#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hky s MET 2 N 0.00 4.53 0.25 4.33 1.00 -1.26 -2.38 119.30 125.77 3hky s MET 2 Ca 0.00 1.12 -0.06 0.00 0.00 0.00 0.00 55.69 56.75 3hky s MET 2 Cb 0.00 -3.23 0.27 0.00 0.00 0.00 0.00 34.83 31.87 3hky s MET 2 CO 0.00 0.56 1.93 0.66 0.00 0.00 0.00 175.02 178.17 3hky h SER 3 N 4.27 1.15 -4.82 3.03 4.64 -1.24 -3.39 113.55 117.18 3hky h SER 3 Ca -0.47 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.66 3hky h SER 3 Cb 1.21 -0.28 -0.22 0.00 -0.31 0.00 0.00 62.40 62.80 3hky h SER 3 CO 0.66 0.83 -0.56 -0.31 -0.87 0.00 0.00 176.83 176.57 3hky s TYR 4 N -6.11 0.08 0.15 4.77 2.02 -1.26 -1.07 117.35 115.94 3hky s TYR 4 Ca -0.13 -0.19 0.11 0.00 -0.37 0.00 0.00 57.07 56.49 3hky s TYR 4 Cb 0.18 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 3hky s TYR 4 CO 0.82 -0.23 -0.25 0.95 -1.57 0.00 0.00 175.55 175.27 3hky s THR 5 N -1.22 2.24 -0.03 -0.71 -4.23 -0.44 -4.80 115.64 106.46 3hky s THR 5 Ca -0.13 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 3hky s THR 5 Cb -0.07 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3hky s THR 5 CO 0.01 -0.01 -0.21 0.26 -0.54 0.00 0.00 174.62 174.12 3hky s TRP 6 N -1.33 1.98 0.06 3.99 0.52 -1.26 -1.14 118.94 121.76 3hky s TRP 6 Ca 0.16 -0.48 0.09 0.00 0.02 0.00 0.00 56.10 55.89 3hky s TRP 6 Cb -0.09 -1.30 -0.22 0.00 -1.15 0.00 0.00 33.47 30.71 3hky s TRP 6 CO 0.07 -0.11 1.05 1.79 0.02 0.00 0.00 176.95 179.77 3hky h THR 7 N 4.88 1.40 0.00 2.01 1.35 -1.35 -3.48 112.91 117.72 3hky h THR 7 Ca -0.36 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.34 3hky h THR 7 Cb 1.15 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 3hky h THR 7 CO 0.48 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 3hky n GLY 8 N 1.43 2.01 3.77 5.82 0.00 -1.26 -5.07 105.19 111.89 3hky n GLY 8 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3hky n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky s ALA 9 N -2.04 3.37 0.49 4.61 0.00 -1.26 -4.97 121.76 121.96 3hky s ALA 9 Ca 0.00 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.05 3hky s ALA 9 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3hky s ALA 9 CO 0.00 -0.77 0.98 -0.51 0.00 0.00 0.00 175.76 175.45 3hky s LEU 10 N -2.18 3.71 -0.44 0.00 1.43 -1.26 -4.81 118.68 115.14 3hky s LEU 10 Ca 0.54 1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 54.97 3hky s LEU 10 Cb -0.39 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.34 3hky s LEU 10 CO 0.51 -0.53 1.01 -0.63 0.23 0.00 0.00 176.35 176.95 3hky s ILE 11 N -2.51 4.40 0.11 -0.59 1.01 -1.26 -4.80 121.20 117.57 3hky s ILE 11 Ca 0.60 1.09 0.03 0.00 0.00 0.00 0.00 60.65 62.38 3hky s ILE 11 Cb -0.10 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 3hky s ILE 11 CO 0.26 -0.80 0.12 0.42 0.00 0.00 0.00 174.94 174.94 3hky s THR 12 N 3.93 4.63 0.56 2.92 -4.23 -1.26 -4.90 115.64 117.29 3hky s THR 12 Ca 0.42 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 3hky s THR 12 Cb -0.10 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 3hky s THR 12 CO 0.26 0.03 0.97 -2.16 -0.54 0.00 0.00 174.62 173.18 3hky s PRO 13 N -2.70 3.69 -0.00 3.99 0.04 -1.26 -4.38 135.00 134.38 3hky s PRO 13 Ca 0.31 0.71 0.20 0.00 0.04 0.00 0.00 61.00 62.26 3hky s PRO 13 Cb -0.11 -2.15 -0.22 0.00 0.04 0.00 0.00 34.50 32.05 3hky s PRO 13 CO 0.23 -0.41 0.87 0.00 0.04 0.00 0.00 177.00 177.73 3hky s ALA 15 N -2.93 0.08 0.45 0.00 0.00 -1.26 -5.14 121.76 112.95 3hky s ALA 15 Ca 0.08 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 3hky s ALA 15 Cb 0.15 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 24.17 3hky s ALA 15 CO 0.84 -0.87 1.41 0.00 0.00 0.00 0.00 175.76 177.14 3hky n ALA 16 N -0.53 1.91 -3.57 0.00 0.00 -1.26 -5.00 120.51 112.07 3hky n ALA 16 Ca -0.03 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 3hky n ALA 16 Cb 0.61 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.53 3hky n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hky s GLU 17 N -2.41 3.07 -0.01 0.00 2.02 -1.26 -5.11 118.70 115.00 3hky s GLU 17 Ca 0.61 -0.83 -0.19 0.00 0.02 0.00 0.00 54.97 54.58 3hky s GLU 17 Cb -0.46 -2.47 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 3hky s GLU 17 CO 0.58 0.01 0.55 -1.21 0.02 0.00 0.00 175.26 175.21 3hky s GLU 18 N 0.77 4.26 -0.00 1.61 0.41 -1.26 -4.96 118.70 119.53 3hky s GLU 18 Ca -0.08 0.65 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 3hky s GLU 18 Cb -0.16 -3.33 -0.00 0.00 -1.78 0.00 0.00 34.13 28.86 3hky s GLU 18 CO -0.00 0.41 0.01 -1.13 -0.49 0.00 0.00 175.26 174.05 3hky n SER 19 N 2.65 0.92 -4.33 -0.19 3.41 -1.26 -4.63 113.62 110.19 3hky n SER 19 Ca -0.08 -0.41 -0.24 0.00 -0.26 0.00 0.00 58.87 57.87 3hky n SER 19 Cb 0.51 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.34 3hky n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hky s LYS 20 N -1.20 1.24 0.04 4.33 1.02 -1.26 -1.51 119.74 122.40 3hky s LYS 20 Ca 0.00 -1.29 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 3hky s LYS 20 Cb 0.00 -1.48 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 3hky s LYS 20 CO 0.01 0.33 0.88 -1.17 -0.92 0.00 0.00 175.35 174.48 3hky s LEU 21 N -2.20 4.43 0.43 3.17 2.96 -1.26 -4.96 118.68 121.25 3hky s LEU 21 Ca 0.11 1.59 -0.09 0.00 -0.22 0.00 0.00 54.13 55.52 3hky s LEU 21 Cb -0.09 -3.42 -0.06 0.00 0.50 0.00 0.00 46.19 43.12 3hky s LEU 21 CO 0.06 -0.10 0.78 -2.16 -1.32 0.00 0.00 176.35 173.61 3hky s PRO 22 N 0.34 3.71 -0.54 0.98 0.04 -1.26 -4.96 135.00 133.31 3hky s PRO 22 Ca 0.45 0.41 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 3hky s PRO 22 Cb -0.21 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.97 3hky s PRO 22 CO 0.26 -0.10 1.41 0.42 0.04 0.00 0.00 177.00 179.03 3hky s ILE 23 N -2.50 3.81 -0.06 0.56 1.01 -1.26 -4.98 121.20 117.78 3hky s ILE 23 Ca 0.50 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.89 3hky s ILE 23 Cb -0.10 -4.41 0.01 0.00 0.01 0.00 0.00 42.46 37.97 3hky s ILE 23 CO 0.36 -1.11 -0.13 0.21 0.00 0.00 0.00 174.94 174.26 3hky s ASN 24 N 4.35 1.84 0.20 3.58 2.47 -1.26 -5.07 114.94 121.04 3hky s ASN 24 Ca 0.53 -0.31 -0.19 0.00 0.42 0.00 0.00 52.86 53.32 3hky s ASN 24 Cb -0.11 -0.74 0.16 0.00 -1.45 0.00 0.00 41.25 39.11 3hky s ASN 24 CO 0.26 0.07 1.60 -0.65 -3.72 0.00 0.00 177.10 174.65 3hky h PRO 25 N 6.73 -0.12 -0.28 0.43 0.11 -1.98 0.42 132.00 137.31 3hky h PRO 25 Ca -0.31 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hky h PRO 25 Cb 1.18 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hky h PRO 25 CO 0.48 -0.08 0.16 -0.07 -0.21 0.00 0.00 178.00 178.28 3hky h LEU 26 N -0.12 0.35 -1.01 2.35 3.38 -1.97 -1.70 115.31 116.59 3hky h LEU 26 Ca 0.26 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3hky h LEU 26 Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hky h LEU 26 CO -0.68 0.33 -0.48 0.77 0.09 0.00 0.00 178.44 178.47 3hky h SER 27 N 0.35 0.00 -0.28 -0.43 4.64 -1.83 -2.37 113.55 113.62 3hky h SER 27 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3hky h SER 27 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3hky h SER 27 CO -0.02 0.48 -0.07 -1.13 -0.87 0.00 0.00 176.83 175.23 3hky h ASN 28 N 0.00 0.64 0.01 4.97 -1.24 -0.66 0.98 115.58 120.29 3hky h ASN 28 Ca -0.00 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.82 3hky h ASN 28 Cb 0.88 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 3hky h ASN 28 CO 0.06 0.76 -0.06 0.28 -1.29 0.00 0.00 177.43 177.18 3hky h SER 29 N 0.62 0.12 0.09 1.15 0.02 -0.78 -3.03 113.55 111.73 3hky h SER 29 Ca 0.12 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 3hky h SER 29 Cb 0.49 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hky h SER 29 CO 0.03 0.20 -0.85 0.25 -1.14 0.00 0.00 176.83 175.31 3hky h LEU 30 N 0.13 0.29 -7.36 5.07 5.85 -1.30 -3.43 115.31 114.55 3hky h LEU 30 Ca 0.03 -0.89 -0.23 0.00 0.84 0.00 0.00 57.88 57.63 3hky h LEU 30 Cb 0.19 -0.09 -0.32 0.00 0.37 0.00 0.00 40.66 40.81 3hky h LEU 30 CO 0.01 1.38 -0.56 -0.22 -0.34 0.00 0.00 178.44 178.71 3hky s LEU 31 N -7.86 0.44 -0.18 2.25 0.20 0.31 -4.26 118.68 109.58 3hky s LEU 31 Ca -0.18 0.40 0.17 0.00 0.69 0.00 0.00 54.13 55.21 3hky s LEU 31 Cb 0.02 0.49 -0.25 0.00 -0.43 0.00 0.00 46.19 46.02 3hky s LEU 31 CO 0.76 -0.17 0.10 0.54 -0.29 0.00 0.00 176.35 177.28 3hky n ARG 32 N 4.45 0.82 -1.76 1.98 3.00 -0.72 -3.87 116.66 120.56 3hky n ARG 32 Ca -0.22 -0.02 -0.40 0.00 -0.01 0.00 0.00 57.85 57.20 3hky n ARG 32 Cb 0.52 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.47 3hky n ARG 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hky n HIS 33 N -2.68 2.61 0.05 -1.55 8.25 -1.07 -4.73 115.22 116.11 3hky n HIS 33 Ca -0.29 -2.93 0.16 0.00 -0.26 0.00 0.00 57.72 54.40 3hky n HIS 33 Cb 1.08 -2.12 0.65 0.00 1.12 0.00 0.00 29.99 30.72 3hky n HIS 33 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3hky h HIS 34 N 4.92 0.06 0.00 4.41 2.07 -1.86 -0.62 115.15 124.14 3hky h HIS 34 Ca 0.73 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.25 3hky h HIS 34 Cb 0.34 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.30 3hky h HIS 34 CO 1.67 0.03 0.00 0.09 -3.07 0.00 0.00 177.93 176.65 3hky n ASN 35 N -4.43 0.00 -0.05 3.10 5.03 -1.26 -1.80 115.26 115.85 3hky n ASN 35 Ca 0.07 0.30 0.12 0.00 0.87 0.00 0.00 54.58 55.93 3hky n ASN 35 Cb 0.44 -0.38 0.19 0.00 -1.02 0.00 0.00 39.78 39.02 3hky n ASN 35 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 3hky n MET 36 N -1.38 0.15 -3.65 3.52 2.81 -0.24 -4.86 117.12 113.47 3hky n MET 36 Ca 0.04 -0.09 -0.36 0.00 -1.81 0.00 0.00 57.70 55.47 3hky n MET 36 Cb 0.09 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.03 3hky n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hky s VAL 37 N -2.92 5.36 0.02 2.03 1.01 -0.74 -0.92 120.40 124.24 3hky s VAL 37 Ca 0.12 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 3hky s VAL 37 Cb 0.17 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hky s VAL 37 CO 0.71 0.45 0.18 -0.72 0.00 0.00 0.00 175.10 175.71 3hky s TYR 38 N 0.16 0.04 -0.08 5.22 1.13 -0.85 -4.23 117.35 118.74 3hky s TYR 38 Ca 0.13 -0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.59 3hky s TYR 38 Cb -0.12 -0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 3hky s TYR 38 CO 0.02 -0.38 -0.05 0.00 -2.51 0.00 0.00 175.55 172.63 3hky s ALA 39 N -2.12 3.05 0.45 9.51 0.00 -0.57 -1.14 121.76 130.93 3hky s ALA 39 Ca -0.09 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 3hky s ALA 39 Cb -0.03 -1.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 3hky s ALA 39 CO -0.02 0.56 1.15 0.95 0.00 0.00 0.00 175.76 178.40 3hky s THR 40 N -0.76 3.19 0.41 0.00 -4.23 -0.02 -4.53 115.64 109.70 3hky s THR 40 Ca 0.12 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.57 3hky s THR 40 Cb -0.11 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 3hky s THR 40 CO 0.02 0.00 0.12 0.42 -0.54 0.00 0.00 174.62 174.64 3hky s THR 41 N -1.55 0.66 -0.04 3.99 -4.23 -1.26 -4.24 115.64 108.97 3hky s THR 41 Ca 0.62 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.44 3hky s THR 41 Cb -0.28 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 71.52 3hky s THR 41 CO 0.34 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 177.11 3hky h SER 42 N 1.79 0.00 -0.11 3.99 4.64 -1.89 -2.88 113.55 119.09 3hky h SER 42 Ca -0.36 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.99 3hky h SER 42 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hky h SER 42 CO 0.58 0.00 0.17 0.03 -0.87 0.00 0.00 176.83 176.75 3hky h ARG 43 N 0.00 0.00 -0.58 4.77 3.08 -1.95 -1.73 114.38 117.97 3hky h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hky h ARG 43 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hky h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3hky n SER 44 N -3.52 3.54 0.06 7.04 3.41 -1.09 -4.66 113.62 118.40 3hky n SER 44 Ca -0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.62 3hky n SER 44 Cb 0.27 -0.38 0.34 0.00 -0.26 0.00 0.00 64.21 64.18 3hky n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hky h ALA 45 N 3.37 1.44 -0.30 7.33 0.00 -1.47 -2.54 119.26 127.09 3hky h ALA 45 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hky h ALA 45 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3hky h ALA 45 CO 0.00 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.31 3hky h SER 46 N 0.37 0.41 -0.54 0.00 4.64 -1.83 0.90 113.55 117.50 3hky h SER 46 Ca 0.08 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3hky h SER 46 Cb 0.35 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3hky h SER 46 CO 0.02 0.48 0.21 -0.07 -0.87 0.00 0.00 176.83 176.60 3hky h LEU 47 N 0.43 0.76 -0.38 5.97 4.07 -1.81 -2.05 115.31 122.31 3hky h LEU 47 Ca 0.10 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 3hky h LEU 47 Cb 0.28 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3hky h LEU 47 CO 0.01 0.73 -0.06 -0.09 -1.08 0.00 0.00 178.44 177.94 3hky h ARG 48 N 0.74 0.71 -0.90 1.13 9.65 -1.28 -2.87 114.38 121.56 3hky h ARG 48 Ca 0.18 -0.26 0.15 0.00 -1.10 0.00 0.00 59.98 58.95 3hky h ARG 48 Cb 0.21 -0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.65 3hky h ARG 48 CO -0.01 0.85 0.51 1.96 2.80 0.00 0.00 179.97 186.07 3hky h GLN 49 N 0.52 0.70 -0.59 0.20 4.20 -0.71 -0.52 115.11 118.92 3hky h GLN 49 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hky h GLN 49 Cb 0.57 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3hky h GLN 49 CO 0.03 0.47 0.35 -0.22 -0.67 0.00 0.00 178.83 178.79 3hky h LYS 50 N 0.73 0.80 -0.56 1.46 3.64 -1.23 -2.69 116.57 118.72 3hky h LYS 50 Ca 0.49 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3hky h LYS 50 Cb 0.65 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3hky h LYS 50 CO -0.34 0.58 0.06 0.87 -2.27 0.00 0.00 179.45 178.35 3hky h LYS 51 N 0.79 0.95 -0.00 1.90 1.57 -0.93 -3.19 116.57 117.66 3hky h LYS 51 Ca 0.21 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hky h LYS 51 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3hky h LYS 51 CO -0.04 0.93 -0.11 1.33 -0.57 0.00 0.00 179.45 180.98 3hky n VAL 52 N -4.31 0.00 -3.60 0.50 0.24 -0.44 -4.79 118.33 105.93 3hky n VAL 52 Ca 0.02 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 3hky n VAL 52 Cb 0.29 -0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.41 3hky n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hky s THR 53 N -2.55 4.66 0.12 3.34 2.01 -1.02 -4.67 115.64 117.53 3hky s THR 53 Ca 0.27 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 3hky s THR 53 Cb 0.20 -3.53 0.07 0.00 0.01 0.00 0.00 72.50 69.25 3hky s THR 53 CO 0.49 -0.14 0.91 0.72 -0.69 0.00 0.00 174.62 175.91 3hky s PHE 54 N 1.59 -0.21 0.09 4.92 -0.71 -1.26 -4.97 117.98 117.43 3hky s PHE 54 Ca 0.03 -0.06 -0.26 0.00 -1.04 0.00 0.00 56.93 55.60 3hky s PHE 54 Cb -0.18 0.61 -0.06 0.00 -1.21 0.00 0.00 43.02 42.18 3hky s PHE 54 CO 0.07 -0.78 0.81 0.34 -1.34 0.00 0.00 175.22 174.32 3hky s ASP 55 N -2.81 7.32 -0.18 1.98 2.15 -1.26 -0.75 116.67 123.11 3hky s ASP 55 Ca 0.10 1.58 -0.04 0.00 0.43 0.00 0.00 52.55 54.62 3hky s ASP 55 Cb -0.02 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3hky s ASP 55 CO -0.01 0.06 -0.04 -0.13 -0.17 0.00 0.00 175.17 174.88 3hky s ARG 56 N -0.36 3.57 -0.10 4.34 3.00 -1.00 -4.97 118.95 123.42 3hky s ARG 56 Ca 0.39 -0.56 0.02 0.00 0.00 0.00 0.00 55.73 55.58 3hky s ARG 56 Cb -0.22 -2.96 -0.02 0.00 0.00 0.00 0.00 34.95 31.76 3hky s ARG 56 CO 0.25 0.08 -0.15 -0.48 0.00 0.00 0.00 175.30 175.00 3hky s LEU 57 N 0.78 2.63 -0.05 2.53 0.05 -1.26 -4.26 118.68 119.11 3hky s LEU 57 Ca -0.01 -0.31 0.02 0.00 0.05 0.00 0.00 54.13 53.87 3hky s LEU 57 Cb -0.14 -1.56 0.01 0.00 -2.05 0.00 0.00 46.19 42.45 3hky s LEU 57 CO 0.02 0.23 -0.09 -1.58 -0.55 0.00 0.00 176.35 174.38 3hky s GLN 58 N -0.03 1.17 -0.20 1.48 0.74 -1.26 -4.25 119.66 117.31 3hky s GLN 58 Ca -0.04 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.10 3hky s GLN 58 Cb -0.14 -1.05 0.05 0.00 1.10 0.00 0.00 33.01 32.96 3hky s GLN 58 CO 0.04 0.01 -0.07 0.08 -0.55 0.00 0.00 175.29 174.80 3hky s VAL 59 N 0.61 1.46 -0.11 1.34 1.01 -0.39 -5.04 120.40 119.29 3hky s VAL 59 Ca -0.10 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3hky s VAL 59 Cb -0.13 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3hky s VAL 59 CO 0.02 0.07 0.25 -0.76 0.00 0.00 0.00 175.10 174.68 3hky s LEU 60 N 1.46 4.35 0.00 3.92 1.43 -1.26 -4.28 118.68 124.31 3hky s LEU 60 Ca -0.02 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3hky s LEU 60 Cb -0.17 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3hky s LEU 60 CO -0.07 0.28 0.03 -0.90 0.23 0.00 0.00 176.35 175.91 3hky n ASP 61 N 2.55 2.18 -0.10 2.29 5.68 -1.26 -5.02 116.55 122.87 3hky n ASP 61 Ca -0.16 -1.63 -0.05 0.00 -0.50 0.00 0.00 54.79 52.45 3hky n ASP 61 Cb 0.53 0.07 0.15 0.00 -1.14 0.00 0.00 41.12 40.74 3hky n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hky h ASP 62 N 0.32 0.75 -0.96 -1.12 3.32 -1.99 -2.26 116.42 114.47 3hky h ASP 62 Ca -0.12 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3hky h ASP 62 Cb 0.37 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3hky h ASP 62 CO 0.19 0.85 0.59 0.45 -1.72 0.00 0.00 179.24 179.61 3hky h HIS 63 N 0.71 1.25 -0.15 4.55 3.86 -1.97 0.20 115.15 123.60 3hky h HIS 63 Ca 0.13 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3hky h HIS 63 Cb 0.51 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 3hky h HIS 63 CO 0.03 0.82 -0.03 -0.92 0.86 0.00 0.00 177.93 178.68 3hky h TYR 64 N 1.32 0.33 -0.61 2.45 5.03 -1.82 -1.89 116.97 121.77 3hky h TYR 64 Ca 0.35 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.51 3hky h TYR 64 Cb -0.08 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 3hky h TYR 64 CO 0.00 0.56 0.06 0.00 -1.32 0.00 0.00 178.16 177.47 3hky h ARG 65 N -0.00 1.02 -0.12 1.82 3.08 -1.17 -0.34 114.38 118.66 3hky h ARG 65 Ca 0.04 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.84 3hky h ARG 65 Cb 0.45 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3hky h ARG 65 CO 0.01 0.96 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.37 3hky h ASP 66 N 0.95 -0.22 -0.59 7.04 5.19 -0.60 -2.13 116.42 126.06 3hky h ASP 66 Ca 0.18 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.54 3hky h ASP 66 Cb 0.47 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 3hky h ASP 66 CO 0.02 -0.09 -0.04 0.58 -3.12 0.00 0.00 179.24 176.59 3hky h VAL 67 N -0.06 1.27 -0.56 -1.35 2.07 -1.07 -2.66 116.25 113.87 3hky h VAL 67 Ca 0.07 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.42 3hky h VAL 67 Cb 0.17 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hky h VAL 67 CO -0.16 0.43 0.34 0.25 0.02 0.00 0.00 177.57 178.45 3hky h LEU 68 N 0.96 0.55 -1.00 2.57 5.85 -0.93 -0.90 115.31 122.41 3hky h LEU 68 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hky h LEU 68 Cb 0.61 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3hky h LEU 68 CO 0.04 0.39 0.51 0.11 -0.34 0.00 0.00 178.44 179.14 3hky h LYS 69 N 0.67 1.20 -0.73 1.25 1.57 -1.25 -0.23 116.57 119.05 3hky h LYS 69 Ca 0.23 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3hky h LYS 69 Cb 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3hky h LYS 69 CO -0.10 0.86 0.37 0.93 -0.57 0.00 0.00 179.45 180.94 3hky h GLU 70 N 1.22 1.05 -0.29 3.15 5.08 -1.01 -1.73 114.58 122.04 3hky h GLU 70 Ca 0.31 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3hky h GLU 70 Cb -0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3hky h GLU 70 CO -0.06 0.80 0.06 0.52 -1.00 0.00 0.00 179.01 179.34 3hky h MET 71 N 1.02 0.47 -0.57 2.33 2.86 -0.74 -2.96 114.93 117.34 3hky h MET 71 Ca 0.25 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hky h MET 71 Cb 0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3hky h MET 71 CO -0.04 0.57 0.36 0.87 1.06 0.00 0.00 176.91 179.74 3hky h LYS 72 N 0.30 0.76 -0.38 1.72 1.57 -0.92 -1.14 116.57 118.47 3hky h LYS 72 Ca 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hky h LYS 72 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hky h LYS 72 CO 0.00 0.51 0.08 0.00 -0.57 0.00 0.00 179.45 179.48 3hky h ALA 73 N 1.63 1.42 0.07 3.86 0.00 -1.18 -1.80 119.26 123.26 3hky h ALA 73 Ca 0.21 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 3hky h ALA 73 Cb -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hky h ALA 73 CO -0.04 0.42 -1.11 0.87 0.00 0.00 0.00 179.25 179.39 3hky h LYS 74 N 0.56 0.39 -0.06 0.00 1.57 -1.23 -3.17 116.57 114.63 3hky h LYS 74 Ca 0.13 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 3hky h LYS 74 Cb 0.24 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hky h LYS 74 CO -0.00 1.19 -0.08 0.00 -0.57 0.00 0.00 179.45 179.99 3hky h ALA 75 N 0.61 1.76 0.00 3.86 0.00 -0.99 -2.83 119.26 121.67 3hky h ALA 75 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hky h ALA 75 Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3hky h ALA 75 CO 0.19 0.18 0.00 0.43 0.00 0.00 0.00 179.25 180.05 3hky n SER 76 N -4.39 0.46 -0.09 0.00 7.64 -0.70 -1.65 113.62 114.89 3hky n SER 76 Ca -0.02 0.68 0.13 0.00 1.01 0.00 0.00 58.87 60.68 3hky n SER 76 Cb 0.19 -0.75 0.50 0.00 -1.01 0.00 0.00 64.21 63.13 3hky n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hky n THR 77 N -2.08 0.00 -3.28 0.44 -2.24 -1.07 -4.83 114.28 101.22 3hky n THR 77 Ca -0.00 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 3hky n THR 77 Cb 0.08 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 3hky n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hky s VAL 78 N -2.67 4.83 -0.23 2.28 1.01 -0.66 -5.00 120.40 119.96 3hky s VAL 78 Ca 0.22 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.39 3hky s VAL 78 Cb 0.19 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.72 3hky s VAL 78 CO 0.54 0.51 -0.13 -0.75 0.00 0.00 0.00 175.10 175.27 3hky s LYS 79 N -0.80 2.62 -0.10 2.72 2.20 -1.26 -0.55 119.74 124.56 3hky s LYS 79 Ca 0.29 -1.10 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 3hky s LYS 79 Cb -0.19 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3hky s LYS 79 CO 0.18 -0.42 0.05 0.00 -0.36 0.00 0.00 175.35 174.80 3hky s ALA 80 N 1.21 3.49 0.07 3.13 0.00 -0.28 -4.92 121.76 124.46 3hky s ALA 80 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3hky s ALA 80 Cb -0.17 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 3hky s ALA 80 CO -0.08 0.56 0.29 -1.59 0.00 0.00 0.00 175.76 174.95 3hky s LYS 81 N -0.83 3.55 0.03 0.00 -2.85 -1.26 -4.42 119.74 113.96 3hky s LYS 81 Ca 0.13 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.60 3hky s LYS 81 Cb -0.12 -2.98 -0.05 0.00 -2.06 0.00 0.00 37.83 32.62 3hky s LYS 81 CO 0.03 0.57 1.17 -1.17 0.10 0.00 0.00 175.35 176.05 3hky s LEU 82 N -2.32 4.35 0.35 2.77 2.96 -1.26 -4.55 118.68 120.98 3hky s LEU 82 Ca 0.35 1.93 -0.26 0.00 -0.22 0.00 0.00 54.13 55.93 3hky s LEU 82 Cb -0.13 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 3hky s LEU 82 CO 0.23 -0.46 0.99 -0.76 -1.32 0.00 0.00 176.35 175.02 3hky s LEU 83 N 1.28 4.28 0.82 -0.68 1.02 -0.77 -5.05 118.68 119.58 3hky s LEU 83 Ca 0.57 1.93 -0.12 0.00 0.02 0.00 0.00 54.13 56.53 3hky s LEU 83 Cb -0.27 -4.06 0.09 0.00 0.02 0.00 0.00 46.19 41.97 3hky s LEU 83 CO 0.28 -0.21 1.10 -0.94 0.02 0.00 0.00 176.35 176.59 3hky s SER 84 N -1.56 4.23 0.21 2.29 1.04 -1.26 -4.71 113.70 113.94 3hky s SER 84 Ca 0.52 1.29 -0.09 0.00 0.48 0.00 0.00 55.95 58.16 3hky s SER 84 Cb -0.20 -2.00 0.25 0.00 0.10 0.00 0.00 66.02 64.17 3hky s SER 84 CO 0.26 -2.13 1.80 0.40 0.98 0.00 0.00 173.24 174.55 3hky h ILE 85 N -1.20 0.95 -0.61 -1.02 2.04 -1.98 -1.72 117.51 113.98 3hky h ILE 85 Ca -0.48 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3hky h ILE 85 Cb 1.28 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3hky h ILE 85 CO 0.59 0.12 0.35 -0.33 0.00 0.00 0.00 178.15 178.88 3hky h GLU 86 N 0.68 0.84 -0.79 2.37 5.08 -1.99 -1.19 114.58 119.58 3hky h GLU 86 Ca 0.31 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3hky h GLU 86 Cb 0.21 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3hky h GLU 86 CO -0.19 0.62 0.46 0.93 -1.00 0.00 0.00 179.01 179.83 3hky h GLU 87 N 0.82 1.08 -0.40 2.33 5.08 -1.85 -2.36 114.58 119.28 3hky h GLU 87 Ca 0.22 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3hky h GLU 87 Cb 0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3hky h GLU 87 CO -0.04 0.78 -0.25 0.00 -1.00 0.00 0.00 179.01 178.50 3hky h ALA 88 N 1.24 0.81 -0.65 3.43 0.00 -1.06 -3.05 119.26 119.98 3hky h ALA 88 Ca 0.28 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hky h ALA 88 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hky h ALA 88 CO -0.05 0.65 0.19 0.00 0.00 0.00 0.00 179.25 180.03 3hky h LYS 90 N 0.96 0.00 0.00 0.00 6.56 -1.37 -2.40 116.57 120.32 3hky h LYS 90 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 3hky h LYS 90 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3hky h LYS 90 CO -0.00 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.67 3hky n LEU 91 N -2.30 0.00 -4.70 2.94 4.77 -1.05 -4.85 117.00 111.81 3hky n LEU 91 Ca 0.03 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 3hky n LEU 91 Cb 0.27 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3hky n LEU 91 CO 0.22 -0.00 0.51 -0.89 -1.33 0.00 0.00 177.39 175.90 3hky s THR 92 N -2.32 4.97 0.40 -5.08 2.01 -0.90 -0.75 115.64 113.96 3hky s THR 92 Ca 0.37 1.62 -0.27 0.00 0.31 0.00 0.00 61.69 63.72 3hky s THR 92 Cb 0.21 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3hky s THR 92 CO 0.42 0.18 1.41 -2.84 -0.69 0.00 0.00 174.62 173.10 3hky s PRO 93 N 1.17 3.98 0.57 4.92 0.02 -1.26 -4.75 135.00 139.65 3hky s PRO 93 Ca 0.41 2.40 0.27 0.00 0.02 0.00 0.00 61.00 64.10 3hky s PRO 93 Cb -0.18 -2.85 1.56 0.00 0.02 0.00 0.00 34.50 33.06 3hky s PRO 93 CO 0.19 -0.57 2.07 -1.35 -0.33 0.00 0.00 177.00 177.00 3hky h PRO 94 N 2.78 0.00 -0.54 5.54 0.11 -1.95 -2.21 132.00 135.72 3hky h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hky h PRO 94 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hky h PRO 94 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 3hky n HIS 95 N -3.95 1.04 -1.56 0.65 8.25 -1.26 -4.25 115.22 114.14 3hky n HIS 95 Ca 0.03 -0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 56.53 3hky n HIS 95 Cb 0.39 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.41 3hky n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hky n SER 96 N 0.88 0.26 -4.73 0.41 2.88 -0.83 -4.87 113.62 107.61 3hky n SER 96 Ca 0.21 0.76 -0.42 0.00 -1.33 0.00 0.00 58.87 58.10 3hky n SER 96 Cb 0.71 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 3hky n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hky s ALA 97 N -1.60 3.80 0.88 -1.46 0.00 -1.26 -4.34 121.76 117.79 3hky s ALA 97 Ca 0.74 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 54.09 3hky s ALA 97 Cb -0.41 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.19 3hky s ALA 97 CO 0.49 -0.87 1.13 -1.59 0.00 0.00 0.00 175.76 174.92 3hky s LYS 98 N 0.58 1.30 0.39 0.00 -2.85 -1.26 -4.54 119.74 113.36 3hky s LYS 98 Ca 0.69 1.44 -0.21 0.00 -1.00 0.00 0.00 55.97 56.88 3hky s LYS 98 Cb -0.46 -1.77 -0.10 0.00 -2.06 0.00 0.00 37.83 33.43 3hky s LYS 98 CO 0.37 -2.40 0.91 0.45 0.10 0.00 0.00 175.35 174.78 3hky s SER 99 N -2.86 6.99 0.16 0.03 0.15 0.47 -4.63 113.70 114.00 3hky s SER 99 Ca 0.65 1.64 0.15 0.00 0.70 0.00 0.00 55.95 59.10 3hky s SER 99 Cb -0.21 -2.52 0.72 0.00 -1.71 0.00 0.00 66.02 62.30 3hky s SER 99 CO 0.58 -0.28 1.47 2.29 1.20 0.00 0.00 173.24 178.50 3hky n LYS 100 N -0.35 0.09 -0.73 5.44 2.85 -1.26 -2.92 118.16 121.27 3hky n LYS 100 Ca 0.05 0.47 0.01 0.00 -1.05 0.00 0.00 58.31 57.80 3hky n LYS 100 Cb 0.53 -1.73 0.28 0.00 -0.65 0.00 0.00 35.03 33.46 3hky n LYS 100 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3hky n PHE 101 N -1.91 1.73 -1.24 5.58 3.72 -1.26 -4.89 117.46 119.19 3hky n PHE 101 Ca 0.01 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 3hky n PHE 101 Cb 0.10 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 3hky n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hky n GLY 102 N 0.24 0.76 3.25 1.37 0.00 -1.15 -5.02 105.19 104.65 3hky n GLY 102 Ca 0.26 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 3hky n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hky s TYR 103 N -2.00 0.23 0.00 1.61 1.13 -1.26 -5.02 117.35 112.06 3hky s TYR 103 Ca 0.00 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 3hky s TYR 103 Cb 0.00 -0.06 -0.00 0.00 -1.10 0.00 0.00 41.96 40.80 3hky s TYR 103 CO 0.00 -0.61 0.00 0.41 -2.51 0.00 0.00 175.55 172.85 3hky n GLY 104 N -0.12 4.12 0.30 5.49 0.00 -1.26 -0.39 105.19 113.34 3hky n GLY 104 Ca -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 3hky n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky h ALA 105 N 1.01 1.33 -0.13 4.61 0.00 -1.83 -1.31 119.26 122.94 3hky h ALA 105 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hky h ALA 105 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hky h ALA 105 CO 0.01 0.49 -0.40 0.87 0.00 0.00 0.00 179.25 180.21 3hky h LYS 106 N 0.74 0.28 -0.33 0.00 1.57 -1.88 0.14 116.57 117.08 3hky h LYS 106 Ca 0.17 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3hky h LYS 106 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hky h LYS 106 CO -0.01 0.64 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.04 3hky h ASP 107 N 0.24 0.60 -0.01 0.86 3.32 -1.71 -0.98 116.42 118.73 3hky h ASP 107 Ca 0.02 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.77 3hky h ASP 107 Cb 0.81 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3hky h ASP 107 CO 0.06 0.79 -0.19 0.58 -1.72 0.00 0.00 179.24 178.77 3hky h VAL 108 N 0.40 0.55 0.00 -1.35 2.07 -0.94 0.14 116.25 117.12 3hky h VAL 108 Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hky h VAL 108 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3hky h VAL 108 CO 0.02 0.00 -0.30 0.03 0.02 0.00 0.00 177.57 177.34 3hky h ARG 109 N -0.30 0.00 -0.00 1.57 3.08 -0.94 -0.69 114.38 117.09 3hky h ARG 109 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hky h ARG 109 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hky h ARG 109 CO -0.19 0.30 -0.21 0.09 -1.07 0.00 0.00 179.97 178.89 3hky n ASN 110 N -3.95 0.55 -3.00 7.04 3.02 -0.38 -4.85 115.26 113.69 3hky n ASN 110 Ca -0.02 -0.44 -0.16 0.00 -0.03 0.00 0.00 54.58 53.93 3hky n ASN 110 Cb 0.37 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.60 3hky n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hky n LEU 111 N -1.07 -3.47 -4.76 3.41 4.77 -0.08 -4.97 117.00 110.82 3hky n LEU 111 Ca 0.11 -0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 55.29 3hky n LEU 111 Cb 0.31 -2.62 0.07 0.00 -2.33 0.00 0.00 43.42 38.86 3hky n LEU 111 CO 0.27 0.39 0.72 -0.94 -1.33 0.00 0.00 177.39 176.51 3hky s SER 112 N -3.79 4.73 0.27 -1.43 1.04 -0.49 -4.79 113.70 109.24 3hky s SER 112 Ca 0.18 1.95 -0.02 0.00 0.48 0.00 0.00 55.95 58.54 3hky s SER 112 Cb -0.08 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.88 3hky s SER 112 CO 0.60 -1.89 1.83 0.77 0.98 0.00 0.00 173.24 175.53 3hky h SER 113 N -0.55 0.82 -0.37 7.02 4.64 -1.93 -1.48 113.55 121.71 3hky h SER 113 Ca -0.45 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 3hky h SER 113 Cb 1.24 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3hky h SER 113 CO 0.52 0.78 0.02 -0.09 -0.87 0.00 0.00 176.83 177.19 3hky h ARG 114 N 0.86 0.63 0.23 4.77 2.43 -1.97 -1.71 114.38 119.62 3hky h ARG 114 Ca 0.19 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hky h ARG 114 Cb 0.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hky h ARG 114 CO -0.01 0.73 -0.11 0.00 -1.51 0.00 0.00 179.97 179.07 3hky h ALA 115 N 0.88 -0.32 -0.27 2.80 0.00 -1.84 -1.71 119.26 118.81 3hky h ALA 115 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hky h ALA 115 Cb 0.43 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hky h ALA 115 CO 0.02 -0.54 -0.04 0.28 0.00 0.00 0.00 179.25 178.97 3hky h VAL 116 N -0.60 1.19 0.01 0.00 2.07 -1.33 -0.66 116.25 116.92 3hky h VAL 116 Ca -0.03 -0.77 -0.20 0.00 0.82 0.00 0.00 66.70 66.51 3hky h VAL 116 Cb 0.43 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3hky h VAL 116 CO 0.05 0.26 -0.96 0.78 0.02 0.00 0.00 177.57 177.72 3hky h ASN 117 N 0.41 0.04 -0.25 0.57 2.35 -1.32 -1.92 115.58 115.45 3hky h ASN 117 Ca 0.09 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3hky h ASN 117 Cb 0.34 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3hky h ASN 117 CO 0.01 0.97 0.00 -0.74 -1.65 0.00 0.00 177.43 176.03 3hky h HIS 118 N 0.01 0.49 -0.60 1.19 2.76 -0.86 -2.60 115.15 115.54 3hky h HIS 118 Ca -0.02 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3hky h HIS 118 Cb 1.69 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.49 3hky h HIS 118 CO 0.01 0.61 0.38 0.82 -1.30 0.00 0.00 177.93 178.45 3hky h ILE 119 N 0.23 1.12 -0.76 6.26 2.04 -1.12 -0.83 117.51 124.44 3hky h ILE 119 Ca 0.07 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3hky h ILE 119 Cb 0.41 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3hky h ILE 119 CO 0.01 0.14 0.50 0.03 0.00 0.00 0.00 178.15 178.83 3hky h ARG 120 N 0.77 0.76 -0.02 2.37 3.08 -1.38 -1.42 114.38 118.54 3hky h ARG 120 Ca 0.23 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.06 3hky h ARG 120 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3hky h ARG 120 CO -0.07 0.50 -0.75 0.66 -1.07 0.00 0.00 179.97 179.24 3hky h SER 121 N 0.79 0.22 -0.37 7.04 4.64 -0.80 -2.38 113.55 122.67 3hky h SER 121 Ca 0.33 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 3hky h SER 121 Cb 0.29 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hky h SER 121 CO -0.12 0.89 -0.17 0.58 -0.87 0.00 0.00 176.83 177.14 3hky h VAL 122 N 0.11 1.28 -0.05 0.95 2.07 -0.74 -2.08 116.25 117.79 3hky h VAL 122 Ca -0.02 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.22 3hky h VAL 122 Cb 1.33 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3hky h VAL 122 CO 0.11 0.43 -0.04 -0.25 0.02 0.00 0.00 177.57 177.84 3hky h TRP 123 N 0.56 -0.10 -0.22 1.57 2.91 -1.23 -2.38 115.95 117.06 3hky h TRP 123 Ca 0.08 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 3hky h TRP 123 Cb 0.71 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 3hky h TRP 123 CO 0.06 -0.07 -0.10 0.93 -1.03 0.00 0.00 178.44 178.23 3hky h GLU 124 N -0.05 0.36 -0.13 2.65 4.39 -1.39 -2.63 114.58 117.78 3hky h GLU 124 Ca 0.04 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3hky h GLU 124 Cb 0.10 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3hky h GLU 124 CO -0.08 0.46 -0.27 0.22 -1.16 0.00 0.00 179.01 178.18 3hky h ASP 125 N 0.34 0.23 0.44 1.42 1.82 -1.09 -0.63 116.42 118.95 3hky h ASP 125 Ca 0.07 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 3hky h ASP 125 Cb 0.39 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 3hky h ASP 125 CO 0.02 0.50 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.92 3hky h LEU 126 N 0.21 0.00 0.12 2.28 3.38 -1.05 0.23 115.31 120.47 3hky h LEU 126 Ca 0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.70 3hky h LEU 126 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hky h LEU 126 CO 0.04 0.17 -1.51 -0.07 0.09 0.00 0.00 178.44 177.16 3hky h LEU 127 N 0.00 0.39 0.00 1.67 3.38 -1.34 -3.37 115.31 116.03 3hky h LEU 127 Ca -0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3hky h LEU 127 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hky h LEU 127 CO 0.02 1.44 -0.78 -0.33 0.09 0.00 0.00 178.44 178.89 3hky h GLU 128 N 0.07 0.00 -4.22 1.13 4.39 -0.93 -3.44 114.58 111.58 3hky h GLU 128 Ca -0.23 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.97 3hky h GLU 128 Cb 2.01 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 30.30 3hky h GLU 128 CO 0.17 0.06 -0.80 0.34 -1.16 0.00 0.00 179.01 177.62 3hky s ASP 129 N -5.68 1.83 0.00 1.42 -1.08 0.79 -5.01 116.67 108.93 3hky s ASP 129 Ca 0.01 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.89 3hky s ASP 129 Cb 0.08 -0.73 0.14 0.00 -1.46 0.00 0.00 42.92 40.95 3hky s ASP 129 CO 0.76 -0.08 0.95 0.35 0.52 0.00 0.00 175.17 177.67 3hky n THR 130 N 4.55 0.35 0.00 1.71 -2.24 -1.26 -4.46 114.28 112.93 3hky n THR 130 Ca -0.16 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3hky n THR 130 Cb 0.51 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3hky n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hky n GLU 131 N 0.47 0.03 -1.99 -0.78 1.02 -1.26 -4.69 120.64 113.44 3hky n GLU 131 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3hky n GLU 131 Cb 0.29 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.98 3hky n GLU 131 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hky s THR 132 N -1.41 3.51 0.32 2.62 2.01 -1.26 -4.68 115.64 116.75 3hky s THR 132 Ca 0.00 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 3hky s THR 132 Cb 0.00 -3.42 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 3hky s THR 132 CO 0.00 -0.05 1.26 -2.65 -0.69 0.00 0.00 174.62 172.49 3hky n PRO 133 N 6.99 1.98 -3.37 4.92 -0.02 -1.26 -4.74 135.00 139.49 3hky n PRO 133 Ca 0.17 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.97 3hky n PRO 133 Cb 0.42 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3hky n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hky s ILE 134 N -0.93 5.13 0.55 4.25 1.01 0.42 -4.96 121.20 126.67 3hky s ILE 134 Ca 0.58 0.91 -0.20 0.00 0.00 0.00 0.00 60.65 61.94 3hky s ILE 134 Cb -0.60 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 3hky s ILE 134 CO 0.60 0.41 1.19 -0.62 0.00 0.00 0.00 174.94 176.52 3hky s ASP 135 N 0.09 5.51 0.10 3.58 2.15 -1.26 -4.52 116.67 122.32 3hky s ASP 135 Ca 0.25 2.34 0.02 0.00 0.43 0.00 0.00 52.55 55.59 3hky s ASP 135 Cb -0.16 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 3hky s ASP 135 CO 0.11 -1.37 -0.07 0.42 -0.17 0.00 0.00 175.17 174.09 3hky s THR 136 N -1.61 0.74 -0.09 1.71 -4.23 -1.18 -4.44 115.64 106.55 3hky s THR 136 Ca 0.73 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3hky s THR 136 Cb -0.29 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3hky s THR 136 CO 0.33 -0.85 0.09 -0.89 -0.54 0.00 0.00 174.62 172.75 3hky s THR 137 N -3.55 5.01 -0.13 3.99 2.01 0.33 -1.08 115.64 122.20 3hky s THR 137 Ca 0.12 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 3hky s THR 137 Cb 0.05 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 3hky s THR 137 CO -0.04 0.56 