#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khu h MET 1 N 0.00 0.00 -6.59 4.33 1.85 -2.00 -3.47 114.93 109.05 3khu h MET 1 Ca 0.00 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.56 3khu h MET 1 Cb 0.00 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.04 3khu h MET 1 CO 0.00 0.90 0.57 0.12 -0.40 0.00 0.00 176.91 178.10 3khu s PHE 2 N -2.22 3.42 -0.14 1.39 5.36 -1.26 -5.02 117.98 119.51 3khu s PHE 2 Ca -0.20 1.34 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 3khu s PHE 2 Cb -0.00 -3.45 0.02 0.00 -0.34 0.00 0.00 43.02 39.25 3khu s PHE 2 CO 0.60 -1.33 -0.17 -2.00 -1.46 0.00 0.00 175.22 170.85 3khu s GLU 3 N 0.33 2.56 -0.25 10.12 2.12 -1.26 -4.61 118.70 127.71 3khu s GLU 3 Ca 0.56 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 3khu s GLU 3 Cb -0.32 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 31.87 3khu s GLU 3 CO 0.33 -0.14 0.99 0.42 -0.54 0.00 0.00 175.26 176.33 3khu s ILE 4 N 1.17 4.69 -0.05 -3.70 1.01 -1.26 -4.89 121.20 118.16 3khu s ILE 4 Ca -0.01 1.87 0.04 0.00 0.00 0.00 0.00 60.65 62.56 3khu s ILE 4 Cb -0.14 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 3khu s ILE 4 CO -0.07 -0.20 0.12 0.29 0.00 0.00 0.00 174.94 175.08 3khu n LYS 5 N 6.33 1.46 -4.03 2.79 5.02 -1.26 -4.88 118.16 123.59 3khu n LYS 5 Ca 0.10 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 3khu n LYS 5 Cb 0.47 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.31 3khu n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3khu s LYS 6 N -2.09 0.47 -0.06 1.97 1.02 -1.26 -1.47 119.74 118.32 3khu s LYS 6 Ca -0.01 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.01 3khu s LYS 6 Cb 0.03 -0.57 -0.00 0.00 -0.52 0.00 0.00 37.83 36.77 3khu s LYS 6 CO 0.18 -0.09 -0.19 0.42 -0.92 0.00 0.00 175.35 174.75 3khu s ILE 7 N 0.83 1.64 -0.11 2.17 1.01 0.81 -1.05 121.20 126.51 3khu s ILE 7 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3khu s ILE 7 Cb -0.12 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3khu s ILE 7 CO -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 174.94 175.27 3khu s ILE 10 N 1.19 4.40 0.00 0.00 1.01 0.14 -0.69 121.20 127.25 3khu s ILE 10 Ca -0.03 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3khu s ILE 10 Cb -0.17 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.80 3khu s ILE 10 CO -0.08 -0.98 0.00 0.61 0.00 0.00 0.00 174.94 174.49 3khu n GLY 11 N 5.01 2.38 2.76 6.18 0.00 0.54 -0.27 105.19 121.79 3khu n GLY 11 Ca 0.05 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 3khu n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khu n ALA 12 N 0.26 5.98 -2.10 4.61 0.00 -1.22 -4.20 120.51 123.84 3khu n ALA 12 Ca 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.22 3khu n ALA 12 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3khu n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khu n GLY 13 N -0.49 2.30 0.35 0.00 0.00 -1.26 -4.56 105.19 101.53 3khu n GLY 13 Ca 0.48 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.62 3khu n GLY 13 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3khu h TYR 14 N 0.00 0.85 0.00 1.61 -1.99 -1.94 -2.77 116.97 112.74 3khu h TYR 14 Ca 0.00 0.02 -0.25 0.00 2.00 0.00 0.00 58.73 60.50 3khu h TYR 14 Cb 0.00 -0.28 -0.04 0.00 2.00 0.00 0.00 36.73 38.41 3khu h TYR 14 CO 0.00 0.46 -1.47 0.28 -0.00 0.00 0.00 178.16 177.44 3khu n VAL 15 N -4.47 1.52 -0.10 -2.88 0.31 -1.26 -4.43 118.33 107.02 3khu n VAL 15 Ca 0.11 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 3khu n VAL 15 Cb 0.19 -2.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.04 3khu n VAL 15 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3khu h GLY 16 N -1.00 0.50 0.84 2.92 0.00 -1.73 -2.46 103.07 102.15 3khu h GLY 16 Ca -0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3khu h GLY 16 CO -0.23 0.28 -0.21 -1.33 0.00 0.00 0.00 176.54 175.04 3khu h GLY 17 N 0.33 -0.62 0.99 4.60 0.00 -1.66 -1.36 103.07 105.35 3khu h GLY 17 Ca 0.10 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 3khu h GLY 17 CO -0.00 -0.23 0.23 -2.55 0.00 0.00 0.00 176.54 173.99 3khu h PRO 18 N -0.76 0.86 0.03 4.80 0.11 -1.76 0.24 132.00 135.52 3khu h PRO 18 Ca -0.06 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 3khu h PRO 18 Cb 0.54 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3khu h PRO 18 CO 0.10 0.74 -0.01 1.15 -0.21 0.00 0.00 178.00 179.77 3khu h THR 19 N 0.80 1.09 0.00 -1.15 2.02 -1.44 -1.00 112.91 113.22 3khu h THR 19 Ca 0.19 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3khu h THR 19 Cb 0.20 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3khu h THR 19 CO -0.02 0.09 -0.40 0.00 0.37 0.00 0.00 175.52 175.57 3khu h SER 21 N 0.00 0.64 -0.62 0.00 0.02 -0.66 -1.87 113.55 111.06 3khu h SER 21 Ca -0.00 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 3khu h SER 21 Cb 0.77 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3khu h SER 21 CO 0.05 0.76 0.02 0.58 -1.14 0.00 0.00 176.83 177.10 3khu h VAL 22 N 0.50 1.27 -0.13 2.27 2.07 -0.86 -1.32 116.25 120.04 3khu h VAL 22 Ca 0.11 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.54 3khu h VAL 22 Cb 0.41 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3khu h VAL 22 CO 0.01 0.42 -0.22 0.40 0.02 0.00 0.00 177.57 178.20 3khu h ILE 23 N 0.99 0.46 -0.58 4.57 2.04 -1.17 -1.30 117.51 122.53 3khu h ILE 23 Ca 0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.08 3khu h ILE 23 Cb 0.55 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3khu h ILE 23 CO 0.03 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.50 3khu h ALA 24 N 0.70 0.75 -0.59 1.87 0.00 -1.12 0.11 119.26 120.98 3khu h ALA 24 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3khu h ALA 24 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3khu h ALA 24 CO -0.29 0.02 0.39 1.25 0.00 0.00 0.00 179.25 180.62 3khu h HIS 25 N 0.63 0.65 0.00 0.00 -0.00 -0.82 -2.76 115.15 112.85 3khu h HIS 25 Ca 0.25 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3khu h HIS 25 Cb 0.10 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3khu h HIS 25 CO -0.08 0.38 -1.14 -1.33 -0.00 0.00 0.00 177.93 175.76 3khu n MET 26 N -4.47 0.33 -3.59 5.26 2.00 -0.53 -4.58 117.12 111.55 3khu n MET 26 Ca 0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 57.70 57.48 3khu n MET 26 Cb 0.15 -1.59 -0.10 0.00 0.00 0.00 0.00 33.22 31.68 3khu n MET 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3khu h PRO 28 N 5.00 0.00 -0.00 0.00 0.11 -1.81 -1.47 132.00 133.83 3khu h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3khu h PRO 28 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3khu h PRO 28 CO 0.63 0.00 -0.12 -0.85 -0.21 0.00 0.00 178.00 177.45 3khu n GLU 29 N -4.03 0.52 -4.00 1.05 0.00 -1.26 -4.78 120.64 108.14 3khu n GLU 29 Ca -0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 57.16 56.64 3khu n GLU 29 Cb 0.19 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.03 3khu n GLU 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3khu s ILE 30 N -2.59 4.75 -0.19 3.84 1.01 -0.55 -4.92 121.20 122.54 3khu s ILE 30 Ca 0.26 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 3khu s ILE 30 Cb 0.20 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 3khu s ILE 30 CO 0.50 0.45 0.89 -0.60 0.00 0.00 0.00 174.94 176.18 3khu s ARG 31 N 0.46 4.27 -0.19 2.79 3.52 -0.54 -4.83 118.95 124.43 3khu s ARG 31 Ca 0.03 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 3khu s ARG 31 Cb -0.13 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 3khu s ARG 31 CO 0.01 -0.43 -0.17 0.08 -0.81 0.00 0.00 175.30 173.98 3khu s VAL 32 N 2.51 2.26 -0.25 7.11 1.01 0.55 -0.13 120.40 133.46 3khu s VAL 32 Ca 0.39 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3khu s VAL 32 Cb -0.16 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.26 3khu s VAL 32 CO 0.10 0.46 -0.11 -0.89 0.00 0.00 0.00 175.10 174.67 3khu s THR 33 N 1.30 2.38 -0.23 3.92 2.01 0.25 -0.86 115.64 124.41 3khu s THR 33 Ca 0.04 -1.34 -0.14 0.00 0.31 0.00 0.00 61.69 60.55 3khu s THR 33 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3khu s THR 33 CO -0.11 0.12 0.32 -0.69 -0.69 0.00 0.00 174.62 173.58 3khu s VAL 34 N 1.20 5.24 0.27 3.82 1.01 0.11 -0.96 120.40 131.08 3khu s VAL 34 Ca -0.04 0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.56 3khu s VAL 34 Cb -0.18 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3khu s VAL 34 CO -0.06 0.26 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 3khu s VAL 35 N 1.39 2.06 -0.18 2.92 -7.23 0.14 -1.59 120.40 117.90 3khu s VAL 35 Ca 0.15 -2.27 -0.28 0.00 -1.81 0.00 0.00 61.98 57.77 3khu s VAL 35 Cb -0.15 -2.30 0.10 0.00 0.56 0.00 0.00 36.38 34.59 3khu s VAL 35 CO 0.07 -0.41 0.85 -0.62 -0.31 0.00 0.00 175.10 174.69 3khu s ASP 36 N -3.45 -0.55 0.38 4.85 -1.08 -1.18 -0.34 116.67 115.29 3khu s ASP 36 Ca 0.28 0.81 0.14 0.00 -0.52 0.00 0.00 52.55 53.26 3khu s ASP 36 Cb -0.01 0.74 0.76 0.00 -1.46 0.00 0.00 42.92 42.95 3khu s ASP 36 CO 0.12 -0.36 1.83 -0.37 0.52 0.00 0.00 175.17 176.91 3khu h VAL 37 N 3.21 1.21 -2.36 1.11 -1.51 -1.92 -3.41 116.25 112.58 3khu h VAL 37 Ca -0.25 -1.25 -0.53 0.00 -1.23 0.00 0.00 66.70 63.43 3khu h VAL 37 Cb 1.16 1.69 -0.07 0.00 -2.13 0.00 0.00 31.29 31.93 3khu h VAL 37 CO 0.24 0.35 1.10 0.21 -1.23 0.00 0.00 177.57 178.24 3khu s ASN 38 N -6.86 6.04 0.18 4.19 3.84 -1.26 -4.88 114.94 116.19 3khu s ASN 38 Ca -0.03 -0.27 -0.13 0.00 0.21 0.00 0.00 52.86 52.64 3khu s ASN 38 Cb 0.14 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.37 3khu s ASN 38 CO 0.72 -1.90 1.84 -0.08 -2.79 0.00 0.00 177.10 174.89 3khu h GLU 39 N 10.79 0.78 -0.87 0.43 4.81 -2.00 -2.59 114.58 125.93 3khu h GLU 39 Ca -0.28 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 58.99 3khu h GLU 39 Cb 1.07 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 3khu h GLU 39 CO 1.26 0.53 0.53 1.03 -0.73 0.00 0.00 179.01 181.63 3khu h SER 40 N 0.80 0.79 -0.36 1.04 0.87 -1.98 -1.21 113.55 113.49 3khu h SER 40 Ca 0.21 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3khu h SER 40 Cb -0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3khu h SER 40 CO -0.04 0.47 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.48 3khu h ARG 41 N 0.90 0.75 -0.52 2.24 2.43 -1.90 -1.73 114.38 116.55 3khu h ARG 41 Ca 0.41 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3khu h ARG 41 Cb 0.31 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3khu h ARG 41 CO -0.22 0.93 0.33 0.82 -1.51 0.00 0.00 179.97 180.31 3khu h ILE 42 N 0.54 1.09 -0.70 1.20 1.08 -1.16 -1.30 117.51 118.25 3khu h ILE 42 Ca 0.08 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 3khu h ILE 42 Cb 0.69 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 3khu h ILE 42 CO 0.05 0.12 0.42 0.78 -0.69 0.00 0.00 178.15 178.83 3khu h ASN 43 N 0.65 0.66 -0.82 1.72 2.35 -1.13 -1.23 115.58 117.78 3khu h ASN 43 Ca 0.20 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3khu h ASN 43 Cb -0.02 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3khu h ASN 43 CO -0.07 0.44 0.35 0.00 -1.65 0.00 0.00 177.43 176.50 3khu h ALA 44 N 1.33 1.06 -0.17 -0.83 0.00 -0.80 -0.90 119.26 118.95 3khu h ALA 44 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3khu h ALA 44 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3khu h ALA 44 CO -0.15 0.66 0.00 -1.49 0.00 0.00 0.00 179.25 178.27 3khu h TRP 45 N 1.18 0.23 -0.28 0.00 4.06 -0.81 -1.96 115.95 118.37 3khu h TRP 45 Ca 0.28 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.22 3khu h TRP 45 Cb 0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3khu h TRP 45 CO 0.02 0.25 0.00 0.09 -3.56 0.00 0.00 178.44 175.24 3khu n ASN 46 N -4.40 1.52 -4.87 -3.49 3.02 -0.42 -4.92 115.26 101.69 3khu n ASN 46 Ca -0.00 -2.01 -0.27 0.00 -0.03 0.00 0.00 54.58 52.27 3khu n ASN 46 Cb 0.17 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3khu n ASN 46 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3khu s SER 47 N -0.98 4.57 0.05 6.41 1.04 -0.73 -5.04 113.70 119.02 3khu s SER 47 Ca 0.19 -1.26 0.28 0.00 0.48 0.00 0.00 55.95 55.63 3khu s SER 47 Cb 0.10 0.31 1.03 0.00 0.10 0.00 0.00 66.02 67.56 3khu s SER 47 CO 0.12 -1.01 1.81 -2.65 0.98 0.00 0.00 173.24 172.50 3khu n PRO 48 N -1.65 0.07 -3.76 4.02 -0.02 -1.26 -4.54 135.00 127.86 3khu n PRO 48 Ca -0.04 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 3khu n PRO 48 Cb 0.64 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.44 3khu n PRO 48 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3khu s THR 49 N -3.03 3.42 0.52 3.45 2.01 -1.26 -5.10 115.64 115.66 3khu s THR 49 Ca 0.13 -2.48 -0.22 0.00 0.31 0.00 0.00 61.69 59.43 3khu s THR 49 Cb 0.17 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3khu s THR 49 CO 0.57 -0.77 1.28 -0.76 -0.69 0.00 0.00 174.62 174.25 3khu s LEU 50 N 0.59 3.88 0.30 4.42 1.43 -1.26 -4.71 118.68 123.32 3khu s LEU 50 Ca 0.12 2.57 0.26 0.00 -1.03 0.00 0.00 54.13 56.05 3khu s LEU 50 Cb -0.22 -4.30 0.91 0.00 0.03 0.00 0.00 46.19 42.61 3khu s LEU 50 CO -0.04 -1.37 1.76 1.55 0.23 0.00 0.00 176.35 178.48 3khu h PRO 51 N 1.57 0.00 -5.24 1.29 0.13 -1.89 -3.41 132.00 124.45 3khu h PRO 51 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 3khu h PRO 51 Cb 1.28 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.13 3khu h PRO 51 CO 0.58 0.00 -0.77 0.42 -0.23 0.00 0.00 178.00 178.00 3khu s ILE 52 N -3.27 2.98 -0.32 -3.56 -1.09 -1.26 -5.10 121.20 109.57 3khu s ILE 52 Ca 0.06 -0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 57.63 3khu s ILE 52 Cb 0.10 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3khu s ILE 52 CO 0.51 0.51 0.55 -0.47 -1.23 0.00 0.00 174.94 174.81 3khu s TYR 53 N 0.62 3.20 -0.04 3.97 5.04 -1.26 -4.98 117.35 123.90 3khu s TYR 53 Ca -0.07 0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.90 3khu s TYR 53 Cb -0.15 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.26 3khu s TYR 53 CO 0.03 -0.48 0.08 -1.21 -1.34 0.00 0.00 175.55 172.62 3khu s GLU 54 N 2.45 0.05 0.20 4.97 0.41 -1.26 -4.84 118.70 120.67 3khu s GLU 54 Ca 0.21 0.21 -0.33 0.00 -0.41 0.00 0.00 54.97 54.65 3khu s GLU 54 Cb -0.15 -0.11 -0.14 0.00 -1.78 0.00 0.00 34.13 31.95 3khu s GLU 54 CO 0.12 -0.10 1.50 -2.30 -0.49 0.00 0.00 175.26 173.99 3khu n PRO 55 N 3.74 2.11 0.00 0.39 -0.02 -1.26 -1.92 135.00 138.03 3khu n PRO 55 Ca -0.21 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3khu n PRO 55 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3khu n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khu n GLY 56 N 2.81 2.54 0.17 -1.23 0.00 -1.26 -4.46 105.19 103.77 3khu n GLY 56 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3khu n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3khu h LEU 57 N 0.00 0.54 -0.55 0.99 5.85 -1.80 -2.65 115.31 117.70 3khu h LEU 57 Ca 0.00 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.35 3khu h LEU 57 Cb 0.00 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3khu h LEU 57 CO 0.00 0.90 0.11 0.50 -0.34 0.00 0.00 178.44 179.61 3khu h LYS 58 N 0.19 0.24 0.00 1.25 3.64 -1.91 -1.08 116.57 118.91 3khu h LYS 58 Ca 0.04 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3khu h LYS 58 Cb 0.74 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3khu h LYS 58 CO 0.05 0.16 -0.56 1.05 -2.27 0.00 0.00 179.45 177.88 3khu h GLU 59 N 0.25 0.00 -0.00 1.90 9.09 -1.94 -0.68 114.58 123.20 3khu h GLU 59 Ca 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.69 3khu h GLU 59 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3khu h GLU 59 CO -0.36 0.56 -0.00 0.28 0.05 0.00 0.00 179.01 179.54 3khu h VAL 60 N 0.00 1.31 -0.34 -1.06 2.07 -1.05 -2.62 116.25 114.55 3khu h VAL 60 Ca -0.01 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3khu h VAL 60 Cb 1.04 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3khu h VAL 60 CO 0.07 0.23 0.19 0.58 0.02 0.00 0.00 177.57 178.67 3khu h VAL 61 N -0.38 1.14 0.00 2.57 2.07 -1.01 -2.70 116.25 117.94 3khu h VAL 61 Ca 0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3khu h VAL 61 Cb 0.38 