 0.43 107.32 111.21 3hxy s GLY 239 Ca -0.06 0.99 -0.05 0.00 0.00 0.00 0.00 44.72 45.60 3hxy s GLY 239 CO -0.02 3.39 1.91 -2.00 0.00 0.00 0.00 173.10 176.38 3hxy h LEU 240 N 11.71 1.11 -0.69 0.66 5.85 -1.55 -1.68 115.31 130.72 3hxy h LEU 240 Ca -0.43 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.16 3hxy h LEU 240 Cb 1.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3hxy h LEU 240 CO 0.96 0.78 -0.18 -0.33 -0.34 0.00 0.00 178.44 179.33 3hxy h GLU 241 N 1.30 0.82 -0.27 1.25 3.07 -1.90 -0.81 114.58 118.04 3hxy h GLU 241 Ca 0.39 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.36 58.80 3hxy h GLU 241 Cb -0.06 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3hxy h GLU 241 CO -0.11 0.94 -0.35 0.00 -1.40 0.00 0.00 179.01 178.09 3hxy h ARG 242 N 0.72 0.71 -0.01 2.33 3.08 -1.81 -1.60 114.38 117.81 3hxy h ARG 242 Ca 0.11 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.62 3hxy h ARG 242 Cb 0.69 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3hxy h ARG 242 CO 0.05 1.03 -0.61 0.97 -1.07 0.00 0.00 179.97 180.34 3hxy h ILE 243 N 0.45 1.43 -0.55 2.04 6.09 -1.31 -2.61 117.51 123.06 3hxy h ILE 243 Ca 0.03 -2.08 -0.09 0.00 -1.37 0.00 0.00 64.86 61.36 3hxy h ILE 243 Cb 0.93 2.12 -0.02 0.00 0.47 0.00 0.00 36.82 40.32 3hxy h ILE 243 CO 0.08 0.60 -0.01 0.00 -3.07 0.00 0.00 178.15 175.75 3hxy h ALA 244 N 1.37 0.95 -0.38 0.18 0.00 -1.05 -1.11 119.26 119.23 3hxy h ALA 244 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3hxy h ALA 244 Cb 1.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hxy h ALA 244 CO 0.08 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.14 3hxy h ALA 245 N 1.11 0.49 -0.01 0.00 0.00 -1.10 -0.41 119.26 119.34 3hxy h ALA 245 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hxy h ALA 245 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hxy h ALA 245 CO 0.03 0.05 -0.05 0.28 0.00 0.00 0.00 179.25 179.57 3hxy h VAL 246 N 0.47 0.88 0.00 0.00 2.07 -1.30 0.63 116.25 119.00 3hxy h VAL 246 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3hxy h VAL 246 Cb 0.13 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3hxy h VAL 246 CO -0.02 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.35 3hxy h LEU 247 N -0.08 0.00 -3.02 2.57 3.38 -1.06 -2.34 115.31 114.77 3hxy h LEU 247 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hxy h LEU 247 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hxy h LEU 247 CO -0.06 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3hxy n GLN 248 N -3.34 3.53 -3.65 1.13 6.02 -0.18 -4.73 117.38 116.17 3hxy n GLN 248 Ca -0.00 -2.83 -0.22 0.00 -0.01 0.00 0.00 57.00 53.94 3hxy n GLN 248 Cb 0.38 -1.83 0.06 0.00 1.02 0.00 0.00 30.24 29.86 3hxy n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxy n HIS 249 N 1.26 -2.24 -4.17 1.08 8.25 -0.88 -5.02 115.22 113.50 3hxy n HIS 249 Ca 0.26 0.91 -0.15 0.00 -0.26 0.00 0.00 57.72 58.48 3hxy n HIS 249 Cb 0.84 -4.63 -0.11 0.00 1.12 0.00 0.00 29.99 27.20 3hxy n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxy s VAL 250 N -3.45 0.97 0.06 1.59 -7.23 0.17 -5.04 120.40 107.47 3hxy s VAL 250 Ca 0.23 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 3hxy s VAL 250 Cb -0.11 -1.29 -0.29 0.00 0.56 0.00 0.00 36.38 35.25 3hxy s VAL 250 CO 0.78 -0.49 1.11 -1.13 -0.31 0.00 0.00 175.10 175.05 3hxy h ASN 251 N 3.70 0.82 -2.80 4.85 -0.00 -1.94 -3.34 115.58 116.88 3hxy h ASN 251 Ca -0.38 -0.77 -0.64 0.00 -0.00 0.00 0.00 56.30 54.51 3hxy h ASN 251 Cb 1.19 -0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 39.19 3hxy h ASN 251 CO 0.50 1.58 -0.44 -0.55 -0.00 0.00 0.00 177.43 178.52 3hxy s SER 252 N -7.40 6.44 0.51 1.15 0.15 -1.26 -4.86 113.70 108.42 3hxy s SER 252 Ca -0.09 0.48 0.16 0.00 0.70 0.00 0.00 55.95 57.20 3hxy s SER 252 Cb 0.06 -2.06 1.23 0.00 -1.71 0.00 0.00 66.02 63.53 3hxy s SER 252 CO 0.93 0.31 2.13 0.78 1.20 0.00 0.00 173.24 178.58 3hxy h ASN 253 N 4.25 0.01 -0.00 5.45 4.21 -1.03 -2.28 115.58 126.19 3hxy h ASN 253 Ca -0.51 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3hxy h ASN 253 Cb 1.20 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3hxy h ASN 253 CO 0.64 0.03 0.00 -1.22 -1.29 0.00 0.00 177.43 175.60 3hxy n TYR 254 N -4.51 0.00 0.62 1.19 4.01 -1.26 -2.72 117.16 114.50 3hxy n TYR 254 Ca -0.03 -0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.80 3hxy n TYR 254 Cb 0.11 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.24 3hxy n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxy n ASP 255 N -0.85 2.62 -4.81 7.72 8.00 -0.86 -4.03 116.55 124.34 3hxy n ASP 255 Ca 0.21 -1.78 -0.31 0.00 0.71 0.00 0.00 54.79 53.63 3hxy n ASP 255 Cb 0.12 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.24 3hxy n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxy s ILE 256 N -1.44 3.71 0.27 0.53 -4.36 -1.10 -4.78 121.20 114.03 3hxy s ILE 256 Ca 0.23 0.56 -0.00 0.00 -0.26 0.00 0.00 60.65 61.17 3hxy s ILE 256 Cb 0.15 -3.27 0.25 0.00 1.25 0.00 0.00 42.46 40.85 3hxy s ILE 256 CO 0.23 -0.73 1.77 -2.24 0.24 0.00 0.00 174.94 174.21 3hxy h ASP 257 N -0.86 0.60 -0.02 4.36 2.03 -1.93 -0.47 116.42 120.12 3hxy h ASP 257 Ca -0.45 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3hxy h ASP 257 Cb 1.23 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3hxy h ASP 257 CO 0.57 0.26 -0.00 0.25 -1.03 0.00 0.00 179.24 179.28 3hxy h LEU 258 N 0.68 -0.01 -0.28 0.15 6.46 -1.92 -2.05 115.31 118.34 3hxy h LEU 258 Ca 0.48 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 58.16 3hxy h LEU 258 Cb 0.65 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 3hxy h LEU 258 CO -0.35 -0.00 -0.41 -0.26 -0.62 0.00 0.00 178.44 176.80 3hxy h PHE 259 N 0.01 0.00 -0.09 1.25 -1.00 -1.70 -1.91 116.94 113.50 3hxy h PHE 259 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3hxy h PHE 259 Cb 0.01 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 3hxy h PHE 259 CO -0.09 0.41 0.04 0.00 -1.61 0.00 0.00 178.31 177.05 3hxy h ARG 260 N 0.00 0.14 -0.59 1.51 3.08 -0.94 0.11 114.38 117.69 3hxy h ARG 260 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3hxy h ARG 260 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3hxy h ARG 260 CO 0.05 0.25 0.01 1.15 -1.07 0.00 0.00 179.97 180.36 3hxy h THR 261 N -0.01 1.26 -0.34 2.04 2.02 -1.33 -2.12 112.91 114.44 3hxy h THR 261 Ca 0.03 -1.12 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 3hxy h THR 261 Cb 0.16 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3hxy h THR 261 CO -0.00 0.41 -0.34 0.25 0.37 0.00 0.00 175.52 176.20 3hxy h LEU 262 N 0.93 0.89 -0.99 2.58 5.85 -1.25 -2.25 115.31 121.08 3hxy h LEU 262 Ca 0.17 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 3hxy h LEU 262 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3hxy h LEU 262 CO 0.03 1.18 -0.10 0.40 -0.34 0.00 0.00 178.44 179.61 3hxy h ILE 263 N 0.62 1.24 -0.54 4.05 2.04 -0.74 -1.56 117.51 122.62 3hxy h ILE 263 Ca 0.05 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 3hxy h ILE 263 Cb 0.93 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hxy h ILE 263 CO 0.09 0.35 0.19 1.56 0.00 0.00 0.00 178.15 