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.81 3hky s ILE 138 N -1.02 3.04 0.12 1.82 2.07 -0.41 -1.84 121.20 124.97 3hky s ILE 138 Ca 0.16 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 3hky s ILE 138 Cb -0.12 -2.28 -0.04 0.00 0.13 0.00 0.00 42.46 40.15 3hky s ILE 138 CO 0.06 0.52 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.48 3hky s MET 139 N 0.40 0.95 -0.06 3.50 -1.94 -0.46 -4.44 119.30 117.25 3hky s MET 139 Ca -0.10 -1.38 -0.21 0.00 -1.71 0.00 0.00 55.69 52.29 3hky s MET 139 Cb -0.16 -0.44 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 3hky s MET 139 CO 0.05 0.04 0.60 0.00 -0.01 0.00 0.00 175.02 175.70 3hky s ALA 140 N -3.39 3.43 0.28 3.03 0.00 -1.26 -0.57 121.76 123.28 3hky s ALA 140 Ca 0.14 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 3hky s ALA 140 Cb 0.03 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 3hky s ALA 140 CO -0.02 0.02 0.87 0.21 0.00 0.00 0.00 175.76 176.84 3hky s LYS 141 N 0.40 4.51 -0.44 0.00 2.20 0.14 -4.79 119.74 121.76 3hky s LYS 141 Ca 0.32 1.20 -0.18 0.00 -0.36 0.00 0.00 55.97 56.95 3hky s LYS 141 Cb -0.17 -2.89 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 3hky s LYS 141 CO 0.16 0.35 0.51 0.45 -0.36 0.00 0.00 175.35 176.46 3hky s SER 142 N -1.56 6.23 0.05 1.43 0.15 -1.26 -4.36 113.70 114.37 3hky s SER 142 Ca 0.46 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3hky s SER 142 Cb -0.19 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3hky s SER 142 CO 0.24 -0.68 -0.14 -1.61 1.20 0.00 0.00 173.24 172.25 3hky s GLU 143 N 2.35 0.93 -0.15 5.44 2.02 -1.26 -4.89 118.70 123.13 3hky s GLU 143 Ca 0.15 -0.80 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 3hky s GLU 143 Cb -0.17 -0.94 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 3hky s GLU 143 CO 0.14 0.23 0.14 0.08 0.02 0.00 0.00 175.26 175.87 3hky s VAL 144 N -0.92 5.48 0.21 2.63 1.01 -1.26 -0.84 120.40 126.70 3hky s VAL 144 Ca 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3hky s VAL 144 Cb -0.08 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3hky s VAL 144 CO 0.01 0.56 0.15 -0.36 0.00 0.00 0.00 175.10 175.46 3hky s PHE 145 N -0.58 1.17 0.01 5.22 0.08 -0.30 -4.79 117.98 118.80 3hky s PHE 145 Ca 0.13 -1.38 -0.04 0.00 0.12 0.00 0.00 56.93 55.76 3hky s PHE 145 Cb -0.12 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 3hky s PHE 145 CO 0.02 -0.66 0.23 0.00 -0.10 0.00 0.00 175.22 174.71 3hky s VAL 147 N -1.35 3.10 -0.44 0.00 -7.23 -0.10 -4.98 120.40 109.41 3hky s VAL 147 Ca 0.29 1.02 0.05 0.00 -1.81 0.00 0.00 61.98 61.53 3hky s VAL 147 Cb -0.13 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.36 3hky s VAL 147 CO 0.19 0.21 0.42 0.00 -0.31 0.00 0.00 175.10 175.60 3hky n GLN 148 N 1.65 0.55 -2.70 4.82 6.02 -1.26 -4.88 117.38 121.58 3hky n GLN 148 Ca 0.02 -3.34 -0.43 0.00 -0.01 0.00 0.00 57.00 53.24 3hky n GLN 148 Cb 0.43 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3hky n GLN 148 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hky s PRO 149 N -0.52 4.04 0.00 -1.09 0.04 -1.26 -4.84 135.00 131.37 3hky s PRO 149 Ca 0.33 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3hky s PRO 149 Cb 0.08 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3hky s PRO 149 CO -0.16 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3hky n GLY 153 N 3.94 2.29 3.07 0.56 0.00 -1.26 -5.29 105.19 108.51 3hky n GLY 153 Ca 0.10 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 3hky n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hky s ARG 154 N -2.24 0.96 0.34 1.61 0.52 -1.26 -4.67 118.95 114.20 3hky s ARG 154 Ca 0.00 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 3hky s ARG 154 Cb 0.00 -0.93 -0.09 0.00 0.52 0.00 0.00 34.95 34.45 3hky s ARG 154 CO 0.00 0.25 1.19 0.15 0.02 0.00 0.00 175.30 176.91 3hky s LYS 155 N -0.32 4.35 0.70 3.54 1.02 -1.26 -5.04 119.74 122.73 3hky s LYS 155 Ca 0.04 1.94 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 3hky s LYS 155 Cb -0.05 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3hky s LYS 155 CO -0.00 -0.10 1.07 -1.25 -0.92 0.00 0.00 175.35 174.15 3hky s PRO 156 N -1.86 2.93 0.45 -1.68 0.04 -1.26 -4.88 135.00 128.74 3hky s PRO 156 Ca 0.50 0.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 3hky s PRO 156 Cb -0.34 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 3hky s PRO 156 CO 0.44 -1.06 1.34 0.00 0.04 0.00 0.00 177.00 177.77 3hky s ALA 157 N -3.15 3.16 0.50 8.56 0.00 -1.26 -4.96 121.76 124.61 3hky s ALA 157 Ca 0.58 1.31 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 3hky s ALA 157 Cb -0.13 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 3hky s ALA 157 CO 0.54 -1.03 1.06 1.03 0.00 0.00 0.00 175.76 177.37 3hky s ARG 158 N -2.46 3.69 -0.15 0.00 0.52 -1.26 -4.68 118.95 114.61 3hky s ARG 158 Ca 0.61 1.44 -0.10 0.00 -0.52 0.00 0.00 55.73 57.16 3hky s ARG 158 Cb -0.40 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 3hky s ARG 158 CO 0.50 -0.54 0.17 -0.51 0.02 0.00 0.00 175.30 174.94 3hky s LEU 159 N -3.54 4.29 -0.07 2.53 1.43 -1.26 0.25 118.68 122.31 3hky s LEU 159 Ca 0.69 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 3hky s LEU 159 Cb -0.19 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3hky s LEU 159 CO 0.22 0.26 -0.13 -0.51 0.23 0.00 0.00 176.35 176.42 3hky s ILE 160 N -0.21 3.16 -0.12 -0.59 1.10 0.27 -4.85 121.20 119.96 3hky s ILE 160 Ca 0.13 -0.67 0.02 0.00 -0.51 0.00 0.00 60.65 59.61 3hky s ILE 160 Cb -0.12 -2.26 0.02 0.00 0.15 0.00 0.00 42.46 40.24 3hky s ILE 160 CO 0.02 0.58 -0.15 -0.69 -2.11 0.00 0.00 174.94 172.58 3hky s VAL 161 N -0.54 1.53 -0.02 4.00 1.01 -1.26 -1.35 120.40 123.77 3hky s VAL 161 Ca 0.07 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3hky s VAL 161 Cb -0.12 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3hky s VAL 161 CO 0.02 0.45 0.30 0.72 0.00 0.00 0.00 175.10 176.59 3hky s PHE 162 N 1.05 -0.19 0.72 5.22 -0.71 -0.77 -0.70 117.98 122.60 3hky s PHE 162 Ca -0.05 0.30 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 3hky s PHE 162 Cb -0.15 0.09 0.09 0.00 -1.21 0.00 0.00 43.02 41.85 3hky s PHE 162 CO -0.03 -0.37 1.01 -1.25 -1.34 0.00 0.00 175.22 173.25 3hky s PRO 163 N -1.20 1.89 0.76 1.99 0.04 -1.26 -0.51 135.00 136.70 3hky s PRO 163 Ca -0.12 -0.61 -0.15 0.00 0.04 0.00 0.00 61.00 60.16 3hky s PRO 163 Cb -0.05 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.32 3hky s PRO 163 CO 0.04 -1.38 1.23 0.34 0.04 0.00 0.00 177.00 177.28 3hky s ASP 164 N -4.62 3.91 0.25 6.66 2.15 -1.26 -4.76 116.67 119.00 3hky s ASP 164 Ca 0.63 2.45 -0.03 0.00 0.43 0.00 0.00 52.55 56.03 3hky s ASP 164 Cb -0.08 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.43 3hky s ASP 164 CO 0.45 -2.46 1.74 0.25 -0.17 0.00 0.00 175.17 174.97 3hky h LEU 165 N -0.45 0.35 -0.58 -1.34 5.85 -1.82 -1.60 115.31 115.71 3hky h LEU 165 Ca -0.48 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3hky h LEU 165 Cb 1.31 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3hky h LEU 165 CO 0.48 0.13 0.24 1.23 -0.34 0.00 0.00 178.44 180.19 3hky h GLY 166 N 0.49 0.82 1.07 3.75 0.00 -1.95 -1.90 103.07 105.35 3hky h GLY 166 Ca 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hky h GLY 166 CO -0.40 0.03 0.56 -2.08 0.00 0.00 0.00 176.54 174.65 3hky h VAL 167 N 0.45 1.25 -0.27 4.60 2.07 -1.67 -2.84 116.25 119.83 3hky h VAL 167 Ca 0.28 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3hky h VAL 167 Cb 0.30 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3hky h VAL 167 CO -0.26 0.26 -0.15 0.03 0.02 0.00 0.00 177.57 177.47 3hky h ARG 168 N 1.26 0.47 -0.30 1.57 3.08 -0.67 -0.15 114.38 119.65 3hky h ARG 168 Ca 0.33 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 60.07 3hky h ARG 168 Cb -0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3hky h ARG 168 CO -0.06 0.61 -0.48 0.28 -1.07 0.00 0.00 179.97 179.25 3hky h VAL 169 N 0.43 1.28 -0.84 2.04 2.07 -1.25 -2.80 116.25 117.19 3hky h VAL 169 Ca 0.08 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3hky h VAL 169 Cb 0.52 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3hky h VAL 169 CO 0.03 0.54 0.44 0.00 0.02 0.00 0.00 177.57 178.61 3hky h GLU 171 N 1.17 0.43 -0.43 0.00 5.08 -0.98 -1.64 114.58 118.21 3hky h GLU 171 Ca 0.29 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 3hky h GLU 171 Cb 0.05 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3hky h GLU 171 CO -0.04 0.28 0.20 0.87 -1.00 0.00 0.00 179.01 179.32 3hky h LYS 172 N 0.44 0.40 -0.46 2.33 1.57 -1.14 0.34 116.57 120.05 3hky h LYS 172 Ca 0.29 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3hky h LYS 172 Cb 0.32 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3hky h LYS 172 CO -0.27 0.26 0.20 0.52 -0.57 0.00 0.00 179.45 179.60 3hky h MET 173 N 0.41 0.39 0.05 3.15 2.86 -0.83 -1.52 114.93 119.45 3hky h MET 173 Ca 0.19 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.56 3hky h MET 173 Cb 0.11 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hky h MET 173 CO -0.14 0.26 -1.06 0.00 1.06 0.00 0.00 176.91 177.03 3hky h ALA 174 N 1.27 0.24 0.00 6.32 0.00 -1.00 -2.05 119.26 124.04 3hky h ALA 174 Ca 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hky h ALA 174 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hky h ALA 174 CO -0.17 0.82 -0.01 1.28 0.00 0.00 0.00 179.25 181.17 3hky n LEU 175 N -3.71 0.00 -0.15 0.00 4.77 0.08 -4.76 117.00 113.23 3hky n LEU 175 Ca -0.08 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.58 3hky n LEU 175 Cb 0.90 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.04 3hky n LEU 175 CO 0.53 0.00 0.98 0.22 -1.33 0.00 0.00 177.39 177.79 3hky h TYR 176 N 0.00 0.36 -0.60 -1.77 3.20 -1.35 -0.66 116.97 116.14 3hky h TYR 176 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3hky h TYR 176 Cb 0.00 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3hky h TYR 176 CO 0.00 0.15 0.09 0.22 -1.64 0.00 0.00 178.16 176.99 3hky h ASP 177 N 0.40 0.94 0.36 -2.11 3.58 -1.80 -1.64 116.42 116.15 3hky h ASP 177 Ca 0.22 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 3hky h ASP 177 Cb 0.18 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3hky h ASP 177 CO -0.19 0.94 -0.17 0.58 -2.88 0.00 0.00 179.24 177.52 3hky h VAL 178 N 0.93 0.65 0.00 2.25 2.07 -1.64 -1.62 116.25 118.88 3hky h VAL 178 Ca 0.19 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3hky h VAL 178 Cb 0.41 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3hky h VAL 178 CO 0.01 0.01 0.00 -0.37 0.02 0.00 0.00 177.57 177.24 3hky h VAL 179 N -0.52 0.00 0.00 2.57 -1.51 -1.09 0.11 116.25 115.81 3hky h VAL 179 Ca -0.05 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 3hky h VAL 179 Cb 0.39 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3hky h VAL 179 CO 0.08 0.00 -0.49 0.28 -1.23 0.00 0.00 177.57 176.21 3hky h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.08 -3.43 113.55 113.25 3hky h SER 180 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3hky h SER 180 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3hky h SER 180 CO 0.00 0.06 -1.18 0.41 -1.14 0.00 0.00 176.83 174.98 3hky n THR 181 N -2.93 0.18 -0.05 -2.27 -1.04 -0.63 -4.68 114.28 102.86 3hky n THR 181 Ca 0.02 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.79 3hky n THR 181 Cb 0.56 -0.69 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 3hky n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hky h LEU 182 N 0.00 0.81 -0.86 -4.42 6.46 -1.00 -3.07 115.31 113.22 3hky h LEU 182 Ca -0.07 -0.59 0.05 0.00 -0.12 0.00 0.00 57.88 57.14 3hky h LEU 182 Cb 1.12 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.76 3hky h LEU 182 CO -0.01 1.26 0.54 -0.65 -0.62 0.00 0.00 178.44 178.96 3hky h PRO 183 N 0.40 0.99 -0.38 5.25 0.11 -1.83 -1.08 132.00 135.46 3hky h PRO 183 Ca -0.02 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.90 3hky h PRO 183 Cb 1.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3hky h PRO 183 CO 0.12 0.66 -0.28 0.37 -0.21 0.00 0.00 178.00 178.65 3hky h GLN 184 N 1.02 0.80 -0.67 1.05 4.15 -1.88 0.83 115.11 120.41 3hky h GLN 184 Ca 0.36 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.44 3hky h GLN 184 Cb 0.09 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 3hky h GLN 184 CO -0.15 0.99 0.44 0.00 -1.93 0.00 0.00 178.83 178.19 3hky h ALA 185 N 0.99 1.58 0.11 3.38 0.00 -1.32 -0.85 119.26 123.15 3hky h ALA 185 Ca 0.08 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3hky h ALA 185 Cb 0.82 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hky h ALA 185 CO 0.07 0.36 -1.23 0.28 0.00 0.00 0.00 179.25 178.73 3hky h VAL 186 N 0.85 1.16 0.00 0.00 2.07 -0.96 -3.41 116.25 115.95 3hky h VAL 186 Ca 0.26 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3hky h VAL 186 Cb -0.01 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3hky h VAL 186 CO -0.07 0.69 -0.89 0.23 0.02 0.00 0.00 177.57 177.55 3hky n MET 187 N -4.01 1.42 0.00 1.57 2.81 0.26 -4.90 117.12 114.28 3hky n MET 187 Ca -0.22 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 3hky n MET 187 Cb 0.86 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 3hky n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hky n GLY 188 N 1.41 3.24 0.13 3.03 0.00 -0.33 -2.12 105.19 110.55 3hky n GLY 188 Ca 0.02 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3hky n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hky n SER 189 N 3.61 0.58 0.19 1.61 3.41 -1.26 -2.41 113.62 119.35 3hky n SER 189 Ca 0.00 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 3hky n SER 189 Cb 0.00 -0.80 0.49 0.00 -0.26 0.00 0.00 64.21 63.64 3hky n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hky h SER 190 N 0.00 0.00 -3.33 4.04 0.02 -1.59 -3.44 113.55 109.26 3hky h SER 190 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hky h SER 190 Cb 0.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3hky h SER 190 CO 0.00 0.00 1.04 -0.47 -1.14 0.00 0.00 176.83 176.26 3hky s TYR 191 N -3.39 2.50 0.35 3.45 5.04 -1.01 -0.55 117.35 123.74 3hky s TYR 191 Ca 0.05 0.71 0.13 0.00 -2.44 0.00 0.00 57.07 55.52 3hky s TYR 191 Cb 0.09 -4.27 0.70 0.00 0.35 0.00 0.00 41.96 38.82 3hky s TYR 191 CO 0.53 -1.84 1.80 0.78 -1.34 0.00 0.00 175.55 175.48 3hky h GLY 192 N 11.88 0.00 1.63 8.97 0.00 -1.24 -3.25 103.07 121.07 3hky h GLY 192 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hky h GLY 192 CO 1.09 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.32 3hky n PHE 193 N -4.01 0.00 0.83 5.60 3.72 -1.26 -2.38 117.46 119.96 3hky n PHE 193 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3hky n PHE 193 Cb 0.43 -0.31 0.52 0.00 -0.94 0.00 0.00 39.48 39.18 3hky n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hky n GLN 194 N -1.31 0.02 -4.09 -1.08 10.64 -1.23 -2.49 117.38 117.84 3hky n GLN 194 Ca 0.11 0.09 -0.35 0.00 -1.83 0.00 0.00 57.00 55.02 3hky n GLN 194 Cb 0.20 -1.53 -0.09 0.00 -0.86 0.00 0.00 30.24 27.96 3hky n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hky s TYR 195 N -3.01 3.26 1.03 2.61 2.02 -1.00 -4.72 117.35 117.54 3hky s TYR 195 Ca 0.12 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.81 3hky s TYR 195 Cb 0.16 -2.01 0.21 0.00 -0.40 0.00 0.00 41.96 39.92 3hky s TYR 195 CO 0.46 0.26 1.08 -1.54 -1.57 0.00 0.00 175.55 174.24 3hky s SER 196 N 0.00 2.30 0.16 2.29 1.04 -1.26 -4.71 113.70 113.53 3hky s SER 196 Ca 0.05 1.23 -0.17 0.00 0.48 0.00 0.00 55.95 57.54 3hky s SER 196 Cb -0.12 -1.91 0.09 0.00 0.10 0.00 0.00 66.02 64.18 3hky s SER 196 CO 0.01 -3.34 1.68 -0.65 0.98 0.00 0.00 173.24 171.93 3hky h PRO 197 N -2.03 0.04 -0.06 4.02 0.11 -1.92 0.74 132.00 132.89 3hky h PRO 197 Ca -0.56 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 3hky h PRO 197 Cb 1.33 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 3hky h PRO 197 CO 0.57 0.02 -0.31 1.57 -0.21 0.00 0.00 178.00 179.64 3hky h LYS 198 N 0.04 0.11 -0.05 1.05 2.10 -1.76 -2.04 116.57 116.01 3hky h LYS 198 Ca 0.19 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.64 3hky h LYS 198 Cb 0.28 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 3hky h LYS 198 CO -0.37 0.41 -0.68 1.96 -2.00 0.00 0.00 179.45 178.77 3hky h GLN 199 N 0.10 0.21 -0.44 0.07 4.20 -1.66 -2.09 115.11 115.50 3hky h GLN 199 Ca 0.01 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 3hky h GLN 199 Cb 0.59 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3hky h GLN 199 CO 0.04 0.81 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.69 3hky h ARG 200 N 0.15 0.93 -0.01 1.46 2.43 -0.51 -1.60 114.38 117.22 3hky h ARG 200 Ca -0.02 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3hky h ARG 200 Cb 1.