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3khu h VAL 61 CO 0.00 0.14 -0.12 -0.33 0.02 0.00 0.00 177.57 177.28 3khu h GLU 62 N 0.43 0.00 0.00 1.57 5.08 -1.18 0.19 114.58 120.67 3khu h GLU 62 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3khu h GLU 62 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3khu h GLU 62 CO -0.02 0.12 0.00 0.66 -1.00 0.00 0.00 179.01 178.77 3khu h SER 63 N 0.00 0.00 0.00 1.42 4.64 -1.12 -3.38 113.55 115.11 3khu h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3khu h SER 63 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3khu h SER 63 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3khu s ARG 65 N 0.00 4.20 0.00 0.00 3.52 0.62 -1.60 118.95 125.69 3khu s ARG 65 Ca 0.00 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 3khu s ARG 65 Cb 0.00 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3khu s ARG 65 CO 0.00 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 3khu n GLY 66 N 2.86 2.62 0.07 8.12 0.00 -0.40 -4.86 105.19 113.59 3khu n GLY 66 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3khu n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3khu n LYS 67 N -2.00 0.28 0.00 1.61 5.02 -0.63 -4.87 118.16 117.57 3khu n LYS 67 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3khu n LYS 67 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3khu n LYS 67 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3khu n ASN 68 N -3.53 0.92 -4.14 4.39 6.94 -0.98 -5.05 115.26 113.82 3khu n ASN 68 Ca -0.07 -1.44 -0.31 0.00 -0.02 0.00 0.00 54.58 52.73 3khu n ASN 68 Cb 0.27 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.52 3khu n ASN 68 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3khu s LEU 69 N -0.44 1.97 0.02 -4.53 2.96 -0.87 -0.33 118.68 117.46 3khu s LEU 69 Ca 0.00 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3khu s LEU 69 Cb 0.00 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 3khu s LEU 69 CO 0.00 0.07 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.63 3khu s PHE 70 N 0.80 0.92 -0.13 5.38 0.08 -0.04 -1.28 117.98 123.72 3khu s PHE 70 Ca -0.09 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.68 3khu s PHE 70 Cb -0.16 -0.56 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 3khu s PHE 70 CO -0.00 -0.01 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.85 3khu s PHE 71 N -0.71 2.45 0.02 0.36 0.08 -1.26 0.05 117.98 118.97 3khu s PHE 71 Ca -0.00 -1.21 -0.15 0.00 0.12 0.00 0.00 56.93 55.69 3khu s PHE 71 Cb -0.07 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3khu s PHE 71 CO 0.00 -0.57 0.33 0.45 -0.10 0.00 0.00 175.22 175.34 3khu s SER 72 N 0.85 -0.18 0.00 1.36 0.15 -0.62 -4.93 113.70 110.33 3khu s SER 72 Ca -0.07 -0.06 0.26 0.00 0.70 0.00 0.00 55.95 56.78 3khu s SER 72 Cb -0.15 0.36 0.59 0.00 -1.71 0.00 0.00 66.02 65.11 3khu s SER 72 CO -0.01 -0.58 1.46 0.35 1.20 0.00 0.00 173.24 175.66 3khu n THR 73 N 0.77 0.00 -2.64 6.45 -2.24 -1.26 -3.12 114.28 112.23 3khu n THR 73 Ca -0.19 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 3khu n THR 73 Cb 0.58 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 3khu n THR 73 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3khu s ASN 74 N -2.47 6.81 0.05 3.42 3.84 -1.26 -4.78 114.94 120.55 3khu s ASN 74 Ca 0.24 -2.36 -0.22 0.00 0.21 0.00 0.00 52.86 50.73 3khu s ASN 74 Cb 0.19 -2.55 -0.13 0.00 -0.55 0.00 0.00 41.25 38.21 3khu s ASN 74 CO 0.52 -1.16 1.49 0.40 -2.79 0.00 0.00 177.10 175.56 3khu h ILE 75 N 5.64 1.25 -0.32 -5.21 2.04 -1.92 -3.01 117.51 115.98 3khu h ILE 75 Ca 0.38 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3khu h ILE 75 Cb 0.90 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3khu h ILE 75 CO 1.41 0.23 0.18 0.44 0.00 0.00 0.00 178.15 180.42 3khu h ASP 76 N -0.04 0.29 0.30 1.72 3.32 -1.98 -1.53 116.42 118.50 3khu h ASP 76 Ca 0.04 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 3khu h ASP 76 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3khu h ASP 76 CO 0.01 0.21 -0.55 0.44 -1.72 0.00 0.00 179.24 177.62 3khu h ASP 77 N 0.37 0.30 -0.46 6.45 3.32 -1.96 -1.35 116.42 123.09 3khu h ASP 77 Ca 0.13 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3khu h ASP 77 Cb 0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3khu h ASP 77 CO -0.07 0.79 0.25 0.00 -1.72 0.00 0.00 179.24 178.50 3khu h ALA 78 N 1.21 0.59 -0.29 3.45 0.00 -1.31 -1.72 119.26 121.19 3khu h ALA 78 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3khu h ALA 78 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3khu h ALA 78 CO 0.09 0.11 0.16 0.82 0.00 0.00 0.00 179.25 180.43 3khu h ILE 79 N 0.60 1.13 -0.49 0.00 2.04 -1.21 -2.98 117.51 116.61 3khu h ILE 79 Ca 0.16 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3khu h ILE 79 Cb 0.05 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3khu h ILE 79 CO -0.03 0.13 0.22 0.50 0.00 0.00 0.00 178.15 178.98 3khu h LYS 80 N 0.35 0.43 0.00 2.37 3.64 -0.79 -2.32 116.57 120.25 3khu h LYS 80 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3khu h LYS 80 Cb 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3khu h LYS 80 CO -0.02 0.28 -0.06 0.39 -2.27 0.00 0.00 179.45 177.78 3khu n GLU 81 N -4.93 0.03 -2.98 1.90 4.71 -0.69 -4.85 120.64 113.83 3khu n GLU 81 Ca 0.04 0.02 -0.37 0.00 -0.01 0.00 0.00 57.16 56.84 3khu n GLU 81 Cb 0.15 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 28.99 3khu n GLU 81 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3khu s ALA 82 N -3.01 3.37 -0.01 0.62 0.00 -0.87 -4.85 121.76 117.01 3khu s ALA 82 Ca 0.13 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 3khu s ALA 82 Cb 0.18 -2.96 -0.30 0.00 0.00 0.00 0.00 23.12 20.04 3khu s ALA 82 CO 0.56 0.28 0.82 -0.44 0.00 0.00 0.00 175.76 176.98 3khu h ASP 83 N 3.62 0.56 -3.38 0.00 3.32 -1.42 -3.46 116.42 115.66 3khu h ASP 83 Ca -0.47 -0.75 -0.55 0.00 0.02 0.00 0.00 57.03 55.28 3khu h ASP 83 Cb 1.20 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.23 3khu h ASP 83 CO 0.65 1.62 -0.83 -0.22 -1.72 0.00 0.00 179.24 178.74 3khu s LEU 84 N -7.21 1.72 -0.29 1.55 2.96 -0.92 -1.35 118.68 115.15 3khu s LEU 84 Ca -0.11 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3khu s LEU 84 Cb 0.06 -0.96 0.06 0.00 0.50 0.00 0.00 46.19 45.85 3khu s LEU 84 CO 0.87 0.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 175.24 3khu s VAL 85 N 0.66 2.74 0.05 1.68 1.01 0.80 -0.74 120.40 126.60 3khu s VAL 85 Ca -0.14 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 3khu s VAL 85 Cb -0.16 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3khu s VAL 85 CO 0.04 -0.11 1.10 -0.36 0.00 0.00 0.00 175.10 175.77 3khu s PHE 86 N 1.20 3.55 -0.35 5.22 0.08 0.10 -0.73 117.98 127.04 3khu s PHE 86 Ca -0.06 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.33 3khu s PHE 86 Cb -0.20 -3.28 -0.01 0.00 -0.57 0.00 0.00 43.02 38.96 3khu s PHE 86 CO -0.02 -0.70 0.37 0.42 -0.10 0.00 0.00 175.22 175.19 3khu s ILE 87 N 0.91 5.16 -0.35 0.64 1.01 0.74 -0.69 121.20 128.62 3khu s ILE 87 Ca 0.55 0.02 0.13 0.00 0.00 0.00 0.00 60.65 61.34 3khu s ILE 87 Cb -0.26 -3.84 0.45 0.00 0.01 0.00 0.00 42.46 38.82 3khu s ILE 87 CO 0.29 -0.12 1.06 -0.24 0.00 0.00 0.00 174.94 175.93 3khu n SER 88 N 5.40 3.06 -4.92 3.58 2.88 0.63 -1.03 113.62 123.22 3khu n SER 88 Ca -0.09 -3.10 -0.21 0.00 -1.33 0.00 0.00 58.87 54.14 3khu n SER 88 Cb 0.49 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 3khu n SER 88 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3khu s VAL 89 N -4.26 4.85 0.47 2.46 -7.23 -1.24 -4.44 120.40 111.01 3khu s VAL 89 Ca 0.37 -1.13 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 3khu s VAL 89 Cb 0.41 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 3khu s VAL 89 CO -0.05 -0.32 1.03 0.21 -0.31 0.00 0.00 175.10 175.66 3khu s ASN 90 N -3.95 6.46 -0.59 4.85 2.47 -1.26 -4.74 114.94 118.18 3khu s ASN 90 Ca 0.35 1.91 0.04 0.00 0.42 0.00 0.00 52.86 55.58 3khu s ASN 90 Cb -0.09 -2.56 0.15 0.00 -1.45 0.00 0.00 41.25 37.30 3khu s ASN 90 CO 0.28 -0.70 0.35 0.42 -3.72 0.00 0.00 177.10 173.73 3khu s THR 91 N -1.97 2.79 0.72 -5.21 -4.23 -1.26 -4.71 115.64 101.78 3khu s THR 91 Ca 0.66 -3.61 -0.12 0.00 -1.18 0.00 0.00 61.69 57.44 3khu s THR 91 Cb -0.16 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.82 3khu s THR 91 CO 0.20 -0.87 1.10 -2.16 -0.54 0.00 0.00 174.62 172.34 3khu s PRO 92 N -0.66 2.51 0.33 3.99 0.04 -1.26 -4.48 135.00 135.48 3khu s PRO 92 Ca 0.20 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 3khu s PRO 92 Cb -0.19 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3khu s PRO 92 CO -0.05 -1.46 1.46 0.99 0.04 0.00 0.00 177.00 177.97 3khu s THR 93 N -2.70 2.30 0.26 1.26 2.01 -1.26 -0.20 115.64 117.30 3khu s THR 93 Ca 0.63 0.28 -0.31 0.00 0.31 0.00 0.00 61.69 62.61 3khu s THR 93 Cb -0.18 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 3khu s THR 93 CO 0.50 0.06 1.61 -0.54 -0.69 0.00 0.00 174.62 175.57 3khu s LYS 94 N -1.51 4.14 -0.01 4.92 1.02 -0.45 -4.76 119.74 123.10 3khu s LYS 94 Ca 0.55 2.54 0.21 0.00 0.02 0.00 0.00 55.97 59.29 3khu s LYS 94 Cb -0.44 -3.05 -0.26 0.00 -0.52 0.00 0.00 37.83 33.56 3khu s LYS 94 CO 0.55 -0.64 0.79 0.25 -0.92 0.00 0.00 175.35 175.38 3khu n THR 95 N 2.81 0.00 -4.09 2.17 -2.24 -1.26 -0.38 114.28 111.28 3khu n THR 95 Ca 0.10 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 3khu n THR 95 Cb 0.37 0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 3khu n THR 95 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3khu s TYR 96 N -3.12 0.76 0.00 4.78 -0.85 -1.26 -4.80 117.35 112.86 3khu s TYR 96 Ca 0.04 -1.09 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 3khu s TYR 96 Cb 0.15 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.18 3khu s TYR 96 CO 0.87 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 174.66 3khu n GLY 97 N -0.20 -1.17 3.67 5.49 0.00 -1.26 -4.37 105.19 107.35 3khu n GLY 97 Ca -0.04 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3khu n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3khu s MET 98 N 0.00 4.24 0.00 1.61 -1.94 -1.26 -2.16 119.30 119.79 3khu s MET 98 Ca 0.00 1.98 0.00 0.00 -1.71 0.00 0.00 55.69 55.96 3khu s MET 98 Cb 0.00 -3.74 0.00 0.00 2.01 0.00 0.00 34.83 33.10 3khu s MET 98 CO 0.00 -0.69 0.00 0.41 -0.01 0.00 0.00 175.02 174.73 3khu n GLY 99 N 3.79 0.56 3.58 -0.03 0.00 -1.26 -4.85 105.19 106.98 3khu n GLY 99 Ca 0.15 -0.51 -0.55 0.00 0.00 0.00 0.00 46.02 45.11 3khu n GLY 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3khu n LYS 100 N -2.76 0.80 -0.91 1.61 4.81 -0.92 -0.47 118.16 120.31 3khu n LYS 100 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3khu n LYS 100 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.16 3khu n LYS 100 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khu n GLY 101 N 2.39 0.92 1.02 3.14 0.00 0.48 -4.72 105.19 108.42 3khu n GLY 101 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3khu n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khu n ARG 102 N -2.09 0.00 -2.31 1.61 1.74 -0.43 -4.96 116.66 110.22 3khu n ARG 102 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3khu n ARG 102 Cb 0.00 -0.16 -0.01 0.00 -1.02 0.00 0.00 32.46 31.27 3khu n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3khu s ALA 103 N -1.51 2.87 0.34 7.54 0.00 0.38 -3.76 121.76 127.62 3khu s ALA 103 Ca 0.00 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3khu s ALA 103 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3khu s ALA 103 CO 0.00 -0.63 0.80 0.00 0.00 0.00 0.00 175.76 175.92 3khu s ALA 104 N -1.68 3.26 -0.39 0.00 0.00 -1.26 -1.34 121.76 120.34 3khu s ALA 104 Ca 0.67 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3khu s ALA 104 Cb -0.25 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.01 3khu s ALA 104 CO 0.30 0.28 0.26 0.34 0.00 0.00 0.00 175.76 176.94 3khu s ASP 105 N -2.17 5.98 -0.00 0.00 -1.08 0.72 -4.71 116.67 115.41 3khu s ASP 105 Ca 0.55 -0.91 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 3khu s ASP 105 Cb -0.11 -2.11 0.15 0.00 -1.46 0.00 0.00 42.92 39.39 3khu s ASP 105 CO 0.17 -0.42 1.10 0.18 0.52 0.00 0.00 175.17 176.72 3khu n LEU 106 N 5.10 1.00 -0.28 -1.34 4.77 -1.26 -4.13 117.00 120.86 3khu n LEU 106 Ca -0.11 -0.50 0.04 0.00 -0.03 0.00 0.00 56.01 55.41 3khu n LEU 106 Cb 0.47 -0.14 0.18 0.00 -2.33 0.00 0.00 43.42 41.60 3khu n LEU 106 CO 0.39 0.24 1.09 0.07 -1.33 0.00 0.00 177.39 177.85 3khu h LYS 107 N 1.00 0.61 -0.03 3.23 2.10 -1.93 -0.40 116.57 121.15 3khu h LYS 107 Ca 0.00 -0.04 -0.23 0.00 -2.00 0.00 0.00 60.65 58.39 3khu h LYS 107 Cb 0.27 -0.14 0.01 0.00 -0.90 0.00 0.00 32.23 31.47 3khu h LYS 107 CO 0.01 0.41 -0.91 1.88 -2.00 0.00 0.00 179.45 178.84 3khu h TYR 108 N 0.63 0.76 -0.59 0.07 0.05 -1.84 -1.06 116.97 114.98 3khu h TYR 108 Ca 0.41 -0.39 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3khu h TYR 108 Cb 0.51 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 3khu h TYR 108 CO -0.10 1.20 0.35 0.82 -1.05 0.00 0.00 178.16 179.38 3khu h ILE 109 N 0.32 1.18 -0.56 -2.88 1.08 -1.70 -1.30 117.51 113.65 3khu h ILE 109 Ca -0.08 -0.42 -0.08 0.00 -0.39 0.00 0.00 64.86 63.88 3khu h ILE 109 Cb 1.54 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 3khu h ILE 109 CO 0.17 0.19 0.02 -0.08 -0.69 0.00 0.00 178.15 177.76 3khu h GLU 110 N 0.80 0.97 -0.61 2.37 4.81 -0.96 -0.61 114.58 121.35 3khu h GLU 110 Ca 0.21 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3khu h GLU 110 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3khu h GLU 110 CO -0.04 0.96 0.36 0.00 -0.73 0.00 0.00 179.01 179.56 3khu h ALA 111 N 0.97 0.78 -0.54 2.92 0.00 -0.99 -1.49 119.26 120.90 3khu h ALA 111 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3khu h ALA 111 Cb 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3khu h ALA 111 CO 0.02 0.27 0.32 0.00 0.00 0.00 0.00 179.25 179.86 3khu h ALA 113 N 1.15 0.73 -0.50 0.00 0.00 -0.81 0.18 119.26 120.01 3khu h ALA 113 Ca 0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3khu h ALA 113 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3khu h ALA 113 CO -0.04 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 3khu h ARG 114 N 0.78 0.99 -0.71 0.00 3.08 -1.01 -2.19 114.38 115.32 3khu h ARG 114 Ca 0.21 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3khu h ARG 114 Cb -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3khu h ARG 114 CO -0.04 1.07 0.16 -0.09 -1.07 0.00 0.00 179.97 180.00 3khu h ARG 115 N 0.85 1.13 -0.33 0.04 9.65 -0.89 -1.94 114.38 122.90 3khu h ARG 115 Ca 0.12 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 3khu h ARG 115 Cb 0.72 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 3khu h ARG 115 CO 0.06 1.00 0.18 0.82 2.80 0.00 0.00 179.97 184.83 3khu h ILE 116 N 1.07 1.13 -0.32 1.20 2.04 -0.35 -2.22 117.51 120.07 3khu h ILE 116 Ca 0.22 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 3khu h ILE 116 Cb 0.38 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3khu h ILE 116 CO 0.00 0.14 -0.29 1.62 0.00 0.00 0.00 178.15 179.62 3khu h VAL 117 N 0.41 1.28 -0.90 1.67 3.04 -1.33 -2.42 116.25 118.00 3khu h VAL 117 Ca 0.12 -1.41 0.03 0.00 -1.01 0.00 0.00 66.70 64.43 3khu h VAL 117 Cb 0.06 1.35 -0.05 0.00 -2.01 0.00 0.00 31.29 30.64 3khu h VAL 117 CO -0.02 0.46 0.59 -0.61 -1.01 0.00 0.00 177.57 176.98 3khu h GLN 118 N 0.57 1.12 -0.50 4.17 4.15 -1.17 -3.00 115.11 120.46 3khu h GLN 118 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3khu h GLN 118 Cb 0.79 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3khu h GLN 118 CO 0.06 0.74 0.00 0.09 -1.93 0.00 0.00 178.83 177.80 3khu n ASN 119 N -4.43 4.91 -4.30 -0.69 3.02 -0.85 -4.99 115.26 107.93 3khu n ASN 119 Ca 0.11 -2.80 -0.27 0.00 -0.03 0.00 0.00 54.58 51.59 3khu n ASN 119 Cb 0.07 -0.60 -0.14 0.00 -0.61 0.00 0.00 39.78 38.50 3khu n ASN 119 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3khu s SER 120 N -1.13 2.78 0.05 6.41 0.01 -0.95 -3.96 113.70 116.91 3khu s SER 120 Ca 0.49 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 3khu s SER 120 Cb 0.36 