180.34 3hxy h GLN 264 N 0.57 0.79 -0.30 2.37 4.20 -1.23 -1.08 115.11 120.44 3hxy h GLN 264 Ca 0.11 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3hxy h GLN 264 Cb 0.51 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hxy h GLN 264 CO 0.03 0.67 -0.43 0.00 -0.67 0.00 0.00 178.83 178.42 3hxy h ALA 265 N 1.43 0.67 -0.53 3.87 0.00 -0.86 -2.24 119.26 121.60 3hxy h ALA 265 Ca 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3hxy h ALA 265 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hxy h ALA 265 CO -0.01 0.67 0.16 0.28 0.00 0.00 0.00 179.25 180.35 3hxy h VAL 266 N 0.61 1.24 -0.07 0.00 2.07 -0.95 -2.69 116.25 116.45 3hxy h VAL 266 Ca 0.04 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3hxy h VAL 266 Cb 0.99 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3hxy h VAL 266 CO 0.09 0.30 -0.19 0.00 0.02 0.00 0.00 177.57 177.79 3hxy h ALA 267 N 1.02 1.55 -0.19 1.67 0.00 -1.12 -1.99 119.26 120.21 3hxy h ALA 267 Ca 0.17 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3hxy h ALA 267 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hxy h ALA 267 CO -0.00 0.33 -0.67 -0.22 0.00 0.00 0.00 179.25 178.68 3hxy h LYS 268 N 0.11 0.72 0.00 0.00 3.64 -1.12 -0.24 116.57 119.67 3hxy h LYS 268 Ca 0.02 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hxy h LYS 268 Cb 0.41 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3hxy h LYS 268 CO 0.03 1.15 -0.63 -0.39 -2.27 0.00 0.00 179.45 177.33 3hxy h VAL 269 N 0.52 0.00 0.00 2.00 -1.51 -1.34 -3.34 116.25 112.59 3hxy h VAL 269 Ca -0.02 -0.67 -0.05 0.00 -1.23 0.00 0.00 66.70 64.72 3hxy h VAL 269 Cb 1.27 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 3hxy h VAL 269 CO 0.14 0.00 -1.90 0.35 -1.23 0.00 0.00 177.57 174.93 3hxy n THR 270 N -2.36 0.20 -0.75 7.19 -2.24 -0.76 -4.80 114.28 110.75 3hxy n THR 270 Ca 0.03 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3hxy n THR 270 Cb 0.48 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3hxy n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxy n GLY 271 N 1.54 0.59 3.77 3.38 0.00 -0.14 -3.57 105.19 110.76 3hxy n GLY 271 Ca -0.08 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3hxy n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxy s ALA 272 N -2.00 3.28 -0.40 4.61 0.00 -0.96 -4.95 121.76 121.35 3hxy s ALA 272 Ca 0.00 1.30 0.12 0.00 0.00 0.00 0.00 51.96 53.38 3hxy s ALA 272 Cb 0.00 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 3hxy s ALA 272 CO 0.00 -0.91 0.43 0.25 0.00 0.00 0.00 175.76 175.54 3hxy n THR 273 N 0.10 0.00 -2.40 0.00 -2.24 -1.26 -4.78 114.28 103.70 3hxy n THR 273 Ca 0.04 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 3hxy n THR 273 Cb 0.43 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3hxy n THR 273 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hxy s ASP 274 N -2.51 6.24 0.04 3.42 1.01 -1.26 -4.96 116.67 118.65 3hxy s ASP 274 Ca 0.02 2.11 -0.22 0.00 0.71 0.00 0.00 52.55 55.16 3hxy s ASP 274 Cb 0.09 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 41.29 3hxy s ASP 274 CO 0.50 -0.86 1.46 0.25 0.21 0.00 0.00 175.17 176.73 3hxy h LEU 275 N 1.80 0.17 -7.08 1.23 6.46 -2.02 -3.46 115.31 112.41 3hxy h LEU 275 Ca -0.49 -0.32 -0.05 0.00 -0.12 0.00 0.00 57.88 56.90 3hxy h LEU 275 Cb 1.24 -0.05 -0.22 0.00 -0.73 0.00 0.00 40.66 40.90 3hxy h LEU 275 CO 0.60 0.44 -0.01 -0.55 -0.62 0.00 0.00 178.44 178.30 3hxy s SER 276 N -5.69 -0.71 0.36 1.25 0.15 -1.26 -4.97 113.70 102.83 3hxy s SER 276 Ca -0.14 1.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.76 3hxy s SER 276 Cb 0.05 1.26 0.01 0.00 -1.71 0.00 0.00 66.02 65.63 3hxy s SER 276 CO 0.70 -0.22 0.51 0.54 1.20 0.00 0.00 173.24 175.97 3hxy s ASN 277 N 0.73 0.94 0.15 5.45 2.20 -1.26 -5.04 114.94 118.10 3hxy s ASN 277 Ca -0.03 -1.50 -0.22 0.00 -0.94 0.00 0.00 52.86 50.17 3hxy s ASN 277 Cb -0.05 0.69 0.02 0.00 -2.00 0.00 0.00 41.25 39.91 3hxy s ASN 277 CO -0.05 -1.36 1.64 0.50 -2.94 0.00 0.00 177.10 174.89 3hxy h LYS 278 N 2.07 -0.22 -0.54 3.55 3.64 -2.00 -2.47 116.57 120.61 3hxy h LYS 278 Ca -0.28 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3hxy h LYS 278 Cb 1.24 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 3hxy h LYS 278 CO 0.39 -0.14 0.33 0.77 -2.27 0.00 0.00 179.45 178.53 3hxy h SER 279 N -0.23 0.55 -0.63 4.20 0.02 -1.94 0.65 113.55 116.18 3hxy h SER 279 Ca 0.13 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hxy h SER 279 Cb 0.42 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3hxy h SER 279 CO -0.35 0.39 0.40 -0.07 -1.14 0.00 0.00 176.83 176.06 3hxy h LEU 280 N 0.67 0.74 -0.32 5.07 3.38 -1.85 -1.10 115.31 121.89 3hxy h LEU 280 Ca 0.21 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 3hxy h LEU 280 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hxy h LEU 280 CO -0.08 0.56 -0.72 0.03 0.09 0.00 0.00 178.44 178.32 3hxy h ARG 281 N 0.85 0.59 -0.25 1.13 3.08 -1.10 -2.50 114.38 116.18 3hxy h ARG 281 Ca 0.23 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3hxy h ARG 281 Cb -0.06 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hxy h ARG 281 CO -0.05 1.09 0.10 0.28 -1.07 0.00 0.00 179.97 180.33 3hxy h VAL 282 N 0.41 1.16 -0.70 2.04 2.07 -0.68 -1.76 116.25 118.79 3hxy h VAL 282 Ca -0.03 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3hxy h VAL 282 Cb 1.31 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3hxy h VAL 282 CO 0.14 0.16 0.17 0.40 0.02 0.00 0.00 177.57 178.46 3hxy h ILE 283 N 0.25 1.26 -0.88 4.57 2.04 -1.23 0.23 117.51 123.76 3hxy h ILE 283 Ca 0.08 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3hxy h ILE 283 Cb 0.16 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3hxy h ILE 283 CO -0.01 0.37 0.48 0.00 0.00 0.00 0.00 178.15 178.99 3hxy h ALA 284 N 1.08 1.19 -0.21 1.87 0.00 -1.36 -1.26 119.26 120.57 3hxy h ALA 284 Ca 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hxy h ALA 284 Cb 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hxy h ALA 284 CO 0.00 0.65 -0.30 0.22 0.00 0.00 0.00 179.25 179.82 3hxy h ASP 285 N 1.23 0.62 -0.12 0.00 3.58 -0.94 -3.32 116.42 117.47 3hxy h ASP 285 Ca 0.31 -0.52 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 3hxy h ASP 285 Cb 0.