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3hky h ARG 200 CO 0.10 1.07 0.01 0.28 -1.51 0.00 0.00 179.97 179.92 3hky h VAL 201 N 0.76 1.02 -0.40 0.20 2.07 -1.30 -1.61 116.25 116.99 3hky h VAL 201 Ca 0.10 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3hky h VAL 201 Cb 0.80 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3hky h VAL 201 CO 0.07 0.01 0.12 -0.08 0.02 0.00 0.00 177.57 177.71 3hky h GLU 202 N 0.00 0.27 -0.63 1.57 4.81 -1.34 0.23 114.58 119.48 3hky h GLU 202 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3hky h GLU 202 Cb 0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3hky h GLU 202 CO -0.00 0.18 0.28 0.35 -0.73 0.00 0.00 179.01 179.09 3hky h PHE 203 N 0.27 0.92 0.01 0.92 3.57 -1.13 0.13 116.94 121.63 3hky h PHE 203 Ca 0.19 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hky h PHE 203 Cb 0.19 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3hky h PHE 203 CO -0.16 0.71 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.55 3hky h LEU 204 N 0.87 -0.02 -0.00 0.59 3.38 -0.73 -0.19 115.31 119.21 3hky h LEU 204 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hky h LEU 204 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hky h LEU 204 CO -0.02 0.18 0.00 0.58 0.09 0.00 0.00 178.44 179.27 3hky h VAL 205 N -0.21 1.16 -0.25 1.22 2.07 -0.46 -1.89 116.25 117.88 3hky h VAL 205 Ca -0.00 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3hky h VAL 205 Cb 0.21 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3hky h VAL 205 CO 0.00 0.12 0.12 0.78 0.02 0.00 0.00 177.57 178.61 3hky h ASN 206 N -0.19 0.18 -0.51 0.57 -0.26 -0.76 -0.70 115.58 113.90 3hky h ASN 206 Ca 0.00 0.01 0.09 0.00 -0.56 0.00 0.00 56.30 55.84 3hky h ASN 206 Cb 0.20 -0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.36 3hky h ASN 206 CO -0.00 0.14 0.09 0.74 -1.06 0.00 0.00 177.43 177.34 3hky h THR 207 N 0.26 0.70 -0.60 2.81 2.02 -0.99 0.37 112.91 117.47 3hky h THR 207 Ca 0.11 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3hky h THR 207 Cb 0.04 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3hky h THR 207 CO -0.08 0.04 0.38 -0.25 0.37 0.00 0.00 175.52 175.98 3hky h TRP 208 N 0.23 0.71 -0.07 3.16 2.91 -0.84 -2.50 115.95 119.55 3hky h TRP 208 Ca 0.26 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.20 3hky h TRP 208 Cb 0.36 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 3hky h TRP 208 CO -0.24 0.43 -0.41 0.87 -1.03 0.00 0.00 178.44 178.06 3hky h LYS 209 N 0.76 0.14 0.00 2.65 1.57 -0.42 -3.14 116.57 118.13 3hky h LYS 209 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hky h LYS 209 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hky h LYS 209 CO -0.08 0.53 0.00 -1.13 -0.57 0.00 0.00 179.45 178.20 3hky n SER 210 N -4.04 0.41 -4.83 0.86 3.41 0.05 -4.73 113.62 104.76 3hky n SER 210 Ca -0.02 0.63 -0.38 0.00 -0.26 0.00 0.00 58.87 58.84 3hky n SER 210 Cb 0.46 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 3hky n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hky s LYS 211 N -3.25 3.99 0.20 4.33 -0.14 -1.19 -4.98 119.74 118.69 3hky s LYS 211 Ca 0.03 0.47 -0.11 0.00 -1.36 0.00 0.00 55.97 55.01 3hky s LYS 211 Cb 0.08 -3.23 0.21 0.00 -1.68 0.00 0.00 37.83 33.20 3hky s LYS 211 CO 0.28 0.66 1.78 0.87 -0.76 0.00 0.00 175.35 178.18 3hky h LYS 212 N 4.75 0.52 -2.16 1.68 1.57 -1.90 -3.37 116.57 117.65 3hky h LYS 212 Ca -0.51 -0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 57.74 3hky h LYS 212 Cb 1.22 -0.12 -0.34 0.00 0.08 0.00 0.00 32.23 33.07 3hky h LYS 212 CO 0.62 0.34 -0.85 0.00 -0.57 0.00 0.00 179.45 179.00 3hky s PRO 214 N 0.58 4.29 0.07 0.00 0.04 -1.26 0.57 135.00 139.28 3hky s PRO 214 Ca 0.27 2.31 0.05 0.00 0.04 0.00 0.00 61.00 63.68 3hky s PRO 214 Cb -0.05 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 3hky s PRO 214 CO -0.11 -0.30 -0.15 1.41 0.04 0.00 0.00 177.00 177.90 3hky s MET 215 N -1.72 0.84 0.00 4.56 1.75 -0.06 -4.69 119.30 119.99 3hky s MET 215 Ca 0.51 -0.96 -0.17 0.00 -1.25 0.00 0.00 55.69 53.82 3hky s MET 215 Cb -0.42 -0.87 0.03 0.00 2.84 0.00 0.00 34.83 36.42 3hky s MET 215 CO 0.54 0.19 0.37 0.20 -0.65 0.00 0.00 175.02 175.68 3hky s GLY 216 N -1.72 -0.22 0.01 2.11 0.00 -0.28 -0.41 107.32 106.81 3hky s GLY 216 Ca -0.01 0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 3hky s GLY 216 CO 0.02 0.16 0.35 -0.11 0.00 0.00 0.00 173.10 173.53 3hky s PHE 217 N -1.70 -0.21 0.15 1.90 -0.71 -0.40 -1.03 117.98 115.99 3hky s PHE 217 Ca -0.11 0.24 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 3hky s PHE 217 Cb -0.03 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 3hky s PHE 217 CO 0.03 -0.47 0.32 -1.54 -1.34 0.00 0.00 175.22 172.22 3hky s SER 218 N -1.63 6.37 -0.15 1.98 1.04 -1.26 -1.00 113.70 119.05 3hky s SER 218 Ca -0.10 0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 3hky s SER 218 Cb -0.03 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.15 3hky s SER 218 CO 0.02 0.04 -0.09 -0.47 0.98 0.00 0.00 173.24 173.71 3hky s TYR 219 N -1.74 1.84 -0.42 5.02 6.14 -1.06 -4.56 117.35 122.57 3hky s TYR 219 Ca 0.37 -1.06 -0.11 0.00 0.64 0.00 0.00 57.07 56.90 3hky s TYR 219 Cb -0.11 -1.40 0.06 0.00 0.42 0.00 0.00 41.96 40.93 3hky s TYR 219 CO 0.28 -0.61 0.29 0.34 0.64 0.00 0.00 175.55 176.49 3hky s ASP 220 N 1.59 5.81 0.24 4.32 2.15 -1.26 -4.21 116.67 125.31 3hky s ASP 220 Ca 0.03 -1.33 -0.30 0.00 0.43 0.00 0.00 52.55 51.38 3hky s ASP 220 Cb -0.14 -2.05 -0.09 0.00 -0.30 0.00 0.00 42.92 40.34 3hky s ASP 220 CO -0.09 -0.53 1.06 -0.89 -0.17 0.00 0.00 175.17 174.55 3hky s THR 221 N 1.52 3.72 -0.21 1.71 2.01 -1.26 -0.33 115.64 122.80 3hky s THR 221 Ca 0.03 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 3hky s THR 221 Cb -0.22 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.23 3hky s THR 221 CO 0.05 0.37 1.06 -0.60 -0.69 0.00 0.00 174.62 174.80 3hky s ARG 222 N -1.10 4.28 -1.07 4.92 3.52 -0.78 -4.22 118.95 124.50 3hky s ARG 222 Ca 0.45 1.40 -0.19 0.00 -0.13 0.00 0.00 55.73 57.25 3hky s ARG 222 Cb -0.30 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3hky s ARG 222 CO 0.37 -0.60 0.73 0.00 -0.81 0.00 0.00 175.30 174.99 3hky h PHE 224 N -1.60 0.40 -0.97 0.00 3.04 -1.97 -0.67 116.94 115.17 3hky h PHE 224 Ca -0.62 0.03 0.13 0.00 3.98 0.00 0.00 57.97 61.49 3hky h PHE 224 Cb 1.35 -0.10 -0.08 0.00 2.56 0.00 0.00 35.95 39.68 3hky h PHE 224 CO 0.31 0.14 0.61 -0.44 -2.02 0.00 0.00 178.31 176.91 3hky h ASP 225 N 0.42 0.82 1.04 0.41 5.19 -1.91 -0.54 116.42 121.86 3hky h ASP 225 Ca 0.26 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.68 3hky h ASP 225 Cb 0.27 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3hky h ASP 225 CO -0.24 0.42 -0.19 0.28 -3.12 0.00 0.00 179.24 176.38 3hky h SER 226 N 0.87 0.00 1.35 6.45 0.02 -1.43 -2.67 113.55 118.13 3hky h SER 226 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3hky h SER 226 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3hky h SER 226 CO -0.26 0.19 0.00 0.35 -1.14 0.00 0.00 176.83 175.98 3hky n THR 227 N -3.31 0.59 -2.57 -2.27 -2.24 -0.23 -4.76 114.28 99.49 3hky n THR 227 Ca 0.01 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3hky n THR 227 Cb 0.43 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 3hky n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hky s VAL 228 N -3.12 4.52 0.57 2.28 1.01 -1.09 -4.80 120.40 119.79 3hky s VAL 228 Ca 0.10 1.84 0.02 0.00 0.00 0.00 0.00 61.98 63.94 3hky s VAL 228 Cb 0.12 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3hky s VAL 228 CO 0.56 -0.13 0.80 0.42 0.00 0.00 0.00 175.10 176.75 3hky s THR 229 N 3.10 2.56 0.18 3.92 -4.23 -1.26 -4.00 115.64 115.92 3hky s THR 229 Ca 0.49 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 60.22 3hky s THR 229 Cb -0.18 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.81 3hky s THR 229 CO 0.11 0.00 1.59 -0.33 -0.54 0.00 0.00 174.62 175.45 3hky h GLU 230 N 0.01 0.98 -0.50 3.99 5.08 -1.87 -2.24 114.58 120.03 3hky h GLU 230 Ca -0.40 -0.39 0.08 0.00 -1.00 0.00 0.00 59.36 57.65 3hky h GLU 230 Cb 1.29 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 3hky h GLU 230 CO 0.49 1.06 0.11 1.03 -1.00 0.00 0.00 179.01 180.70 3hky h SER 231 N 0.86 0.01 -0.66 1.42 0.87 -1.96 -0.69 113.55 113.40 3hky h SER 231 Ca 0.12 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 3hky h SER 231 Cb 0.73 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 3hky h SER 231 CO 0.06 0.03 0.35 0.44 -0.53 0.00 0.00 176.83 177.19 3hky h ASP 232 N 0.24 0.51 0.07 6.23 3.32 -1.83 -0.00 116.42 124.96 3hky h ASP 232 Ca 0.25 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 3hky h ASP 232 Cb 0.34 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3hky h ASP 232 CO -0.32 0.33 -0.43 0.40 -1.72 0.00 0.00 179.24 177.49 3hky h ILE 233 N 0.65 1.31 -0.03 0.35 2.04 -0.83 -1.85 117.51 119.15 3hky h ILE 233 Ca 0.30 -1.61 -0.13 0.00 1.00 0.00 0.00 64.86 64.42 3hky h ILE 233 Cb 0.21 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3hky h ILE 233 CO -0.20 0.50 -0.60 0.03 0.00 0.00 0.00 178.15 177.88 3hky h ARG 234 N 0.37 0.11 -0.50 2.37 3.08 -0.78 -1.80 114.38 117.22 3hky h ARG 234 Ca 0.03 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3hky h ARG 234 Cb 0.91 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3hky h ARG 234 CO 0.08 0.67 -0.14 0.28 -1.07 0.00 0.00 179.97 179.79 3hky h VAL 235 N 0.08 1.27 -0.47 2.04 2.07 -0.77 -1.39 116.25 119.08 3hky h VAL 235 Ca -0.01 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3hky h VAL 235 Cb 1.08 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3hky h VAL 235 CO 0.08 0.45 0.26 -0.08 0.02 0.00 0.00 177.57 178.31 3hky h GLU 236 N 0.84 0.51 -1.01 1.57 4.81 -1.26 -2.13 114.58 117.92 3hky h GLU 236 Ca 0.12 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3hky h GLU 236 Cb 0.71 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3hky h GLU 236 CO 0.05 0.34 0.66 1.49 -0.73 0.00 0.00 179.01 180.82 3hky h GLU 237 N 0.53 1.25 -0.77 1.92 4.81 -1.07 -2.18 114.58 119.07 3hky h GLU 237 Ca 0.19 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3hky h GLU 237 Cb 0.04 -0.28 -0.05 0.00 0.63 0.00 0.00 28.75 29.09 3hky h GLU 237 CO -0.10 0.83 0.51 0.66 -0.73 0.00 0.00 179.01 180.17 3hky h SER 238 N 1.29 0.59 -0.07 1.04 4.64 -0.64 0.13 113.55 120.53 3hky h SER 238 Ca 0.40 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.69 3hky h SER 238 Cb -0.02 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hky h SER 238 CO -0.12 0.34 -0.12 0.40 -0.87 0.00 0.00 176.83 176.46 3hky h ILE 239 N 0.65 1.40 -0.99 0.95 2.04 -0.82 -3.13 117.51 117.61 3hky h ILE 239 Ca 0.36 -1.38 0.09 0.00 1.00 0.00 0.00 64.86 64.94 3hky h ILE 239 Cb 0.53 2.14 -0.08 0.00 -0.74 0.00 0.00 36.82 38.68 3hky h ILE 239 CO -0.14 0.38 0.62 1.88 0.00 0.00 0.00 178.15 180.90 3hky h TYR 240 N -0.26 1.14 0.00 1.37 0.05 -0.79 -1.86 116.97 116.62 3hky h TYR 240 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3hky h TYR 240 Cb 0.68 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3hky h TYR 240 CO 0.11 0.51 0.00 1.04 -1.05 0.00 0.00 178.16 178.77 3hky n GLN 241 N -4.58 0.00 0.10 4.88 1.13 0.37 -1.97 117.38 117.32 3hky n GLN 241 Ca 0.17 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.56 3hky n GLN 241 Cb 0.28 -1.51 0.45 0.00 0.11 0.00 0.00 30.24 29.57 3hky n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hky s ASP 244 N -2.78 6.95 0.01 0.00 2.15 0.28 -4.92 116.67 118.35 3hky s ASP 244 Ca 0.63 1.87 0.03 0.00 0.43 0.00 0.00 52.55 55.51 3hky s ASP 244 Cb -0.15 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 3hky s ASP 244 CO 0.36 -0.69 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.82 3hky s LEU 245 N 2.78 2.07 0.53 -1.34 1.43 -1.26 -1.12 118.68 121.77 3hky s LEU 245 Ca 0.58 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 3hky s LEU 245 Cb -0.26 -0.40 -0.06 0.00 0.03 0.00 0.00 46.19 45.50 3hky s LEU 245 CO 0.21 0.04 1.16 0.00 0.23 0.00 0.00 176.35 177.99 3hky n ALA 246 N 2.54 0.84 -0.29 4.21 0.00 -1.26 -4.79 120.51 121.76 3hky n ALA 246 Ca -0.15 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.45 3hky n ALA 246 Cb 0.57 -2.22 0.19 0.00 0.00 0.00 0.00 19.45 17.99 3hky n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hky h PRO 247 N 1.21 0.69 -0.38 0.00 0.11 -2.00 -0.88 132.00 130.75 3hky h PRO 247 Ca -0.49 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3hky h PRO 247 Cb 1.33 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hky h PRO 247 CO 0.55 0.45 -0.07 0.93 -0.21 0.00 0.00 178.00 179.66 3hky h GLU 248 N 0.71 0.64 -0.56 1.05 5.08 -1.99 -1.52 114.58 117.97 3hky h GLU 248 Ca 0.42 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3hky h GLU 248 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hky h GLU 248 CO -0.29 0.71 0.14 0.00 -1.00 0.00 0.00 179.01 178.56 3hky h ALA 249 N 1.33 0.74 -0.37 3.43 0.00 -1.63 0.23 119.26 122.99 3hky h ALA 249 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hky h ALA 249 Cb 0.48 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3hky h ALA 249 CO 0.03 0.45 0.15 0.00 0.00 0.00 0.00 179.25 179.87 3hky h ARG 250 N 0.81 0.31 -0.46 0.00 3.08 -0.78 -1.09 114.38 116.24 3hky h ARG 250 Ca 0.18 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3hky h ARG 250 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hky h ARG 250 CO 0.00 0.20 -0.08 0.37 -1.07 0.00 0.00 179.97 179.39 3hky h GLN 251 N 0.31 0.87 -0.93 0.04 5.75 -1.18 -1.64 115.11 118.33 3hky h GLN 251 Ca 0.17 -0.32 0.01 0.00 -0.15 0.00 0.00 58.65 58.35 3hky h GLN 251 Cb 0.12 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 3hky h GLN 251 CO -0.15 0.95 0.60 0.00 -2.65 0.00 0.00 178.83 177.58 3hky h ALA 252 N 0.89 1.31 -0.23 3.38 0.00 -0.71 0.22 119.26 124.13 3hky h ALA 252 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hky h ALA 252 Cb 0.62 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hky h ALA 252 CO 0.04 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.67 3hky h ILE 253 N 1.26 1.29 -0.14 0.00 2.04 -1.10 0.37 117.51 121.23 3hky h ILE 253 Ca 0.34 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3hky h ILE 253 Cb -0.12 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3hky h ILE 253 CO -0.07 0.33 -0.16 -0.09 0.00 0.00 0.00 178.15 178.16 3hky h ARG 254 N 0.17 -0.19 -0.60 2.37 9.65 -1.00 -0.17 114.38 124.61 3hky h ARG 254 Ca 0.06 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3hky h ARG 254 Cb 0.53 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 3hky h ARG 254 CO 0.02 -0.13 0.08 0.77 2.80 0.00 0.00 179.97 183.51 3hky h SER 255 N -0.20 0.98 -0.61 -3.80 0.02 -0.41 -2.57 113.55 106.96 3hky h SER 255 Ca 0.10 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 3hky h SER 255 Cb 0.34 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3hky h SER 255 CO -0.26 1.01 0.11 -0.07 -1.14 0.00 0.00 176.83 176.48 3hky h LEU 256 N 0.92 0.98 0.30 5.07 3.38 -0.21 0.31 115.31 126.05 3hky h LEU 256 Ca 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hky h LEU 256 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hky h LEU 256 CO 0.02 0.97 -0.24 0.74 0.09 0.00 0.00 178.44 180.01 3hky h THR 257 N 0.97 0.49 -0.02 0.22 2.02 -0.93 0.59 112.91 116.25 3hky h THR 257 Ca 0.20 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 3hky h THR 257 Cb 0.40 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3hky h THR 257 CO 0.01 0.00 -0.73 -0.33 0.37 0.00 0.00 175.52 174.83 3hky h GLU 258 N -0.55 0.15 0.00 6.66 4.39 -1.36 -1.87 114.58 122.00 3hky h GLU 258 Ca -0.02 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 3hky h GLU 258 Cb 0.49 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3hky h GLU 258 CO -0.02 0.82 -1.32 0.54 -1.16 0.00 0.00 179.01 177.86 3hky n ARG 259 N -3.74 0.62 0.10 2.33 1.74 0.09 -4.71 116.66 113.09 3hky n ARG 259 Ca -0.02 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hky n ARG 259 Cb 0.71 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3hky n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hky n LEU 260 N -2.62 0.49 -0.21 0.55 7.94 -0.17 -0.44 117.00 122.54 3hky n LEU 260 Ca -0.03 0.31 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 3hky n LEU 260 Cb 0.62 0.03 0.12 0.00 0.53 0.00 0.00 43.42 44.71 3hky n LEU 260 CO 0.42 -0.77 0.99 1.88 -1.11 0.00 0.00 177.39 178.80 3hky h TYR 261 N 0.00 1.06 0.00 1.96 0.05 -0.82 -2.47 116.97 116.75 3hky h TYR 261 Ca 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3hky h TYR 261 Cb 0.01 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.44 3hky h TYR 261 CO 0.00 0.85 0.00 0.44 -1.05 0.00 0.00 178.16 178.40 3hky n ILE 262 N -4.26 0.55 -0.16 -2.88 -5.35 -0.72 -4.64 119.36 101.91 3hky n ILE 262 Ca 0.05 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3hky n ILE 262 Cb 0.22 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 3hky n ILE 262 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hky n GLY 263 N 0.95 -0.16 0.00 3.28 0.00 -0.93 -4.03 105.19 104.31 3hky n GLY 263 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3hky n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 264 N -1.48 0.13 3.79 -0.02 0.00 -0.69 -4.11 105.19 102.82 3hky n GLY 264 Ca 0.00 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3hky n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hky s PRO 265 N -1.86 3.86 -0.11 1.61 0.04 -1.26 -0.94 135.00 136.34 3hky s PRO 265 Ca 0.00 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.54 3hky s PRO 265 Cb 0.00 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3hky s PRO 265 CO 0.00 -0.40 -0.12 -0.51 0.04 0.00 0.00 177.00 176.01 3hky s LEU 266 N -3.20 2.80 -0.04 -3.56 1.43 -0.37 -3.08 118.68 112.66 3hky s LEU 266 Ca 0.64 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3hky s LEU 266 Cb -0.21 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3hky s LEU 266 CO 0.25 0.23 -0.23 -0.89 0.23 0.00 0.00 176.35 175.94 3hky s THR 267 N -0.01 1.85 0.87 5.49 2.01 -0.25 -0.26 115.64 125.35 3hky s THR 267 Ca -0.03 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 3hky s THR 267 Cb -0.14 -1.56 0.15 0.00 0.01 0.00 0.00 72.50 70.96 3hky s THR 267 CO 0.04 0.52 1.21 0.54 -0.69 0.00 0.00 174.62 176.24 3hky s ASN 268 N -0.26 3.74 0.62 3.53 2.20 -0.60 -1.29 114.94 122.89 3hky s ASN 268 Ca 0.01 0.28 0.41 0.00 -0.94 0.00 0.00 52.86 52.61 3hky s ASN 268 Cb -0.12 -0.52 2.11 0.00 -2.00 0.00 0.00 41.25 40.72 3hky s ASN 268 CO 0.02 -2.32 2.24 0.77 -2.94 0.00 0.00 177.10 174.86 3hky h SER 269 N -1.25 0.00 -0.11 3.54 4.64 -1.78 -1.23 113.55 117.36 3hky h SER 269 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hky h SER 269 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hky h SER 269 CO 0.46 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.71 3hky n LYS 270 N -3.02 1.61 -1.00 4.77 5.02 -1.26 -4.93 118.16 119.35 3hky n LYS 270 Ca -0.02 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 3hky n LYS 270 Cb 0.12 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hky n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hky n GLY 271 N 1.10 0.52 3.83 0.72 0.00 -0.46 -5.05 105.19 105.85 3hky n GLY 271 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hky n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hky s GLN 272 N -0.06 4.11 -0.24 1.61 -0.21 -1.26 -4.81 119.66 118.80 3hky s GLN 272 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.36 55.81 3hky s GLN 272 Cb 0.00 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.26 3hky s GLN 272 CO 0.00 0.33 1.51 1.21 -2.12 0.00 0.00 175.29 176.21 3hky s ASN 273 N -1.90 6.50 0.05 5.90 3.04 -1.26 -1.55 114.94 125.73 3hky s ASN 273 Ca 0.46 1.52 0.16 0.00 0.04 0.00 0.00 52.86 55.04 3hky s ASN 273 Cb -0.14 -2.53 -0.14 0.00 -1.54 0.00 0.00 41.25 36.89 3hky s ASN 273 CO 0.20 -1.17 0.82 0.00 -3.04 0.00 0.00 177.10 173.90 3hky n GLY 275 N 1.41 -0.28 3.11 0.00 0.00 -1.21 -1.01 105.19 107.21 3hky n GLY 275 Ca -0.10 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3hky n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hky s TYR 276 N -3.94 -0.38 -0.15 1.61 5.04 -0.30 -1.24 117.35 118.00 3hky s TYR 276 Ca 0.00 0.88 -0.08 0.00 -2.44 0.00 0.00 57.07 55.43 3hky s TYR 276 Cb 0.00 0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.36 3hky s TYR 276 CO 0.00 -0.24 0.13 0.50 -1.34 0.00 0.00 175.55 174.60 3hky s ARG 277 N 1.15 3.70 -0.21 4.97 3.52 -0.11 -1.32 118.95 130.65 3hky s ARG 277 Ca -0.08 -0.17 0.17 0.00 -0.13 0.00 0.00 55.73 55.52 3hky s ARG 277 Cb -0.09 -3.26 0.46 0.00 -1.56 0.00 0.00 34.95 30.50 3hky s ARG 277 CO -0.08 0.60 1.16 0.54 -0.81 0.00 0.00 175.30 176.71 3hky n ARG 278 N 2.55 1.87 -2.45 5.12 1.74 -0.23 -1.70 116.66 123.57 3hky n ARG 278 Ca -0.19 -3.34 -0.04 0.00 -0.77 0.00 0.00 57.85 53.51 3hky n ARG 278 Cb 0.54 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3hky n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hky s ARG 280 N -2.30 4.26 0.04 0.00 6.06 -1.02 -4.44 118.95 121.55 3hky s ARG 280 Ca 0.09 2.25 -0.28 0.00 -2.50 0.00 0.00 55.73 55.29 3hky s ARG 280 Cb 0.00 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 31.78 3hky s ARG 280 CO 0.06 -0.53 0.87 0.00 -2.50 0.00 0.00 175.30 173.21 3hky s ALA 281 N 1.03 3.28 0.38 6.12 0.00 -1.26 -4.77 121.76 126.54 3hky s ALA 281 Ca 0.67 0.42 0.13 0.00 0.00 0.00 0.00 51.96 53.18 3hky s ALA 281 Cb -0.41 -3.16 0.76 0.00 0.00 0.00 0.00 23.12 20.31 3hky s ALA 281 CO 0.32 -0.05 1.85 0.66 0.00 0.00 0.00 175.76 178.54 3hky h SER 282 N 6.02 0.01 -1.75 0.00 4.64 -1.89 -3.36 113.55 117.21 3hky h SER 282 Ca -0.43 -0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.22 3hky h SER 282 Cb 1.21 -0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.94 3hky h SER 282 CO 0.73 0.34 0.07 