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 3khu s SER 120 CO 0.16 0.18 0.02 0.20 0.41 0.00 0.00 173.24 174.21 3khu s ASN 121 N -1.41 0.33 0.47 2.44 0.01 -1.26 -4.97 114.94 110.56 3khu s ASN 121 Ca 0.09 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 3khu s ASN 121 Cb -0.09 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.77 3khu s ASN 121 CO 0.03 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 3khu n GLY 122 N 0.50 0.88 3.68 0.66 0.00 -1.13 -4.77 105.19 105.01 3khu n GLY 122 Ca -0.17 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 3khu n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3khu s TYR 123 N 0.00 3.32 0.02 1.61 5.04 -1.26 -0.22 117.35 125.87 3khu s TYR 123 Ca 0.00 0.18 -0.11 0.00 -2.44 0.00 0.00 57.07 54.70 3khu s TYR 123 Cb 0.00 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.23 3khu s TYR 123 CO 0.00 0.24 0.24 0.15 -1.34 0.00 0.00 175.55 174.84 3khu s LYS 124 N 0.26 0.69 -0.23 4.97 1.02 -0.89 -4.85 119.74 120.71 3khu s LYS 124 Ca 0.06 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 55.50 3khu s LYS 124 Cb -0.12 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 3khu s LYS 124 CO -0.00 -0.20 0.07 0.42 -0.92 0.00 0.00 175.35 174.72 3khu s ILE 125 N -2.14 4.50 -0.21 2.17 1.01 -0.45 -1.06 121.20 125.02 3khu s ILE 125 Ca -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 3khu s ILE 125 Cb -0.03 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3khu s ILE 125 CO -0.01 0.37 -0.04 -0.69 0.00 0.00 0.00 174.94 174.57 3khu s VAL 126 N 1.24 3.43 -0.14 2.92 1.01 0.26 -0.14 120.40 128.99 3khu s VAL 126 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3khu s VAL 126 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3khu s VAL 126 CO 0.04 0.43 -0.16 -0.89 0.00 0.00 0.00 175.10 174.52 3khu s THR 127 N 1.35 1.64 -0.03 3.92 2.01 0.09 -1.03 115.64 123.58 3khu s THR 127 Ca 0.04 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 3khu s THR 127 Cb -0.14 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3khu s THR 127 CO -0.02 0.47 1.34 -1.61 -0.69 0.00 0.00 174.62 174.11 3khu s GLU 128 N 1.21 4.30 -0.04 4.92 2.02 -0.56 -0.18 118.70 130.36 3khu s GLU 128 Ca -0.01 1.86 0.03 0.00 0.02 0.00 0.00 54.97 56.87 3khu s GLU 128 Cb -0.14 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 3khu s GLU 128 CO -0.07 -0.55 -0.00 1.17 0.02 0.00 0.00 175.26 175.83 3khu n LYS 129 N 5.45 2.40 -2.32 1.61 4.81 -0.20 -0.62 118.16 129.28 3khu n LYS 129 Ca 0.13 0.01 -0.25 0.00 -0.87 0.00 0.00 58.31 57.32 3khu n LYS 129 Cb 0.44 -1.10 0.08 0.00 0.02 0.00 0.00 35.03 34.47 3khu n LYS 129 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3khu s SER 130 N -3.79 4.67 0.03 3.14 0.01 -1.21 -3.33 113.70 113.21 3khu s SER 130 Ca -0.03 0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 3khu s SER 130 Cb 0.01 -0.81 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 3khu s SER 130 CO 0.15 -1.66 1.12 -0.89 0.41 0.00 0.00 173.24 172.37 3khu s THR 131 N -3.20 4.35 0.16 1.44 2.01 -1.26 -4.88 115.64 114.26 3khu s THR 131 Ca 0.62 1.69 0.06 0.00 0.31 0.00 0.00 61.69 64.36 3khu s THR 131 Cb -0.09 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3khu s THR 131 CO 0.44 0.12 -0.12 0.68 -0.69 0.00 0.00 174.62 175.05 3khu s VAL 132 N 1.11 1.37 0.68 3.82 -7.23 -1.26 -4.45 120.40 114.45 3khu s VAL 132 Ca 0.56 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 3khu s VAL 132 Cb -0.26 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.84 3khu s VAL 132 CO 0.28 -0.63 1.07 -2.16 -0.31 0.00 0.00 175.10 173.35 3khu s PRO 133 N -3.49 2.90 0.36 4.82 0.04 -1.26 -4.94 135.00 133.42 3khu s PRO 133 Ca 0.17 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.04 3khu s PRO 133 Cb 0.00 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3khu s PRO 133 CO 0.03 -1.14 1.47 0.08 0.04 0.00 0.00 177.00 177.48 3khu s VAL 134 N -2.77 2.18 0.00 -0.36 1.01 -1.26 -2.18 120.40 117.02 3khu s VAL 134 Ca 0.61 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3khu s VAL 134 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3khu s VAL 134 CO 0.48 0.04 0.00 0.54 0.00 0.00 0.00 175.10 176.17 3khu n ARG 135 N 0.75 0.00 -0.09 2.72 1.74 -1.26 -4.96 116.66 115.56 3khu n ARG 135 Ca 0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 3khu n ARG 135 Cb 0.39 -0.90 0.01 0.00 -1.02 0.00 0.00 32.46 30.94 3khu n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3khu h ALA 136 N 0.00 0.27 -0.81 7.54 0.00 -1.81 -2.42 119.26 122.03 3khu h ALA 136 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3khu h ALA 136 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3khu h ALA 136 CO 0.00 -0.42 0.53 0.00 0.00 0.00 0.00 179.25 179.36 3khu h ALA 137 N 1.30 1.54 -0.73 0.00 0.00 -1.93 -0.42 119.26 119.02 3khu h ALA 137 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3khu h ALA 137 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3khu h ALA 137 CO -0.29 0.37 0.46 1.49 0.00 0.00 0.00 179.25 181.28 3khu h GLU 138 N 0.97 0.98 -0.23 0.00 4.81 -1.87 -0.46 114.58 118.78 3khu h GLU 138 Ca 0.33 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3khu h GLU 138 Cb 0.10 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3khu h GLU 138 CO -0.10 0.67 -0.18 0.77 -0.73 0.00 0.00 179.01 179.44 3khu h SER 139 N 1.00 0.55 -0.02 1.04 0.02 -0.67 -1.12 113.55 114.35 3khu h SER 139 Ca 0.27 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3khu h SER 139 Cb -0.07 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3khu h SER 139 CO -0.05 0.89 -0.08 0.40 -1.14 0.00 0.00 176.83 176.84 3khu h ILE 140 N 0.22 0.78 -0.88 3.27 2.04 -1.10 -1.76 117.51 120.08 3khu h ILE 140 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 3khu h ILE 140 Cb 0.71 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 3khu h ILE 140 CO 0.05 0.00 0.57 -0.09 0.00 0.00 0.00 178.15 178.68 3khu h ARG 141 N -0.13 0.76 -0.38 2.37 9.65 -0.91 -1.33 114.38 124.41 3khu h ARG 141 Ca 0.04 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 3khu h ARG 141 Cb 0.19 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3khu h ARG 141 CO -0.10 0.50 -0.23 0.00 2.80 0.00 0.00 179.97 182.94 3khu h ARG 142 N 0.78 0.82 -0.48 0.20 3.08 -0.63 0.34 114.38 118.50 3khu h ARG 142 Ca 0.43 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3khu h ARG 142 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3khu h ARG 142 CO -0.19 1.02 0.27 0.82 -1.07 0.00 0.00 179.97 180.82 3khu h ILE 143 N 0.62 1.16 -0.04 2.04 2.04 -0.62 -1.17 117.51 121.55 3khu h ILE 143 Ca 0.08 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3khu h ILE 143 Cb 0.80 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3khu h ILE 143 CO 0.07 0.17 0.02 -0.26 0.00 0.00 0.00 178.15 178.15 3khu h PHE 144 N 0.64 0.05 -0.21 1.37 0.04 -1.09 -2.34 116.94 115.40 3khu h PHE 144 Ca 0.17 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3khu h PHE 144 Cb 0.04 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3khu h PHE 144 CO -0.02 0.12 0.13 -0.44 -0.60 0.00 0.00 178.31 177.50 3khu h ASP 145 N -0.02 0.24 1.26 2.17 3.32 -0.81 -2.20 116.42 120.37 3khu h ASP 145 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3khu h ASP 145 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3khu h ASP 145 CO -0.00 0.19 -0.19 0.00 -1.72 0.00 0.00 179.24 177.51 3khu n ALA 146 N -2.51 2.50 -2.48 3.45 0.00 -0.45 -4.12 120.51 116.90 3khu n ALA 146 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 3khu n ALA 146 Cb 0.08 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.17 3khu n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3khu n ASN 147 N -2.17 3.67 -4.82 0.00 3.02 -0.83 -5.08 115.26 109.04 3khu n ASN 147 Ca 0.05 -3.33 -0.32 0.00 -0.03 0.00 0.00 54.58 50.94 3khu n ASN 147 Cb 0.43 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3khu n ASN 147 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3khu s THR 148 N -4.64 4.13 0.08 3.41 -1.32 -1.20 -4.95 115.64 111.16 3khu s THR 148 Ca 0.41 0.97 0.03 0.00 -1.21 0.00 0.00 61.69 61.90 3khu s THR 148 Cb 0.41 -3.53 -0.03 0.00 -1.51 0.00 0.00 72.50 67.84 3khu s THR 148 CO -0.08 -0.63 -0.09 -0.54 -2.21 0.00 0.00 174.62 171.06 3khu s LYS 149 N -4.21 0.77 0.25 7.08 1.02 -1.26 -5.09 119.74 118.31 3khu s LYS 149 Ca 0.61 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 3khu s LYS 149 Cb -0.13 -0.43 -0.13 0.00 -0.52 0.00 0.00 37.83 36.62 3khu s LYS 149 CO 0.37 0.06 1.49 -2.30 -0.92 0.00 0.00 175.35 174.05 3khu n PRO 150 N 0.66 2.29 -0.87 -1.68 -0.02 -1.26 -1.99 135.00 132.14 3khu n PRO 150 Ca -0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3khu n PRO 150 Cb 0.57 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3khu n PRO 150 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3khu n ASN 151 N 2.25 -2.96 -4.65 2.55 3.02 -1.26 -4.80 115.26 109.41 3khu n ASN 151 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 3khu n ASN 151 Cb 0.33 -2.13 -0.03 0.00 -0.61 0.00 0.00 39.78 37.33 3khu n ASN 151 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3khu s LEU 152 N 0.00 4.09 -0.36 3.41 2.96 -0.84 -2.81 118.68 125.12 3khu s LEU 152 Ca 0.00 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 3khu s LEU 152 Cb 0.00 -3.32 0.12 0.00 0.50 0.00 0.00 46.19 43.48 3khu s LEU 152 CO 0.00 -0.57 0.16 0.21 -1.32 0.00 0.00 176.35 174.82 3khu s ASN 153 N 1.29 3.85 -0.18 3.68 2.47 0.70 -4.79 114.94 121.96 3khu s ASN 153 Ca 0.38 -2.07 -0.08 0.00 0.42 0.00 0.00 52.86 51.52 3khu s ASN 153 Cb -0.15 -0.93 -0.04 0.00 -1.45 0.00 0.00 41.25 38.68 3khu s ASN 153 CO 0.07 -0.35 0.08 -0.76 -3.72 0.00 0.00 177.10 172.41 3khu s LEU 154 N 1.08 3.90 -0.10 3.21 1.43 -1.26 -2.10 118.68 124.84 3khu s LEU 154 Ca 0.13 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3khu s LEU 154 Cb -0.20 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3khu s LEU 154 CO -0.13 0.19 -0.07 -1.10 0.23 0.00 0.00 176.35 175.46 3khu s GLN 155 N 0.30 3.07 -0.17 1.70 -1.52 -0.22 -4.98 119.66 117.84 3khu s GLN 155 Ca 0.04 -0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 52.86 3khu s GLN 155 Cb -0.12 -2.67 -0.02 0.00 -0.22 0.00 0.00 33.01 29.98 3khu s GLN 155 CO -0.00 0.49 -0.05 0.08 -0.25 0.00 0.00 175.29 175.56 3khu s VAL 156 N -0.34 3.63 0.20 1.09 1.01 -1.26 0.93 120.40 125.67 3khu s VAL 156 Ca 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3khu s VAL 156 Cb -0.12 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3khu s VAL 156 CO 0.02 0.47 -0.13 -0.76 0.00 0.00 0.00 175.10 174.70 3khu s LEU 157 N 0.72 2.54 -0.11 3.92 1.43 -0.20 -4.58 118.68 122.41 3khu s LEU 157 Ca -0.02 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 3khu s LEU 157 Cb -0.15 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3khu s LEU 157 CO 0.02 -0.20 -0.14 -0.55 0.23 0.00 0.00 176.35 175.70 3khu s SER 158 N -3.31 3.93 -0.41 2.29 0.15 0.75 -1.50 113.70 115.60 3khu s SER 158 Ca 0.22 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.61 3khu s SER 158 Cb -0.00 -1.42 0.21 0.00 -1.71 0.00 0.00 66.02 63.10 3khu s SER 158 CO 0.06 0.20 0.45 -3.20 1.20 0.00 0.00 173.24 171.96 3khu n ASN 159 N 3.26 -0.36 -4.76 5.45 4.05 0.21 -0.28 115.26 122.83 3khu n ASN 159 Ca -0.18 -2.56 -0.33 0.00 0.45 0.00 0.00 54.58 51.97 3khu n ASN 159 Cb 0.53 -0.45 0.07 0.00 1.23 0.00 0.00 39.78 41.16 3khu n ASN 159 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3khu s PRO 160 N -0.45 2.48 0.00 1.20 0.02 -1.24 -4.36 135.00 132.66 3khu s PRO 160 Ca 0.34 1.43 -0.05 0.00 0.02 0.00 0.00 61.00 62.74 3khu s PRO 160 Cb 0.10 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 3khu s PRO 160 CO -0.16 -1.51 0.24 1.14 -0.33 0.00 0.00 177.00 176.38 3khu s GLN 161 N -4.22 3.53 -0.46 5.54 1.03 -1.21 -4.61 119.66 119.25 3khu s GLN 161 Ca 0.67 -0.17 0.09 0.00 0.04 0.00 0.00 55.36 55.99 3khu s GLN 161 Cb -0.22 -3.08 0.36 0.00 0.03 0.00 0.00 33.01 30.10 3khu s GLN 161 CO 0.45 0.65 0.86 1.19 -2.54 0.00 0.00 175.29 175.91 3khu n PHE 162 N 1.04 2.11 -3.59 9.60 3.72 -1.26 -4.99 117.46 124.09 3khu n PHE 162 Ca -0.11 -3.80 -0.37 0.00 -0.05 0.00 0.00 57.45 53.13 3khu n PHE 162 Cb 0.53 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3khu n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3khu s LEU 163 N -2.99 4.32 -0.06 4.37 1.43 -1.26 -4.90 118.68 119.59 3khu s LEU 163 Ca 0.44 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3khu s LEU 163 Cb 0.33 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3khu s LEU 163 CO -0.11 0.20 0.03 0.00 0.23 0.00 0.00 176.35 176.71 3khu s ALA 164 N -0.11 3.41 0.14 4.21 0.00 -1.26 -5.02 121.76 123.13 3khu s ALA 164 Ca 0.18 -0.83 -0.34 0.00 0.00 0.00 0.00 51.96 50.97 3khu s ALA 164 Cb -0.14 -1.53 -0.14 0.00 0.00 0.00 0.00 23.12 21.32 3khu s ALA 164 CO 0.06 0.62 1.58 -1.91 0.00 0.00 0.00 175.76 176.11 3khu n GLU 165 N 1.78 2.07 0.00 0.00 0.00 -1.26 -1.73 120.64 121.50 3khu n GLU 165 Ca -0.17 0.75 0.00 0.00 0.00 0.00 0.00 57.16 57.74 3khu n GLU 165 Cb 0.53 -2.51 0.00 0.00 0.00 0.00 0.00 31.44 29.46 3khu n GLU 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3khu n GLY 166 N 3.42 2.01 0.54 8.31 0.00 -1.26 -4.84 105.19 113.36 3khu n GLY 166 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3khu n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3khu n THR 167 N -2.00 1.01 -0.08 2.61 -2.24 -0.71 -4.64 114.28 108.23 3khu n THR 167 Ca 0.00 -1.49 -0.06 0.00 -2.27 0.00 0.00 64.05 60.23 3khu n THR 167 Cb 0.00 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3khu n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khu h ALA 168 N 0.34 0.27 -0.39 6.98 0.00 -1.87 0.48 119.26 125.07 3khu h ALA 168 Ca -0.04 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3khu h ALA 168 Cb 1.