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3hxy h ASP 285 CO -0.05 1.02 -0.18 0.45 -2.88 0.00 0.00 179.24 177.60 3hxy h HIS 286 N 0.24 0.57 -0.20 0.28 3.86 -0.22 -2.36 115.15 117.33 3hxy h HIS 286 Ca 0.02 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 3hxy h HIS 286 Cb 0.88 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3hxy h HIS 286 CO 0.09 0.67 -0.10 0.97 0.86 0.00 0.00 177.93 180.42 3hxy h ILE 287 N 0.47 1.18 -0.03 2.45 6.09 -1.35 0.48 117.51 126.81 3hxy h ILE 287 Ca 0.08 -0.77 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3hxy h ILE 287 Cb 0.58 1.14 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 3hxy h ILE 287 CO 0.04 0.25 -0.00 0.03 -3.07 0.00 0.00 178.15 175.39 3hxy h ARG 288 N 0.29 0.06 -0.38 2.19 3.08 -1.52 -0.60 114.38 117.50 3hxy h ARG 288 Ca 0.06 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3hxy h ARG 288 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hxy h ARG 288 CO 0.02 0.38 -0.14 0.66 -1.07 0.00 0.00 179.97 179.82 3hxy h SER 289 N -0.26 0.78 -0.04 7.04 4.64 -1.33 -2.59 113.55 121.79 3hxy h SER 289 Ca 0.01 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3hxy h SER 289 Cb 0.35 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hxy h SER 289 CO 0.00 0.99 -0.00 0.00 -0.87 0.00 0.00 176.83 176.95 3hxy h ALA 291 N 0.69 0.86 -0.00 0.00 0.00 -1.17 -2.40 119.26 117.23 3hxy h ALA 291 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3hxy h ALA 291 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hxy h ALA 291 CO 0.00 0.50 -0.80 0.74 0.00 0.00 0.00 179.25 179.69 3hxy h PHE 292 N 0.94 0.08 -0.28 0.00 0.04 -1.52 -1.91 116.94 114.29 3hxy h PHE 292 Ca 0.22 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3hxy h PHE 292 Cb 0.24 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3hxy h PHE 292 CO 0.02 0.83 0.04 -0.07 -0.60 0.00 0.00 178.31 178.53 3hxy h LEU 293 N 0.03 0.46 -0.69 1.54 3.38 -1.27 -1.27 115.31 117.49 3hxy h LEU 293 Ca -0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3hxy h LEU 293 Cb 1.41 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3hxy h LEU 293 CO 0.11 0.61 0.19 0.40 0.09 0.00 0.00 178.44 179.84 3hxy h ILE 294 N 0.29 1.26 0.00 1.22 2.04 -1.43 0.04 117.51 120.93 3hxy h ILE 294 Ca 0.08 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3hxy h ILE 294 Cb 0.35 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3hxy h ILE 294 CO 0.01 0.36 -0.15 0.00 0.00 0.00 0.00 178.15 178.36 3hxy h ALA 295 N 1.09 1.67 -0.05 1.87 0.00 -1.24 -1.35 119.26 121.25 3hxy h ALA 295 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hxy h ALA 295 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hxy h ALA 295 CO -0.00 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 3hxy n ASP 296 N -4.25 1.37 0.00 0.00 8.00 -0.49 -4.92 116.55 116.26 3hxy n ASP 296 Ca -0.02 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.97 3hxy n ASP 296 Cb 0.22 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3hxy n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxy n GLY 297 N 1.14 0.80 3.69 0.44 0.00 -0.51 -4.76 105.19 105.99 3hxy n GLY 297 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hxy n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxy s VAL 298 N -2.00 4.57 -0.04 1.61 1.01 -0.05 -4.96 120.40 120.54 3hxy s VAL 298 Ca 0.00 1.86 0.03 0.00 0.00 0.00 0.00 61.98 63.86 3hxy s VAL 298 Cb 0.00 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3hxy s VAL 298 CO 0.00 0.05 -0.11 -0.04 0.00 0.00 0.00 175.10 175.00 3hxy s MET 299 N 1.75 2.55 0.26 2.72 -1.94 -1.26 -3.78 119.30 119.60 3hxy s MET 299 Ca 0.52 -0.67 -0.31 0.00 -1.71 0.00 0.00 55.69 53.52 3hxy s MET 299 Cb -0.22 -2.45 -0.12 0.00 2.01 0.00 0.00 34.83 34.05 3hxy s MET 299 CO 0.22 0.63 1.64 -2.30 -0.01 0.00 0.00 175.02 175.20 3hxy n PRO 300 N 2.12 2.71 -3.92 2.03 -0.02 -1.26 -4.18 135.00 132.48 3hxy n PRO 300 Ca -0.17 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3hxy n PRO 300 Cb 0.52 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3hxy n PRO 300 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hxy s SER 301 N 0.75 0.44 0.00 2.55 1.04 -0.83 -4.96 113.70 112.70 3hxy s SER 301 Ca 0.68 -1.34 0.20 0.00 0.48 0.00 0.00 55.95 55.97 3hxy s SER 301 Cb -0.50 0.80 0.55 0.00 0.10 0.00 0.00 66.02 66.96 3hxy s SER 301 CO 0.42 -1.58 1.45 0.59 0.98 0.00 0.00 173.24 175.10 3hxy n ASN 302 N -1.54 2.58 -4.04 7.02 3.02 -1.26 -2.54 115.26 118.50 3hxy n ASN 302 Ca -0.05 -1.89 -0.09 0.00 -0.03 0.00 0.00 54.58 52.52 3hxy n ASN 302 Cb 0.60 -0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 3hxy n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxy s GLU 303 N -1.56 0.48 6.82 3.52 4.04 -1.26 -4.79 118.70 125.96 3hxy s GLU 303 Ca 0.35 -0.91 0.00 0.00 0.04 0.00 0.00 54.97 54.45 3hxy s GLU 303 Cb 0.19 0.09 0.00 0.00 0.02 0.00 0.00 34.13 34.43 3hxy s GLU 303 CO 0.27 -0.06 0.00 0.09 -1.84 0.00 0.00 175.26 173.72 3hxy n ASN 304 N 0.91 0.00 -0.26 0.83 3.02 -1.26 -2.48 115.26 116.02 3hxy n ASN 304 Ca -0.19 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.31 3hxy n ASN 304 Cb 0.58 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.84 3hxy n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxy h ARG 305 N 0.00 1.12 -0.49 3.52 3.08 -1.95 -2.85 114.38 116.81 3hxy h ARG 305 Ca 0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3hxy h ARG 305 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3hxy h ARG 305 CO 0.00 0.91 0.26 0.78 -1.07 0.00 0.00 179.97 180.86 3hxy h GLY 306 N 1.13 0.71 1.81 0.04 0.00 -1.67 -2.05 103.07 103.03 3hxy h GLY 306 Ca 0.25 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 3hxy h GLY 306 CO -0.02 0.29 -0.90 -1.82 0.00 0.00 0.00 176.54 174.10 3hxy h TYR 307 N 0.67 0.26 -0.58 5.60 3.20 -1.19 -0.63 116.97 124.30 3hxy h TYR 307 Ca 0.17 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3hxy h TYR 307 Cb 0.02 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3hxy h TYR 307 CO 0.00 0.98 0.13 0.28 -1.64 0.00 0.00 178.16 177.91 3hxy h VAL 308 N 0.09 1.25 -0.36 1.81 2.07 -1.32 0.27 116.25 120.06 3hxy h VAL 308 Ca -0.04 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3hxy h VAL 308 Cb 1.54 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3hxy h VAL 308 CO 0.13 0.34 0.19 0.25 0.02 0.00 0.00 177.57 178.51 3hxy h LEU 309 N 0.84 0.45 -0.88 2.57 5.85 -1.32 -2.17 115.31 120.66 3hxy h LEU 309 Ca 0.18 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hxy h LEU 309 Cb 0.36 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3hxy h LEU 309 CO 0.00 0.42 0.49 -0.09 -0.34 0.00 0.00 178.44 178.92 3hxy h ARG 310 N 0.45 1.22 -0.52 1.25 2.43 -0.79 -1.46 114.38 116.95 3hxy h ARG 310 Ca 0.13 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hxy h ARG 310 Cb 0.07 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3hxy h ARG 310 CO -0.02 0.88 0.30 0.00 -1.51 0.00 0.00 179.97 179.63 3hxy h ARG 311 N 1.22 0.72 -0.31 0.20 3.08 -0.29 -2.02 114.38 116.98 3hxy h ARG 311 Ca 0.31 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 3hxy h ARG 311 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3hxy h ARG 311 CO -0.05 0.54 -0.15 0.82 -1.07 0.00 0.00 179.97 180.06 3hxy h ILE 312 N 0.70 1.29 -0.10 2.04 2.04 -1.08 -1.70 117.51 120.70 3hxy h ILE 312 Ca 0.19 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.82 3hxy h ILE 312 Cb 0.01 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3hxy h ILE 312 CO -0.03 0.40 -0.04 0.40 0.00 0.00 0.00 178.15 178.88 3hxy h ILE 313 N 0.41 0.86 0.00 -0.67 2.04 -1.21 -1.75 117.51 117.19 3hxy h ILE 313 Ca 0.07 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 3hxy h ILE 313 Cb 0.67 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3hxy h ILE 313 CO 0.05 0.00 -0.50 0.03 0.00 0.00 0.00 178.15 177.73 3hxy h ARG 314 N -0.03 0.00 -0.17 2.37 3.08 -1.33 -1.16 114.38 117.14 3hxy h ARG 314 Ca 0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 3hxy h ARG 314 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hxy h