0.61 -0.87 0.00 0.00 176.83 177.71 3hky n GLY 283 N -0.56 5.79 3.30 -0.77 0.00 0.12 -4.46 105.19 108.63 3hky n GLY 283 Ca -0.02 -2.64 -0.16 0.00 0.00 0.00 0.00 46.02 43.19 3hky n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hky s VAL 284 N -5.31 1.25 0.41 1.61 -7.23 -1.18 -4.34 120.40 105.60 3hky s VAL 284 Ca 0.50 -2.08 0.22 0.00 -1.81 0.00 0.00 61.98 58.80 3hky s VAL 284 Cb 0.41 -2.09 0.23 0.00 0.56 0.00 0.00 36.38 35.50 3hky s VAL 284 CO -0.29 -0.55 2.00 0.25 -0.31 0.00 0.00 175.10 176.21 3hky h LEU 285 N 2.61 0.00 -1.31 1.32 5.85 -1.81 -2.92 115.31 119.05 3hky h LEU 285 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3hky h LEU 285 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3hky h LEU 285 CO 0.64 0.18 0.00 0.35 -0.34 0.00 0.00 178.44 179.27 3hky n THR 286 N -3.88 0.22 -0.07 1.05 -2.24 -1.26 -4.43 114.28 103.67 3hky n THR 286 Ca -0.02 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 3hky n THR 286 Cb 0.27 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 3hky n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hky h THR 287 N 2.67 1.25 0.28 4.28 2.02 -1.81 0.22 112.91 121.82 3hky h THR 287 Ca 0.00 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3hky h THR 287 Cb 0.58 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3hky h THR 287 CO 0.00 0.27 -0.13 -1.28 0.37 0.00 0.00 175.52 174.74 3hky h SER 288 N 0.13 -0.32 -0.24 4.18 0.87 -1.77 -0.73 113.55 115.68 3hky h SER 288 Ca 0.06 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3hky h SER 288 Cb 0.40 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3hky h SER 288 CO 0.01 -0.04 0.12 0.00 -0.53 0.00 0.00 176.83 176.39 3hky h GLY 290 N 0.26 0.70 1.01 0.00 0.00 -0.58 -1.16 103.07 103.30 3hky h GLY 290 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3hky h GLY 290 CO -0.06 0.39 0.38 3.43 0.00 0.00 0.00 176.54 180.67 3hky h ASN 291 N 0.54 0.93 -0.52 0.19 2.35 -0.92 -1.13 115.58 117.02 3hky h ASN 291 Ca 0.14 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3hky h ASN 291 Cb 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3hky h ASN 291 CO -0.00 0.78 0.14 0.74 -1.65 0.00 0.00 177.43 177.44 3hky h THR 292 N 1.01 1.24 -0.53 2.81 2.02 -0.49 -0.94 112.91 118.03 3hky h THR 292 Ca 0.25 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3hky h THR 292 Cb 0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3hky h THR 292 CO -0.04 0.30 0.14 -0.07 0.37 0.00 0.00 175.52 176.22 3hky h LEU 293 N 0.71 0.80 -0.27 2.58 3.38 -1.12 -0.82 115.31 120.58 3hky h LEU 293 Ca 0.16 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3hky h LEU 293 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hky h LEU 293 CO -0.00 0.82 -0.29 0.74 0.09 0.00 0.00 178.44 179.80 3hky h THR 294 N 0.74 1.31 -0.19 0.22 2.02 -1.08 0.43 112.91 116.35 3hky h THR 294 Ca 0.17 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3hky h THR 294 Cb 0.33 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3hky h THR 294 CO 0.00 0.46 0.07 0.00 0.37 0.00 0.00 175.52 176.43 3hky h TYR 296 N 0.16 1.04 0.42 0.00 5.03 -1.06 0.49 116.97 123.05 3hky h TYR 296 Ca 0.06 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 3hky h TYR 296 Cb 0.18 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.12 3hky h TYR 296 CO -0.01 0.60 -0.20 1.25 -1.32 0.00 0.00 178.16 178.48 3hky h LEU 297 N 1.08 -0.47 -0.62 2.82 5.85 -0.85 -1.23 115.31 121.89 3hky h LEU 297 Ca 0.34 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3hky h LEU 297 Cb 0.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3hky h LEU 297 CO -0.12 -0.19 0.40 0.11 -0.34 0.00 0.00 178.44 178.31 3hky h LYS 298 N -0.77 0.79 -0.33 1.25 1.57 -1.26 -1.46 116.57 116.37 3hky h LYS 298 Ca -0.06 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3hky h LYS 298 Cb 0.53 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hky h LYS 298 CO 0.09 0.52 -0.40 0.00 -0.57 0.00 0.00 179.45 179.10 3hky h ALA 299 N 1.24 0.49 -0.57 3.86 0.00 -0.93 -0.03 119.26 123.32 3hky h ALA 299 Ca 0.23 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hky h ALA 299 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hky h ALA 299 CO -0.06 0.60 0.03 1.15 0.00 0.00 0.00 179.25 180.97 3hky h THR 300 N 0.64 1.26 -0.25 0.00 2.02 -1.12 -0.93 112.91 114.53 3hky h THR 300 Ca 0.04 -1.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.04 3hky h THR 300 Cb 0.99 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3hky h THR 300 CO 0.09 0.38 -0.37 0.00 0.37 0.00 0.00 175.52 175.99 3hky h ALA 301 N 1.14 0.89 -0.47 6.16 0.00 -1.12 -3.01 119.26 122.84 3hky h ALA 301 Ca 0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3hky h ALA 301 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hky h ALA 301 CO 0.02 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.68 3hky h ALA 302 N 1.13 0.67 -0.87 0.00 0.00 -0.67 -1.97 119.26 117.55 3hky h ALA 302 Ca 0.05 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3hky h ALA 302 Cb 0.86 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3hky h ALA 302 CO 0.07 0.66 0.57 0.00 0.00 0.00 0.00 179.25 180.55 3hky h ARG 304 N 1.03 0.67 -0.89 0.00 3.08 -1.36 -0.25 114.38 116.66 3hky h ARG 304 Ca 0.36 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hky h ARG 304 Cb 0.11 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3hky h ARG 304 CO -0.12 0.93 0.59 0.00 -1.07 0.00 0.00 179.97 180.30 3hky h ALA 305 N 0.73 1.36 0.00 0.04 0.00 -0.99 -2.45 119.26 117.95 3hky h ALA 305 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hky h ALA 305 Cb 0.77 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hky h ALA 305 CO 0.06 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3hky n ALA 306 N -2.40 2.15 -3.03 0.00 0.00 0.28 -4.92 120.51 112.60 3hky n ALA 306 Ca 0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 3hky n ALA 306 Cb 0.02 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.06 3hky n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hky n LYS 307 N -2.20 -4.88 -2.17 0.00 5.02 -0.17 -4.81 118.16 108.96 3hky n LYS 307 Ca 0.05 0.91 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 3hky n LYS 307 Cb 0.38 -5.77 -0.00 0.00 -0.02 0.00 0.00 35.03 29.62 3hky n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hky s LEU 308 N -6.69 4.01 -0.16 -0.35 1.43 -0.82 -5.00 118.68 111.09 3hky s LEU 308 Ca 0.31 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 55.75 3hky s LEU 308 Cb -0.14 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 3hky s LEU 308 CO 0.38 -1.00 0.04 -1.10 0.23 0.00 0.00 176.35 174.89 3hky s GLN 309 N -2.67 3.77 -1.21 1.70 -0.21 -1.26 -4.62 119.66 115.16 3hky s GLN 309 Ca 0.64 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.63 3hky s GLN 309 Cb -0.31 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.60 3hky s GLN 309 CO 0.38 0.34 1.01 -3.47 -2.12 0.00 0.00 175.29 171.44 3hky n ASP 310 N 3.29 -2.44 -4.74 5.90 2.03 -1.26 -1.46 116.55 117.86 3hky n ASP 310 Ca -0.17 -0.61 -0.41 0.00 0.52 0.00 0.00 54.79 54.12 3hky n ASP 310 Cb 0.53 -5.10 -0.04 0.00 -0.72 0.00 0.00 41.12 35.79 3hky n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hky s THR 312 N -0.57 1.50 0.20 0.00 2.01 0.77 -5.00 115.64 114.56 3hky s THR 312 Ca 0.47 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.85 3hky s THR 312 Cb -0.29 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3hky s THR 312 CO 0.36 0.44 -0.02 -0.04 -0.69 0.00 0.00 174.62 174.66 3hky s MET 313 N 0.49 2.31 -0.07 4.92 -1.94 -1.26 -0.39 119.30 123.36 3hky s MET 313 Ca -0.15 -1.21 -0.00 0.00 -1.71 0.00 0.00 55.69 52.61 3hky s MET 313 Cb -0.16 -2.27 0.02 0.00 2.01 0.00 0.00 34.83 34.43 3hky s MET 313 CO 0.06 0.43 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.29 3hky s LEU 314 N -3.11 1.00 -0.07 -0.03 2.96 -0.18 -4.19 118.68 115.07 3hky s LEU 314 Ca 0.28 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3hky s LEU 314 Cb -0.08 -0.55 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3hky s LEU 314 CO 0.18 -0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3hky s VAL 315 N 1.52 1.53 -0.30 1.68 1.01 0.29 -1.26 120.40 124.87 3hky s VAL 315 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3hky s VAL 315 Cb -0.13 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 35.01 3hky s VAL 315 CO -0.04 0.44 0.09 0.20 0.00 0.00 0.00 175.10 175.79 3hky s ASN 316 N 0.31 4.03 1.73 3.32 0.01 0.18 -0.77 114.94 123.75 3hky s ASN 316 Ca -0.11 -1.63 0.00 0.00 -0.71 0.00 0.00 52.86 50.41 3hky s ASN 316 Cb -0.15 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.59 3hky s ASN 316 CO 0.04 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 3hky n GLY 317 N 4.81 3.77 0.26 0.66 0.00 -1.26 -0.45 105.19 112.97 3hky n GLY 317 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3hky n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hky n ASP 318 N 6.11 0.80 -4.65 1.61 5.75 -1.26 -3.79 116.55 121.12 3hky n ASP 318 Ca 0.00 -1.38 -0.40 0.00 -0.01 0.00 0.00 54.79 53.01 3hky n ASP 318 Cb 0.00 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 3hky n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hky s ASP 319 N -1.84 6.58 -0.05 -1.12 2.15 0.41 -4.67 116.67 118.14 3hky s ASP 319 Ca 0.38 0.70 0.02 0.00 0.43 0.00 0.00 52.55 54.08 3hky s ASP 319 Cb 0.19 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.51 3hky s ASP 319 CO 0.31 -0.26 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.72 3hky s LEU 320 N 1.99 1.65 -0.06 -1.34 2.96 -1.26 -0.64 118.68 121.98 3hky s LEU 320 Ca 0.25 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3hky s LEU 320 Cb -0.16 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 3hky s LEU 320 CO 0.09 0.04 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.25 3hky s VAL 321 N 0.52 2.27 -0.10 1.68 1.01 -0.39 -2.56 120.40 122.83 3hky s VAL 321 Ca -0.10 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.93 3hky s VAL 321 Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3hky s VAL 321 CO 0.02 0.57 -0.23 -0.69 0.00 0.00 0.00 175.10 174.77 3hky s VAL 322 N -0.19 1.99 -0.07 2.92 1.01 -0.17 -1.01 120.40 124.88 3hky s VAL 322 Ca -0.02 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3hky s VAL 322 Cb -0.14 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 3hky s VAL 322 CO 0.03 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 3hky s ILE 323 N 0.41 1.88 0.21 2.22 1.01 0.47 -1.27 121.20 126.13 3hky s ILE 323 Ca -0.18 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 3hky s ILE 323 Cb -0.18 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3hky s ILE 323 CO 0.08 0.52 0.33 0.00 0.00 0.00 0.00 174.94 175.87 3hky s GLU 325 N -2.38 4.54 0.47 0.00 0.41 -0.53 -0.88 118.70 120.33 3hky s GLU 325 Ca 0.15 1.18 -0.20 0.00 -0.41 0.00 0.00 54.97 55.70 3hky s GLU 325 Cb -0.01 -3.41 -0.09 0.00 -1.78 0.00 0.00 34.13 28.84 3hky s GLU 325 CO 0.11 0.14 1.01 0.45 -0.49 0.00 0.00 175.26 176.48 3hky s SER 326 N 0.42 6.50 -0.22 -0.19 0.15 0.19 -4.47 113.70 116.08 3hky s SER 326 Ca 0.43 1.85 0.13 0.00 0.70 0.00 0.00 55.95 59.06 3hky s SER 326 Cb -0.20 -2.55 0.45 0.00 -1.71 0.00 0.00 66.02 62.00 3hky s SER 326 CO 0.24 -0.67 1.19 0.00 1.20 0.00 0.00 173.24 175.20 3hky n ALA 327 N -0.91 3.89 0.00 5.45 0.00 -1.26 -4.89 120.51 122.79 3hky n ALA 327 Ca 0.09 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3hky n ALA 327 Cb 0.53 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3hky n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hky n GLY 328 N -0.71 -0.78 0.18 0.00 0.00 -1.26 -4.42 105.19 98.19 3hky n GLY 328 Ca 0.25 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 3hky n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hky h THR 329 N 0.00 1.29 -0.49 2.61 2.02 -1.99 -1.64 112.91 114.71 3hky h THR 329 Ca 0.00 -1.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3hky h THR 329 Cb 0.00 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3hky h THR 329 CO 0.00 0.36 0.02 1.56 0.37 0.00 0.00 175.52 177.83 3hky h GLN 330 N 0.27 0.85 0.00 6.66 4.20 -2.00 -2.66 115.11 122.43 3hky h GLN 330 Ca 0.06 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3hky h GLN 330 Cb 0.59 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3hky h GLN 330 CO 0.03 0.88 -0.47 0.39 -0.67 0.00 0.00 178.83 179.00 3hky n GLU 331 N -4.35 0.26 -0.09 1.46 1.02 -1.22 -2.40 120.64 115.32 3hky n GLU 331 Ca 0.01 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3hky n GLU 331 Cb 0.30 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 3hky n GLU 331 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hky h ASP 332 N 0.00 0.68 -0.28 1.62 3.32 -1.22 -2.41 116.42 118.13 3hky h ASP 332 Ca 0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3hky h ASP 332 Cb 0.72 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3hky h ASP 332 CO 0.00 1.00 -0.12 0.00 -1.72 0.00 0.00 179.24 178.40 3hky h ALA 333 N 0.70 1.07 -0.46 3.45 0.00 -1.39 -1.74 119.26 120.89 3hky h ALA 333 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3hky h ALA 333 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hky h ALA 333 CO 0.06 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 3hky h ALA 334 N 1.24 0.68 -0.19 0.00 0.00 -1.51 -2.74 119.26 116.75 3hky h ALA 334 Ca 0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3hky h ALA 334 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hky h ALA 334 CO 0.04 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.56 3hky h ALA 335 N 0.87 0.96 -0.11 0.00 0.00 -1.25 -2.34 119.26 117.38 3hky h ALA 335 Ca 0.10 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 3hky h ALA 335 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3hky h ALA 335 CO 0.07 0.62 -0.65 1.25 0.00 0.00 0.00 179.25 180.55 3hky h LEU 336 N 0.36 0.50 -1.08 0.00 5.85 -1.27 0.52 115.31 120.19 3hky h LEU 336 Ca 0.03 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3hky h LEU 336 Cb 0.86 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3hky h LEU 336 CO 0.07 1.02 -0.14 0.03 -0.34 0.00 0.00 178.44 179.08 3hky h ARG 337 N 0.32 0.49 -0.28 1.25 3.08 -1.43 -0.66 114.38 117.15 3hky h ARG 337 Ca -0.01 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 3hky h ARG 337 Cb 1.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3hky h ARG 337 CO 0.11 0.62 -0.42 0.00 -1.07 0.00 0.00 179.97 179.22 3hky h ALA 338 N 1.41 0.73 -0.29 0.04 0.00 -0.98 -0.54 119.26 119.63 3hky h ALA 338 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3hky h ALA 338 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hky h ALA 338 CO 0.03 0.66 0.10 0.35 0.00 0.00 0.00 179.25 180.39 3hky h PHE 339 N 0.56 0.47 -0.43 0.00 3.04 -0.72 -1.79 116.94 118.08 3hky h PHE 339 Ca 0.04 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 3hky h PHE 339 Cb 0.96 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 3hky h PHE 339 CO 0.05 0.48 -0.02 1.15 -2.02 0.00 0.00 178.31 177.95 3hky h THR 340 N 0.31 1.23 -0.68 4.41 2.02 -1.00 -1.38 112.91 117.84 3hky h THR 340 Ca 0.09 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 3hky h THR 340 Cb 0.23 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3hky h THR 340 CO -0.00 0.34 0.14 -0.33 0.37 0.00 0.00 175.52 176.03 3hky h GLU 341 N 0.66 1.10 -0.12 6.66 5.08 -0.93 -1.03 114.58 126.00 3hky h GLU 341 Ca 0.13 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3hky h GLU 341 Cb 0.44 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hky h GLU 341 CO 0.02 0.99 -0.02 0.00 -1.00 0.00 0.00 179.01 179.00 3hky h ALA 342 N 1.10 0.16 -0.95 3.43 0.00 -1.05 -1.79 119.26 120.16 3hky h ALA 342 Ca 0.21 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hky h ALA 342 Cb 0.40 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3hky h ALA 342 CO 0.01 -0.12 0.59 0.52 0.00 0.00 0.00 179.25 180.25 3hky h MET 343 N -0.09 0.96 -0.76 0.00 2.86 -1.21 -0.88 114.93 115.82 3hky h MET 343 Ca 0.03 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3hky h MET 343 Cb 0.41 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3hky h MET 343 CO 0.01 0.64 0.27 1.15 1.06 0.00 0.00 176.91 180.04 3hky h THR 344 N 0.99 1.26 -0.66 2.22 2.02 -1.03 -1.39 112.91 116.32 3hky h THR 344 Ca 0.45 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3hky h THR 344 Cb 0.35 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3hky h THR 344 CO -0.23 0.35 0.38 0.03 0.37 0.00 0.00 175.52 176.42 3hky h ARG 345 N 1.12 0.90 0.00 6.66 3.08 -0.38 -2.24 114.38 123.51 3hky h ARG 345 Ca 0.25 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hky h ARG 345 Cb 0.26 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hky h ARG 345 CO -0.01 0.64 0.00 0.66 -1.07 0.00 0.00 179.97 180.19 3hky n TYR 346 N -4.39 0.00 -2.48 3.04 4.01 -0.43 -1.26 117.16 115.65 3hky n TYR 346 Ca 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.76 3hky n TYR 346 Cb 0.08 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 3hky n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hky n SER 347 N -0.68 -5.12 -2.70 7.72 2.88 -0.84 -4.89 113.62 109.98 3hky n SER 347 Ca 0.08 -0.22 -0.07 0.00 -1.33 0.00 0.00 58.87 57.33 3hky n SER 347 Cb 0.04 -3.43 0.09 0.00 -0.75 0.00 0.00 64.21 60.16 3hky n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hky n ALA 348 N -1.95 -0.63 -1.37 -1.46 0.00 -0.60 -4.66 120.51 109.83 3hky n ALA 348 Ca -0.02 -1.17 -0.32 0.00 0.00 0.00 0.00 53.44 51.93 3hky n ALA 348 Cb 0.53 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.69 3hky n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hky s PRO 349 N 0.19 2.47 0.32 0.00 0.04 -1.26 -3.97 135.00 132.79 3hky s PRO 349 Ca 0.20 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 3hky s PRO 349 Cb 0.30 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.85 3hky s PRO 349 CO -0.08 -1.50 0.69 -1.25 0.04 0.00 0.00 177.00 174.90 3hky s PRO 350 N -4.39 3.88 0.00 0.56 0.04 -1.26 -1.86 135.00 131.97 3hky s PRO 350 Ca 0.65 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3hky s PRO 350 Cb -0.20 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3hky s PRO 350 CO 0.48 0.15 0.04 0.41 0.04 0.00 0.00 177.00 178.12 3hky n GLY 351 N -0.57 0.14 3.75 0.56 0.00 0.55 -4.50 105.19 105.12 3hky n GLY 351 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3hky n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hky s ASP 352 N -1.38 7.33 0.30 1.61 1.01 -1.26 -4.97 116.67 119.31 3hky s ASP 352 Ca 0.00 1.59 -0.30 0.00 0.71 0.00 0.00 52.55 54.55 3hky s ASP 352 Cb 0.00 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 3hky s ASP 352 CO 0.00 0.03 1.55 -2.84 0.21 0.00 0.00 175.17 174.13 3hky s PRO 353 N -0.26 4.14 0.56 8.23 0.02 -1.26 -4.57 135.00 141.86 3hky s PRO 353 Ca 0.40 2.54 -0.19 0.00 0.02 0.00 0.00 61.00 63.77 3hky s PRO 353 Cb -0.22 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3hky s PRO 353 CO 0.26 -0.58 1.14 -1.25 -0.33 0.00 0.00 177.00 176.23 3hky s PRO 354 N -0.74 3.27 -0.09 5.54 0.04 -1.26 -5.03 135.00 136.73 3hky s PRO 354 Ca 0.61 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.34 3hky s PRO 354 Cb -0.47 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 3hky s PRO 354 CO 0.50 -0.92 -0.23 -0.65 0.04 0.00 0.00 177.00 175.74 3hky s GLN 355 N -3.31 2.85 0.57 4.56 -1.52 -1.26 -5.00 119.66 116.55 3hky s GLN 355 Ca 0.73 -0.84 -0.19 0.00 -1.95 0.00 0.00 55.36 53.12 3hky s GLN 355 Cb -0.25 -2.19 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 3hky s GLN 355 CO 0.28 0.19 1.18 -2.14 -0.25 0.00 0.00 175.29 174.56 3hky s PRO 356 N 0.31 3.11 -0.04 2.91 0.02 -1.26 -4.53 135.00 135.51 3hky s PRO 356 Ca -0.17 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.60 3hky s PRO 356 Cb -0.17 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3hky s PRO 356 CO 0.08 -1.08 0.10 -2.00 -0.33 0.00 0.00 177.00 173.77 3hky s GLU 357 N -3.29 0.07 -0.02 5.54 2.56 -0.20 -4.96 118.70 118.40 3hky s GLU 357 Ca 0.76 0.24 0.07 0.00 0.00 0.00 0.00 54.97 56.04 3hky s GLU 357 Cb -0.28 -0.10 0.20 0.00 2.00 0.00 0.00 34.13 35.94 3hky s GLU 357 CO 0.31 -0.11 1.16 0.66 -0.56 0.00 0.00 175.26 176.72 3hky n TYR 358 N 3.75 0.28 -4.13 5.30 4.02 -1.26 -1.12 117.16 123.99 3hky n TYR 358 Ca -0.21 -0.57 -0.24 0.00 -0.01 0.00 0.00 57.90 56.87 3hky n TYR 358 Cb 0.54 -0.07 -0.17 0.00 -0.02 0.00 0.00 39.34 39.63 3hky n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hky s ASP 359 N -1.21 1.70 0.31 7.72 -1.08 -1.26 -5.01 116.67 117.84 3hky s ASP 359 Ca 0.16 -0.23 0.01 0.00 -0.52 0.00 0.00 52.55 51.97 3hky s ASP 359 Cb 0.10 -0.69 0.51 0.00 -1.46 0.00 0.00 42.92 41.38 3hky s ASP 359 CO 0.08 -0.07 1.88 0.25 0.52 0.00 0.00 175.17 177.82 3hky h LEU 360 N 7.64 0.69 -1.83 -1.34 5.85 -1.97 -2.42 115.31 121.94 3hky h LEU 360 Ca -0.30 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hky h LEU 360 Cb 1.