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3khu h ALA 168 CO 0.02 -0.42 -0.03 0.82 0.00 0.00 0.00 179.25 179.64 3khu h ILE 169 N 0.08 1.27 -0.52 0.00 1.08 -1.91 -0.38 117.51 117.12 3khu h ILE 169 Ca 0.15 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.52 3khu h ILE 169 Cb 0.20 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3khu h ILE 169 CO -0.26 0.35 0.16 0.11 -0.69 0.00 0.00 178.15 177.83 3khu h LYS 170 N 0.52 0.77 -0.04 2.37 1.57 -1.82 0.52 116.57 120.46 3khu h LYS 170 Ca 0.11 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3khu h LYS 170 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3khu h LYS 170 CO 0.03 0.67 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.87 3khu h ASP 171 N 0.75 0.07 0.34 0.86 3.32 -0.24 -0.91 116.42 120.63 3khu h ASP 171 Ca 0.17 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 3khu h ASP 171 Cb 0.22 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3khu h ASP 171 CO -0.01 0.35 -1.66 -0.07 -1.72 0.00 0.00 179.24 176.12 3khu h LEU 172 N 0.07 0.43 0.01 1.55 3.38 -0.64 -3.11 115.31 117.01 3khu h LEU 172 Ca 0.01 -0.66 -0.22 0.00 0.09 0.00 0.00 57.88 57.10 3khu h LEU 172 Cb 0.52 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3khu h LEU 172 CO 0.04 1.56 -1.05 0.11 0.09 0.00 0.00 178.44 179.19 3khu h LYS 173 N 0.07 0.03 -2.05 1.13 1.57 -0.88 -3.38 116.57 113.06 3khu h LYS 173 Ca -0.30 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 57.91 3khu h LYS 173 Cb 2.04 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.97 3khu h LYS 173 CO 0.15 1.01 -1.05 -1.71 -0.57 0.00 0.00 179.45 177.28 3khu n ASN 174 N -3.36 1.33 -4.78 0.86 5.15 -0.35 -4.91 115.26 109.20 3khu n ASN 174 Ca -0.01 -3.03 -0.37 0.00 -0.60 0.00 0.00 54.58 50.56 3khu n ASN 174 Cb 0.95 -0.62 -0.05 0.00 -0.53 0.00 0.00 39.78 39.53 3khu n ASN 174 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3khu s PRO 175 N -2.19 4.32 0.26 1.20 0.04 -1.17 -4.69 135.00 132.76 3khu s PRO 175 Ca 0.40 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 3khu s PRO 175 Cb 0.27 -2.65 0.33 0.00 0.04 0.00 0.00 34.50 32.49 3khu s PRO 175 CO -0.09 0.00 1.91 -0.44 0.04 0.00 0.00 177.00 178.42 3khu h ASP 176 N 2.76 1.10 -5.03 6.66 3.32 -1.94 -3.44 116.42 119.85 3khu h ASP 176 Ca -0.48 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3khu h ASP 176 Cb 1.21 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.39 3khu h ASP 176 CO 0.63 0.76 0.13 0.00 -1.72 0.00 0.00 179.24 179.04 3khu s ARG 177 N -6.08 1.28 -0.09 3.56 3.03 -1.26 -4.90 118.95 114.50 3khu s ARG 177 Ca -0.13 -0.61 0.01 0.00 2.03 0.00 0.00 55.73 57.04 3khu s ARG 177 Cb 0.19 0.56 -0.02 0.00 -1.03 0.00 0.00 34.95 34.64 3khu s ARG 177 CO 0.82 -0.55 -0.12 0.08 -1.13 0.00 0.00 175.30 174.40 3khu s VAL 178 N -3.79 3.24 -0.17 4.99 1.01 0.32 -4.97 120.40 121.04 3khu s VAL 178 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3khu s VAL 178 Cb -0.01 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3khu s VAL 178 CO -0.10 0.56 -0.17 -0.22 0.00 0.00 0.00 175.10 175.16 3khu s LEU 179 N -0.25 1.97 -0.09 3.92 2.96 -1.26 0.12 118.68 126.05 3khu s LEU 179 Ca 0.02 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3khu s LEU 179 Cb -0.13 -1.36 0.02 0.00 0.50 0.00 0.00 46.19 45.22 3khu s LEU 179 CO 0.03 -0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.30 3khu s ILE 180 N 1.37 1.06 -0.05 6.68 1.01 -0.32 -3.64 121.20 127.32 3khu s ILE 180 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.37 3khu s ILE 180 Cb -0.13 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3khu s ILE 180 CO -0.12 0.36 -0.18 -0.83 0.00 0.00 0.00 174.94 174.17 3khu s GLY 181 N 1.19 1.45 0.29 6.18 0.00 0.62 -1.19 107.32 115.86 3khu s GLY 181 Ca -0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 44.72 43.52 3khu s GLY 181 CO -0.02 -0.78 0.59 -0.32 0.00 0.00 0.00 173.10 172.57 3khu s GLY 182 N -0.62 0.47 0.72 0.20 0.00 -0.93 -0.18 107.32 106.97 3khu s GLY 182 Ca 0.09 -0.79 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 3khu s GLY 182 CO 0.00 -0.48 1.18 0.99 0.00 0.00 0.00 173.10 174.79 3khu s ASP 183 N -3.03 4.38 -0.00 1.64 -0.00 -1.26 -3.29 116.67 115.10 3khu s ASP 183 Ca 0.19 2.26 0.00 0.00 -0.00 0.00 0.00 52.55 55.00 3khu s ASP 183 Cb -0.03 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.32 3khu s ASP 183 CO 0.10 -2.13 0.92 -1.84 -0.00 0.00 0.00 175.17 172.22 3khu n GLU 184 N -2.71 1.01 -2.37 8.23 -0.00 -1.26 -3.71 120.64 119.85 3khu n GLU 184 Ca 0.13 -0.02 -0.27 0.00 -0.00 0.00 0.00 57.16 57.00 3khu n GLU 184 Cb 0.51 -1.08 0.03 0.00 -0.00 0.00 0.00 31.44 30.90 3khu n GLU 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3khu s THR 185 N -1.84 3.57 0.24 3.84 -4.23 -1.26 -4.88 115.64 111.08 3khu s THR 185 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3khu s THR 185 Cb 0.00 -3.43 0.22 0.00 1.34 0.00 0.00 72.50 70.64 3khu s THR 185 CO 0.00 -0.45 1.88 -0.65 -0.54 0.00 0.00 174.62 174.87 3khu h PRO 186 N -0.21 1.27 -0.36 3.99 0.11 -1.99 -0.34 132.00 134.46 3khu h PRO 186 Ca -0.45 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 3khu h PRO 186 Cb 1.26 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3khu h PRO 186 CO 0.61 0.90 0.11 0.93 -0.21 0.00 0.00 178.00 180.34 3khu h GLU 187 N 1.28 0.57 -0.53 1.05 4.39 -1.94 -2.00 114.58 117.39 3khu h GLU 187 Ca 0.33 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.96 3khu h GLU 187 Cb -0.02 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3khu h GLU 187 CO -0.06 0.59 0.25 0.78 -1.16 0.00 0.00 179.01 179.41 3khu h GLY 188 N 0.44 0.74 1.79 -3.84 0.00 -1.66 -1.98 103.07 98.55 3khu h GLY 188 Ca 0.12 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 3khu h GLY 188 CO -0.00 0.09 -0.48 1.46 0.00 0.00 0.00 176.54 177.61 3khu h GLN 189 N 0.49 0.23 -0.65 4.80 1.08 -0.98 -1.14 115.11 118.94 3khu h GLN 189 Ca 0.24 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 3khu h GLN 189 Cb 0.17 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3khu h GLN 189 CO -0.18 0.67 0.08 0.00 -0.95 0.00 0.00 178.83 178.44 3khu h ARG 190 N 0.19 1.09 -0.39 1.46 3.08 -1.08 -1.00 114.38 117.72 3khu h ARG 190 Ca 0.01 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 3khu h ARG 190 Cb 0.92 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3khu h ARG 190 CO 0.07 1.01 -0.01 0.00 -1.07 0.00 0.00 179.97 179.98 3khu h ALA 191 N 1.03 0.53 -0.15 0.04 0.00 -0.99 -1.85 119.26 117.87 3khu h ALA 191 Ca 0.19 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3khu h ALA 191 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3khu h ALA 191 CO 0.02 0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 3khu h VAL 192 N 0.52 0.89 -0.74 0.00 2.07 -1.05 -2.25 116.25 115.68 3khu h VAL 192 Ca 0.11 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3khu h VAL 192 Cb 0.49 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3khu h VAL 192 CO 0.02 0.01 0.48 -0.61 0.02 0.00 0.00 177.57 177.49 3khu h GLN 193 N 0.03 0.92 -0.92 1.57 5.75 -1.14 -0.47 115.11 120.86 3khu h GLN 193 Ca 0.07 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3khu h GLN 193 Cb 0.09 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.37 3khu h GLN 193 CO -0.12 0.61 0.59 0.00 -2.65 0.00 0.00 178.83 177.25 3khu h ALA 194 N 1.30 1.24 -0.04 3.38 0.00 -0.85 -0.53 119.26 123.76 3khu h ALA 194 Ca 0.29 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 3khu h ALA 194 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3khu h ALA 194 CO -0.09 0.39 -0.84 1.25 0.00 0.00 0.00 179.25 179.96 3khu h LEU 195 N 1.10 0.53 -0.38 0.00 5.85 -0.86 -3.02 115.31 118.53 3khu h LEU 195 Ca 0.38 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3khu h LEU 195 Cb 0.10 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3khu h LEU 195 CO -0.15 1.16 0.08 0.00 -0.34 0.00 0.00 178.44 179.20 3khu h ALA 197 N 1.28 2.22 0.37 0.00 0.00 -0.99 0.28 119.26 122.41 3khu h ALA 197 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3khu h ALA 197 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3khu h ALA 197 CO -0.23 -0.40 -0.18 0.28 0.00 0.00 0.00 179.25 178.72 3khu h VAL 198 N 0.29 0.61 0.00 0.00 2.07 -1.35 -3.11 116.25 114.76 3khu h VAL 198 Ca 0.33 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3khu h VAL 198 Cb 0.87 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3khu h VAL 198 CO -0.08 0.08 -0.09 1.88 0.02 0.00 0.00 177.57 179.39 3khu h TYR 199 N -0.77 0.00 0.00 1.57 -1.99 -0.77 -2.26 116.97 112.75 3khu h TYR 199 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3khu h TYR 199 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 3khu h TYR 199 CO 0.01 0.09 0.00 0.39 -0.00 0.00 0.00 178.16 178.65 3khu n GLU 200 N -4.07 0.15 0.30 4.88 1.02 0.80 -0.62 120.64 123.08 3khu n GLU 200 Ca -0.03 0.51 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 3khu n GLU 200 Cb 0.17 -1.87 0.91 0.00 -0.02 0.00 0.00 31.44 30.63 3khu n GLU 200 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3khu h HIS 201 N 0.00 0.00 0.00 -0.32 3.86 -1.47 -3.35 115.15 113.87 3khu h HIS 201 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3khu h HIS 201 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3khu h HIS 201 CO 0.00 0.01 0.00 -2.67 0.86 0.00 0.00 177.93 176.13 3khu n TRP 202 N -3.78 0.00 -4.80 2.45 2.14 -0.89 -5.01 117.44 107.54 3khu n TRP 202 Ca -0.03 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.21 3khu n TRP 202 Cb 0.10 0.01 -0.15 0.00 -0.81 0.00 0.00 31.31 30.46 3khu n TRP 202 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3khu s VAL 203 N 0.00 2.89 0.35 -1.67 1.01 0.20 -4.99 120.40 118.19 3khu s VAL 203 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3khu s VAL 203 Cb 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 36.38 34.06 3khu s VAL 203 CO 0.00 0.53 1.37 -2.65 0.00 0.00 0.00 175.10 174.35 3khu n PRO 204 N 3.59 2.35 -0.34 2.72 -0.02 -1.26 -4.26 135.00 137.77 3khu n PRO 204 Ca -0.18 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3khu n PRO 204 Cb 0.53 -2.47 0.32 0.00 -0.02 0.00 0.00 33.50 31.86 3khu n PRO 204 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3khu h ARG 205 N 2.75 0.68 0.00 -0.52 9.65 -1.95 -0.14 114.38 124.85 3khu h ARG 205 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3khu h ARG 205 Cb 1.27 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3khu h ARG 205 CO 0.63 0.45 0.00 -0.85 2.80 0.00 0.00 179.97 183.00 3khu n GLU 206 N -4.82 0.03 -0.01 0.20 0.00 -1.26 -1.67 120.64 113.11 3khu n GLU 206 Ca 0.23 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.59 3khu n GLU 206 Cb 0.60 -1.50 0.55 0.00 0.00 0.00 0.00 31.44 31.09 3khu n GLU 206 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3khu n LYS 207 N -1.49 1.61 -3.57 3.44 5.02 -0.07 -4.77 118.16 118.33 3khu n LYS 207 Ca 0.07 -0.89 -0.40 0.00 -2.02 0.00 0.00 58.31 55.07 3khu n LYS 207 Cb 0.29 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 3khu n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3khu s ILE 208 N -1.98 4.96 -0.17 -0.18 1.01 -0.67 -0.52 121.20 123.65 3khu s ILE 208 Ca 0.38 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 3khu s ILE 208 Cb 0.21 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 3khu s ILE 208 CO 0.33 -0.07 0.02 -0.22 0.00 0.00 0.00 174.94 175.00 3khu s LEU 209 N 1.65 3.56 -0.08 2.97 2.96 0.12 -4.96 118.68 124.90 3khu s LEU 209 Ca 0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3khu s LEU 209 Cb -0.18 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3khu s LEU 209 CO 0.08 0.17 -0.15 0.42 -1.32 0.00 0.00 176.35 175.55 3khu s THR 210 N 0.38 2.93 0.22 3.68 -4.23 -1.26 -1.18 115.64 116.18 3khu s THR 210 Ca -0.00 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 3khu s THR 210 Cb -0.13 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 3khu s THR 210 CO 0.01 0.56 0.18 0.35 -0.54 0.00 0.00 174.62 175.18 3khu n THR 211 N 2.89 0.00 -1.95 3.99 -2.24 -0.33 -4.99 114.28 111.65 3khu n THR 211 Ca -0.18 -1.58 -0.30 0.00 -2.27 0.00 0.00 64.05 59.72 3khu n THR 211 Cb 0.52 0.78 0.05 0.00 -2.10 0.00 0.00 70.33 69.58 3khu n THR 211 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3khu s ASN 212 N -2.52 5.37 0.23 3.42 2.20 -1.26 -2.20 114.94 120.18 3khu s ASN 212 Ca 0.25 1.05 -0.06 0.00 -0.94 0.00 0.00 52.86 53.16 3khu s ASN 212 Cb 0.01 -1.84 0.21 0.00 -2.00 0.00 0.00 41.25 37.64 3khu s ASN 212 CO 0.18 -1.36 1.76 0.74 -2.94 0.00 0.00 177.10 175.48 3khu h THR 213 N -0.64 1.25 -0.27 0.54 2.02 -1.79 -2.08 112.91 111.95 3khu h THR 213 Ca -0.45 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 65.79 3khu h THR 213 Cb 1.26 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3khu h THR 213 CO 0.64 0.35 0.07 -0.50 0.37 0.00 0.00 175.52 176.45 3khu h TRP 214 N 1.01 0.45 -0.82 3.16 6.55 -1.93 -1.88 115.95 122.49 3khu h TRP 214 Ca 0.21 -0.05 0.08 0.00 0.95 0.00 0.00 58.89 60.08 3khu h TRP 214 Cb 0.33 -0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 28.45 3khu h TRP 214 CO 0.02 0.50 0.53 0.77 -1.05 0.00 0.00 178.44 179.22 3khu h SER 215 N 0.27 0.75 -0.02 -3.49 0.02 -1.88 -0.17 113.55 109.03 3khu h SER 215 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3khu h SER 215 Cb 0.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3khu h SER 215 CO 0.00 0.47 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.84 3khu h SER 216 N 0.84 0.07 -0.93 3.07 0.87 -1.22 -0.64 113.55 115.62 3khu h SER 216 Ca 0.36 -0.56 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3khu h SER 216 Cb 0.32 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 3khu h SER 216 CO -0.14 0.62 0.60 -0.33 -0.53 0.00 0.00 176.83 177.05 3khu h GLU 217 N -0.47 1.23 -0.08 2.24 5.08 -1.03 -2.82 114.58 118.73 3khu h GLU 217 Ca 0.00 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 3khu h GLU 217 Cb 0.60 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3khu h GLU 217 CO 0.01 0.82 -0.67 1.25 -1.00 0.00 0.00 179.01 179.42 3khu h LEU 218 N 1.26 0.37 -1.12 1.33 5.85 -1.03 -3.12 115.31 118.85 3khu h LEU 218 Ca 0.34 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3khu h LEU 218 Cb -0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3khu h LEU 218 CO -0.07 0.94 0.38 0.28 -0.34 0.00 0.00 178.44 179.63 3khu h SER 219 N 0.23 0.89 0.12 1.25 0.02 -0.86 -0.87 113.55 114.32 3khu h SER 219 Ca -0.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3khu h SER 219 Cb 1.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3khu h SER 219 CO 0.11 0.72 -0.06 0.50 -1.14 0.00 0.00 176.83 176.96 3khu h LYS 220 N 1.00 -0.15 -0.53 3.45 1.63 -1.47 0.84 116.57 121.33 3khu h LYS 220 Ca 0.25 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 3khu h LYS 220 Cb 0.04 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 3khu h LYS 220 CO -0.04 0.08 0.30 -0.07 -3.45 0.00 0.00 179.45 176.27 3khu h LEU 221 N -0.37 0.65 -0.61 5.20 3.38 -1.56 -2.42 115.31 119.58 3khu h LEU 221 Ca -0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3khu h LEU 221 Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3khu h LEU 221 CO 0.03 0.54 0.06 0.00 0.09 0.00 0.00 178.44 179.16 3khu h ALA 222 N 1.14 0.81 -0.36 1.53 0.00 -1.07 -0.96 119.26 120.35 3khu h ALA 222 Ca 0.19 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3khu h ALA 222 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3khu h ALA 222 CO -0.03 0.60 0.15 0.00 0.00 0.00 0.00 179.25 179.98 3khu h ALA 223 N 1.01 0.43 -0.71 0.00 0.00 -0.48 0.18 119.26 119.69 3khu h ALA 223 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3khu h ALA 223 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3khu h ALA 223 CO 0.02 -0.23 0.23 -0.91 0.00 0.00 0.00 179.25 178.36 3khu h ASN 224 N 0.33 1.03 -0.94 0.00 2.35 -1.17 -1.44 115.58 115.73 3khu h ASN 224 Ca 0.16 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3khu h ASN 224 Cb 0.10 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 3khu h ASN 224 CO -0.13 0.96 0.62 0.00 -1.65 0.00 0.00 177.43 177.23 3khu h ALA 225 N 1.11 1.34 -0.48 -0.83 0.00 -0.13 0.20 119.26 120.47 3khu h ALA 225 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3khu h ALA 225 Cb 0.30 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3khu h ALA 225 CO -0.01 0.60 -0.04 0.74 0.00 0.00 0.00 179.25 180.54 3khu h PHE 226 N 1.26 0.95 -0.15 0.00 -1.00 -0.03 0.57 116.94 118.55 3khu h PHE 226 Ca 0.35 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3khu h PHE 226 Cb -0.11 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 3khu h PHE 226 CO -0.00 0.92 0.04 -0.07 -1.61 0.00 0.00 178.31 177.58 3khu h LEU 227 N 0.72 0.22 -1.44 1.54 3.38 -0.67 -1.44 115.31 117.61 3khu h LEU 227 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3khu h LEU 227 Cb 0.56 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3khu h LEU 227 CO 0.03 0.39 0.07 0.00 0.09 0.00 0.00 178.44 179.02 3khu h ALA 228 N 0.84 1.56 -0.33 1.53 0.00 -0.50 -2.09 119.26 120.26 3khu h ALA 228 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3khu h ALA 228 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3khu h ALA 228 CO 0.00 0.33 -0.12 0.37 0.00 0.00 0.00 179.25 179.83 3khu h GLN 229 N 0.43 0.57 -0.71 0.00 4.15 -0.35 -0.65 115.11 118.56 3khu h GLN 229 Ca 0.10 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 3khu h GLN 229 Cb 0.18 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3khu h GLN 229 CO -0.00 0.69 0.24 0.00 -1.93 0.00 0.00 178.83 177.82 3khu h ARG 230 N 0.53 1.08 -0.07 1.69 3.08 -0.56 0.12 114.38 120.24 3khu h ARG 230 Ca 0.09 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3khu h ARG 230 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3khu h ARG 230 CO 0.03 0.91 -0.11 0.82 -1.07 0.00 0.00 179.97 180.55 3khu h ILE 231 N 1.04 1.40 -0.26 2.04 2.04 -1.28 -1.75 117.51 120.73 3khu h ILE 231 Ca 0.23 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3khu h ILE 231 Cb 0.27 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3khu h ILE 231 CO -0.01 0.38 0.08 0.28 0.00 0.00 0.00 178.15 178.88 3khu h SER 232 N -0.26 0.33 -0.13 1.72 0.02 -0.99 0.16 113.55 114.40 3khu h SER 232 Ca 0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3khu h SER 232 Cb 0.67 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3khu h SER 232 CO 0.03 0.33 -0.01 0.28 -1.14 0.00 0.00 176.83 176.32 3khu h SER 233 N 0.37 0.23 0.05 3.07 0.02 -0.64 -0.01 113.55 116.65 