ARG 314 CO -0.11 0.50 -0.44 0.00 -1.07 0.00 0.00 179.97 178.84 3hxy h ARG 315 N 0.00 0.43 -0.34 0.04 3.08 -1.14 -1.66 114.38 114.78 3hxy h ARG 315 Ca -0.00 -0.23 -0.16 0.00 0.07 0.00 0.00 59.98 59.66 3hxy h ARG 315 Cb 0.91 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3hxy h ARG 315 CO 0.06 0.79 -0.41 0.00 -1.07 0.00 0.00 179.97 179.35 3hxy h ALA 316 N 1.18 0.63 -0.32 0.04 0.00 -0.77 -2.44 119.26 117.58 3hxy h ALA 316 Ca 0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3hxy h ALA 316 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hxy h ALA 316 CO 0.08 0.67 -0.16 0.28 0.00 0.00 0.00 179.25 180.12 3hxy h VAL 317 N 0.69 1.25 -0.50 0.00 2.07 -1.14 -1.55 116.25 117.07 3hxy h VAL 317 Ca 0.05 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3hxy h VAL 317 Cb 0.99 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3hxy h VAL 317 CO 0.09 0.37 0.22 -0.09 0.02 0.00 0.00 177.57 178.19 3hxy h ARG 318 N 0.51 0.73 0.00 1.57 1.12 -1.17 -2.03 114.38 115.11 3hxy h ARG 318 Ca 0.09 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 58.76 3hxy h ARG 318 Cb 0.57 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 3hxy h ARG 318 CO 0.04 0.63 -0.37 0.45 -3.11 0.00 0.00 179.97 177.60 3hxy h HIS 319 N 0.66 0.00 -0.54 2.20 3.86 -1.16 -1.61 115.15 118.56 3hxy h HIS 319 Ca 0.17 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3hxy h HIS 319 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3hxy h HIS 319 CO -0.00 0.37 0.04 0.78 0.86 0.00 0.00 177.93 179.98 3hxy h GLY 320 N 1.28 0.97 1.14 2.45 0.00 -0.94 -1.80 103.07 106.18 3hxy h GLY 320 Ca -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 3hxy h GLY 320 CO 0.05 0.60 0.11 -0.57 0.00 0.00 0.00 176.54 176.72 3hxy h ASN 321 N 0.84 1.00 -0.91 0.19 -0.73 -0.73 -0.01 115.58 115.23 3hxy h ASN 321 Ca 0.16 -0.23 0.05 0.00 1.87 0.00 0.00 56.30 58.15 3hxy h ASN 321 Cb 0.45 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 38.72 3hxy h ASN 321 CO 0.02 1.00 0.60 0.24 -0.37 0.00 0.00 177.43 178.91 3hxy h MET 322 N 0.99 1.07 0.00 6.67 2.86 -0.92 -1.75 114.93 123.85 3hxy h MET 322 Ca 0.20 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3hxy h MET 322 Cb 0.42 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hxy h MET 322 CO 0.01 0.71 0.00 -0.07 1.06 0.00 0.00 176.91 178.62 3hxy h LEU 323 N 1.11 0.00 -0.02 1.22 3.38 -0.96 -3.47 115.31 116.56 3hxy h LEU 323 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3hxy h LEU 323 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hxy h LEU 323 CO -0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.02 3hxy n GLY 324 N 0.95 1.64 3.71 0.83 0.00 -0.66 -4.42 105.19 107.24 3hxy n GLY 324 Ca 0.04 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3hxy n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxy s ALA 325 N -2.02 3.77 -0.12 4.61 0.00 -0.09 -4.83 121.76 123.08 3hxy s ALA 325 Ca 0.00 1.36 0.15 0.00 0.00 0.00 0.00 51.96 53.46 3hxy s ALA 325 Cb 0.00 -3.63 -0.24 0.00 0.00 0.00 0.00 23.12 19.25 3hxy s ALA 325 CO 0.00 -0.82 0.36 1.63 0.00 0.00 0.00 175.76 176.93 3hxy n LYS 326 N 4.17 0.66 -4.41 0.00 5.02 -1.26 -4.78 118.16 117.56 3hxy n LYS 326 Ca 0.14 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.38 3hxy n LYS 326 Cb 0.39 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 3hxy n LYS 326 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hxy s GLU 327 N -2.54 1.59 0.05 1.97 -1.05 -1.26 -5.10 118.70 112.36 3hxy s GLU 327 Ca -0.08 -1.88 -0.35 0.00 -0.15 0.00 0.00 54.97 52.50 3hxy s GLU 327 Cb 0.07 -0.63 -0.15 0.00 -0.44 0.00 0.00 34.13 32.99 3hxy s GLU 327 CO 0.82 -0.25 1.57 2.41 0.95 0.00 0.00 175.26 180.76 3hxy n THR 328 N -0.63 0.12 0.00 1.83 -1.04 -1.26 -4.86 114.28 108.44 3hxy n THR 328 Ca -0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3hxy n THR 328 Cb 0.66 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 3hxy n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxy n PHE 329 N 3.84 0.00 -0.29 -1.42 1.16 -1.26 -4.88 117.46 114.61 3hxy n PHE 329 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.78 3hxy n PHE 329 Cb 0.24 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.24 3hxy n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxy h PHE 330 N 0.00 0.91 0.00 2.97 3.57 -1.92 -0.81 116.94 121.66 3hxy h PHE 330 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hxy h PHE 330 Cb 0.57 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3hxy h PHE 330 CO 0.00 0.45 -0.01 0.10 -2.23 0.00 0.00 178.31 176.62 3hxy h TYR 331 N 0.89 0.00 0.00 0.41 -0.00 -1.87 -2.41 116.97 114.00 3hxy h TYR 331 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.09 3hxy h TYR 331 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.92 3hxy h TYR 331 CO -0.04 0.01 0.00 1.63 -0.00 0.00 0.00 178.16 179.76 3hxy n LYS 332 N -3.12 0.33 0.00 0.10 5.02 -0.31 -2.92 118.16 117.27 3hxy n LYS 332 Ca -0.00 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 3hxy n LYS 332 Cb 0.25 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.88 3hxy n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxy n LEU 333 N -1.27 1.18 -0.11 -0.35 4.77 -0.91 -4.29 117.00 116.02 3hxy n LEU 333 Ca 0.11 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.59 3hxy n LEU 333 Cb 0.17 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3hxy n LEU 333 CO 0.16 0.24 0.86 0.58 -1.33 0.00 0.00 177.39 177.91 3hxy h VAL 334 N 0.97 1.21 0.53 4.08 2.07 -1.71 -1.38 116.25 122.02 3hxy h VAL 334 Ca 0.00 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3hxy h VAL 334 Cb 0.57 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3hxy h VAL 334 CO 0.00 0.23 -0.48 1.23 0.02 0.00 0.00 177.57 178.57 3hxy h GLY 335 N 0.36 -1.25 0.07 2.17 0.00 -1.81 -0.69 103.07 101.91 3hxy h GLY 335 Ca 0.10 0.57 0.20 0.00 0.00 0.00 0.00 47.33 48.20 3hxy h GLY 335 CO -0.00 -0.38 0.61 -2.55 0.00 0.00 0.00 176.54 174.21 3hxy h PRO 336 N -0.99 0.71 -0.24 4.80 0.11 -1.78 -1.85 132.00 132.74 3hxy h PRO 336 Ca -0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 3hxy h PRO 336 Cb 0.85 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3hxy h PRO 336 CO -0.03 0.47 0.09 1.25 -0.21 0.00 0.00 178.00 179.57 3hxy h LEU 337 N 0.73 0.33 -1.17 2.35 5.85 -0.93 -2.53 115.31 119.94 3hxy h LEU 337 Ca 0.59 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 59.25 3hxy h LEU 337 Cb 0.96 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 3hxy h LEU 337 CO -0.40 0.41 0.59 0.40 -0.34 0.00 0.00 178.44 179.10 3hxy h ILE 338 N 0.23 0.95 -0.26 4.05 2.04 -0.35 -2.36 117.51 121.81 3hxy h ILE 338 Ca 0.08 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 3hxy h ILE 338 Cb 0.19 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3hxy h ILE 338 CO -0.01 0.16 -0.42 -0.78 0.00 0.00 0.00 178.15 177.11 3hxy h ASP 339 N 0.89 0.68 1.73 1.72 3.58 -1.06 -3.14 116.42 120.82 3hxy h ASP 339 Ca 0.43 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 3hxy h ASP 339 Cb 0.46 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 3hxy h ASP 339 CO -0.20 1.01 -0.27 -0.37 -2.88 0.00 0.00 179.24 176.54 3hxy h