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hky h LEU 360 CO 0.42 0.66 0.00 -0.33 -0.34 0.00 0.00 178.44 178.84 3hky h GLU 361 N 0.73 0.00 0.00 1.25 5.08 -1.97 -2.72 114.58 116.96 3hky h GLU 361 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hky h GLU 361 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hky h GLU 361 CO -0.01 0.00 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.53 3hky h LEU 362 N 0.00 0.00 -9.43 1.33 4.07 -1.74 -3.41 115.31 106.13 3hky h LEU 362 Ca 0.00 -0.12 -0.55 0.00 0.08 0.00 0.00 57.88 57.29 3hky h LEU 362 Cb 0.24 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 3hky h LEU 362 CO 0.00 0.06 0.23 -0.63 -1.08 0.00 0.00 178.44 177.02 3hky s ILE 363 N -3.15 4.87 -0.14 1.22 1.01 -1.02 -5.05 121.20 118.93 3hky s ILE 363 Ca 0.08 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.48 3hky s ILE 363 Cb 0.13 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3hky s ILE 363 CO 0.68 0.25 -0.12 -0.89 0.00 0.00 0.00 174.94 174.86 3hky s THR 364 N 0.62 3.09 -0.06 2.92 2.01 -1.26 -4.42 115.64 118.54 3hky s THR 364 Ca 0.44 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 3hky s THR 364 Cb -0.20 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.02 3hky s THR 364 CO 0.24 0.52 0.22 -0.94 -0.69 0.00 0.00 174.62 173.96 3hky s SER 365 N 0.46 -0.18 -1.47 3.53 1.04 0.64 -4.75 113.70 112.97 3hky s SER 365 Ca -0.09 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.62 3hky s SER 365 Cb -0.16 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3hky s SER 365 CO 0.04 -0.18 0.23 0.00 0.98 0.00 0.00 173.24 174.31 3hky n SER 367 N -2.93 -2.48 -4.34 0.00 7.64 -1.26 -4.95 113.62 105.31 3hky n SER 367 Ca -0.32 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.33 3hky n SER 367 Cb 0.69 -2.21 -0.12 0.00 -1.01 0.00 0.00 64.21 61.57 3hky n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hky s SER 368 N -2.15 2.80 0.12 6.43 0.01 -0.09 -4.51 113.70 116.30 3hky s SER 368 Ca 0.00 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.49 3hky s SER 368 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3hky s SER 368 CO 0.00 0.02 -0.10 0.54 0.41 0.00 0.00 173.24 174.11 3hky s ASN 369 N -2.45 1.59 0.21 2.44 4.22 -0.00 -0.26 114.94 120.69 3hky s ASN 369 Ca 0.14 -0.89 -0.30 0.00 -2.14 0.00 0.00 52.86 49.67 3hky s ASN 369 Cb -0.07 0.00 -0.08 0.00 1.28 0.00 0.00 41.25 42.37 3hky s ASN 369 CO 0.07 -0.29 1.10 -0.69 -2.04 0.00 0.00 177.10 175.24 3hky s VAL 370 N -2.77 3.74 0.24 3.54 1.01 -1.26 -0.93 120.40 123.96 3hky s VAL 370 Ca 0.10 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3hky s VAL 370 Cb -0.01 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3hky s VAL 370 CO 0.00 0.31 0.17 -0.55 0.00 0.00 0.00 175.10 175.04 3hky s SER 371 N -0.40 0.57 -0.02 3.32 0.15 0.37 -4.36 113.70 113.33 3hky s SER 371 Ca 0.47 -1.49 0.04 0.00 0.70 0.00 0.00 55.95 55.67 3hky s SER 371 Cb -0.30 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.43 3hky s SER 371 CO 0.37 -0.90 -0.13 -0.69 1.20 0.00 0.00 173.24 173.08 3hky s VAL 372 N -3.96 1.10 0.21 4.45 1.01 -1.26 -1.54 120.40 120.40 3hky s VAL 372 Ca 0.39 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3hky s VAL 372 Cb 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3hky s VAL 372 CO 0.16 0.32 0.12 0.00 0.00 0.00 0.00 175.10 175.71 3hky n ALA 373 N 2.95 0.37 -2.47 5.51 0.00 -0.51 -3.52 120.51 122.84 3hky n ALA 373 Ca -0.16 -1.13 -0.26 0.00 0.00 0.00 0.00 53.44 51.89 3hky n ALA 373 Cb 0.54 0.85 -0.15 0.00 0.00 0.00 0.00 19.45 20.69 3hky n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hky s HIS 374 N -2.61 1.79 1.21 0.00 3.76 0.89 -0.50 115.29 119.82 3hky s HIS 374 Ca 0.18 -0.36 -0.20 0.00 -0.15 0.00 0.00 55.06 54.53 3hky s HIS 374 Cb 0.01 -1.10 0.29 0.00 1.11 0.00 0.00 32.58 32.89 3hky s HIS 374 CO 0.12 0.04 1.14 0.34 -0.85 0.00 0.00 174.74 175.53 3hky s ASP 375 N -0.86 0.89 0.35 1.40 -1.08 -0.02 -1.14 116.67 116.21 3hky s ASP 375 Ca 0.07 0.51 0.04 0.00 -0.52 0.00 0.00 52.55 52.65 3hky s ASP 375 Cb -0.08 -0.66 0.63 0.00 -1.46 0.00 0.00 42.92 41.35 3hky s ASP 375 CO 0.01 -4.13 1.91 0.00 0.52 0.00 0.00 175.17 173.48 3hky h ALA 376 N -2.59 1.43 -0.13 3.66 0.00 -1.90 -2.07 119.26 117.66 3hky h ALA 376 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3hky h ALA 376 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hky h ALA 376 CO 0.31 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.84 3hky n SER 377 N -4.33 1.24 0.00 0.00 3.41 -1.26 -4.94 113.62 107.75 3hky n SER 377 Ca 0.02 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3hky n SER 377 Cb 0.19 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3hky n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hky n GLY 378 N 1.03 1.56 3.77 5.00 0.00 -0.78 -5.05 105.19 110.72 3hky n GLY 378 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hky n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hky s LYS 379 N -0.78 4.27 0.21 1.61 2.20 -1.26 -4.49 119.74 121.50 3hky s LYS 379 Ca 0.00 1.93 -0.32 0.00 -0.36 0.00 0.00 55.97 57.21 3hky s LYS 379 Cb 0.00 -2.90 -0.14 0.00 -1.51 0.00 0.00 37.83 33.28 3hky s LYS 379 CO 0.00 -0.16 1.47 0.54 -0.36 0.00 0.00 175.35 176.84 3hky n ARG 380 N 0.53 2.06 -4.66 4.03 1.74 -1.26 -0.84 116.66 118.25 3hky n ARG 380 Ca 0.02 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.54 3hky n ARG 380 Cb 0.45 -2.44 -0.17 0.00 -1.02 0.00 0.00 32.46 29.29 3hky n ARG 380 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hky s VAL 381 N 0.31 1.72 0.09 1.55 1.01 0.34 -4.86 120.40 120.56 3hky s VAL 381 Ca 0.72 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 3hky s VAL 381 Cb -0.67 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 3hky s VAL 381 CO 0.45 0.48 0.53 -0.31 0.00 0.00 0.00 175.10 176.25 3hky s TYR 382 N 0.79 3.71 0.15 5.22 2.02 -1.26 -1.43 117.35 126.55 3hky s TYR 382 Ca -0.10 1.13 -0.14 0.00 -0.37 0.00 0.00 57.07 57.59 3hky s TYR 382 Cb -0.16 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 39.02 3hky s TYR 382 CO 0.01 0.54 0.39 1.52 -1.57 0.00 0.00 175.55 176.43 3hky s TYR 383 N -1.25 -0.03 -0.13 2.71 1.13 -0.59 -5.00 117.35 114.19 3hky s TYR 383 Ca 0.31 -0.32 -0.10 0.00 -1.41 0.00 0.00 57.07 55.56 3hky s TYR 383 Cb -0.17 0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.85 3hky s TYR 383 CO 0.18 -0.75 0.19 -0.51 -2.51 0.00 0.00 175.55 172.15 3hky s LEU 384 N -2.86 4.33 0.32 -3.49 1.43 -1.26 -0.48 118.68 116.67 3hky s LEU 384 Ca 0.07 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3hky s LEU 384 Cb 0.02 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3hky s LEU 384 CO -0.07 0.30 0.18 0.28 0.23 0.00 0.00 176.35 177.26 3hky s THR 385 N -0.46 0.29 0.21 5.49 -1.32 -0.11 -4.78 115.64 114.96 3hky s THR 385 Ca 0.14 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.49 3hky s THR 385 Cb -0.12 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3hky s THR 385 CO 0.04 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 172.89 3hky s ARG 386 N -3.75 1.40 0.06 7.08 1.70 -1.26 -0.82 118.95 123.36 3hky s ARG 386 Ca 0.35 -1.12 -0.32 0.00 -0.47 0.00 0.00 55.73 54.18 3hky s ARG 386 Cb 0.04 0.46 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3hky s ARG 386 CO 0.19 -0.57 1.86 -3.47 -1.08 0.00 0.00 175.30 172.23 3hky n ASP 387 N -0.33 3.87 0.00 -2.89 -0.08 -1.26 -4.88 116.55 110.98 3hky n ASP 387 Ca -0.06 0.97 0.10 0.00 -1.51 0.00 0.00 54.79 54.30 3hky n ASP 387 Cb 0.62 -1.49 0.61 0.00 2.34 0.00 0.00 41.12 43.20 3hky n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hky n PRO 388 N 6.14 0.91 0.24 -0.67 -0.04 -1.26 -4.37 135.00 135.95 3hky n PRO 388 Ca 0.19 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 3hky n PRO 388 Cb 0.36 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3hky n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hky h THR 389 N 0.00 0.56 0.10 0.52 2.02 -1.95 -0.22 112.91 113.95 3hky h THR 389 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3hky h THR 389 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3hky h THR 389 CO 0.00 0.03 -0.05 0.74 0.37 0.00 0.00 175.52 176.61 3hky h THR 390 N -0.69 1.04 -0.96 3.16 2.02 -1.96 -1.21 112.91 114.32 3hky h THR 390 Ca -0.06 -0.55 0.29 0.00 0.77 0.00 0.00 66.41 66.86 3hky h THR 390 Cb 0.50 1.39 -0.15 0.00 -1.74 0.00 0.00 68.15 68.15 3hky h THR 390 CO 0.10 0.13 0.42 -0.65 0.37 0.00 0.00 175.52 175.89 3hky h PRO 391 N -0.39 0.25 0.01 6.66 0.11 -1.81 -1.22 132.00 135.61 3hky h PRO 391 Ca -0.01 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.82 3hky h PRO 391 Cb 0.32 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.39 3hky h PRO 391 CO 0.02 0.17 -1.04 -0.07 -0.21 0.00 0.00 178.00 176.87 3hky h LEU 392 N 0.26 0.80 -0.53 2.35 3.38 -0.64 -1.88 115.31 119.06 3hky h LEU 392 Ca 0.66 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hky h LEU 392 Cb 1.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3hky h LEU 392 CO -0.64 1.46 0.34 0.00 0.09 0.00 0.00 178.44 179.68 3hky h ALA 393 N 0.49 0.68 -0.20 1.53 0.00 -0.76 -1.22 119.26 119.78 3hky h ALA 393 Ca -0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hky h ALA 393 Cb 1.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3hky h ALA 393 CO 0.20 0.07 -0.34 0.00 0.00 0.00 0.00 179.25 179.17 3hky h ARG 394 N 0.67 0.42 -0.63 0.00 3.08 -1.25 -1.64 114.38 115.04 3hky h ARG 394 Ca 0.21 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3hky h ARG 394 Cb -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hky h ARG 394 CO -0.07 0.71 0.10 0.00 -1.07 0.00 0.00 179.97 179.63 3hky h ALA 395 N 1.28 0.84 -0.54 0.04 0.00 -1.08 -0.95 119.26 118.85 3hky h ALA 395 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3hky h ALA 395 Cb 0.78 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hky h ALA 395 CO 0.06 0.60 0.26 0.00 0.00 0.00 0.00 179.25 180.17 3hky h ALA 396 N 1.03 0.70 -0.27 0.00 0.00 -0.84 -1.41 119.26 118.46 3hky h ALA 396 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hky h ALA 396 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hky h ALA 396 CO 0.01 0.26 0.13 2.35 0.00 0.00 0.00 179.25 182.01 3hky h TRP 397 N 0.73 0.39 0.00 0.00 2.91 -1.17 -1.92 115.95 116.89 3hky h TRP 397 Ca 0.19 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3hky h TRP 397 Cb 0.12 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3hky h TRP 397 CO -0.00 0.36 0.00 0.93 -1.03 0.00 0.00 178.44 178.70 3hky h GLU 398 N 0.31 0.00 0.06 2.65 5.08 -1.07 0.26 114.58 121.87 3hky h GLU 398 Ca 0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3hky h GLU 398 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hky h GLU 398 CO -0.01 0.00 -0.59 1.15 -1.00 0.00 0.00 179.01 178.56 3hky h THR 399 N 0.00 1.51 0.00 1.13 2.02 -0.83 -3.38 112.91 113.37 3hky h THR 399 Ca 0.00 -2.28 -0.18 0.00 0.77 0.00 0.00 66.41 64.73 3hky h THR 399 Cb 0.37 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.71 3hky h THR 399 CO 0.00 0.64 -0.84 0.00 0.37 0.00 0.00 175.52 175.69 3hky h ALA 400 N 0.18 0.50 -3.79 6.16 0.00 -0.68 -3.46 119.26 118.17 3hky h ALA 400 Ca -0.09 -0.76 -0.36 0.00 0.00 0.00 0.00 54.91 53.70 3hky h ALA 400 Cb 1.38 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.77 3hky h ALA 400 CO 0.11 1.05 -0.76 1.03 0.00 0.00 0.00 179.25 180.68 3hky s ARG 401 N -2.87 0.62 0.09 0.00 0.52 0.85 -4.96 118.95 113.20 3hky s ARG 401 Ca 0.01 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 3hky s ARG 401 Cb 0.10 -0.56 -0.07 0.00 0.52 0.00 0.00 34.95 34.93 3hky s ARG 401 CO 0.79 0.15 1.35 -1.58 0.02 0.00 0.00 175.30 176.03 3hky s HIS 402 N -0.49 3.24 0.08 -0.53 5.65 -1.26 -4.32 115.29 117.66 3hky s HIS 402 Ca 0.00 1.02 0.06 0.00 0.25 0.00 0.00 55.06 56.38 3hky s HIS 402 Cb -0.05 -3.62 -0.03 0.00 -1.18 0.00 0.00 32.58 27.70 3hky s HIS 402 CO 0.00 -2.14 -0.15 0.95 -0.65 0.00 0.00 174.74 172.75 3hky s THR 403 N 1.25 1.21 0.09 0.89 -4.23 -1.26 -5.07 115.64 108.51 3hky s THR 403 Ca 0.63 -1.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.58 3hky s THR 403 Cb -0.34 -1.17 -0.08 0.00 1.34 0.00 0.00 72.50 72.24 3hky s THR 403 CO 0.30 -0.22 1.56 1.55 -0.54 0.00 0.00 174.62 177.26 3hky h PRO 404 N 4.20 0.38 -5.89 3.99 0.13 -1.97 -3.43 132.00 129.41 3hky h PRO 404 Ca -0.41 -0.10 -0.67 0.00 -0.87 0.00 0.00 66.00 63.94 3hky h PRO 404 Cb 1.19 -0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 3hky h PRO 404 CO 0.41 0.52 -0.57 0.42 -0.23 0.00 0.00 178.00 178.55 3hky s ILE 405 N -5.17 4.73 -0.82 -3.56 -1.09 -1.26 -4.60 121.20 109.44 3hky s ILE 405 Ca -0.14 -0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 3hky s ILE 405 Cb 0.07 -3.05 0.21 0.00 -1.58 0.00 0.00 42.46 38.12 3hky s ILE 405 CO 0.73 0.56 0.71 0.20 -1.23 0.00 0.00 174.94 175.91 3hky s ASN 406 N -1.09 6.15 0.44 3.58 0.01 -0.58 -4.92 114.94 118.53 3hky s ASN 406 Ca 0.16 -3.12 0.15 0.00 -0.71 0.00 0.00 52.86 49.34 3hky s ASN 406 Cb -0.12 -2.02 1.07 0.00 0.41 0.00 0.00 41.25 40.59 3hky s ASN 406 CO 0.05 -0.37 1.98 0.77 -1.51 0.00 0.00 177.10 178.02 3hky h SER 407 N 6.95 0.33 -0.51 -1.22 4.64 -1.93 -1.10 113.55 120.71 3hky h SER 407 Ca 0.09 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3hky h SER 407 Cb 0.93 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 3hky h SER 407 CO 0.80 0.20 0.34 4.11 -0.87 0.00 0.00 176.83 181.40 3hky h TRP 408 N 0.36 0.51 0.05 4.77 5.08 -1.90 0.96 115.95 125.78 3hky h TRP 408 Ca 0.28 0.01 -0.27 0.00 1.08 0.00 0.00 58.89 59.99 3hky h TRP 408 Cb 0.60 -0.17 0.02 0.00 -3.00 0.00 0.00 29.16 26.61 3hky h TRP 408 CO -0.00 0.29 -1.10 1.25 -1.28 0.00 0.00 178.44 177.60 3hky h LEU 409 N 0.52 0.88 -1.15 0.11 5.85 -1.58 -1.37 115.31 118.57 3hky h LEU 409 Ca 0.22 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 3hky h LEU 409 Cb 0.20 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hky h LEU 409 CO -0.06 1.55 -0.08 1.23 -0.34 0.00 0.00 178.44 180.74 3hky h GLY 410 N 0.32 0.53 0.99 3.75 0.00 -1.39 -1.86 103.07 105.40 3hky h GLY 410 Ca -0.15 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3hky h GLY 410 CO 0.21 0.32 -0.19 3.43 0.00 0.00 0.00 176.54 180.31 3hky h ASN 411 N 0.46 0.79 -0.00 0.19 2.35 -0.65 -0.30 115.58 118.41 3hky h ASN 411 Ca 0.09 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 3hky h ASN 411 Cb 0.43 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3hky h ASN 411 CO 0.02 1.03 -0.05 0.40 -1.65 0.00 0.00 177.43 177.19 3hky h ILE 412 N 0.55 0.88 -0.25 2.81 2.04 -1.18 0.21 117.51 122.57 3hky h ILE 412 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 3hky h ILE 412 Cb 0.74 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3hky h ILE 412 CO 0.06 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.67 3hky h ILE 413 N -0.08 0.90 0.00 -0.67 2.04 -1.26 0.57 117.51 119.01 3hky h ILE 413 Ca 0.02 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 3hky h ILE 413 Cb 0.11 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3hky h ILE 413 CO -0.05 0.03 -0.90 0.24 0.00 0.00 0.00 178.15 177.47 3hky h MET 414 N 0.17 0.00 -0.08 2.37 2.86 -0.99 -3.34 114.93 115.92 3hky h MET 414 Ca 0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3hky h MET 414 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hky h MET 414 CO -0.14 0.44 -0.39 0.66 1.06 0.00 0.00 176.91 178.55 3hky n TYR 415 N -3.10 0.25 -0.34 -0.22 4.01 0.75 -4.88 117.16 113.63 3hky n TYR 415 Ca -0.03 -1.50 0.16 0.00 -0.16 0.00 0.00 57.90 56.37 3hky n TYR 415 Cb 0.79 -0.30 0.38 0.00 -0.31 0.00 0.00 39.34 39.89 3hky n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hky h ALA 416 N 0.97 1.82 0.00 -0.72 0.00 -1.01 -1.75 119.26 118.58 3hky h ALA 416 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hky h ALA 416 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hky h ALA 416 CO 0.09 -0.21 0.00 -2.30 0.00 0.00 0.00 179.25 176.83 3hky n PRO 417 N -4.75 0.18 -1.36 0.00 -0.02 -1.26 -4.39 135.00 123.40 3hky n PRO 417 Ca 0.24 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3hky n PRO 417 Cb 0.66 -1.80 0.08 0.00 -0.02 0.00 0.00 33.50 32.43 3hky n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hky s THR 418 N -3.21 3.20 0.11 3.45 -4.23 -0.66 -4.93 115.64 109.37 3hky s THR 418 Ca 0.07 0.44 -0.21 0.00 -1.18 0.00 0.00 61.69 60.81 3hky s THR 418 Cb 0.11 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.94 3hky s THR 418 CO 0.44 -0.46 1.76 0.25 -0.54 0.00 0.00 174.62 176.06 3hky h LEU 419 N -0.84 0.12 -0.25 4.79 5.85 -1.90 -2.83 115.31 120.25 3hky h LEU 419 Ca -0.44 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.07 3hky h LEU 419 Cb 1.24 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.25 3hky h LEU 419 CO 0.51 0.09 -0.74 4.11 -0.34 0.00 0.00 178.44 182.07 3hky h TRP 420 N 0.15 0.93 -0.62 1.25 5.08 -1.93 -2.23 115.95 118.59 3hky h TRP 420 Ca 0.05 -0.40 -0.01 0.00 1.08 0.00 0.00 58.89 59.60 3hky h TRP 420 Cb -0.01 -0.15 -0.03 0.00 -3.00 0.00 0.00 29.16 25.97 3hky h TRP 420 CO -0.08 1.21 0.34 0.00 -1.28 0.00 0.00 178.44 178.64 3hky h ALA 421 N 0.68 0.79 -0.02 0.11 0.00 -1.79 -1.91 119.26 117.12 3hky h ALA 421 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hky h ALA 421 Cb 1.