3khu h SER 233 Ca 0.09 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 3khu h SER 233 Cb 0.12 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3khu h SER 233 CO -0.01 0.50 -0.40 -0.29 -1.14 0.00 0.00 176.83 175.50 3khu h ILE 234 N -0.04 1.30 -0.46 3.27 6.09 -1.03 -1.91 117.51 124.72 3khu h ILE 234 Ca 0.04 -1.54 -0.03 0.00 -1.37 0.00 0.00 64.86 61.95 3khu h ILE 234 Cb 0.39 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 39.24 3khu h ILE 234 CO 0.01 0.48 0.15 0.78 -3.07 0.00 0.00 178.15 176.49 3khu h ASN 235 N 0.37 0.62 -0.60 2.19 2.35 -0.63 -0.44 115.58 119.44 3khu h ASN 235 Ca 0.03 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3khu h ASN 235 Cb 0.86 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 3khu h ASN 235 CO 0.07 0.59 0.28 0.77 -1.65 0.00 0.00 177.43 177.49 3khu h SER 236 N 0.67 0.79 -0.61 5.81 4.64 -0.27 -1.76 113.55 122.82 3khu h SER 236 Ca 0.16 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3khu h SER 236 Cb 0.20 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3khu h SER 236 CO -0.01 0.71 0.36 0.40 -0.87 0.00 0.00 176.83 177.42 3khu h ILE 237 N 0.82 1.18 -0.60 0.95 1.08 -0.85 -2.33 117.51 117.76 3khu h ILE 237 Ca 0.20 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3khu h ILE 237 Cb 0.14 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 3khu h ILE 237 CO -0.02 0.19 0.40 0.77 -0.69 0.00 0.00 178.15 178.80 3khu h SER 238 N 0.86 0.61 -0.28 1.72 4.64 -0.18 0.17 113.55 121.08 3khu h SER 238 Ca 0.22 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 3khu h SER 238 Cb -0.01 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3khu h SER 238 CO -0.04 0.42 -0.33 0.00 -0.87 0.00 0.00 176.83 176.02 3khu h ALA 239 N 1.65 0.75 -0.53 5.18 0.00 -1.19 -1.89 119.26 123.23 3khu h ALA 239 Ca 0.24 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3khu h ALA 239 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3khu h ALA 239 CO -0.06 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.05 3khu h LEU 240 N 0.67 0.91 -0.48 0.00 5.85 -0.96 -2.39 115.31 118.91 3khu h LEU 240 Ca 0.07 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3khu h LEU 240 Cb 0.87 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3khu h LEU 240 CO 0.08 1.00 0.26 0.00 -0.34 0.00 0.00 178.44 179.44 3khu h GLU 242 N 0.63 0.00 0.00 0.00 5.08 -1.09 -1.29 114.58 117.91 3khu h GLU 242 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3khu h GLU 242 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3khu h GLU 242 CO -0.03 0.16 -0.22 0.00 -1.00 0.00 0.00 179.01 177.93 3khu h ALA 243 N 1.84 0.89 0.00 3.43 0.00 -0.92 -3.40 119.26 121.10 3khu h ALA 243 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3khu h ALA 243 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3khu h ALA 243 CO 0.02 0.10 -1.23 0.25 0.00 0.00 0.00 179.25 178.39 3khu n THR 244 N -3.06 0.22 0.00 0.00 -2.24 -0.75 -5.02 114.28 103.43 3khu n THR 244 Ca 0.03 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3khu n THR 244 Cb 0.57 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3khu n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khu n GLY 245 N 2.77 0.47 3.71 3.38 0.00 -0.54 -5.09 105.19 109.89 3khu n GLY 245 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3khu n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khu s ALA 246 N -2.00 1.69 -0.13 4.61 0.00 -1.23 -4.85 121.76 119.85 3khu s ALA 246 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.36 3khu s ALA 246 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3khu s ALA 246 CO 0.00 -2.39 -0.21 0.34 0.00 0.00 0.00 175.76 173.49 3khu s ASP 247 N -3.01 3.20 0.41 0.00 2.15 -1.26 -4.48 116.67 113.68 3khu s ASP 247 Ca 0.64 -0.56 0.12 0.00 0.43 0.00 0.00 52.55 53.18 3khu s ASP 247 Cb -0.20 -1.45 0.87 0.00 -0.30 0.00 0.00 42.92 41.83 3khu s ASP 247 CO 0.57 0.11 1.94 1.62 -0.17 0.00 0.00 175.17 179.24 3khu h VAL 248 N 5.75 1.17 -0.18 1.11 3.04 -1.58 -1.31 116.25 124.25 3khu h VAL 248 Ca -0.28 -0.77 -0.16 0.00 -1.01 0.00 0.00 66.70 64.48 3khu h VAL 248 Cb 1.21 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 3khu h VAL 248 CO 0.53 0.23 -0.53 -0.33 -1.01 0.00 0.00 177.57 176.45 3khu h GLU 249 N 0.10 0.53 -0.20 4.17 4.39 -1.93 0.13 114.58 121.77 3khu h GLU 249 Ca 0.02 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3khu h GLU 249 Cb 0.39 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3khu h GLU 249 CO 0.03 0.93 0.10 0.93 -1.16 0.00 0.00 179.01 179.84 3khu h GLU 250 N 0.41 0.28 -0.56 2.33 5.08 -1.74 -1.92 114.58 118.47 3khu h GLU 250 Ca 0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3khu h GLU 250 Cb 1.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3khu h GLU 250 CO 0.10 0.30 0.14 0.28 -1.00 0.00 0.00 179.01 178.82 3khu h VAL 251 N 0.19 1.25 -0.88 3.13 2.07 -1.14 -1.93 116.25 118.94 3khu h VAL 251 Ca 0.07 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3khu h VAL 251 Cb 0.11 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3khu h VAL 251 CO -0.01 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.48 3khu h ALA 252 N 1.02 1.12 -0.29 1.67 0.00 -0.73 -0.04 119.26 122.01 3khu h ALA 252 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3khu h ALA 252 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3khu h ALA 252 CO 0.00 0.53 0.04 1.15 0.00 0.00 0.00 179.25 180.97 3khu h THR 253 N 1.20 1.24 -0.41 0.00 2.02 -1.06 -0.83 112.91 115.06 3khu h THR 253 Ca 0.32 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3khu h THR 253 Cb -0.12 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3khu h THR 253 CO -0.07 0.26 0.21 0.00 0.37 0.00 0.00 175.52 176.30 3khu h ALA 254 N 0.87 0.53 0.15 6.16 0.00 -0.82 -2.10 119.26 124.05 3khu h ALA 254 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3khu h ALA 254 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3khu h ALA 254 CO 0.01 0.08 -0.07 0.82 0.00 0.00 0.00 179.25 180.08 3khu h ILE 255 N 0.53 0.90 0.00 0.00 2.04 -1.01 -3.18 117.51 116.79 3khu h ILE 255 Ca 0.14 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3khu h ILE 255 Cb 0.09 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3khu h ILE 255 CO -0.02 0.04 0.00 1.23 0.00 0.00 0.00 178.15 179.40 3khu h GLY 256 N -0.28 0.00 2.00 5.37 0.00 -0.82 -1.89 103.07 107.44 3khu h GLY 256 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3khu h GLY 256 CO 0.03 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.60 3khu n MET 257 N -2.52 0.14 -2.24 4.80 2.81 -0.82 -3.06 117.12 116.23 3khu n MET 257 Ca 0.00 0.13 -0.43 0.00 -1.81 0.00 0.00 57.70 55.59 3khu n MET 257 Cb 0.17 -1.67 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 3khu n MET 257 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3khu s ASP 258 N -3.83 6.42 0.22 7.83 -1.08 -0.71 -4.90 116.67 120.61 3khu s ASP 258 Ca 0.12 1.33 0.20 0.00 -0.52 0.00 0.00 52.55 53.68 3khu s ASP 258 Cb 0.15 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.99 3khu s ASP 258 CO 0.56 -1.27 1.62 0.00 0.52 0.00 0.00 175.17 176.59 3khu n GLN 259 N 7.69 0.14 0.18 4.34 6.02 -1.26 -0.71 117.38 133.79 3khu n GLN 259 Ca 0.18 0.45 0.07 0.00 -0.01 0.00 0.00 57.00 57.68 3khu n GLN 259 Cb 0.46 -1.82 0.19 0.00 1.02 0.00 0.00 30.24 30.09 3khu n GLN 259 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3khu h ARG 260 N 0.00 0.00 0.04 -1.09 3.08 -1.94 -3.32 114.38 111.15 3khu h ARG 260 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3khu h ARG 260 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3khu h ARG 260 CO 0.00 0.32 -2.20 -0.89 -1.07 0.00 0.00 179.97 176.13 3khu n ILE 261 N -3.25 1.59 0.00 2.04 5.41 -0.00 -5.11 119.36 120.05 3khu n ILE 261 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 3khu n ILE 261 Cb 0.60 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 3khu n ILE 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khu n GLY 262 N 1.91 -2.10 0.70 7.39 0.00 0.12 -4.82 105.19 108.39 3khu n GLY 262 Ca -0.41 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.17 3khu n GLY 262 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3khu n ASN 263 N -1.98 3.02 -4.92 1.61 0.23 -1.17 -4.34 115.26 107.71 3khu n ASN 263 Ca 0.00 -2.01 -0.28 0.00 -0.53 0.00 0.00 54.58 51.76 3khu n ASN 263 Cb 0.00 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.41 3khu n ASN 263 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3khu s LYS 264 N -1.02 3.54 -1.29 -3.83 -0.14 -1.26 -4.52 119.74 111.21 3khu s LYS 264 Ca 0.25 -0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.53 3khu s LYS 264 Cb 0.13 -2.83 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 3khu s LYS 264 CO 0.17 0.41 0.63 1.19 -0.76 0.00 0.00 175.35 176.99 3khu n PHE 265 N -0.53 -1.85 -1.69 3.18 0.99 -1.26 -4.90 117.46 111.40 3khu n PHE 265 Ca -0.04 0.54 0.06 0.00 -0.00 0.00 0.00 57.45 58.01 3khu n PHE 265 Cb 0.53 -4.10 0.18 0.00 -1.00 0.00 0.00 39.48 35.09 3khu n PHE 265 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3khu n LEU 266 N -3.67 2.44 -4.50 4.37 4.77 -1.26 -3.91 117.00 115.24 3khu n LEU 266 Ca -0.07 -3.58 -0.43 0.00 -0.03 0.00 0.00 56.01 51.90 3khu n LEU 266 Cb 0.59 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3khu n LEU 266 CO 0.44 1.23 0.37 -0.54 -1.33 0.00 0.00 177.39 177.57 3khu s LYS 267 N -2.76 3.24 0.67 3.23 1.02 -1.26 -4.87 119.74 119.01 3khu s LYS 267 Ca 0.37 -0.48 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 3khu s LYS 267 Cb 0.36 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 3khu s LYS 267 CO -0.08 -1.06 1.26 0.00 -0.92 0.00 0.00 175.35 174.55 3khu n ALA 268 N 6.27 0.94 -3.61 5.17 0.00 -1.26 -4.96 120.51 123.05 3khu n ALA 268 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 3khu n ALA 268 Cb 0.47 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 3khu n ALA 268 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3khu s SER 269 N -1.48 -0.06 0.53 0.00 1.04 -1.26 -4.76 113.70 107.71 3khu s SER 269 Ca 0.81 -0.89 0.29 0.00 0.48 0.00 0.00 55.95 56.64 3khu s SER 269 Cb -0.37 0.72 1.47 0.00 0.10 0.00 0.00 66.02 67.94 3khu s SER 269 CO 0.42 -1.39 2.06 1.62 0.98 0.00 0.00 173.24 176.93 3khu h VAL 270 N 2.07 0.45 0.00 5.02 3.04 -1.57 -3.46 116.25 121.79 3khu h VAL 270 Ca -0.25 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3khu h VAL 270 Cb 1.25 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3khu h VAL 270 CO 0.32 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.59 3khu n GLY 271 N -0.54 3.99 3.77 3.17 0.00 -1.26 -3.04 105.19 111.27 3khu n GLY 271 Ca -0.01 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3khu n GLY 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3khu s PHE 272 N -1.70 2.79 0.00 1.61 -0.12 -1.26 -4.47 117.98 114.83 3khu s PHE 272 Ca 0.00 1.48 0.00 0.00 -0.05 0.00 0.00 56.93 58.36 3khu s PHE 272 Cb 0.00 -3.53 0.00 0.00 -0.63 0.00 0.00 43.02 38.86 3khu s PHE 272 CO 0.00 -1.88 0.00 0.41 -0.05 0.00 0.00 175.22 173.70 3khu n GLY 273 N 0.58 5.81 0.00 1.99 0.00 -1.26 -4.70 105.19 107.62 3khu n GLY 273 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3khu n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khu n GLY 274 N 1.53 1.75 0.14 -0.02 0.00 0.87 -4.64 105.19 104.82 3khu n GLY 274 Ca 0.00 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.19 3khu n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khu n SER 275 N 0.00 0.47 -0.11 1.61 3.41 -1.26 -4.22 113.62 113.52 3khu n SER 275 Ca 0.00 -0.92 -0.16 0.00 -0.26 0.00 0.00 58.87 57.53 3khu n SER 275 Cb 0.00 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 3khu n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3khu h PHE 277 N -0.99 -0.37 -0.29 0.00 0.04 -1.82 0.44 116.94 113.94 3khu h PHE 277 Ca -0.26 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 3khu h PHE 277 Cb 1.21 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 3khu h PHE 277 CO -0.30 -0.03 0.16 0.37 -0.60 0.00 0.00 178.31 177.91 3khu h GLN 278 N -0.81 0.40 -0.30 1.51 4.15 -1.89 -1.08 115.11 117.09 3khu h GLN 278 Ca -0.04 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.38 3khu h GLN 278 Cb 0.51 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 3khu h GLN 278 CO 0.07 0.34 0.05 -0.22 -1.93 0.00 0.00 178.83 177.15 3khu h LYS 279 N 0.35 0.16 -0.27 1.69 3.64 -1.79 -0.86 116.57 119.49 3khu h LYS 279 Ca 0.10 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3khu h LYS 279 Cb 0.06 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3khu h LYS 279 CO -0.02 0.10 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.27 3khu h ASP 280 N 0.16 0.90 -0.45 4.20 3.32 -0.80 -1.28 116.42 122.48 3khu h ASP 280 Ca 0.14 -0.49 -0.14 0.00 0.02 0.00 0.00 57.03 56.56 3khu h ASP 280 Cb 0.16 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3khu h ASP 280 CO -0.19 1.27 -0.27 0.58 -1.72 0.00 0.00 179.24 178.91 3khu h VAL 281 N 0.62 1.27 -0.43 -1.35 2.07 -1.10 -1.32 116.25 116.01 3khu h VAL 281 Ca 0.01 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3khu h VAL 281 Cb 1.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3khu h VAL 281 CO 0.12 0.49 0.12 -0.07 0.02 0.00 0.00 177.57 178.25 3khu h LEU 282 N 0.82 0.57 -0.49 2.57 3.38 -1.07 -0.93 115.31 120.16 3khu h LEU 282 Ca 0.09 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3khu h LEU 282 Cb 0.85 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3khu h LEU 282 CO 0.08 0.56 -0.09 -1.13 0.09 0.00 0.00 178.44 177.94 3khu h ASN 283 N 0.61 0.93 -0.47 -0.43 -0.73 -0.91 -0.80 115.58 113.79 3khu h ASN 283 Ca 0.14 -0.35 0.01 0.00 1.87 0.00 0.00 56.30 57.97 3khu h ASN 283 Cb 0.21 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 3khu h ASN 283 CO -0.01 1.07 0.31 0.25 -0.37 0.00 0.00 177.43 178.68 3khu h LEU 284 N 0.79 0.54 -0.33 0.34 5.85 -0.80 0.40 115.31 122.09 3khu h LEU 284 Ca 0.13 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3khu h LEU 284 Cb 0.64 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3khu h LEU 284 CO 0.04 0.39 0.17 0.58 -0.34 0.00 0.00 178.44 179.28 3khu h VAL 285 N 0.64 1.00 -0.32 1.05 2.07 -0.96 -1.64 116.25 118.09 3khu h VAL 285 Ca 0.17 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3khu h VAL 285 Cb -0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3khu h VAL 285 CO -0.04 0.06 0.16 0.22 0.02 0.00 0.00 177.57 177.99 3khu h TYR 286 N 0.36 0.29 -0.96 1.57 3.20 -0.81 -1.53 116.97 119.08 3khu h TYR 286 Ca 0.14 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.15 3khu h TYR 286 Cb 0.04 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.14 3khu h TYR 286 CO -0.09 0.15 0.58 1.25 -1.64 0.00 0.00 178.16 178.42 3khu h LEU 287 N 0.33 0.82 -0.45 2.82 5.85 -0.58 -0.44 115.31 123.65 3khu h LEU 287 Ca 0.13 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3khu h LEU 287 Cb 0.05 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3khu h LEU 287 CO -0.10 0.41 -0.07 0.00 -0.34 0.00 0.00 178.44 178.35 3khu h GLU 289 N 0.68 0.69 0.00 0.00 5.08 -0.46 0.14 114.58 120.71 3khu h GLU 289 Ca 0.12 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3khu h GLU 289 Cb 0.60 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3khu h GLU 289 CO 0.04 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 178.56 3khu h ALA 290 N 1.02 1.67 -0.57 3.43 0.00 -1.00 -2.06 119.26 121.75 3khu h ALA 290 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3khu h ALA 290 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khu h ALA 290 CO -0.01 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3khu n LEU 291 N -4.21 3.98 -3.55 0.00 4.77 -0.71 -4.92 117.00 112.35 3khu n LEU 291 Ca -0.02 -2.00 -0.22 0.00 -0.03 0.00 0.00 56.01 53.73 3khu n LEU 291 Cb 0.20 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3khu n LEU 291 CO 0.34 0.73 0.19 0.59 -1.33 0.00 0.00 177.39 177.92 3khu n ASN 292 N 1.02 -4.82 -3.34 -1.43 3.02 -0.78 -4.96 115.26 103.97 3khu n ASN 292 Ca 0.22 -0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 3khu n ASN 292 Cb 0.73 -5.03 -0.06 0.00 -0.61 0.00 0.00 39.78 34.81 3khu n ASN 292 