VAL 340 N 0.52 0.07 0.00 2.25 -1.51 -1.08 -3.31 116.25 113.18 3hxy h VAL 340 Ca 0.04 -1.10 -0.11 0.00 -1.23 0.00 0.00 66.70 64.30 3hxy h VAL 340 Cb 0.94 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 32.01 3hxy h VAL 340 CO 0.09 0.04 -0.71 0.24 -1.23 0.00 0.00 177.57 175.99 3hxy h MET 341 N 0.00 0.00 0.00 5.19 2.86 -1.39 -3.47 114.93 118.12 3hxy h MET 341 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hxy h MET 341 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3hxy h MET 341 CO 0.01 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.78 3hxy n GLY 342 N 1.26 3.77 0.25 8.32 0.00 -1.20 -2.15 105.19 115.44 3hxy n GLY 342 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3hxy n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxy h SER 343 N 0.00 0.00 0.60 1.61 4.64 -1.94 -2.64 113.55 115.82 3hxy h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxy h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxy h SER 343 CO 0.00 0.10 -0.11 0.00 -0.87 0.00 0.00 176.83 175.95 3hxy n ALA 344 N -2.15 2.69 -1.48 5.18 0.00 -0.92 -3.64 120.51 120.19 3hxy n ALA 344 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hxy n ALA 344 Cb 0.37 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.64 3hxy n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxy n GLY 345 N 1.37 4.95 0.10 0.00 0.00 -1.00 -4.67 105.19 105.95 3hxy n GLY 345 Ca 0.11 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3hxy n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hxy h GLU 346 N 1.00 0.13 0.00 1.61 5.08 -1.67 -2.74 114.58 117.98 3hxy h GLU 346 Ca 0.14 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3hxy h GLU 346 Cb 1.43 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 3hxy h GLU 346 CO 0.25 0.86 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.58 3hxy h ASP 347 N 0.03 0.00 0.06 1.42 3.45 -1.86 -2.65 116.42 116.87 3hxy h ASP 347 Ca -0.28 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.07 3hxy h ASP 347 Cb 2.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.77 3hxy h ASP 347 CO 0.11 0.10 -0.54 0.25 -1.57 0.00 0.00 179.24 177.59 3hxy h LEU 348 N 0.00 0.19 -1.74 1.55 5.85 -1.88 -3.34 115.31 115.93 3hxy h LEU 348 Ca -0.00 -0.92 0.03 0.00 0.84 0.00 0.00 57.88 57.83 3hxy h LEU 348 Cb 0.27 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hxy h LEU 348 CO 0.01 1.24 0.23 0.50 -0.34 0.00 0.00 178.44 180.09 3hxy h LYS 349 N -0.72 0.32 -0.75 1.25 3.64 -1.44 -0.04 116.57 118.83 3hxy h LYS 349 Ca -0.11 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.41 3hxy h LYS 349 Cb 1.32 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3hxy h LYS 349 CO 0.03 0.21 0.51 -0.09 -2.27 0.00 0.00 179.45 177.84 3hxy h ARG 350 N 0.33 0.32 -0.60 1.90 2.43 -1.59 -2.60 114.38 114.58 3hxy h ARG 350 Ca 0.14 -0.02 -0.42 0.00 -0.81 0.00 0.00 59.98 58.87 3hxy h ARG 350 Cb 0.15 -0.07 -0.40 0.00 -0.42 0.00 0.00 29.97 29.23 3hxy h ARG 350 CO -0.03 0.21 -0.90 0.00 -1.51 0.00 0.00 179.97 177.74 3hxy n GLN 351 N -4.46 2.86 0.03 0.20 10.64 -0.10 -4.90 117.38 121.65 3hxy n GLN 351 Ca 0.15 -3.87 -0.13 0.00 -1.83 0.00 0.00 57.00 51.31 3hxy n GLN 351 Cb 0.59 -1.99 -0.07 0.00 -0.86 0.00 0.00 30.24 27.91 3hxy n GLN 351 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3hxy h GLN 352 N 2.23 -0.52 -0.78 2.61 4.15 -0.96 -1.22 115.11 120.62 3hxy h GLN 352 Ca 0.18 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.72 3hxy h GLN 352 Cb 1.44 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 29.18 3hxy h GLN 352 CO 0.53 -0.34 0.44 0.00 -1.93 0.00 0.00 178.83 177.52 3hxy h ALA 353 N 0.02 1.09 -0.08 3.38 0.00 -1.90 0.17 119.26 121.95 3hxy h ALA 353 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hxy h ALA 353 Cb 0.64 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hxy h ALA 353 CO -0.36 0.08 0.03 0.37 0.00 0.00 0.00 179.25 179.36 3hxy h GLN 354 N 0.75 0.11 -0.76 0.00 -0.00 -1.87 -1.27 115.11 112.08 3hxy h GLN 354 Ca 0.37 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.96 3hxy h GLN 354 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 3hxy h GLN 354 CO -0.23 0.24 0.34 0.28 0.00 0.00 0.00 178.83 179.45 3hxy h VAL 355 N -0.03 1.25 -0.67 2.39 2.07 -0.67 -2.10 116.25 118.49 3hxy h VAL 355 Ca 0.03 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3hxy h VAL 355 Cb 0.16 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3hxy h VAL 355 CO -0.00 0.31 0.36 -0.33 0.02 0.00 0.00 177.57 177.92 3hxy h GLU 356 N 1.08 0.93 -0.46 1.57 5.08 -0.53 -2.18 114.58 120.08 3hxy h GLU 356 Ca 0.26 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 3hxy h GLU 356 Cb 0.16 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hxy h GLU 356 CO -0.03 0.71 -0.26 0.37 -1.00 0.00 0.00 179.01 178.80 3hxy h GLN 357 N 0.91 0.99 -0.38 2.33 5.75 -1.00 -0.59 115.11 123.12 3hxy h GLN 357 Ca 0.23 -0.45 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3hxy h GLN 357 Cb 0.05 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3hxy h GLN 357 CO -0.04 1.12 0.24 0.28 -2.65 0.00 0.00 178.83 177.78 3hxy h VAL 358 N 0.85 1.12 -0.51 2.39 2.07 -1.24 0.11 116.25 121.04 3hxy h VAL 358 Ca 0.10 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3hxy h VAL 358 Cb 0.84 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3hxy h VAL 358 CO 0.07 0.12 -0.17 -0.07 0.02 0.00 0.00 177.57 177.55 3hxy h LEU 359 N 0.51 1.02 0.13 2.57 3.38 -1.31 -1.29 115.31 120.31 3hxy h LEU 359 Ca 0.14 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3hxy h LEU 359 Cb -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3hxy h LEU 359 CO -0.03 1.16 -0.06 0.50 0.09 0.00 0.00 178.44 180.10 3hxy h LYS 360 N 0.88 -0.17 -0.67 1.13 3.64 -0.90 -1.19 116.57 119.30 3hxy h LYS 360 Ca 0.12 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3hxy h LYS 360 Cb 0.74 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3hxy h LYS 360 CO 0.06 -0.05 0.42 1.15 -2.27 0.00 0.00 179.45 178.75 3hxy h THR 361 N -0.24 1.10 -0.49 1.00 2.02 -0.93 -1.55 112.91 113.82 3hxy h THR 361 Ca -0.02 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 3hxy h THR 361 Cb 0.19 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3hxy h THR 361 CO 0.03 0.15 0.08 -0.08 0.37 0.00 0.00 175.52 176.07 3hxy h GLU 362 N 0.83 0.81 -0.37 6.66 4.57 -1.10 -1.62 114.58 124.36 3hxy h GLU 362 Ca 0.27 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3hxy h GLU 362 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3hxy h GLU 362 CO -0.10 0.81 -0.05 1.49 -1.18 0.00 0.00 179.01 179.98 3hxy h GLU 363 N 0.68 0.69 -0.74 1.92 4.81 -1.03 -2.24 114.58 118.67 3hxy h GLU 363 Ca 0.15 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hxy h GLU 363 Cb 0.39 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3hxy h GLU 363 CO 0.01 0.82 0.44 0.93 -0.73 0.00 0.00 179.01 180.48 3hxy h GLU 364 N 0.49 1.00 -0.36 1.92 5.08 -1.20 0.13 114.58 121.64 3hxy h GLU 364 Ca 0.10 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hxy h GLU 364 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hxy h GLU 364 CO 0.03 0.70 0.10 0.37 -1.00 0.00 0.00 179.01 179.21 3hxy h GLN 365 N 1.02 0.56 0.00 2.33 5.75 -1.16 -3.07 115.11 120.53 3hxy h GLN 365 Ca 0.27 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 3hxy h GLN 365 Cb -0.04 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3hxy h GLN 365 CO -0.05 0.60 -0.47 0.35 -2.65 0.00 0.00 178.83 176.61 3hxy h PHE 366 N 0.42 0.00 0.00 3.99 3.57 -0.96 -3.12 116.94 120.85 3hxy h PHE 366 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3hxy h PHE 366 Cb 0.