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hky h ALA 421 CO 0.15 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 3hky h ARG 422 N 0.84 0.11 0.13 0.00 3.08 -1.50 -1.98 114.38 115.05 3hky h ARG 422 Ca 0.22 -0.09 -0.29 0.00 0.07 0.00 0.00 59.98 59.89 3hky h ARG 422 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hky h ARG 422 CO -0.04 0.75 -1.36 0.52 -1.07 0.00 0.00 179.97 178.78 3hky h MET 423 N -0.51 0.28 0.00 0.04 2.86 -1.46 -3.35 114.93 112.78 3hky h MET 423 Ca -0.01 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 3hky h MET 423 Cb 0.78 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 3hky h MET 423 CO 0.02 1.19 -1.02 -0.89 1.06 0.00 0.00 176.91 177.27 3hky n ILE 424 N -3.51 1.50 -0.04 -1.22 5.41 -0.73 -4.18 119.36 116.58 3hky n ILE 424 Ca -0.12 0.13 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 3hky n ILE 424 Cb 1.04 -2.33 -0.06 0.00 -0.71 0.00 0.00 39.64 37.57 3hky n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hky h LEU 425 N -0.99 0.22 -0.43 1.39 3.38 -1.47 0.88 115.31 118.30 3hky h LEU 425 Ca -0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hky h LEU 425 Cb 1.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3hky h LEU 425 CO -0.01 0.47 0.16 0.24 0.09 0.00 0.00 178.44 179.40 3hky h MET 426 N -0.03 0.65 0.29 1.13 2.86 -1.51 -1.78 114.93 116.54 3hky h MET 426 Ca 0.04 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3hky h MET 426 Cb 0.36 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3hky h MET 426 CO 0.01 0.61 -0.14 1.15 1.06 0.00 0.00 176.91 179.59 3hky h THR 427 N 0.55 0.72 -0.37 2.22 2.02 -1.66 -1.68 112.91 114.72 3hky h THR 427 Ca 0.14 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3hky h THR 427 Cb 0.21 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3hky h THR 427 CO -0.01 0.02 0.19 -0.74 0.37 0.00 0.00 175.52 175.35 3hky h HIS 428 N -0.44 0.36 0.10 3.16 6.17 -0.74 -1.69 115.15 122.07 3hky h HIS 428 Ca -0.04 0.01 -0.29 0.00 0.71 0.00 0.00 60.37 60.77 3hky h HIS 428 Cb 0.33 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 30.15 3hky h HIS 428 CO -0.04 0.19 -1.39 0.74 0.71 0.00 0.00 177.93 178.13 3hky h PHE 429 N 0.39 0.40 -0.36 5.26 0.04 -1.34 -2.82 116.94 118.51 3hky h PHE 429 Ca 0.16 -0.29 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 3hky h PHE 429 Cb 0.05 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3hky h PHE 429 CO -0.09 1.29 -0.07 0.74 -0.60 0.00 0.00 178.31 179.58 3hky h PHE 430 N 0.06 0.65 -0.83 -0.55 -1.00 -1.30 -0.78 116.94 113.19 3hky h PHE 430 Ca -0.19 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.50 3hky h PHE 430 Cb 1.98 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 41.32 3hky h PHE 430 CO 0.05 0.67 0.53 1.03 -1.61 0.00 0.00 178.31 178.98 3hky h SER 431 N 0.57 0.98 -0.10 2.17 0.87 -1.30 -0.11 113.55 116.62 3hky h SER 431 Ca 0.11 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.42 3hky h SER 431 Cb 0.47 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3hky h SER 431 CO 0.02 0.73 -0.71 0.40 -0.53 0.00 0.00 176.83 176.74 3hky h ILE 432 N 1.14 1.32 -0.31 2.23 2.04 -1.23 -2.18 117.51 120.52 3hky h ILE 432 Ca 0.30 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 3hky h ILE 432 Cb -0.09 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3hky h ILE 432 CO -0.06 0.61 -0.13 -0.07 0.00 0.00 0.00 178.15 178.50 3hky h LEU 433 N 0.33 0.51 -0.25 1.44 4.07 -1.03 0.43 115.31 120.81 3hky h LEU 433 Ca -0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.73 3hky h LEU 433 Cb 1.36 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 3hky h LEU 433 CO 0.15 0.67 0.03 0.25 -1.08 0.00 0.00 178.44 178.46 3hky h LEU 434 N 0.49 0.41 0.04 1.67 5.85 -1.02 0.33 115.31 123.07 3hky h LEU 434 Ca 0.09 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hky h LEU 434 Cb 0.51 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hky h LEU 434 CO 0.03 0.58 -0.02 0.00 -0.34 0.00 0.00 178.44 178.69 3hky h ALA 435 N 0.84 -0.05 -0.00 1.25 0.00 -1.02 -2.87 119.26 117.41 3hky h ALA 435 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hky h ALA 435 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hky h ALA 435 CO 0.01 -0.51 -0.01 1.04 0.00 0.00 0.00 179.25 179.78 3hky n GLN 436 N -5.09 1.10 -3.69 0.00 6.02 0.11 -4.93 117.38 110.89 3hky n GLN 436 Ca -0.07 -0.25 -0.24 0.00 -0.01 0.00 0.00 57.00 56.42 3hky n GLN 436 Cb 0.06 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.86 3hky n GLN 436 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hky n GLU 437 N -0.73 -3.22 -0.12 -1.09 1.02 0.09 -4.93 120.64 111.65 3hky n GLU 437 Ca 0.21 0.56 0.04 0.00 -0.02 0.00 0.00 57.16 57.95 3hky n GLU 437 Cb 0.19 -4.81 0.10 0.00 -0.02 0.00 0.00 31.44 26.90 3hky n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hky n GLN 438 N -4.16 2.81 0.06 3.49 1.13 0.96 -4.76 117.38 116.90 3hky n GLN 438 Ca -0.21 -1.94 0.10 0.00 -1.94 0.00 0.00 57.00 53.01 3hky n GLN 438 Cb 0.65 -1.23 0.56 0.00 0.11 0.00 0.00 30.24 30.33 3hky n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hky h LEU 439 N 1.02 0.21 0.14 1.08 3.38 -1.92 -2.62 115.31 116.60 3hky h LEU 439 Ca 0.00 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3hky h LEU 439 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hky h LEU 439 CO 0.02 0.14 -1.48 -0.08 0.09 0.00 0.00 178.44 177.13 3hky h GLU 440 N 0.24 0.30 -6.35 1.13 4.81 -1.94 -3.29 114.58 109.47 3hky h GLU 440 Ca 0.16 -0.51 -0.65 0.00 -0.13 0.00 0.00 59.36 58.23 3hky h GLU 440 Cb 0.32 0.19 0.06 0.00 0.63 0.00 0.00 28.75 29.95 3hky h GLU 440 CO -0.03 1.19 0.56 1.17 -0.73 0.00 0.00 179.01 181.17 3hky n LYS 441 N -3.51 1.47 -2.83 1.92 4.81 -0.99 -4.75 118.16 114.29 3hky n LYS 441 Ca -0.15 0.53 -0.40 0.00 -0.87 0.00 0.00 58.31 57.42 3hky n LYS 441 Cb 1.05 -2.21 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 3hky n LYS 441 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hky s ALA 442 N 0.61 3.37 0.17 3.14 0.00 -1.26 -4.32 121.76 123.47 3hky s ALA 442 Ca 0.82 0.53 0.11 0.00 0.00 0.00 0.00 51.96 53.43 3hky s ALA 442 Cb -0.86 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 3hky s ALA 442 CO 0.44 0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 175.68 3hky s LEU 443 N -1.22 2.40 0.04 0.00 1.43 0.14 -4.83 118.68 116.65 3hky s LEU 443 Ca 0.40 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 3hky s LEU 443 Cb -0.25 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 3hky s LEU 443 CO 0.30 0.14 0.56 -1.81 0.23 0.00 0.00 176.35 175.76 3hky s ASP 444 N -2.47 7.01 0.36 2.29 1.01 -1.26 -0.08 116.67 123.53 3hky s ASP 444 Ca 0.18 1.20 -0.07 0.00 0.71 0.00 0.00 52.55 54.57 3hky s ASP 444 Cb -0.09 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.52 3hky s ASP 444 CO 0.09 0.23 0.58 0.00 0.21 0.00 0.00 175.17 176.28 3hky s GLN 446 N -2.83 1.77 -0.12 0.00 -0.21 -1.26 -0.57 119.66 116.44 3hky s GLN 446 Ca 0.25 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 3hky s GLN 446 Cb -0.02 -1.79 0.03 0.00 1.00 0.00 0.00 33.01 32.24 3hky s GLN 446 CO 0.17 0.48 -0.03 0.42 -2.12 0.00 0.00 175.29 174.21 3hky s ILE 447 N -0.64 0.77 -1.66 1.08 1.01 -0.43 -4.68 121.20 116.65 3hky s ILE 447 Ca 0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 3hky s ILE 447 Cb -0.09 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.59 3hky s ILE 447 CO 0.00 0.22 0.74 -1.22 0.00 0.00 0.00 174.94 174.68 3hky n TYR 448 N 5.01 -1.74 0.00 3.97 4.01 -1.26 -2.21 117.16 124.94 3hky n TYR 448 Ca -0.10 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 3hky n TYR 448 Cb 0.49 -3.07 0.00 0.00 -0.31 0.00 0.00 39.34 36.46 3hky n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hky n GLY 449 N -1.50 2.48 3.83 2.72 0.00 -1.26 -1.21 105.19 110.25 3hky n GLY 449 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3hky n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hky s ALA 450 N -2.41 3.61 0.05 4.61 0.00 -0.94 -4.22 121.76 122.47 3hky s ALA 450 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.63 3hky s ALA 450 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 3hky s ALA 450 CO 0.00 0.44 0.77 0.00 0.00 0.00 0.00 175.76 176.97 3hky s TYR 452 N -0.05 1.60 -0.29 0.00 1.51 0.26 -0.81 117.35 119.57 3hky s TYR 452 Ca 0.39 -0.49 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 3hky s TYR 452 Cb -0.21 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3hky s TYR 452 CO 0.23 0.21 0.12 0.45 -1.11 0.00 0.00 175.55 175.45 3hky s SER 453 N -2.37 5.37 -0.03 2.29 0.15 -1.11 -1.52 113.70 116.48 3hky s SER 453 Ca 0.10 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.31 3hky s SER 453 Cb -0.06 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.28 3hky s SER 453 CO 0.04 -0.16 -0.17 -0.63 1.20 0.00 0.00 173.24 173.52 3hky s ILE 454 N 1.59 1.39 -0.09 6.45 -1.09 0.88 -4.86 121.20 125.47 3hky s ILE 454 Ca 0.05 -0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 3hky s ILE 454 Cb -0.17 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 3hky s ILE 454 CO 0.05 0.40 0.50 -1.61 -1.23 0.00 0.00 174.94 173.04 3hky s GLU 455 N -0.22 4.30 0.57 2.79 2.02 -1.26 0.28 118.70 127.18 3hky s GLU 455 Ca 0.02 0.51 0.27 0.00 0.02 0.00 0.00 54.97 55.79 3hky s GLU 455 Cb -0.09 -3.40 1.65 0.00 0.10 0.00 0.00 34.13 32.39 3hky s GLU 455 CO 0.00 0.24 2.18 -1.35 0.02 0.00 0.00 175.26 176.35 3hky h PRO 456 N 6.34 0.00 0.00 0.39 0.11 -1.75 -1.74 132.00 135.35 3hky h PRO 456 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hky h PRO 456 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hky h PRO 456 CO 0.73 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 3hky n LEU 457 N -3.99 0.04 -1.09 2.35 4.77 -1.24 -2.43 117.00 115.40 3hky n LEU 457 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 3hky n LEU 457 Cb 0.18 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 41.03 3hky n LEU 457 CO 0.29 -0.27 0.73 0.47 -1.33 0.00 0.00 177.39 177.28 3hky n ASP 458 N -1.54 3.22 -0.22 -1.43 8.00 -0.65 -4.61 116.55 119.31 3hky n ASP 458 Ca 0.03 -1.96 -0.06 0.00 0.71 0.00 0.00 54.79 53.50 3hky n ASP 458 Cb 0.17 -0.32 0.08 0.00 -0.02 0.00 0.00 41.12 41.03 3hky n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hky h LEU 459 N 3.84 1.01 -0.87 0.64 3.38 -1.64 -2.54 115.31 119.14 3hky h LEU 459 Ca 0.00 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.84 3hky h LEU 459 Cb 0.86 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3hky h LEU 459 CO 0.00 0.99 0.53 -0.65 0.09 0.00 0.00 178.44 179.39 3hky h PRO 460 N 1.01 0.88 -0.31 1.13 0.11 -1.85 0.14 132.00 133.12 3hky h PRO 460 Ca 0.21 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 3hky h PRO 460 Cb 0.39 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3hky h PRO 460 CO 0.01 0.58 -0.15 1.96 -0.21 0.00 0.00 178.00 180.19 3hky h GLN 461 N 0.91 0.65 0.09 1.05 7.50 -1.85 -1.82 115.11 121.63 3hky h GLN 461 Ca 0.41 -0.28 -0.00 0.00 0.50 0.00 0.00 58.65 59.27 3hky h GLN 461 Cb 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3hky h GLN 461 CO -0.22 0.87 -0.04 0.82 -1.50 0.00 0.00 178.83 178.75 3hky h ILE 462 N 0.41 0.94 -0.85 2.54 2.04 -1.08 -1.92 117.51 119.58 3hky h ILE 462 Ca 0.07 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3hky h ILE 462 Cb 0.68 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3hky h ILE 462 CO 0.05 0.03 0.45 0.40 0.00 0.00 0.00 178.15 179.07 3hky h ILE 463 N -0.17 1.25 -0.59 -0.67 2.04 -0.72 -1.36 117.51 117.30 3hky h ILE 463 Ca -0.01 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3hky h ILE 463 Cb 0.14 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3hky h ILE 463 CO 0.02 0.29 0.32 -0.08 0.00 0.00 0.00 178.15 178.70 3hky h GLU 464 N 1.20 0.83 -0.39 2.37 4.81 -1.16 0.41 114.58 122.65 3hky h GLU 464 Ca 0.30 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3hky h GLU 464 Cb 0.06 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3hky h GLU 464 CO -0.04 0.64 -0.02 0.00 -0.73 0.00 0.00 179.01 178.85 3hky h ARG 465 N 0.80 0.70 0.00 1.92 2.47 -1.00 0.11 114.38 119.38 3hky h ARG 465 Ca 0.21 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 3hky h ARG 465 Cb 0.05 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3hky h ARG 465 CO -0.03 0.80 -0.66 -0.07 0.56 0.00 0.00 179.97 180.57 3hky h LEU 466 N 0.52 0.00 0.00 3.04 4.07 -1.10 -3.39 115.31 118.45 3hky h LEU 466 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3hky h LEU 466 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3hky h LEU 466 CO 0.02 0.66 -0.63 1.41 -1.08 0.00 0.00 178.44 178.82 3hky n HIS 467 N -3.50 0.00 0.00 1.13 8.25 0.12 -2.11 115.22 119.12 3hky n HIS 467 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hky n HIS 467 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 3hky n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hky n GLY 468 N 1.66 0.02 0.31 -1.41 0.00 0.39 -4.57 105.19 101.58 3hky n GLY 468 Ca 0.00 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.52 3hky n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hky h LEU 469 N 0.00 0.00 -1.85 0.99 5.85 -1.89 -2.41 115.31 116.00 3hky h LEU 469 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hky h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hky h LEU 469 CO 0.00 0.02 -0.13 0.77 -0.34 0.00 0.00 178.44 178.76 3hky h SER 470 N 0.00 0.00 -0.15 1.25 4.64 -1.95 -2.36 113.55 114.98 3hky h SER 470 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3hky h SER 470 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3hky h SER 470 CO 0.00 0.13 0.39 0.00 -0.87 0.00 0.00 176.83 176.48 3hky h ALA 471 N 1.87 1.64 -0.00 5.18 0.00 -1.67 0.25 119.26 126.52 3hky h ALA 471 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hky h ALA 471 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hky h ALA 471 CO 0.02 -0.46 -0.57 1.19 0.00 0.00 0.00 179.25 179.42 3hky n PHE 472 N -3.19 0.00 -0.13 0.00 3.72 -0.89 -4.40 117.46 112.58 3hky n PHE 472 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3hky n PHE 472 Cb 0.48 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3hky n PHE 472 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3hky n THR 473 N -1.49 0.00 -1.81 4.37 -2.24 0.80 -4.47 114.28 109.44 3hky n THR 473 Ca 0.05 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 3hky n THR 473 Cb 0.33 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.72 3hky n THR 473 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hky s LEU 474 N -0.23 3.98 0.39 3.22 1.43 -0.64 -3.81 118.68 123.02 3hky s LEU 474 Ca 0.00 2.83 -0.15 0.00 -1.03 0.00 0.00 54.13 55.78 3hky s LEU 474 Cb 0.00 -4.11 0.06 0.00 0.03 0.00 0.00 46.19 42.17 3hky s LEU 474 CO 0.00 -1.36 0.78 -1.38 0.23 0.00 0.00 176.35 174.63 3hky s HIS 475 N -1.26 0.18 -1.19 0.29 -3.43 -0.29 -4.95 115.29 104.64 3hky s HIS 475 Ca 0.66 -0.86 -0.04 0.00 -0.80 0.00 0.00 55.06 54.02 3hky s HIS 475 Cb -0.42 0.81 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 3hky s HIS 475 CO 0.52 -1.58 0.85 0.43 -2.00 0.00 0.00 174.74 172.95 3hky n SER 476 N -1.49 -3.33 -4.76 7.38 7.64 -1.26 -0.08 113.62 117.72 3hky n SER 476 Ca -0.08 -0.76 -0.33 0.00 1.01 0.00 0.00 58.87 58.70 3hky n SER 476 Cb 0.60 -4.56 0.06 0.00 -1.01 0.00 0.00 64.21 59.30 3hky n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hky s TYR 477 N -3.49 2.45 0.42 1.43 1.51 -1.26 -4.21 117.35 114.20 3hky s TYR 477 Ca 0.18 1.57 -0.25 0.00 -1.01 0.00 0.00 57.07 57.56 3hky s TYR 477 Cb -0.04 -3.25 -0.08 0.00 -0.11 0.00 0.00 41.96 38.48 3hky s TYR 477 CO 0.78 -1.95 1.25 -1.54 -1.11 0.00 0.00 175.55 172.98 3hky s SER 478 N -2.45 6.29 0.30 2.29 1.04 -1.23 -4.87 113.70 115.08 3hky s SER 478 Ca 0.69 2.54 0.02 0.00 0.48 0.00 0.00 55.95 59.68 3hky s SER 478 Cb -0.23 -2.63 0.58 0.00 0.10 0.00 0.00 66.02 63.85 3hky s SER 478 CO 0.43 -0.85 1.88 -0.65 0.98 0.00 0.00 173.24 175.02 3hky h PRO 479 N 2.52 0.94 -0.79 4.02 0.11 -1.96 -1.36 132.00 135.49 3hky h PRO 479 Ca -0.49 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hky h PRO 479 Cb 1.25 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3hky h PRO 479 CO 0.62 0.62 0.52 0.78 -0.21 0.00 0.00 178.00 180.33 3hky h GLY 480 N 0.97 1.11 1.21 -0.55 0.00 -1.98 0.21 103.07 104.04 3hky h GLY 480 Ca 0.44 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 3hky h GLY 480 CO -0.19 0.40 -0.52 -2.09 0.00 0.00 0.00 176.54 174.13 3hky h GLU 481 N 1.05 0.83 -0.28 4.80 4.57 -1.76 -1.39 114.58 122.41 3hky h GLU 481 Ca 0.29 -0.51 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 3hky h GLU 481 Cb -0.10 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3hky h GLU 481 CO -0.07 1.15 -0.31 0.82 -1.18 0.00 0.00 179.01 179.42 3hky h ILE 482 N 0.65 1.28 -0.17 2.32 2.04 -0.66 -0.87 117.51 122.10 3hky h ILE 482 Ca 0.02 -1.42 -0.17 0.00 1.00 0.00 0.00 64.86 64.29 3hky h ILE 482 Cb 1.12 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3hky h ILE 482 CO 0.11 0.46 -0.61 0.78 0.00 0.00 0.00 178.15 178.89 3hky h ASN 483 N 0.51 0.66 -0.53 1.72 -0.26 -0.57 -0.39 115.58 116.72 3hky h ASN 483 Ca 0.06 -0.38 -0.10 0.00 -0.56 0.00 0.00 56.30 55.32 3hky h ASN 483 Cb 0.79 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.84 3hky h ASN 483 CO 0.06 1.11 -0.07 -0.09 -1.06 0.00 0.00 177.43 177.39 3hky h ARG 484 N 0.44 0.98 -0.16 0.81 2.43 -1.04 -1.37 114.38 116.48 3hky h ARG 484 Ca -0.00 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.78 3hky h ARG 484 Cb 1.17 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3hky h ARG 484 CO 0.12 1.02 -0.05 0.28 -1.51 0.00 0.00 179.97 179.83 3hky h VAL 485 N 0.85 1.29 -0.77 0.20 2.07 -1.12 -2.64 116.25 116.14 3hky h VAL 485 Ca 0.14 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 3hky h VAL 485 Cb 0.62 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3hky h VAL 485 CO 0.04 0.30 0.31 0.00 0.02 0.00 0.00 177.57 178.24 3hky h ALA 486 N 0.70 1.09 -0.36 1.67 0.00 -1.04 -1.03 119.26 120.28 3hky h ALA 486 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3hky h ALA 486 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hky h ALA 486 CO 0.02 0.65 -0.08 0.66 0.00 0.00 0.00 179.25 180.49 3hky h SER 487 N 1.12 0.59 -0.16 0.00 4.64 -1.29 -2.29 113.55 116.17 3hky h SER 487 Ca 0.26 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3hky h SER 487 Cb 0.21 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3hky h SER 487 CO -0.02 0.72 -0.03 0.00 -0.87 0.00 0.00 176.83 176.63 3hky h LEU 489 N 0.03 0.00 0.00 0.00 3.38 -1.14 -1.60 115.31 115.98 3hky h LEU 489 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 3hky h LEU 489 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3hky h LEU 489 CO 0.01 0.10 -1.13 0.03 0.09 0.00 0.00 178.44 177.55 3hky h ARG 490 N 0.00 0.00 -0.12 1.13 3.08 -1.27 0.49 114.38 117.69 3hky h ARG 490 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3hky h ARG 490 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hky h ARG 490 CO 0.01 0.61 -0.33 0.87 -1.07 0.00 0.00 179.97 180.06 3hky h LYS 491 N 0.00 0.43 0.00 0.04 1.57 -0.89 -3.30 116.57 114.41 3hky h LYS 491 Ca -0.10 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3hky h LYS 491 Cb 1.69 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.05 3hky h LYS 491 CO 0.08 0.92 -0.09 1.28 -0.57 0.00 0.00 179.45 181.08 3hky n LEU 492 N -4.38 0.32 -2.19 2.94 4.77 -0.64 -4.91 117.00 112.91 3hky n LEU 492 Ca -0.07 0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3hky n LEU 492 Cb 0.50 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3hky n LEU 492 CO 0.43 -0.04 0.10 0.61 -1.33 0.00 0.00 177.39 177.16 3hky n GLY 493 N 1.44 0.11 3.78 -0.72 0.00 -0.54 -2.59 105.19 106.67 3hky n GLY 493 Ca 0.06 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3hky n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hky s VAL 494 N -3.18 4.83 0.77 1.61 1.01 0.16 -1.76 120.40 123.84 3hky s VAL 494 Ca 0.19 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 3hky s VAL 494 Cb -0.08 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3hky s VAL 494 CO 0.38 0.48 0.74 -2.65 0.00 0.00 0.00 175.10 174.06 3hky n PRO 495 N 2.29 0.25 -1.07 2.72 -0.02 -1.26 -4.61 135.00 133.29 3hky n PRO 495 Ca -0.08 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 3hky n PRO 495 Cb 0.51 -2.04 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 3hky n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hky s PRO 496 N -3.28 1.24 0.42 0.52 0.04 -1.26 -4.88 135.00 127.81 3hky s PRO 496 Ca 0.68 1.02 0.11 0.00 0.04 0.00 0.00 61.00 62.84 3hky s PRO 496 Cb -0.32 -1.79 0.91 0.00 0.04 0.00 0.00 34.50 33.34 3hky s PRO 496 CO 0.56 -2.31 1.99 -0.07 0.04 0.00 0.00 177.00 177.21 3hky h LEU 497 N -1.61 0.21 -1.08 -3.56 3.38 -2.00 -1.79 115.31 108.86 3hky h LEU 497 Ca -0.48 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 3hky h LEU 497 Cb 1.