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3khu n LEU 293 N -4.70 4.22 0.19 3.41 4.77 0.44 -4.92 117.00 120.41 3khu n LEU 293 Ca -0.10 -5.49 0.04 0.00 -0.03 0.00 0.00 56.01 50.43 3khu n LEU 293 Cb 0.60 -0.69 0.38 0.00 -2.33 0.00 0.00 43.42 41.38 3khu n LEU 293 CO 0.64 2.11 0.73 1.55 -1.33 0.00 0.00 177.39 181.09 3khu h PRO 294 N 3.95 0.00 -0.20 3.23 0.13 -1.90 -1.47 132.00 135.74 3khu h PRO 294 Ca 0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.22 3khu h PRO 294 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3khu h PRO 294 CO 0.88 0.36 -0.30 0.93 -0.23 0.00 0.00 178.00 179.64 3khu h GLU 295 N 0.00 0.40 0.01 0.86 3.07 -1.95 -0.41 114.58 116.55 3khu h GLU 295 Ca -0.00 -0.16 -0.25 0.00 -0.50 0.00 0.00 59.36 58.45 3khu h GLU 295 Cb 0.69 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3khu h GLU 295 CO 0.05 0.66 -1.01 0.28 -1.40 0.00 0.00 179.01 177.58 3khu h VAL 296 N 0.35 1.33 -0.05 3.13 2.07 -1.79 -2.65 116.25 118.63 3khu h VAL 296 Ca 0.05 -2.34 0.02 0.00 0.82 0.00 0.00 66.70 65.25 3khu h VAL 296 Cb 0.70 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 3khu h VAL 296 CO 0.05 0.71 -0.09 0.00 0.02 0.00 0.00 177.57 178.27 3khu h ALA 297 N 0.54 -0.05 -0.27 1.67 0.00 -0.99 -1.76 119.26 118.40 3khu h ALA 297 Ca -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3khu h ALA 297 Cb 1.66 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 3khu h ALA 297 CO 0.19 -0.56 -0.08 0.00 0.00 0.00 0.00 179.25 178.80 3khu h ARG 298 N -0.13 0.43 0.08 0.00 3.08 -1.13 -0.30 114.38 116.41 3khu h ARG 298 Ca 0.05 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3khu h ARG 298 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3khu h ARG 298 CO -0.13 0.52 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.34 3khu h TYR 299 N 0.41 -0.10 0.00 3.04 3.20 -1.07 -3.09 116.97 119.36 3khu h TYR 299 Ca 0.08 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 3khu h TYR 299 Cb 0.40 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3khu h TYR 299 CO 0.01 0.08 -0.45 -1.49 -1.64 0.00 0.00 178.16 174.67 3khu h TRP 300 N -0.27 0.00 -0.19 -3.82 4.06 -1.07 -3.14 115.95 111.52 3khu h TRP 300 Ca -0.01 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.97 3khu h TRP 300 Cb 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3khu h TRP 300 CO -0.02 0.45 0.13 0.37 -3.56 0.00 0.00 178.44 175.81 3khu h GLN 301 N 0.00 0.09 -0.01 0.49 5.75 -1.02 -1.60 115.11 118.81 3khu h GLN 301 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3khu h GLN 301 Cb 1.16 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 3khu h GLN 301 CO 0.06 0.06 0.01 1.96 -2.65 0.00 0.00 178.83 178.27 3khu h GLN 302 N 0.09 0.00 -0.60 1.69 1.08 -1.48 -0.31 115.11 115.57 3khu h GLN 302 Ca 0.08 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3khu h GLN 302 Cb 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3khu h GLN 302 CO -0.01 0.00 0.35 0.28 -0.95 0.00 0.00 178.83 178.50 3khu h VAL 303 N 0.00 1.19 -0.07 -0.54 2.07 -1.48 -1.50 116.25 115.92 3khu h VAL 303 Ca 0.01 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3khu h VAL 303 Cb 0.03 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3khu h VAL 303 CO -0.00 0.20 -0.27 0.40 0.02 0.00 0.00 177.57 177.91 3khu h ILE 304 N 0.82 1.43 -0.74 4.57 1.08 -1.34 -2.79 117.51 120.53 3khu h ILE 304 Ca 0.22 -1.67 0.07 0.00 -0.39 0.00 0.00 64.86 63.08 3khu h ILE 304 Cb 0.01 2.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 3khu h ILE 304 CO -0.04 0.48 0.49 0.44 -0.69 0.00 0.00 178.15 178.83 3khu h ASP 305 N -0.20 0.67 -0.09 1.72 3.32 -1.08 0.31 116.42 121.07 3khu h ASP 305 Ca -0.01 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 3khu h ASP 305 Cb 0.91 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.33 3khu h ASP 305 CO 0.06 0.43 -0.74 -0.03 -1.72 0.00 0.00 179.24 177.24 3khu h MET 306 N 0.76 0.74 -0.91 3.56 4.05 -1.31 -1.01 114.93 120.81 3khu h MET 306 Ca 0.32 -0.58 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3khu h MET 306 Cb 0.28 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 3khu h MET 306 CO -0.11 1.20 0.56 -0.97 0.23 0.00 0.00 176.91 177.81 3khu h ASN 307 N 0.51 1.08 -0.10 1.39 -1.24 -1.16 0.91 115.58 116.97 3khu h ASN 307 Ca -0.04 -0.06 -0.13 0.00 0.71 0.00 0.00 56.30 56.78 3khu h ASN 307 Cb 1.36 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 3khu h ASN 307 CO 0.15 0.82 -0.36 0.44 -1.29 0.00 0.00 177.43 177.19 3khu h ASP 308 N 1.25 0.64 -0.28 1.15 3.32 -0.76 -2.34 116.42 119.40 3khu h ASP 308 Ca 0.33 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3khu h ASP 308 Cb -0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3khu h ASP 308 CO -0.06 0.94 -0.35 0.22 -1.72 0.00 0.00 179.24 178.26 3khu h TYR 309 N 0.51 0.90 -0.66 4.55 3.20 -0.87 -1.40 116.97 123.19 3khu h TYR 309 Ca 0.05 -0.29 0.07 0.00 3.14 0.00 0.00 58.73 61.70 3khu h TYR 309 Cb 0.86 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3khu h TYR 309 CO 0.04 1.06 0.35 0.37 -1.64 0.00 0.00 178.16 178.33 3khu h GLN 310 N 0.48 0.61 -0.19 1.82 5.75 -0.66 0.11 115.11 123.03 3khu h GLN 310 Ca 0.03 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3khu h GLN 310 Cb 0.94 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 3khu h GLN 310 CO 0.08 0.41 0.02 0.00 -2.65 0.00 0.00 178.83 176.69 3khu h ARG 311 N 0.63 0.32 -0.59 1.69 3.08 -1.31 -2.60 114.38 115.59 3khu h ARG 311 Ca 0.31 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3khu h ARG 311 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3khu h ARG 311 CO -0.21 0.49 0.18 -0.09 -1.07 0.00 0.00 179.97 179.27 3khu h ARG 312 N 0.10 0.93 -0.04 0.04 2.43 -0.71 -1.27 114.38 115.86 3khu h ARG 312 Ca 0.06 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3khu h ARG 312 Cb 0.33 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3khu h ARG 312 CO 0.00 0.84 -0.62 0.07 -1.51 0.00 0.00 179.97 178.75 3khu h ARG 313 N 0.85 0.16 0.20 0.20 0.11 -0.83 0.11 114.38 115.17 3khu h ARG 313 Ca 0.19 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 3khu h ARG 313 Cb 0.30 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3khu h ARG 313 CO -0.00 0.72 -0.10 0.35 0.10 0.00 0.00 179.97 181.04 3khu h PHE 314 N 0.11 -0.25 -0.83 4.08 3.57 -1.19 -0.79 116.94 121.64 3khu h PHE 314 Ca -0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3khu h PHE 314 Cb 1.12 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 3khu h PHE 314 CO 0.01 -0.16 0.49 0.00 -2.23 0.00 0.00 178.31 176.43 3khu h ALA 315 N 0.53 1.18 -0.20 2.41 0.00 -0.91 -1.92 119.26 120.35 3khu h ALA 315 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3khu h ALA 315 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3khu h ALA 315 CO 0.05 0.14 -0.19 0.77 0.00 0.00 0.00 179.25 180.02 3khu h SER 316 N 0.84 0.33 -0.39 0.00 0.02 -0.53 -1.60 113.55 112.22 3khu h SER 316 Ca 0.39 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3khu h SER 316 Cb 0.31 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3khu h SER 316 CO -0.23 0.54 0.17 0.03 -1.14 0.00 0.00 176.83 176.20 3khu h ARG 317 N 0.31 0.58 -0.26 3.45 3.08 -0.36 0.49 114.38 121.67 3khu h ARG 317 Ca 0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3khu h ARG 317 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3khu h ARG 317 CO 0.03 0.54 0.14 0.82 -1.07 0.00 0.00 179.97 180.43 3khu h ILE 318 N 0.49 1.12 -0.39 2.04 2.04 -1.02 0.15 117.51 121.94 3khu h ILE 318 Ca 0.13 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 3khu h ILE 318 Cb 0.16 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3khu h ILE 318 CO -0.01 0.12 -0.17 0.40 0.00 0.00 0.00 178.15 178.48 3khu h ILE 319 N 0.31 1.28 -0.66 -0.67 2.04 -1.13 -2.25 117.51 116.43 3khu h ILE 319 Ca 0.09 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 3khu h ILE 319 Cb 0.06 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3khu h ILE 319 CO -0.02 0.43 0.38 0.44 0.00 0.00 0.00 178.15 179.39 3khu h ASP 320 N 0.61 0.81 0.03 1.72 3.32 -0.78 0.44 116.42 122.57 3khu h ASP 320 Ca 0.09 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3khu h ASP 320 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3khu h ASP 320 CO 0.05 0.65 -0.07 0.28 -1.72 0.00 0.00 179.24 178.44 3khu h SER 321 N 0.90 0.10 -0.74 6.45 0.02 -0.56 -1.19 113.55 118.53 3khu h SER 321 Ca 0.24 -0.01 -0.41 0.00 -0.84 0.00 0.00 61.79 60.76 3khu h SER 321 Cb 0.01 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 62.30 3khu h SER 321 CO -0.04 0.19 0.52 0.18 -1.14 0.00 0.00 176.83 176.54 3khu n LEU 322 N -4.39 6.06 -1.32 5.07 4.77 -0.88 -4.89 117.00 121.41 3khu n LEU 322 Ca -0.02 -3.22 -0.13 0.00 -0.03 0.00 0.00 56.01 52.61 3khu n LEU 322 Cb 0.18 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 3khu n LEU 322 CO 0.36 1.00 -0.15 0.49 -1.33 0.00 0.00 177.39 177.76 3khu n PHE 323 N -0.63 -0.43 -1.53 -1.77 0.99 -0.45 -2.73 117.46 110.92 3khu n PHE 323 Ca 0.45 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.72 3khu n PHE 323 Cb 1.21 -2.68 -0.08 0.00 -1.00 0.00 0.00 39.48 36.93 3khu n PHE 323 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3khu n ASN 324 N -0.33 -5.37 -3.79 4.37 5.15 0.12 -4.96 115.26 110.45 3khu n ASN 324 Ca -0.14 0.45 -0.18 0.00 -0.60 0.00 0.00 54.58 54.10 3khu n ASN 324 Cb 0.56 -4.47 -0.17 0.00 -0.53 0.00 0.00 39.78 35.17 3khu n ASN 324 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3khu s THR 325 N -2.61 0.15 0.00 -0.44 -1.32 -1.10 -4.99 115.64 105.32 3khu s THR 325 Ca 0.00 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 3khu s THR 325 Cb 0.00 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 3khu s THR 325 CO 0.00 0.16 0.51 0.52 -2.21 0.00 0.00 174.62 173.60 3khu n VAL 326 N 4.46 0.23 -1.66 5.08 0.31 -1.26 -4.84 118.33 120.64 3khu n VAL 326 Ca -0.20 -0.44 -0.49 0.00 -0.01 0.00 0.00 64.34 63.19 3khu n VAL 326 Cb 0.50 1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 34.49 3khu n VAL 326 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3khu n THR 327 N -0.12 0.21 -1.06 2.52 -1.04 -0.97 -1.11 114.28 112.72 3khu n THR 327 Ca 0.00 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 3khu n THR 327 Cb 0.17 -1.48 -0.01 0.00 -1.82 0.00 0.00 70.33 67.19 3khu n THR 327 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3khu n ASP 328 N 4.46 -5.44 -4.74 8.00 8.00 0.45 -4.92 116.55 122.36 3khu n ASP 328 Ca 0.20 0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 3khu n ASP 328 Cb 0.26 -3.12 -0.05 0.00 -0.02 0.00 0.00 41.12 38.18 3khu n ASP 328 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3khu s LYS 329 N -1.88 4.44 -0.05 -1.24 1.02 -0.27 -4.71 119.74 117.07 3khu s LYS 329 Ca 0.00 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 3khu s LYS 329 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3khu s LYS 329 CO 0.00 0.24 1.06 0.21 -0.92 0.00 0.00 175.35 175.93 3khu s LYS 330 N 0.16 4.45 -0.05 1.68 2.20 -1.26 -0.81 119.74 126.10 3khu s LYS 330 Ca 0.37 1.49 0.01 0.00 -0.36 0.00 0.00 55.97 57.48 3khu s LYS 330 Cb -0.19 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3khu s LYS 330 CO 0.21 -0.26 -0.06 0.42 -0.36 0.00 0.00 175.35 175.30 3khu s ILE 331 N 1.66 0.70 -0.14 5.43 1.01 -0.25 -0.95 121.20 128.67 3khu s ILE 331 Ca 0.52 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 3khu s ILE 331 Cb -0.21 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3khu s ILE 331 CO 0.23 0.27 0.70 0.00 0.00 0.00 0.00 174.94 176.13 3khu s ALA 332 N 0.93 3.46 -0.36 9.38 0.00 -0.65 -1.49 121.76 133.03 3khu s ALA 332 Ca -0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 3khu s ALA 332 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3khu s ALA 332 CO 0.00 -0.39 0.21 0.42 0.00 0.00 0.00 175.76 176.00 3khu s ILE 333 N 1.50 4.69 -0.40 0.00 -1.09 0.13 -0.68 121.20 125.35 3khu s ILE 333 Ca 0.34 -0.71 -0.13 0.00 -2.23 0.00 0.00 60.65 57.92 3khu s ILE 333 Cb -0.17 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3khu s ILE 333 CO 0.14 -0.17 0.27 -0.76 -1.23 0.00 0.00 174.94 173.19 3khu s LEU 334 N 1.59 5.02 0.00 2.97 1.43 -0.04 -1.12 118.68 128.53 3khu s LEU 334 Ca 0.03 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3khu s LEU 334 Cb -0.19 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3khu s LEU 334 CO 0.07 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3khu n GLY 335 N 5.08 2.07 0.00 -3.19 0.00 0.11 -1.37 105.19 107.90 3khu n GLY 335 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3khu n GLY 335 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3khu n PHE 336 N 2.01 0.00 -0.98 1.61 7.35 -1.26 -4.23 117.46 121.95 3khu n PHE 336 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 3khu n PHE 336 Cb 0.00 0.00 0.14 0.00 0.35 0.00 0.00 39.48 39.97 3khu n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3khu n ALA 337 N -1.45 -0.29 0.34 3.13 0.00 -1.26 -4.58 120.51 116.40 3khu n ALA 337 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.19 3khu n ALA 337 Cb 0.23 -2.22 0.53 0.00 0.00 0.00 0.00 19.45 17.98 3khu n ALA 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3khu h PHE 338 N -1.18 0.00 -2.99 0.00 -5.15 -1.71 -3.44 116.94 102.47 3khu h PHE 338 Ca -0.45 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.36 3khu h PHE 338 Cb 1.29 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.43 3khu h PHE 338 CO 0.47 0.00 0.25 -1.59 -2.00 0.00 0.00 178.31 175.44 3khu s LYS 339 N -3.44 1.92 0.80 6.09 -2.85 -1.26 -4.48 119.74 116.51 3khu s LYS 339 Ca 0.04 -1.12 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 3khu s LYS 339 Cb 0.09 0.61 0.07 0.00 -2.06 0.00 0.00 37.83 36.54 3khu s LYS 339 CO 0.51 -0.88 1.09 -1.59 0.10 0.00 0.00 175.35 174.58 3khu s LYS 340 N -3.42 2.05 -1.14 1.78 -2.85 -1.26 -4.27 119.74 110.62 3khu s LYS 340 Ca 0.12 0.73 -0.05 0.00 -1.00 0.00 0.00 55.97 55.77 3khu s LYS 340 Cb -0.06 -1.91 0.01 0.00 -2.06 0.00 0.00 37.83 33.81 3khu s LYS 340 CO 0.08 -1.67 0.68 -0.25 0.10 0.00 0.00 175.35 174.29 3khu n ASP 341 N -3.48 -5.26 -3.45 0.03 8.00 -1.26 -4.99 116.55 106.13 3khu n ASP 341 Ca 0.07 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.13 3khu n ASP 341 Cb 0.56 -4.00 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 3khu n ASP 341 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3khu s THR 342 N -3.13 0.00 -2.54 -3.53 -1.32 -1.26 -4.86 115.64 99.00 3khu s THR 342 Ca 0.34 -0.04 0.23 0.00 -1.21 0.00 0.00 61.69 61.01 3khu s THR 342 Cb -0.15 -1.01 0.09 0.00 -1.51 0.00 0.00 72.50 69.93 3khu s THR 342 CO 0.42 -0.02 1.18 0.61 -2.21 0.00 0.00 174.62 174.59 3khu n GLY 343 N -0.13 0.54 3.73 6.08 0.00 -1.26 -4.60 105.19 109.54 3khu n GLY 343 Ca -0.17 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 3khu n GLY 343 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khu s ASP 344 N -2.23 6.94 0.00 1.61 -1.08 -1.26 -4.55 116.67 116.09 3khu s ASP 344 Ca 0.23 2.32 0.07 0.00 -0.52 0.00 0.00 52.55 54.65 3khu s ASP 344 Cb 0.19 -2.60 0.16 0.00 -1.46 0.00 0.00 42.92 39.21 3khu s ASP 344 CO 0.43 -0.52 1.06 0.35 0.52 0.00 0.00 175.17 177.01 3khu n THR 345 N 2.97 0.76 -1.92 1.71 -2.24 -1.26 -2.16 114.28 112.13 3khu n THR 345 Ca 0.07 -0.88 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 3khu n THR 345 Cb 0.43 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 3khu n THR 345 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3khu s ARG 346 N -0.90 4.20 -0.99 -0.78 0.52 -1.26 -1.60 118.95 118.13 3khu s ARG 346 Ca 0.13 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 3khu s ARG 346 Cb 0.07 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.08 3khu s ARG 346 CO 0.10 -0.70 0.00 0.39 0.02 0.00 0.00 175.30 175.11 3khu n GLU 347 N 5.10 -2.17 -2.08 3.54 -0.58 -1.26 -0.09 120.64 123.09 3khu n GLU 347 Ca 0.15 0.56 -0.41 0.00 -0.42 0.00 0.00 57.16 57.04 3khu n GLU 347 Cb 0.40 -5.11 -0.02 0.00 -0.57 0.00 0.00 31.44 26.14 3khu n GLU 347 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3khu s SER 348 N -2.02 6.74 0.55 1.62 0.15 -0.63 -3.86 113.70 116.25 3khu s SER 348 Ca 0.00 2.60 0.25 0.00 0.70 