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3hxy h PHE 366 CO 0.01 0.47 -0.01 0.00 -2.23 0.00 0.00 178.31 176.55 3hxy h ALA 367 N 1.53 1.01 -0.79 2.41 0.00 -0.65 -1.63 119.26 121.14 3hxy h ALA 367 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hxy h ALA 367 Cb 1.09 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3hxy h ALA 367 CO 0.06 0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.84 3hxy h ARG 368 N 0.00 0.98 0.00 0.00 3.08 -1.56 -3.31 114.38 113.57 3hxy h ARG 368 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hxy h ARG 368 Cb 0.35 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3hxy h ARG 368 CO 0.00 0.65 -0.33 0.25 -1.07 0.00 0.00 179.97 179.46 3hxy n THR 369 N -4.44 0.00 0.06 2.04 -2.24 -1.05 -4.84 114.28 103.81 3hxy n THR 369 Ca 0.10 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3hxy n THR 369 Cb 0.08 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 3hxy n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxy h LEU 370 N 0.00 -1.40 -0.68 3.22 5.85 -1.39 0.20 115.31 121.11 3hxy h LEU 370 Ca 0.00 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3hxy h LEU 370 Cb 0.06 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hxy h LEU 370 CO 0.00 -0.45 0.08 -0.33 -0.34 0.00 0.00 178.44 177.40 3hxy h GLU 371 N -0.58 1.10 -0.05 1.25 5.08 -1.87 0.15 114.58 119.65 3hxy h GLU 371 Ca 0.01 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 3hxy h GLU 371 Cb 0.62 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3hxy h GLU 371 CO -0.29 1.02 -0.34 0.00 -1.00 0.00 0.00 179.01 178.39 3hxy h ARG 372 N 1.02 0.10 -0.24 2.33 3.08 -1.85 -0.78 114.38 118.03 3hxy h ARG 372 Ca 0.20 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 3hxy h ARG 372 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hxy h ARG 372 CO 0.02 0.43 -0.58 0.78 -1.07 0.00 0.00 179.97 179.55 3hxy h GLY 373 N 1.08 0.85 1.73 0.04 0.00 0.15 -2.34 103.07 104.59 3hxy h GLY 373 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 47.33 46.22 3hxy h GLY 373 CO 0.05 0.92 -0.33 1.41 0.00 0.00 0.00 176.54 178.58 3hxy h LEU 374 N 0.59 0.32 -0.48 3.11 3.38 -0.40 -1.69 115.31 120.14 3hxy h LEU 374 Ca 0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 3hxy h LEU 374 Cb 1.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hxy h LEU 374 CO 0.12 0.64 -0.25 0.00 0.09 0.00 0.00 178.44 179.04 3hxy h ALA 375 N 1.38 0.67 -0.44 1.53 0.00 -1.09 -1.79 119.26 119.52 3hxy h ALA 375 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3hxy h ALA 375 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hxy h ALA 375 CO 0.06 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.31 3hxy h LEU 376 N 0.84 0.69 -0.98 0.00 5.85 -1.21 -2.09 115.31 118.40 3hxy h LEU 376 Ca 0.10 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3hxy h LEU 376 Cb 0.84 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3hxy h LEU 376 CO 0.07 0.76 0.48 0.25 -0.34 0.00 0.00 178.44 179.67 3hxy h LEU 377 N 0.58 1.06 -0.81 2.25 5.85 -1.24 -1.47 115.31 121.53 3hxy h LEU 377 Ca 0.13 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3hxy h LEU 377 Cb 0.36 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hxy h LEU 377 CO 0.01 0.85 -0.14 0.44 -0.34 0.00 0.00 178.44 179.26 3hxy h ASP 378 N 1.20 0.74 1.32 1.25 3.32 -1.13 -0.86 116.42 122.27 3hxy h ASP 378 Ca 0.30 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3hxy h ASP 378 Cb 0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3hxy h ASP 378 CO -0.05 0.90 -0.40 1.05 -1.72 0.00 0.00 179.24 179.02 3hxy h GLU 379 N 0.68 0.00 0.05 3.56 4.11 -1.08 -2.26 114.58 119.65 3hxy h GLU 379 Ca 0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.31 3hxy h GLU 379 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hxy h GLU 379 CO 0.04 0.40 -1.08 0.93 0.07 0.00 0.00 179.01 179.37 3hxy h GLU 380 N 0.00 0.14 0.00 1.06 4.39 -1.05 -3.25 114.58 115.88 3hxy h GLU 380 Ca -0.00 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 3hxy h GLU 380 Cb 1.16 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 3hxy h GLU 380 CO 0.05 1.08 -0.64 -0.07 -1.16 0.00 0.00 179.01 178.27 3hxy h LEU 381 N 0.05 0.00 -1.40 1.33 3.38 -1.12 -2.89 115.31 114.66 3hxy h LEU 381 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hxy h LEU 381 Cb 1.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 3hxy h LEU 381 CO 0.16 0.64 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 3hxy h ALA 382 N 1.36 1.03 -0.10 1.53 0.00 -1.44 -2.91 119.26 118.73 3hxy h ALA 382 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hxy h ALA 382 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hxy h ALA 382 CO 0.08 0.11 0.00 0.36 0.00 0.00 0.00 179.25 179.81 3hxy n LYS 383 N -3.25 2.18 -2.96 0.00 2.85 -1.20 -5.00 118.16 110.80 3hxy n LYS 383 Ca 0.00 -2.40 -0.42 0.00 -1.05 0.00 0.00 58.31 54.44 3hxy n LYS 383 Cb 0.34 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.19 3hxy n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxy s LEU 384 N -2.34 4.10 -0.27 -5.58 2.96 -1.10 -5.03 118.68 111.42 3hxy s LEU 384 Ca 0.28 0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 54.62 3hxy s LEU 384 Cb 0.23 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 3hxy s LEU 384 CO 0.05 -0.63 0.39 -0.94 -1.32 0.00 0.00 176.35 173.90 3hxy s SER 385 N 1.67 6.27 0.00 3.68 1.04 -1.26 -4.92 113.70 120.17 3hxy s SER 385 Ca 0.32 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.04 3hxy s SER 385 Cb -0.14 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.76 3hxy s SER 385 CO 0.13 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3hxy n GLY 386 N 4.67 -0.19 0.28 7.32 0.00 -1.26 -4.83 105.19 111.18 3hxy n GLY 386 Ca -0.08 -2.25 0.03 0.00 0.00 0.00 0.00 46.02 43.72 3hxy n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxy n ASP 387 N 0.00 2.43 -3.84 1.61 5.75 -1.26 -4.99 116.55 116.25 3hxy n ASP 387 Ca 0.00 -2.07 -0.22 0.00 -0.01 0.00 0.00 54.79 52.49 3hxy n ASP 387 Cb 0.00 -0.12 -0.17 0.00 -1.03 0.00 0.00 41.12 39.80 3hxy n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxy s THR 388 N -1.12 0.54 0.20 2.12 2.01 -1.26 0.83 115.64 118.95 3hxy s THR 388 Ca 0.11 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 3hxy s THR 388 Cb 0.07 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.87 3hxy s THR 388 CO 0.06 0.26 1.26 -0.22 -0.69 0.00 0.00 174.62 175.29 3hxy s LEU 389 N 1.51 4.43 0.73 4.42 2.96 0.49 -4.88 118.68 128.33 3hxy s LEU 389 Ca -0.02 2.33 -0.11 0.00 -0.22 0.00 0.00 54.13 56.11 3hxy s LEU 389 Cb -0.13 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.98 3hxy s LEU 389 CO -0.03 -0.45 1.07 1.51 -1.32 