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3hky h LEU 497 CO 0.51 0.28 -0.01 0.03 0.09 0.00 0.00 178.44 179.34 3hky h ARG 498 N 0.22 0.64 -0.75 1.13 3.08 -2.00 -1.23 114.38 115.47 3hky h ARG 498 Ca 0.05 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3hky h ARG 498 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3hky h ARG 498 CO 0.01 0.66 0.35 1.15 -1.07 0.00 0.00 179.97 181.07 3hky h THR 499 N 0.60 1.24 -0.11 2.04 2.02 -1.68 -2.27 112.91 114.75 3hky h THR 499 Ca 0.12 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3hky h THR 499 Cb 0.39 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3hky h THR 499 CO 0.02 0.29 -0.16 -0.50 0.37 0.00 0.00 175.52 175.54 3hky h TRP 500 N 1.06 0.18 -0.38 3.16 4.06 -1.25 -0.83 115.95 121.97 3hky h TRP 500 Ca 0.26 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.18 3hky h TRP 500 Cb 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3hky h TRP 500 CO 0.01 0.33 0.21 -0.09 -3.56 0.00 0.00 178.44 175.34 3hky h ARG 501 N 0.17 0.53 -0.60 0.49 2.43 -0.71 0.15 114.38 116.83 3hky h ARG 501 Ca 0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hky h ARG 501 Cb 0.38 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3hky h ARG 501 CO 0.02 0.43 0.29 0.45 -1.51 0.00 0.00 179.97 179.65 3hky h HIS 502 N 0.48 0.86 -0.56 2.20 3.86 -0.88 -2.73 115.15 118.38 3hky h HIS 502 Ca 0.13 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3hky h HIS 502 Cb 0.05 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3hky h HIS 502 CO -0.03 0.66 0.03 0.00 0.86 0.00 0.00 177.93 179.45 3hky h ARG 503 N 0.81 0.94 -0.33 2.45 3.08 -0.88 -3.11 114.38 117.34 3hky h ARG 503 Ca 0.20 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3hky h ARG 503 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3hky h ARG 503 CO -0.03 0.91 -0.14 0.00 -1.07 0.00 0.00 179.97 179.64 3hky h ALA 504 N 1.16 1.14 -0.58 0.04 0.00 -0.54 -2.01 119.26 118.47 3hky h ALA 504 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hky h ALA 504 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hky h ALA 504 CO 0.02 0.54 0.36 0.00 0.00 0.00 0.00 179.25 180.17 3hky h ARG 505 N 0.54 0.78 -0.50 0.00 3.08 -1.42 0.17 114.38 117.02 3hky h ARG 505 Ca 0.09 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3hky h ARG 505 Cb 0.55 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3hky h ARG 505 CO 0.03 0.54 -0.08 1.03 -1.07 0.00 0.00 179.97 180.43 3hky h SER 506 N 0.78 0.94 -0.09 7.04 0.87 -1.45 -0.50 113.55 121.13 3hky h SER 506 Ca 0.21 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3hky h SER 506 Cb -0.05 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 3hky h SER 506 CO -0.04 1.06 0.06 0.58 -0.53 0.00 0.00 176.83 177.95 3hky h VAL 507 N 0.80 1.07 -0.19 2.23 2.07 -1.20 -2.67 116.25 118.36 3hky h VAL 507 Ca 0.13 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3hky h VAL 507 Cb 0.63 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3hky h VAL 507 CO 0.04 0.06 -0.01 -0.09 0.02 0.00 0.00 177.57 177.59 3hky h ARG 508 N 0.08 0.04 -0.34 1.57 2.43 -0.39 -0.89 114.38 116.88 3hky h ARG 508 Ca 0.03 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3hky h ARG 508 Cb 0.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hky h ARG 508 CO -0.01 0.03 0.05 0.00 -1.51 0.00 0.00 179.97 178.54 3hky h ALA 509 N 1.17 1.46 -0.25 2.80 0.00 -1.09 -1.26 119.26 122.08 3hky h ALA 509 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3hky h ALA 509 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hky h ALA 509 CO -0.16 0.39 -0.25 0.87 0.00 0.00 0.00 179.25 180.10 3hky h LYS 510 N 0.50 0.62 -0.37 0.00 1.57 -1.06 -1.80 116.57 116.03 3hky h LYS 510 Ca 0.11 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3hky h LYS 510 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hky h LYS 510 CO 0.00 0.93 0.12 -0.07 -0.57 0.00 0.00 179.45 179.86 3hky h LEU 511 N 0.34 0.54 -1.11 2.94 3.38 -0.86 -2.49 115.31 118.04 3hky h LEU 511 Ca 0.04 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hky h LEU 511 Cb 0.81 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3hky h LEU 511 CO 0.06 0.59 0.61 -0.07 0.09 0.00 0.00 178.44 179.72 3hky h LEU 512 N 0.45 1.02 -0.96 1.67 3.38 -1.30 -2.29 115.31 117.29 3hky h LEU 512 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hky h LEU 512 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hky h LEU 512 CO -0.00 0.72 0.00 0.77 0.09 0.00 0.00 178.44 180.01 3hky h SER 513 N 1.19 0.00 0.73 -0.43 4.64 -0.89 -2.05 113.55 116.75 3hky h SER 513 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hky h SER 513 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3hky h SER 513 CO -0.09 0.00 -0.93 0.00 -0.87 0.00 0.00 176.83 174.93 3hky n GLN 514 N -2.32 0.41 0.00 4.77 6.02 -0.89 -5.08 117.38 120.29 3hky n GLN 514 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3hky n GLN 514 Cb 0.19 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3hky n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hky n GLY 515 N 1.29 0.42 7.00 1.08 0.00 -0.77 -4.84 105.19 109.37 3hky n GLY 515 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3hky n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 516 N 0.00 1.01 0.24 -0.02 0.00 -1.26 -0.11 105.19 105.04 3hky n GLY 516 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 3hky n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hky h ARG 517 N 0.00 0.00 -0.36 1.61 3.08 -1.93 -2.89 114.38 113.89 3hky h ARG 517 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3hky h ARG 517 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3hky h ARG 517 CO 0.00 0.15 0.12 0.00 -1.07 0.00 0.00 179.97 179.18 3hky h ALA 518 N 1.85 0.42 -0.47 0.04 0.00 -1.71 -1.64 119.26 117.75 3hky h ALA 518 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hky h ALA 518 Cb 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hky h ALA 518 CO 0.02 -0.27 0.29 0.00 0.00 0.00 0.00 179.25 179.29 3hky h ALA 519 N 1.24 0.60 -0.96 0.00 0.00 -0.19 -1.68 119.26 118.27 3hky h ALA 519 Ca 0.17 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3hky h ALA 519 Cb 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3hky h ALA 519 CO -0.17 0.08 0.60 1.15 0.00 0.00 0.00 179.25 180.91 3hky h THR 520 N 0.64 1.00 -0.18 0.00 2.02 -1.48 0.44 112.91 115.34 3hky h THR 520 Ca 0.17 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3hky h THR 520 Cb -0.02 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.24 3hky h THR 520 CO -0.03 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.05 3hky h GLY 522 N 0.07 0.46 0.89 0.00 0.00 -0.13 0.18 103.07 104.53 3hky h GLY 522 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3hky h GLY 522 CO -0.14 0.17 -0.24 3.21 0.00 0.00 0.00 176.54 179.54 3hky h ARG 523 N 0.43 -0.58 0.02 4.80 3.08 -0.14 -3.13 114.38 118.86 3hky h ARG 523 Ca 0.12 0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 3hky h ARG 523 Cb -0.03 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hky h ARG 523 CO -0.02 -0.39 -0.64 1.88 -1.07 0.00 0.00 179.97 179.73 3hky h TYR 524 N -0.60 0.08 0.00 3.04 -1.99 -1.27 -3.21 116.97 113.01 3hky h TYR 524 Ca -0.04 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.54 3hky h TYR 524 Cb 0.50 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3hky h TYR 524 CO -0.09 1.25 -0.41 -0.07 -0.00 0.00 0.00 178.16 178.83 3hky h LEU 525 N -0.88 0.00 -2.97 3.88 3.38 -1.11 -3.24 115.31 114.36 3hky h LEU 525 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hky h LEU 525 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3hky h LEU 525 CO -0.06 0.41 -0.30 0.49 0.09 0.00 0.00 178.44 179.08 3hky n PHE 526 N -3.91 0.00 0.23 1.13 3.72 -1.18 -4.64 117.46 112.81 3hky n PHE 526 Ca -0.01 -1.21 0.08 0.00 -0.05 0.00 0.00 57.45 56.26 3hky n PHE 526 Cb 0.46 -0.20 0.58 0.00 -0.94 0.00 0.00 39.48 39.38 3hky n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hky h ASN 527 N 0.54 0.00 0.13 4.37 -1.24 -1.58 -2.21 115.58 115.60 3hky h ASN 527 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3hky h ASN 527 Cb 1.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.09 3hky h ASN 527 CO 0.00 0.19 -0.09 4.11 -1.29 0.00 0.00 177.43 180.36 3hky h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -3.19 115.95 116.69 3hky h TRP 528 Ca -0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 3hky h TRP 528 Cb 0.42 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 3hky h TRP 528 CO 0.00 0.09 -0.76 0.00 -1.28 0.00 0.00 178.44 176.49 3hky h ALA 529 N 1.91 0.67 -2.32 0.11 0.00 -1.75 -3.45 119.26 114.42 3hky h ALA 529 Ca -0.00 -0.69 -0.50 0.00 0.00 0.00 0.00 54.91 53.72 3hky h ALA 529 Cb 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hky h ALA 529 CO 0.01 0.95 0.01 0.14 0.00 0.00 0.00 179.25 180.37 3hky s VAL 530 N -3.14 4.94 -0.21 0.00 -7.23 -1.21 -4.87 120.40 108.68 3hky s VAL 530 Ca 0.00 0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 60.14 3hky s VAL 530 Cb 0.11 -3.81 -0.16 0.00 0.56 0.00 0.00 36.38 33.08 3hky s VAL 530 CO 0.78 -0.62 0.09 0.54 -0.31 0.00 0.00 175.10 175.58 3hky n ARG 531 N -1.69 0.56 -2.31 4.82 1.74 -1.26 -4.46 116.66 114.05 3hky n ARG 531 Ca -0.00 0.52 -0.35 0.00 -0.77 0.00 0.00 57.85 57.25 3hky n ARG 531 Cb 0.55 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3hky n ARG 531 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hky s THR 532 N -2.38 3.79 0.75 0.55 2.01 -1.26 -4.96 115.64 114.14 3hky s THR 532 Ca -0.29 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.39 3hky s THR 532 Cb 0.07 -4.80 0.04 0.00 0.01 0.00 0.00 72.50 67.82 3hky s THR 532 CO 0.54 -1.48 1.08 -0.54 -0.69 0.00 0.00 174.62 173.53 3hky s LYS 533 N 5.52 2.47 -0.03 4.92 1.02 -1.26 -5.05 119.74 127.34 3hky s LYS 533 Ca 0.61 0.82 0.02 0.00 0.02 0.00 0.00 55.97 57.43 3hky s LYS 533 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3hky s LYS 533 CO 0.07 -1.39 -0.04 -0.51 -0.92 0.00 0.00 175.35 172.55 3hky s LEU 534 N -5.69 3.30 -0.25 3.17 1.02 -1.26 -5.07 118.68 113.91 3hky s LEU 534 Ca 0.60 -0.05 -0.29 0.00 0.02 0.00 0.00 54.13 54.41 3hky s LEU 534 Cb -0.14 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 3hky s LEU 534 CO 0.55 0.31 1.63 -0.54 0.02 0.00 0.00 176.35 178.32 3hky s LYS 535 N -1.25 3.71 -0.09 1.70 1.02 -1.26 -4.98 119.74 118.59 3hky s LYS 535 Ca 0.16 1.58 -0.16 0.00 0.02 0.00 0.00 55.97 57.58 3hky s LYS 535 Cb -0.11 -4.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 3hky s LYS 535 CO 0.06 -1.40 0.40 -0.51 -0.92 0.00 0.00 175.35 172.98 3hky s LEU 536 N 5.47 4.34 0.29 3.17 1.43 -1.26 -5.08 118.68 127.03 3hky s LEU 536 Ca 0.72 0.78 0.10 0.00 -1.03 0.00 0.00 54.13 54.70 3hky s LEU 536 Cb -0.24 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3hky s LEU 536 CO 0.30 0.15 -0.08 0.42 0.23 0.00 0.00 176.35 177.37 3hky s THR 537 N -0.04 2.85 0.16 5.49 -4.23 -1.26 -5.08 115.64 113.53 3hky s THR 537 Ca 0.22 -2.13 -0.34 0.00 -1.18 0.00 0.00 61.69 58.27 3hky s THR 537 Cb -0.15 -2.62 -0.15 0.00 1.34 0.00 0.00 72.50 70.92 3hky s THR 537 CO 0.10 -0.34 1.40 -2.65 -0.54 0.00 0.00 174.62 172.59 3hky n PRO 538 N -0.80 1.70 -2.53 3.99 -0.02 -1.26 -4.92 135.00 131.16 3hky n PRO 538 Ca -0.05 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3hky n PRO 538 Cb 0.60 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3hky n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hky s ILE 539 N 0.36 4.24 0.19 4.25 1.01 -1.26 -4.96 121.20 125.03 3hky s ILE 539 Ca 0.76 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.97 3hky s ILE 539 Cb -0.77 -4.07 0.10 0.00 0.01 0.00 0.00 42.46 37.72 3hky s ILE 539 CO 0.46 0.17 1.78 -0.65 0.00 0.00 0.00 174.94 176.69 3hky h PRO 540 N 6.41 0.48 0.00 2.79 0.11 -2.03 -2.24 132.00 137.53 3hky h PRO 540 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hky h PRO 540 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hky h PRO 540 CO 0.77 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.88 3hky h ALA 541 N 1.31 1.00 0.13 -0.75 0.00 -2.00 -3.27 119.26 115.67 3hky h ALA 541 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hky h ALA 541 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hky h ALA 541 CO -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.78 3hky h ALA 542 N 2.11 -0.85 0.00 0.00 0.00 -1.69 -2.72 119.26 116.11 3hky h ALA 542 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hky h ALA 542 Cb 0.28 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hky h ALA 542 CO 0.00 -0.90 -0.01 0.66 0.00 0.00 0.00 179.25 179.00 3hky h SER 543 N -0.45 0.00 1.16 0.00 4.64 -1.74 -1.60 113.55 115.57 3hky h SER 543 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3hky h SER 543 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3hky h SER 543 CO -0.11 0.01 -0.31 1.56 -0.87 0.00 0.00 176.83 177.11 3hky h GLN 544 N 0.00 0.00 -6.55 4.77 1.08 -1.64 -3.46 115.11 109.31 3hky h GLN 544 Ca -0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3hky h GLN 544 Cb 0.11 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.59 3hky h GLN 544 CO 0.00 0.31 0.87 1.28 -0.95 0.00 0.00 178.83 180.34 3hky n LEU 545 N -3.33 3.37 -4.40 1.46 4.77 -0.60 -4.94 117.00 113.33 3hky n LEU 545 Ca 0.01 1.08 -0.45 0.00 -0.03 0.00 0.00 56.01 56.61 3hky n LEU 545 Cb 0.54 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 3hky n LEU 545 CO 0.36 -0.14 0.74 -0.62 -1.33 0.00 0.00 177.39 176.39 3hky s ASP 546 N 1.02 6.63 -0.02 -1.43 2.15 -1.26 -4.83 116.67 118.93 3hky s ASP 546 Ca 0.78 -2.20 0.15 0.00 0.43 0.00 0.00 52.55 51.71 3hky s ASP 546 Cb -0.63 -2.33 0.46 0.00 -0.30 0.00 0.00 42.92 40.13 3hky s ASP 546 CO 0.36 -0.91 1.38 0.18 -0.17 0.00 0.00 175.17 176.01 3hky n LEU 547 N 5.67 2.90 -4.70 -1.34 4.77 -1.26 -4.94 117.00 118.10 3hky n LEU 547 Ca 0.17 -1.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.27 3hky n LEU 547 Cb 0.48 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3hky n LEU 547 CO 0.45 0.67 1.00 -1.54 -1.33 0.00 0.00 177.39 176.64 3hky n SER 548 N 0.94 3.00 0.00 -1.43 3.41 -1.26 -1.22 113.62 117.06 3hky n SER 548 Ca 0.17 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 3hky n SER 548 Cb 0.48 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 3hky n SER 548 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hky n GLY 549 N 1.33 3.23 0.13 5.00 0.00 -1.26 -4.92 105.19 108.70 3hky n GLY 549 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hky n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hky h TRP 550 N 0.00 0.37 -2.15 1.61 4.06 -1.55 -3.36 115.95 114.94 3hky h TRP 550 Ca 0.00 -0.09 -0.59 0.00 2.06 0.00 0.00 58.89 60.27 3hky h TRP 550 Cb 0.00 -0.08 -0.41 0.00 -1.00 0.00 0.00 29.16 27.66 3hky h TRP 550 CO 0.00 0.65 -0.73 1.19 -3.56 0.00 0.00 178.44 175.99 3hky n PHE 551 N -4.64 2.64 0.01 0.49 3.72 -1.26 -4.79 117.46 113.63 3hky n PHE 551 Ca -0.06 -4.00 0.00 0.00 -0.05 0.00 0.00 57.45 53.34 3hky n PHE 551 Cb 0.30 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3hky n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hky n VAL 552 N 0.90 0.09 -4.02 -4.37 0.31 -1.04 -4.21 118.33 105.99 3hky n VAL 552 Ca 0.28 0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.55 3hky n VAL 552 Cb 0.44 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 3hky n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hky s ALA 553 N -2.00 0.29 0.12 3.52 0.00 -1.25 -3.99 121.76 118.44 3hky s ALA 553 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 3hky s ALA 553 Cb 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 3hky s ALA 553 CO 0.00 -0.54 0.45 0.20 0.00 0.00 0.00 175.76 175.87 3hky s GLY 554 N -2.97 2.35 -0.02 0.00 0.00 -1.26 -4.93 107.32 100.50 3hky s GLY 554 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3hky s GLY 554 CO -0.02 -0.11 0.88 -1.72 0.00 0.00 0.00 173.10 172.12 3hky n TYR 555 N 0.68 0.00 -1.70 1.90 4.01 -0.35 -4.63 117.16 117.07 3hky n TYR 555 Ca -0.06 -0.15 -0.44 0.00 -0.16 0.00 0.00 57.90 57.09 3hky n TYR 555 Cb 0.52 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.47 3hky n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hky n SER 556 N -0.21 3.63 0.00 7.72 2.88 -1.25 -0.03 113.62 126.36 3hky n SER 556 Ca 0.02 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3hky n SER 556 Cb 0.61 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3hky n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hky n GLY 557 N 3.76 1.85 0.19 0.46 0.00 -1.26 -4.32 105.19 105.87 3hky n GLY 557 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3hky n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hky n GLY 558 N -2.00 -0.76 2.93 -0.02 0.00 0.96 -3.11 105.19 103.19 3hky n GLY 558 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3hky n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hky n ASP 559 N -0.81 -2.91 -4.43 1.61 2.03 -1.26 -4.56 116.55 106.23 3hky n ASP 559 Ca 0.12 -0.46 -0.33 0.00 0.52 0.00 0.00 54.79 54.64 3hky n ASP 559 Cb 0.33 -4.04 -0.14 0.00 -0.72 0.00 0.00 41.12 36.55 3hky n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hky s ILE 560 N -3.27 3.19 -0.09 5.18 -1.09 -1.26 -4.35 121.20 119.51 3hky s ILE 560 Ca 0.12 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3hky s ILE 560 Cb -0.05 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 3hky s ILE 560 CO 0.56 0.54 -0.18 -0.47 -1.23 0.00 0.00 174.94 174.16 3hky s TYR 561 N -0.00 2.08 -0.19 3.97 5.04 0.07 -1.00 117.35 127.32 3hky s TYR 561 Ca -0.03 -0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 53.72 3hky s TYR 561 Cb -0.14 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.73 3hky s TYR 561 CO 0.04 -0.39 -0.12 -1.01 -1.34 0.00 0.00 175.55 172.72 3hky s HIS 562 N 0.61 2.85 0.00 4.97 3.76 0.01 -4.47 115.29 123.02 3hky s HIS 562 Ca -0.14 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 3hky s HIS 562 Cb -0.16 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3hky s HIS 562 CO 0.04 -0.58 0.00 0.43 -0.85 0.00 0.00 174.74 173.79