0.00 0.00 55.95 59.50 3khu s SER 348 Cb 0.00 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.15 3khu s SER 348 CO 0.00 -0.63 2.04 0.28 1.20 0.00 0.00 173.24 176.14 3khu h SER 349 N 4.89 0.00 -0.57 5.45 0.02 -1.84 -0.34 113.55 121.17 3khu h SER 349 Ca -0.46 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 3khu h SER 349 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3khu h SER 349 CO 0.76 0.00 0.38 0.28 -1.14 0.00 0.00 176.83 177.10 3khu h SER 350 N 0.00 0.55 -0.39 3.07 0.02 -1.85 0.02 113.55 114.96 3khu h SER 350 Ca 0.16 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3khu h SER 350 Cb 0.71 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3khu h SER 350 CO -0.00 0.38 0.18 0.40 -1.14 0.00 0.00 176.83 176.65 3khu h ILE 351 N 0.64 1.18 -0.13 3.27 2.04 -1.33 -0.42 117.51 122.75 3khu h ILE 351 Ca 0.23 -0.52 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 3khu h ILE 351 Cb 0.12 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3khu h ILE 351 CO -0.06 0.19 -0.53 1.88 0.00 0.00 0.00 178.15 179.63 3khu h TYR 352 N 0.49 0.78 -0.48 1.37 -1.99 -1.43 0.51 116.97 116.23 3khu h TYR 352 Ca 0.13 -0.33 -0.00 0.00 2.00 0.00 0.00 58.73 60.53 3khu h TYR 352 Cb 0.14 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 3khu h TYR 352 CO -0.01 1.12 0.29 0.82 -0.00 0.00 0.00 178.16 180.38 3khu h ILE 353 N 0.22 1.14 -0.48 -2.88 1.08 -0.99 -0.51 117.51 115.10 3khu h ILE 353 Ca -0.03 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3khu h ILE 353 Cb 1.16 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3khu h ILE 353 CO 0.11 0.14 0.28 0.28 -0.69 0.00 0.00 178.15 178.27 3khu h SER 354 N 0.64 0.59 -0.66 1.72 0.02 -0.93 -2.33 113.55 112.58 3khu h SER 354 Ca 0.17 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3khu h SER 354 Cb -0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3khu h SER 354 CO -0.03 0.49 0.34 0.11 -1.14 0.00 0.00 176.83 176.59 3khu h LYS 355 N 0.64 0.97 -0.95 3.45 1.57 -0.45 0.49 116.57 122.28 3khu h LYS 355 Ca 0.17 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3khu h LYS 355 Cb 0.02 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 3khu h LYS 355 CO -0.03 0.74 0.61 1.88 -0.57 0.00 0.00 179.45 182.08 3khu h TYR 356 N 0.97 1.22 -0.11 -1.35 0.99 -0.66 -1.39 116.97 116.63 3khu h TYR 356 Ca 0.24 0.02 -0.21 0.00 2.00 0.00 0.00 58.73 60.78 3khu h TYR 356 Cb 0.08 -0.41 0.00 0.00 1.00 0.00 0.00 36.73 37.41 3khu h TYR 356 CO 0.01 0.78 -0.77 -0.07 -0.00 0.00 0.00 178.16 178.11 3khu h LEU 357 N 1.30 0.70 -1.00 3.88 3.38 -0.87 -2.81 115.31 119.89 3khu h LEU 357 Ca 0.35 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3khu h LEU 357 Cb -0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 3khu h LEU 357 CO -0.07 1.24 0.65 0.24 0.09 0.00 0.00 178.44 180.59 3khu h MET 358 N 0.39 1.23 -0.00 1.13 2.86 -0.77 -0.71 114.93 119.06 3khu h MET 358 Ca -0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3khu h MET 358 Cb 1.37 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 3khu h MET 358 CO 0.14 0.81 0.01 -0.44 1.06 0.00 0.00 176.91 178.50 3khu h ASP 359 N 1.26 0.00 -0.15 1.22 3.32 -0.99 0.12 116.42 121.21 3khu h ASP 359 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3khu h ASP 359 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3khu h ASP 359 CO -0.13 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.77 3khu n GLU 360 N -3.35 2.04 -1.44 3.56 -0.58 -0.33 -4.95 120.64 115.59 3khu n GLU 360 Ca -0.03 -1.55 -0.01 0.00 -0.42 0.00 0.00 57.16 55.16 3khu n GLU 360 Cb 0.09 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3khu n GLU 360 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3khu n GLY 361 N 1.28 0.41 3.78 0.62 0.00 0.43 -2.29 105.19 109.42 3khu n GLY 361 Ca 0.17 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 3khu n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khu s ALA 362 N -2.05 2.84 -0.62 4.61 0.00 -0.87 -0.41 121.76 125.26 3khu s ALA 362 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 3khu s ALA 362 Cb 0.00 -3.35 0.11 0.00 0.00 0.00 0.00 23.12 19.88 3khu s ALA 362 CO 0.00 -0.64 0.72 -1.01 0.00 0.00 0.00 175.76 174.83 3khu s HIS 363 N -1.71 3.05 0.07 0.00 3.76 0.01 -4.70 115.29 115.77 3khu s HIS 363 Ca 0.68 -1.06 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 3khu s HIS 363 Cb -0.24 -4.01 -0.06 0.00 1.11 0.00 0.00 32.58 29.37 3khu s HIS 363 CO 0.29 -1.28 0.72 -0.51 -0.85 0.00 0.00 174.74 173.11 3khu s LEU 364 N 2.51 4.48 -0.25 0.89 1.43 0.17 -1.09 118.68 126.83 3khu s LEU 364 Ca 0.13 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3khu s LEU 364 Cb -0.23 -3.16 0.05 0.00 0.03 0.00 0.00 46.19 42.88 3khu s LEU 364 CO 0.04 0.10 -0.11 -1.00 0.23 0.00 0.00 176.35 175.61 3khu s HIS 365 N -0.41 3.15 -0.18 0.29 3.76 -0.55 -0.70 115.29 120.64 3khu s HIS 365 Ca 0.36 -2.08 -0.06 0.00 -0.15 0.00 0.00 55.06 53.13 3khu s HIS 365 Cb -0.21 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 3khu s HIS 365 CO 0.22 -0.84 0.02 0.42 -0.85 0.00 0.00 174.74 173.70 3khu s ILE 366 N 1.17 4.24 -0.08 0.60 1.01 -0.05 -0.69 121.20 127.41 3khu s ILE 366 Ca -0.05 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3khu s ILE 366 Cb -0.18 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3khu s ILE 366 CO -0.06 0.45 -0.18 -0.47 0.00 0.00 0.00 174.94 174.67 3khu s TYR 367 N 0.65 2.03 -0.03 3.97 5.04 -0.27 -0.92 117.35 127.82 3khu s TYR 367 Ca 0.01 -0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 53.82 3khu s TYR 367 Cb -0.14 -1.40 0.01 0.00 0.35 0.00 0.00 41.96 40.78 3khu s TYR 367 CO 0.02 -0.34 0.08 0.34 -1.34 0.00 0.00 175.55 174.31 3khu s ASP 368 N 0.47 -0.07 0.01 4.32 -1.08 -1.26 -0.71 116.67 118.35 3khu s ASP 368 Ca -0.16 0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.23 3khu s ASP 368 Cb -0.17 0.14 0.87 0.00 -1.46 0.00 0.00 42.92 42.31 3khu s ASP 368 CO 0.06 -0.04 1.65 -0.81 0.52 0.00 0.00 175.17 176.55 3khu n PRO 369 N 3.22 0.01 0.00 4.34 -0.04 -1.26 -4.27 135.00 137.00 3khu n PRO 369 Ca -0.15 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3khu n PRO 369 Cb 0.58 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3khu n PRO 369 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3khu n LYS 370 N -1.54 1.76 -2.12 0.54 3.00 -1.26 -5.05 118.16 113.49 3khu n LYS 370 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 3khu n LYS 370 Cb 0.24 -0.67 -0.03 0.00 0.00 0.00 0.00 35.03 34.57 3khu n LYS 370 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3khu s VAL 371 N -1.26 3.22 0.42 3.15 1.01 -1.26 -4.70 120.40 120.99 3khu s VAL 371 Ca 0.00 0.84 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 3khu s VAL 371 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3khu s VAL 371 CO 0.00 0.05 1.21 -2.84 0.00 0.00 0.00 175.10 173.52 3khu s PRO 372 N 1.42 3.93 0.47 2.72 0.02 -1.26 -4.84 135.00 137.45 3khu s PRO 372 Ca 0.66 1.93 0.12 0.00 0.02 0.00 0.00 61.00 63.74 3khu s PRO 372 Cb -0.38 -2.63 1.09 0.00 0.02 0.00 0.00 34.50 32.61 3khu s PRO 372 CO 0.30 -0.46 2.10 0.07 -0.33 0.00 0.00 177.00 178.69 3khu h ARG 373 N 2.48 0.23 -0.13 5.54 0.11 -1.97 -2.05 114.38 118.58 3khu h ARG 373 Ca -0.49 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.48 3khu h ARG 373 Cb 1.24 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 3khu h ARG 373 CO 0.62 0.16 -0.33 0.93 0.10 0.00 0.00 179.97 181.44 3khu h GLU 374 N 0.23 0.25 -0.32 0.08 3.07 -2.00 -2.03 114.58 113.86 3khu h GLU 374 Ca 0.06 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 3khu h GLU 374 Cb -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3khu h GLU 374 CO -0.01 0.56 -0.48 0.37 -1.40 0.00 0.00 179.01 178.04 3khu h GLN 375 N 0.22 0.87 -0.54 2.33 5.75 -1.76 -1.75 115.11 120.23 3khu h GLN 375 Ca 0.03 -0.52 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3khu h GLN 375 Cb 0.70 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 3khu h GLN 375 CO 0.05 1.16 0.34 0.82 -2.65 0.00 0.00 178.83 178.55 3khu h ILE 376 N 0.69 1.15 -0.61 2.39 2.04 -1.30 0.58 117.51 122.44 3khu h ILE 376 Ca 0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3khu h ILE 376 Cb 1.08 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3khu h ILE 376 CO 0.11 0.15 0.29 0.58 0.00 0.00 0.00 178.15 179.28 3khu h VAL 377 N 0.73 1.22 -0.30 1.67 2.07 -1.27 -1.96 116.25 118.40 3khu h VAL 377 Ca 0.20 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3khu h VAL 377 Cb -0.05 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3khu h VAL 377 CO -0.04 0.25 0.06 0.58 0.02 0.00 0.00 177.57 178.44 3khu h VAL 378 N 0.84 1.22 -0.48 2.57 2.07 -0.84 -2.62 116.25 119.01 3khu h VAL 378 Ca 0.21 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3khu h VAL 378 Cb 0.13 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3khu h VAL 378 CO -0.03 0.25 0.28 0.44 0.02 0.00 0.00 177.57 178.53 3khu h ASP 379 N 0.32 0.58 -0.13 0.57 3.32 -0.61 -2.25 116.42 118.22 3khu h ASP 379 Ca 0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3khu h ASP 379 Cb 0.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3khu h ASP 379 CO 0.00 0.46 0.00 0.18 -1.72 0.00 0.00 179.24 178.16 3khu n LEU 380 N -4.42 2.16 -4.91 1.55 4.77 -0.76 -4.94 117.00 110.44 3khu n LEU 380 Ca 0.04 -0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 54.91 3khu n LEU 380 Cb 0.09 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3khu n LEU 380 CO 0.36 0.41 0.14 -0.44 -1.33 0.00 0.00 177.39 176.53 3khu s SER 381 N -1.78 6.46 0.12 -1.43 0.01 -0.85 -4.71 113.70 111.52 3khu s SER 381 Ca 0.34 0.65 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 3khu s SER 381 Cb 0.20 -2.11 -0.07 0.00 0.21 0.00 0.00 66.02 64.25 3khu s SER 381 CO 0.30 -0.11 1.15 -1.00 0.41 0.00 0.00 173.24 173.99 3khu s HIS 382 N -1.95 3.50 0.19 2.43 3.76 -1.26 -4.95 115.29 117.02 3khu s HIS 382 Ca 0.43 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.48 3khu s HIS 382 Cb -0.11 -3.35 -0.16 0.00 1.11 0.00 0.00 32.58 30.07 3khu s HIS 382 CO 0.28 -0.96 0.94 -2.30 -0.85 0.00 0.00 174.74 171.86 3khu n PRO 383 N 3.13 0.79 0.00 8.40 -0.01 -1.26 -1.04 135.00 145.02 3khu n PRO 383 Ca 0.06 0.28 0.00 0.00 -0.01 0.00 0.00 63.50 63.83 3khu n PRO 383 Cb 0.46 -1.61 0.00 0.00 -0.01 0.00 0.00 33.50 32.34 3khu n PRO 383 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3khu n GLY 384 N 1.75 1.25 3.61 -1.23 0.00 -1.26 -4.92 105.19 104.39 3khu n GLY 384 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3khu n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khu s VAL 385 N -0.16 3.56 -0.02 1.61 0.11 -0.21 -4.92 120.40 120.37 3khu s VAL 385 Ca 0.00 0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 59.56 3khu s VAL 385 Cb 0.00 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 3khu s VAL 385 CO 0.00 -0.35 0.54 0.28 -3.33 0.00 0.00 175.10 172.24 3khu h SER 386 N 11.82 -0.30 -2.66 3.54 0.02 -1.91 -3.37 113.55 120.69 3khu h SER 386 Ca -0.34 0.01 -0.77 0.00 -0.84 0.00 0.00 61.79 59.84 3khu h SER 386 Cb 1.16 0.08 -0.23 0.00 0.14 0.00 0.00 62.40 63.55 3khu h SER 386 CO 1.01 -0.02 1.05 -0.62 -1.14 0.00 0.00 176.83 177.12 3khu n GLU 387 N -4.02 3.66 -1.74 3.45 4.71 -1.26 -5.03 120.64 120.41 3khu n GLU 387 Ca -0.04 -4.13 -0.42 0.00 -0.01 0.00 0.00 57.16 52.56 3khu n GLU 387 Cb 0.14 -2.76 -0.03 0.00 -1.01 0.00 0.00 31.44 27.78 3khu n GLU 387 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3khu s ASP 388 N 1.23 6.38 -0.06 1.62 3.68 -1.26 -4.92 116.67 123.34 3khu s ASP 388 Ca 0.36 2.89 -0.26 0.00 2.13 0.00 0.00 52.55 57.67 3khu s ASP 388 Cb -0.02 -2.61 -0.22 0.00 -1.45 0.00 0.00 42.92 38.62 3khu s ASP 388 CO -0.01 -0.96 1.07 -0.78 0.13 0.00 0.00 175.17 174.62 3khu h ASP 389 N 6.39 0.11 -0.15 -0.34 3.58 -1.96 -2.76 116.42 121.29 3khu h ASP 389 Ca -0.44 -0.71 0.05 0.00 0.42 0.00 0.00 57.03 56.35 3khu h ASP 389 Cb 1.20 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.16 3khu h ASP 389 CO 0.92 0.80 -0.24 1.56 -2.88 0.00 0.00 179.24 179.41 3khu h GLN 390 N -0.58 -0.28 -0.81 0.28 4.20 -1.96 -0.50 115.11 115.45 3khu h GLN 390 Ca -0.01 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.80 3khu h GLN 390 Cb 0.81 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 3khu h GLN 390 CO 0.02 -0.19 0.47 0.28 -0.67 0.00 0.00 178.83 178.74 3khu h VAL 391 N -0.29 0.94 -0.19 -0.54 2.07 -1.84 0.12 116.25 116.51 3khu h VAL 391 Ca 0.11 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3khu h VAL 391 Cb 0.45 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3khu h VAL 391 CO -0.32 0.15 0.04 -1.28 0.02 0.00 0.00 177.57 176.18 3khu h SER 392 N 0.81 0.30 -0.69 0.57 0.87 -1.12 -0.86 113.55 113.44 3khu h SER 392 Ca 0.38 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3khu h SER 392 Cb 0.30 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3khu h SER 392 CO -0.22 0.47 0.14 0.03 -0.53 0.00 0.00 176.83 176.72 3khu h ARG 393 N 0.11 1.12 0.00 2.24 3.08 -0.68 -3.39 114.38 116.87 3khu h ARG 393 Ca 0.06 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3khu h ARG 393 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3khu h ARG 393 CO 0.00 1.01 -0.96 1.28 -1.07 0.00 0.00 179.97 180.23 3khu n LEU 394 N -4.22 0.12 -4.31 3.04 4.77 0.37 -5.00 117.00 111.78 3khu n LEU 394 Ca 0.05 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 3khu n LEU 394 Cb 0.28 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3khu n LEU 394 CO 0.43 0.03 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.39 3khu s VAL 395 N -2.19 2.98 -0.07 4.08 1.01 -0.33 -0.65 120.40 125.23 3khu s VAL 395 Ca -0.01 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3khu s VAL 395 Cb 0.05 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3khu s VAL 395 CO 0.29 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.78 3khu s THR 396 N 0.89 2.37 -0.32 3.92 2.01 0.12 -4.77 115.64 119.85 3khu s THR 396 Ca -0.03 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 3khu s THR 396 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3khu s THR 396 CO -0.00 0.57 0.29 -0.63 -0.69 0.00 0.00 174.62 174.15 3khu s ILE 397 N -0.14 5.24 0.28 1.82 -1.09 -1.26 -0.87 121.20 125.18 3khu s ILE 397 Ca -0.04 0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 3khu s ILE 397 Cb -0.14 -3.72 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 3khu s ILE 397 CO 0.04 0.02 0.66 -0.44 -1.23 0.00 0.00 174.94 173.99 3khu s SER 398 N 1.73 6.72 0.20 3.58 0.01 -0.09 -4.90 113.70 120.94 3khu s SER 398 Ca 0.09 1.14 0.23 0.00 1.31 0.00 0.00 55.95 58.72 3khu s SER 398 Cb -0.17 -2.31 0.06 0.00 0.21 0.00 0.00 66.02 63.81 3khu s SER 398 CO 0.11 -0.14 1.10 0.07 0.41 0.00 0.00 173.24 174.78 3khu h LYS 399 N 2.41 0.00 -3.64 12.44 -0.00 -1.98 -3.43 116.57 122.38 3khu h LYS 399 Ca -0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.10 3khu h LYS 399 Cb 1.17 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 33.27 3khu h LYS 399 CO 0.67 0.00 -0.23 0.16 -0.00 0.00 0.00 179.45 180.05 3khu s ASP 400 N -5.19 -0.05 0.42 7.07 1.47 -1.26 -5.04 116.67 114.09 3khu s ASP 400 Ca 0.01 -0.56 0.20 0.00 1.18 0.00 0.00 52.55 53.37 3khu s ASP 400 Cb 0.10 0.42 0.93 0.00 -0.34 0.00 0.00 42.92 44.03 3khu s ASP 400 CO 0.78 -0.83 1.87 -0.65 0.68 0.00 0.00 175.17 177.01 3khu h PRO 401 N 2.53 0.00 -0.29 2.11 0.11 -1.96 -2.85 132.00 131.65 3khu h PRO 401 Ca -0.33 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 3khu h PRO 401 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3khu h PRO 401 CO 0.50 0.29 -0.52 1.88 -0.21 0.00 0.00 178.00 179.94 3khu h TYR 402 N 0.00 1.04 -0.57 0.65 0.05 -1.98 -1.50 116.97 114.67 3khu h TYR 402 Ca -0.00 -0.36 0.06 0.00 0.05 0.00 0.00 58.73 58.48 3khu h TYR 402 Cb 0.65 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 3khu h TYR 402 CO 0.00 1.18 0.26 0.93 -1.05 0.00 0.00 178.16 179.48 3khu h GLU 403 N 0.65 0.48 -0.92 4.88 5.08 -1.92 -1.02 114.58 121.81 3khu h GLU 403 Ca 0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3khu h GLU 403 Cb 1.12 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3khu h GLU 403 CO 0.11 0.32 0.59 