0.00 0.00 176.35 177.12 3hxy s ASP 390 N 0.22 5.08 0.35 3.68 -4.77 -1.26 -1.52 116.67 118.45 3hxy s ASP 390 Ca 0.55 1.56 0.08 0.00 -3.30 0.00 0.00 52.55 51.44 3hxy s ASP 390 Cb -0.35 -2.39 0.65 0.00 -1.09 0.00 0.00 42.92 39.74 3hxy s ASP 390 CO 0.38 -1.63 1.84 1.23 0.70 0.00 0.00 175.17 177.70 3hxy h GLY 391 N -0.85 0.32 0.99 2.12 0.00 -1.82 -3.00 103.07 100.83 3hxy h GLY 391 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3hxy h GLY 391 CO 0.57 0.20 0.27 -2.09 0.00 0.00 0.00 176.54 175.49 3hxy h GLU 392 N 0.27 0.57 -0.49 4.80 4.81 -1.93 0.14 114.58 122.76 3hxy h GLU 392 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hxy h GLU 392 Cb 0.49 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3hxy h GLU 392 CO 0.03 0.41 0.19 1.15 -0.73 0.00 0.00 179.01 180.06 3hxy h THR 393 N 0.57 1.22 -0.51 0.32 2.02 -1.92 0.11 112.91 114.71 3hxy h THR 393 Ca 0.15 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3hxy h THR 393 Cb -0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3hxy h THR 393 CO -0.03 0.25 0.02 0.00 0.37 0.00 0.00 175.52 176.14 3hxy h ALA 394 N 1.04 1.08 -0.57 6.16 0.00 -1.37 -0.72 119.26 124.88 3hxy h ALA 394 Ca 0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3hxy h ALA 394 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hxy h ALA 394 CO -0.01 0.59 -0.07 0.35 0.00 0.00 0.00 179.25 180.10 3hxy h PHE 395 N 0.79 1.17 -0.30 0.00 3.57 -0.40 -2.18 116.94 119.59 3hxy h PHE 395 Ca 0.16 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3hxy h PHE 395 Cb 0.44 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3hxy h PHE 395 CO 0.02 1.06 0.13 -0.09 -2.23 0.00 0.00 178.31 177.21 3hxy h ARG 396 N 0.94 0.45 -0.12 1.11 9.65 -0.36 0.56 114.38 126.60 3hxy h ARG 396 Ca 0.15 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3hxy h ARG 396 Cb 0.64 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 3hxy h ARG 396 CO 0.04 0.44 0.00 -0.07 2.80 0.00 0.00 179.97 183.18 3hxy h LEU 397 N 0.35 0.14 0.04 3.80 3.38 -1.09 -1.01 115.31 120.92 3hxy h LEU 397 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hxy h LEU 397 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hxy h LEU 397 CO -0.01 0.17 -0.02 0.22 0.09 0.00 0.00 178.44 178.89 3hxy h TYR 398 N 0.16 -0.05 -0.66 1.13 3.20 -0.84 0.72 116.97 120.63 3hxy h TYR 398 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3hxy h TYR 398 Cb 0.11 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3hxy h TYR 398 CO 0.00 0.52 0.28 0.22 -1.64 0.00 0.00 178.16 177.54 3hxy h ASP 399 N -0.94 0.89 0.05 -2.11 3.58 0.26 -1.21 116.42 116.93 3hxy h ASP 399 Ca -0.01 -0.16 -0.36 0.00 0.42 0.00 0.00 57.03 56.92 3hxy h ASP 399 Cb 0.60 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 3hxy h ASP 399 CO 0.01 0.80 -2.08 0.41 -2.88 0.00 0.00 179.24 175.51 3hxy n THR 400 N -4.43 1.62 0.75 2.25 -1.04 -0.40 -4.63 114.28 108.40 3hxy n THR 400 Ca 0.05 -0.47 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 3hxy n THR 400 Cb 0.16 -1.73 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 3hxy n THR 400 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hxy n TYR 401 N -3.72 0.00 -1.65 -1.42 4.01 -0.93 -4.98 117.16 108.46 3hxy n TYR 401 Ca -0.39 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.28 3hxy n TYR 401 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 3hxy n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxy n GLY 402 N 1.21 0.50 3.61 2.72 0.00 -0.46 -4.65 105.19 108.11 3hxy n GLY 402 Ca 0.07 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3hxy n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxy s PHE 403 N -2.28 2.90 0.61 1.61 0.40 0.14 -4.91 117.98 116.45 3hxy s PHE 403 Ca 0.00 0.80 -0.20 0.00 -0.60 0.00 0.00 56.93 56.94 3hxy s PHE 403 Cb 0.00 -4.23 -0.03 0.00 0.51 0.00 0.00 43.02 39.27 3hxy s PHE 403 CO 0.00 -1.14 1.30 -2.30 0.70 0.00 0.00 175.22 173.78 3hxy n PRO 404 N 7.57 1.33 -0.06 0.24 -0.02 -1.26 -3.44 135.00 139.36 3hxy n PRO 404 Ca 0.12 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3hxy n PRO 404 Cb 0.49 -2.53 0.40 0.00 -0.02 0.00 0.00 33.50 31.84 3hxy n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxy h VAL 405 N 0.89 1.08 0.00 -1.45 3.04 -1.95 -0.56 116.25 117.29 3hxy h VAL 405 Ca -0.51 -0.21 -0.08 0.00 -1.01 0.00 0.00 66.70 64.89 3hxy h VAL 405 Cb 1.33 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 3hxy h VAL 405 CO 0.54 0.11 -0.36 -2.24 -1.01 0.00 0.00 177.57 174.61 3hxy h ASP 406 N 0.62 0.00 -0.13 3.17 -0.00 -1.98 -0.26 116.42 117.84 3hxy h ASP 406 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 57.13 3hxy h ASP 406 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 3hxy h ASP 406 CO -0.05 0.36 -0.30 0.25 -0.00 0.00 0.00 179.24 179.50 3hxy h LEU 407 N 0.00 0.50 -0.77 0.15 6.46 -1.49 -0.18 115.31 119.98 3hxy h LEU 407 Ca -0.00 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 3hxy h LEU 407 Cb 0.96 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 3hxy h LEU 407 CO 0.05 0.97 0.49 0.74 -0.62 0.00 0.00 178.44 180.07 3hxy h THR 408 N 0.04 1.20 -0.08 1.05 2.02 -1.18 -2.20 112.91 113.75 3hxy h THR 408 Ca 0.00 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3hxy h THR 408 Cb 0.90 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3hxy h THR 408 CO 0.07 0.20 -0.30 0.00 0.37 0.00 0.00 175.52 175.86 3hxy h ALA 409 N 1.27 1.36 -0.50 6.16 0.00 -1.00 -2.12 119.26 124.43 3hxy h ALA 409 Ca 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hxy h ALA 409 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hxy h ALA 409 CO -0.06 0.45 0.09 0.22 0.00 0.00 0.00 179.25 179.96 3hxy h ASP 410 N 0.13 0.78 -0.21 0.00 3.58 -0.43 0.07 116.42 120.35 3hxy h ASP 410 Ca 0.02 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 3hxy h ASP 410 Cb 0.60 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3hxy h ASP 410 CO 0.04 0.83 -0.00 0.58 -2.88 0.00 0.00 179.24 177.81 3hxy h VAL 411 N 0.70 1.26 -0.17 2.25 2.07 -1.24 -3.13 116.25 117.98 3hxy h VAL 411 Ca 0.15 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3hxy h VAL 411 Cb 0.38 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3hxy h VAL 411 CO 0.01 0.27 -0.19 0.00 0.02 0.00 0.00 177.57 177.68 3hxy h ARG 413 N 0.27 0.69 0.00 0.00 2.43 -0.93 0.15 114.38 116.99 3hxy h ARG 413 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hxy h ARG 413 Cb 0.50 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hxy h ARG 413 CO 0.03 0.51 0.00 0.39 -1.51 0.00 0.00 179.97 179.39 3hxy n GLU 414 N -4.41 0.09 -0.14 0.20 1.02 -0.99 -1.93 120.64 114.49 3hxy n GLU 414 Ca 0.04 0.21 0.06 0.00 -0.02 0.00 0.00 57.16 57.45 3hxy n GLU 414 Cb 0.10 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.10 3hxy n GLU 414 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hxy n ARG 415 N -1.40 1.25 -2.42 3.49 1.74 -0.60 -4.99 116.66 113.73 3hxy n ARG 415 Ca 0.05 -2.00 -0.18 0.00 -0.77 0.00 0.00 57.85 54.96 3hxy n ARG 415 Cb 0.14 -1.18 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3hxy n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxy n ASN 416 N -0.94 -5.13 -4.48 0.55 3.02 -0.81 -5.00 115.26 102.47 3hxy n ASN 416 Ca 0.10 -0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.26 3hxy n ASN 416 Cb 0.58 -4.18 -0.13 0.00 -0.61 0.00 0.00 39.78 35.44 3hxy n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxy s ILE 417 N -2.90 3.51 0.62 2.41 -1.09 0.41 -4.95 121.20 119.21 3hxy s ILE 417 Ca 0.04 -0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3hxy s ILE 417 Cb -0.02 -2.48 0.05 0.00 -1.58 0.00 0.00 42.46 38.43 3hxy s ILE 417 CO 0.05 0.54 0.88 -0.54 -1.23 0.00 0.00 174.94 174.63 3hxy s LYS 418 N -0.03 2.34 -0.08 2.79 1.02 0.24 -3.15 119.74 122.87 3hxy s LYS 418 Ca -0.01 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.37 3hxy s LYS 418 Cb -0.14 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3hxy s LYS 418 CO 0.03 -0.96 -0.13 0.08 -0.92 0.00 0.00 175.35 173.45 3hxy s VAL 419 N -2.96 1.28 -1.08 3.17 1.01 -1.26 -0.38 120.40 120.17 3hxy s VAL 419 Ca 0.59 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 3hxy s VAL 419 Cb -0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3hxy s VAL 419 CO 0.41 0.39 1.89 -0.62 0.00 0.00 0.00 175.10 177.17 3hxy s ASP 420 N 0.81 5.34 0.29 3.32 2.15 -0.57 -4.73 116.67 123.27 3hxy s ASP 420 Ca -0.11 -1.37 0.26 0.00 0.43 0.00 0.00 52.55 51.75 3hxy s ASP 420 Cb -0.15 -2.58 0.88 0.00 -0.30 0.00 0.00 42.92 40.77 3hxy s ASP 420 CO 0.02 -2.67 1.76 -0.33 -0.17 0.00 0.00 175.17 173.77 3hxy h GLU 421 N 10.08 0.00 0.07 4.34 5.08 -1.96 -1.89 114.58 130.30 3hxy h GLU 421 Ca 0.19 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.28 3hxy h GLU 421 Cb 0.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.23 3hxy h GLU 421 CO 1.26 0.00 -1.13 0.00 -1.00 0.00 0.00 179.01 178.13 3hxy h ALA 422 N 2.32 0.13 0.00 3.43 0.00 -2.00 -2.61 119.26 120.54 3hxy h ALA 422 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 3hxy h ALA 422 Cb 0.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hxy h ALA 422 CO 0.00 0.76 -0.32 0.78 0.00 0.00 0.00 179.25 180.47 3hxy h GLY 423 N 0.76 0.00 0.50 0.00 0.00 -1.86 -1.97 103.07 100.51 3hxy h GLY 423 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3hxy h GLY 423 CO 0.21 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.91 3hxy h PHE 424 N 0.00 0.15 0.00 5.60 3.04 -1.36 -2.07 116.94 122.30 3hxy h PHE 424 Ca -0.00 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.83 3hxy h PHE 424 Cb 0.86 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3hxy h PHE 424 CO 0.00 0.69 -0.27 0.93 -2.02 0.00 0.00 178.31 177.64 3hxy h GLU 425 N -0.43 0.00 -0.25 1.11 4.39 -1.44 0.75 114.58 118.70 3hxy h GLU 425 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3hxy h GLU 425 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3hxy h GLU 425 CO 0.02 0.27 -0.19 0.00 -1.16 0.00 0.00 179.01 177.95 3hxy h ALA 426 N 1.73 0.36 -0.00 3.43 0.00 -1.37 0.04 119.26 123.45 3hxy h ALA 426 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3hxy h ALA 426 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hxy h ALA 426 CO 0.04 0.28 -0.34 0.00 0.00 0.00 0.00 179.25 179.22 3hxy h ALA 427 N 0.70 1.42 -0.14 0.00 0.00 -0.98 -1.12 119.26 119.14 3hxy h ALA 427 Ca 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3hxy h ALA 427 Cb 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hxy h ALA 427 CO 0.05 0.43 -0.11 1.98 0.00 0.00 0.00 179.25 181.61 3hxy h MET 428 N 0.01 0.32 -0.35 0.00 -1.53 -0.67 -2.87 114.93 109.83 3hxy h MET 428 Ca -0.00 -0.16 -0.05 0.00 -3.44 0.00 0.00 59.70 56.05 3hxy h MET 428 Cb 0.61 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.64 3hxy h MET 428 CO 0.05 0.68 -0.00 0.93 0.14 0.00 0.00 176.91 178.70 3hxy h GLU 429 N -0.04 0.55 -0.07 0.39 4.39 -0.77 -2.13 114.58 116.90 3hxy h GLU 429 Ca 0.03 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3hxy h GLU 429 Cb 0.61 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3hxy h GLU 429 CO 0.03 0.58 -0.33 1.49 -1.16 0.00 0.00 179.01 179.61 3hxy h GLU 430 N 0.52 0.13 0.00 2.33 4.57 -1.18 -2.03 114.58 118.93 3hxy h GLU 430 Ca 0.11 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.01 3hxy h GLU 430 Cb 0.34 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3hxy h GLU 430 CO 0.01 0.45 -0.98 0.37 -1.18 0.00 0.00 179.01 177.68 3hxy h GLN 431 N 0.11 0.49 -0.84 1.92 4.15 -1.24 -2.88 115.11 116.82 3hxy h GLN 431 Ca 0.01 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 58.90 3hxy h GLN 431 Cb 0.64 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 3hxy h GLN 431 CO 0.05 1.17 0.51 0.00 -1.93 0.00 0.00 178.83 178.63 3hxy h ARG 432 N 0.27 1.13 0.00 1.69 3.08 -0.97 -1.70 114.38 117.88 3hxy h ARG 432 Ca -0.10 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hxy h ARG 432 Cb 1.62 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3hxy h ARG 432 CO 0.18 0.79 0.00 0.07 -1.07 0.00 0.00 179.97 179.94 3hxy h ARG 433 N 1.15 0.00 -0.11 0.04 0.11 -1.44 -1.20 114.38 112.93 3hxy h ARG 433 Ca 0.30 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.19 3hxy h ARG 433 Cb -0.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 3hxy h ARG 433 CO -0.06 0.00 -0.71 0.00 0.10 0.00 0.00 179.97 179.30 3hxy h ARG 434 N 0.00 0.52 -0.40 0.08 3.08 -1.21 0.90 114.38 117.35 3hxy h ARG 434 Ca 0.00 -0.41 -0.14 0.00 0.07 0.00 0.00 59.98 59.51 3hxy h ARG 434 Cb 0.90 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3hxy h ARG 434 CO 0.00 1.03 -0.29 0.00 -1.07 0.00 0.00 179.97 179.65 3hxy h ALA 435 N 0.86 0.73 -0.45 0.04 0.00 -1.01 -0.49 119.26 118.93 3hxy h ALA 435 Ca -0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3hxy h ALA 435 Cb 1.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hxy h ALA 435 CO 0.13 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.95 3hxy h ARG 436 N 0.74 0.85 -0.26 0.00 3.08 -1.14 0.22 114.38 117.87 3hxy h ARG 436 Ca 0.08 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3hxy h ARG 436 Cb 0.84 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3hxy h ARG 436 CO 0.07 0.94 0.08 1.49 -1.07 0.00 0.00 179.97 181.49 3hxy h GLU 437 N 0.68 0.41 -0.03 0.04 4.81 -0.74 -1.34 114.58 118.41 3hxy h GLU 437 Ca 0.12 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3hxy h GLU 437 Cb 0.62 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hxy h GLU 437 CO 0.04 0.48 -0.09 0.00 -0.73 0.00 0.00 179.01 178.71 3hxy h ALA 438 N 0.91 0.05 -0.15 2.92 0.00 -1.07 -3.32 119.26 118.60 3hxy h ALA 438 Ca 0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3hxy h ALA 438 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hxy h ALA 438 CO -0.00 -0.08 -0.53 0.66 0.00 0.00 0.00 179.25 179.30 3hxy h SER 439 N -0.44 0.48 0.00 0.00 4.64 -1.02 -3.47 113.55 113.74 3hxy h SER 439 Ca -0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hxy h SER 439 Cb 0.69 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hxy h SER 439 CO 0.02 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3hxy n GLY 440 N 0.18 2.40 0.26 -0.77 0.00 -0.51 -5.07 105.19 101.68 3hxy n GLY 440 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3hxy n GLY 440 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29