0.00 -1.00 0.00 0.00 179.01 179.03 3khu h ALA 404 N 1.34 1.21 -0.00 3.43 0.00 -1.22 -2.79 119.26 121.22 3khu h ALA 404 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3khu h ALA 404 Cb 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3khu h ALA 404 CO -0.21 0.45 -0.40 0.00 0.00 0.00 0.00 179.25 179.09 3khu s ASP 406 N -2.77 6.19 -0.20 0.00 -1.08 -0.41 -1.99 116.67 116.41 3khu s ASP 406 Ca 0.17 1.48 0.00 0.00 -0.52 0.00 0.00 52.55 53.68 3khu s ASP 406 Cb 0.18 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3khu s ASP 406 CO 0.62 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.49 3khu n GLY 407 N 4.98 0.54 3.84 2.66 0.00 0.52 -5.01 105.19 112.71 3khu n GLY 407 Ca 0.20 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3khu n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khu s ALA 408 N -2.00 3.34 0.08 4.61 0.00 -0.84 -4.45 121.76 122.49 3khu s ALA 408 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.12 3khu s ALA 408 Cb 0.00 -2.81 -0.23 0.00 0.00 0.00 0.00 23.12 20.08 3khu s ALA 408 CO 0.00 0.32 1.12 0.45 0.00 0.00 0.00 175.76 177.65 3khu h HIS 409 N 2.63 0.13 -3.20 0.00 3.86 -1.32 -1.84 115.15 115.40 3khu h HIS 409 Ca -0.48 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 58.50 3khu h HIS 409 Cb 1.18 -0.01 -0.21 0.00 1.06 0.00 0.00 27.41 29.43 3khu h HIS 409 CO 0.62 1.09 -0.37 0.00 0.86 0.00 0.00 177.93 180.13 3khu s ALA 410 N -2.67 -0.61 -0.19 2.45 0.00 -1.25 -2.26 121.76 117.23 3khu s ALA 410 Ca -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3khu s ALA 410 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3khu s ALA 410 CO 0.83 -0.22 -0.08 0.08 0.00 0.00 0.00 175.76 176.38 3khu s VAL 411 N -1.10 3.20 -0.30 0.00 1.01 -0.07 -1.63 120.40 121.51 3khu s VAL 411 Ca -0.12 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3khu s VAL 411 Cb -0.05 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.97 3khu s VAL 411 CO 0.03 0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 3khu s VAL 412 N 1.11 2.75 -0.32 2.92 1.01 0.15 -0.60 120.40 127.41 3khu s VAL 412 Ca 0.01 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 3khu s VAL 412 Cb -0.15 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3khu s VAL 412 CO -0.02 -0.15 0.56 -0.63 0.00 0.00 0.00 175.10 174.87 3khu s ILE 413 N 1.19 4.99 -0.19 2.22 1.01 -0.14 -0.86 121.20 129.41 3khu s ILE 413 Ca -0.05 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.31 3khu s ILE 413 Cb -0.20 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 3khu s ILE 413 CO -0.03 -0.14 0.25 0.00 0.00 0.00 0.00 174.94 175.02 3khu s THR 415 N -2.13 0.76 -0.03 0.00 2.01 -1.22 -4.74 115.64 110.30 3khu s THR 415 Ca 0.00 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 3khu s THR 415 Cb 0.05 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3khu s THR 415 CO 0.32 0.24 2.38 -1.84 -0.69 0.00 0.00 174.62 175.03 3khu n GLU 416 N 3.27 1.29 -1.73 4.92 0.00 -1.26 -4.71 120.64 122.42 3khu n GLU 416 Ca -0.18 -0.35 -0.42 0.00 0.00 0.00 0.00 57.16 56.21 3khu n GLU 416 Cb 0.54 -1.28 -0.03 0.00 0.00 0.00 0.00 31.44 30.68 3khu n GLU 416 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3khu s TRP 417 N 0.09 2.90 0.52 -1.84 0.52 -1.26 -4.78 118.94 115.09 3khu s TRP 417 Ca 0.18 0.36 0.23 0.00 0.02 0.00 0.00 56.10 56.88 3khu s TRP 417 Cb 0.09 -4.14 1.36 0.00 -1.15 0.00 0.00 33.47 29.63 3khu s TRP 417 CO -0.00 -4.30 2.03 -0.44 0.02 0.00 0.00 176.95 174.26 3khu h ASP 418 N 6.71 0.01 0.16 2.95 3.32 -2.01 -2.15 116.42 125.41 3khu h ASP 418 Ca -0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3khu h ASP 418 Cb 1.20 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3khu h ASP 418 CO 0.95 0.01 -0.08 0.00 -1.72 0.00 0.00 179.24 178.40 3khu h MET 419 N 0.01 0.00 0.00 3.56 -0.00 -1.99 -2.95 114.93 113.57 3khu h MET 419 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.84 3khu h MET 419 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.35 3khu h MET 419 CO -0.00 0.08 -0.24 0.74 -0.00 0.00 0.00 176.91 177.49 3khu h PHE 420 N 0.00 0.00 0.00 -0.10 0.04 -1.77 -1.09 116.94 114.02 3khu h PHE 420 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3khu h PHE 420 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3khu h PHE 420 CO 0.00 0.24 0.00 0.36 -0.60 0.00 0.00 178.31 178.31 3khu n LYS 421 N -3.94 0.18 0.00 1.51 2.85 -1.11 -3.52 118.16 114.13 3khu n LYS 421 Ca -0.02 0.25 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 3khu n LYS 421 Cb 0.32 -1.76 0.17 0.00 -0.65 0.00 0.00 35.03 33.11 3khu n LYS 421 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3khu n GLU 422 N -2.09 1.90 -1.26 -1.58 1.02 -0.42 -4.99 120.64 113.22 3khu n GLU 422 Ca 0.05 -1.49 -0.32 0.00 -0.02 0.00 0.00 57.16 55.37 3khu n GLU 422 Cb 0.34 -1.47 0.10 0.00 -0.02 0.00 0.00 31.44 30.39 3khu n GLU 422 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3khu s LEU 423 N -2.13 3.14 -0.93 -4.62 1.43 -1.17 -4.93 118.68 109.48 3khu s LEU 423 Ca 0.28 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 3khu s LEU 423 Cb 0.20 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.95 3khu s LEU 423 CO 0.37 -2.32 1.24 -0.62 0.23 0.00 0.00 176.35 175.26 3khu s ASP 424 N -2.60 6.51 0.39 2.29 -1.08 -1.26 -4.86 116.67 116.06 3khu s ASP 424 Ca 0.68 -1.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.29 3khu s ASP 424 Cb -0.23 -2.47 0.62 0.00 -1.46 0.00 0.00 42.92 39.37 3khu s ASP 424 CO 0.50 -1.31 1.70 1.88 0.52 0.00 0.00 175.17 178.46 3khu h TYR 425 N 9.34 0.00 -0.47 -5.34 -1.99 -1.98 -2.33 116.97 114.20 3khu h TYR 425 Ca 0.11 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 3khu h TYR 425 Cb 1.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.74 3khu h TYR 425 CO 1.19 0.29 0.06 1.49 -0.00 0.00 0.00 178.16 181.18 3khu h GLU 426 N 0.00 0.79 -0.43 4.88 4.81 -1.99 0.42 114.58 123.05 3khu h GLU 426 Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3khu h GLU 426 Cb 0.96 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3khu h GLU 426 CO 0.04 0.81 0.12 -0.09 -0.73 0.00 0.00 179.01 179.15 3khu h ARG 427 N 0.65 0.69 -0.42 1.92 2.43 -1.91 -2.80 114.38 114.93 3khu h ARG 427 Ca 0.14 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3khu h ARG 427 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3khu h ARG 427 CO 0.01 0.69 0.27 0.82 -1.51 0.00 0.00 179.97 180.25 3khu h ILE 428 N 0.57 1.12 -0.49 1.20 2.04 -1.21 -2.98 117.51 117.77 3khu h ILE 428 Ca 0.14 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.84 3khu h ILE 428 Cb 0.30 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 3khu h ILE 428 CO -0.00 0.12 0.07 -0.74 0.00 0.00 0.00 178.15 177.60 3khu h HIS 429 N 0.57 0.11 -1.00 1.37 2.76 -0.77 -2.68 115.15 115.52 3khu h HIS 429 Ca 0.15 0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.52 3khu h HIS 429 Cb -0.04 0.02 -0.10 0.00 1.55 0.00 0.00 27.41 28.85 3khu h HIS 429 CO -0.04 -0.03 0.62 0.87 -1.30 0.00 0.00 177.93 178.05 3khu h LYS 430 N 0.20 0.79 -0.35 5.26 1.57 -1.33 -2.18 116.57 120.53 3khu h LYS 430 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3khu h LYS 430 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3khu h LYS 430 CO -0.34 0.53 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 3khu n LYS 431 N -4.70 2.38 -3.12 3.15 4.76 -1.04 -4.93 118.16 114.66 3khu n LYS 431 Ca 0.22 -2.18 -0.33 0.00 -2.87 0.00 0.00 58.31 53.15 3khu n LYS 431 Cb 0.51 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 3khu n LYS 431 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3khu s MET 432 N -1.39 4.02 0.62 1.97 -1.94 -0.82 -0.36 119.30 121.40 3khu s MET 432 Ca 0.35 0.70 -0.17 0.00 -1.71 0.00 0.00 55.69 54.85 3khu s MET 432 Cb 0.21 -2.42 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 3khu s MET 432 CO 0.29 0.15 1.17 -0.51 -0.01 0.00 0.00 175.02 176.11 3khu s LEU 433 N -2.98 3.56 -0.05 -0.03 1.43 -0.69 -4.91 118.68 115.01 3khu s LEU 433 Ca 0.54 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.94 3khu s LEU 433 Cb -0.10 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.51 3khu s LEU 433 CO 0.17 -1.64 -0.16 -0.54 0.23 0.00 0.00 176.35 174.42 3khu s LYS 434 N -3.58 2.49 0.36 1.70 -0.14 -1.26 -3.22 119.74 116.09 3khu s LYS 434 Ca 0.74 -0.72 -0.26 0.00 -1.36 0.00 0.00 55.97 54.36 3khu s LYS 434 Cb -0.27 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.45 3khu s LYS 434 CO 0.36 0.60 1.13 -1.25 -0.76 0.00 0.00 175.35 175.43 3khu s PRO 435 N -0.68 4.25 -0.22 -1.68 0.04 -1.26 -5.16 135.00 130.30 3khu s PRO 435 Ca 0.10 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 3khu s PRO 435 Cb -0.11 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3khu s PRO 435 CO 0.01 -0.13 0.09 0.00 0.04 0.00 0.00 177.00 177.01 3khu s ALA 436 N -1.39 3.36 0.03 8.56 0.00 -1.20 -4.87 121.76 126.26 3khu s ALA 436 Ca 0.53 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3khu s ALA 436 Cb -0.30 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3khu s ALA 436 CO 0.37 -0.17 -0.09 -0.06 0.00 0.00 0.00 175.76 175.82 3khu s PHE 437 N 1.03 2.81 -0.15 0.00 0.40 -0.96 -1.49 117.98 119.63 3khu s PHE 437 Ca 0.05 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 3khu s PHE 437 Cb -0.14 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.85 3khu s PHE 437 CO 0.03 0.37 -0.20 0.42 0.70 0.00 0.00 175.22 176.54 3khu s ILE 438 N -1.04 1.97 -0.32 0.64 1.01 -0.20 -0.89 121.20 122.36 3khu s ILE 438 Ca 0.18 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3khu s ILE 438 Cb -0.11 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3khu s ILE 438 CO 0.09 0.53 0.07 -0.36 0.00 0.00 0.00 174.94 175.26 3khu s PHE 439 N 0.98 3.26 -0.50 3.97 0.08 0.23 -1.08 117.98 124.92 3khu s PHE 439 Ca -0.03 -1.61 -0.17 0.00 0.12 0.00 0.00 56.93 55.23 3khu s PHE 439 Cb -0.15 -2.23 0.08 0.00 -0.57 0.00 0.00 43.02 40.16 3khu s PHE 439 CO -0.05 -0.76 0.49 0.34 -0.10 0.00 0.00 175.22 175.14 3khu s ASP 440 N 1.36 6.17 0.00 1.36 2.15 0.01 -0.96 116.67 126.76 3khu s ASP 440 Ca -0.03 -1.33 0.10 0.00 0.43 0.00 0.00 52.55 51.72 3khu s ASP 440 Cb -0.20 -2.22 0.30 0.00 -0.30 0.00 0.00 42.92 40.51 3khu s ASP 440 CO 0.01 -0.78 1.25 0.61 -0.17 0.00 0.00 175.17 176.09 3khu n GLY 441 N 5.21 0.51 0.00 2.66 0.00 -0.02 -2.98 105.19 110.57 3khu n GLY 441 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3khu n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khu n ARG 442 N 0.45 0.09 -2.99 1.61 5.12 -1.26 -1.35 116.66 118.33 3khu n ARG 442 Ca 0.11 -0.31 -0.22 0.00 -1.93 0.00 0.00 57.85 55.50 3khu n ARG 442 Cb 0.28 -0.55 0.02 0.00 -1.16 0.00 0.00 32.46 31.05 3khu n ARG 442 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3khu n ARG 443 N -0.02 -4.31 0.17 5.56 5.12 -1.25 -4.90 116.66 117.01 3khu n ARG 443 Ca 0.00 0.85 0.06 0.00 -1.93 0.00 0.00 57.85 56.83 3khu n ARG 443 Cb 0.34 -5.67 0.08 0.00 -1.16 0.00 0.00 32.46 26.05 3khu n ARG 443 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3khu h VAL 444 N -1.16 0.51 -0.51 1.55 -1.51 -1.96 -3.30 116.25 109.87 3khu h VAL 444 Ca -0.51 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 3khu h VAL 444 Cb 1.35 2.23 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 3khu h VAL 444 CO 0.56 0.29 0.00 0.18 -1.23 0.00 0.00 177.57 177.37 3khu n LEU 445 N -3.16 2.96 -4.59 4.19 4.77 -1.26 -4.75 117.00 115.17 3khu n LEU 445 Ca 0.02 -1.48 -0.45 0.00 -0.03 0.00 0.00 56.01 54.07 3khu n LEU 445 Cb 0.66 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3khu n LEU 445 CO 0.38 0.68 0.59 0.47 -1.33 0.00 0.00 177.39 178.19 3khu n ASP 446 N 0.97 1.30 0.00 -1.43 9.92 -1.25 -1.50 116.55 124.56 3khu n ASP 446 Ca 0.18 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 3khu n ASP 446 Cb 0.49 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 3khu n ASP 446 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3khu n GLY 447 N 1.39 2.51 0.97 0.44 0.00 -1.26 -4.84 105.19 104.39 3khu n GLY 447 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3khu n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3khu n LEU 448 N 0.00 3.18 -0.08 0.99 4.77 -0.57 -4.72 117.00 120.57 3khu n LEU 448 Ca 0.00 -1.56 -0.11 0.00 -0.03 0.00 0.00 56.01 54.31 3khu n LEU 448 Cb 0.00 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3khu n LEU 448 CO 0.00 0.70 0.79 0.45 -1.33 0.00 0.00 177.39 178.01 3khu h HIS 449 N 3.66 0.42 -0.38 -1.77 3.86 -1.89 -1.26 115.15 117.80 3khu h HIS 449 Ca 0.00 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3khu h HIS 449 Cb 0.86 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3khu h HIS 449 CO 0.23 0.53 0.13 -0.91 0.86 0.00 0.00 177.93 178.77 3khu h ASN 450 N 0.19 0.15 -0.76 2.45 2.35 -1.96 -0.12 115.58 117.88 3khu h ASN 450 Ca 0.07 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3khu h ASN 450 Cb 0.34 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3khu h ASN 450 CO 0.01 0.12 0.48 -0.08 -1.65 0.00 0.00 177.43 176.31 3khu h GLU 451 N 0.29 0.91 -0.28 0.81 4.81 -1.83 0.32 114.58 119.61 3khu h GLU 451 Ca 0.17 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3khu h GLU 451 Cb 0.15 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3khu h GLU 451 CO -0.17 0.60 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.18 3khu h LEU 452 N 0.93 0.77 -0.36 1.64 3.38 -0.69 -1.63 115.31 119.35 3khu h LEU 452 Ca 0.31 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3khu h LEU 452 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3khu h LEU 452 CO -0.11 1.11 0.09 1.56 0.09 0.00 0.00 178.44 181.17 3khu h GLN 453 N 0.57 0.58 -0.96 1.13 4.20 -0.68 -1.73 115.11 118.22 3khu h GLN 453 Ca 0.04 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.64 3khu h GLN 453 Cb 1.01 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 3khu h GLN 453 CO 0.10 0.62 0.63 1.15 -0.67 0.00 0.00 178.83 180.66 3khu h THR 454 N 0.43 1.17 -0.69 -0.54 2.02 -0.72 0.40 112.91 114.98 3khu h THR 454 Ca 0.11 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3khu h THR 454 Cb 0.31 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3khu h THR 454 CO 0.00 0.22 0.46 0.40 0.37 0.00 0.00 175.52 176.97 3khu h ILE 455 N 1.22 1.16 0.00 3.11 2.04 -1.19 -3.47 117.51 120.39 3khu h ILE 455 Ca 0.38 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3khu h ILE 455 Cb -0.01 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3khu h ILE 455 CO -0.12 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.81 3khu n GLY 456 N -1.43 0.69 3.80 5.37 0.00 0.13 -5.06 105.19 108.69 3khu n GLY 456 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3khu n GLY 456 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khu s PHE 457 N -1.37 3.28 -0.45 1.61 0.40 -0.70 -4.64 117.98 116.11 3khu s PHE 457 Ca 0.00 1.64 -0.23 0.00 -0.60 0.00 0.00 56.93 57.74 3khu s PHE 457 Cb 0.00 -3.00 0.03 0.00 0.51 0.00 0.00 43.02 40.56 3khu s PHE 457 CO 0.00 -0.40 0.81 -0.65 0.70 0.00 0.00 175.22 175.68 3khu s GLN 458 N -2.80 3.43 -0.19 0.44 -0.21 -0.56 -4.19 119.66 115.58 3khu s GLN 458 Ca 0.60 -0.06 -0.06 0.00 0.02 0.00 0.00 55.36 55.86 3khu s GLN 458 Cb -0.16 -3.94 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 3khu s GLN 458 CO 0.21 -1.13 0.03 -1.50 -2.12 0.00 0.00 175.29 170.78 3khu s ILE 459 N 3.36 4.37 0.04 1.08 1.10 -1.26 -1.04 121.20 128.85 3khu s ILE 459 Ca 0.31 -0.18 0.05 0.00 -0.51 0.00 0.00 60.65 60.33 3khu s ILE 459 Cb -0.12 -2.97 -0.02 0.00 0.15 0.00 0.00 42.46 39.50 3khu s ILE 459 CO 0.23 0.44 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.74 3khu s GLU 460 N 0.67 1.02 0.06 3.50 2.02 -0.24 -4.98 118.70 120.76 3khu s GLU 460 Ca 0.01 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 3khu s GLU 460 Cb -0.14 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3khu s GLU 460 CO 0.02 0.26 0.12 -0.08 0.02 0.00 0.00 175.26 175.60 3khu s THR 461 N -0.84 0.15 0.41 3.63 -1.32 -1.26 -0.81 115.64 115.60 3khu s THR 461 Ca 0.03 -1.27 -0.26 0.00 -1.21 0.00 0.00 61.69 58.98 3khu s THR 461 Cb -0.08 -1.23 -0.09 0.00 -1.51 0.00 0.00 72.50 69.59 3khu s THR 461 CO 0.01 -0.70 1.29 0.27 -2.21 0.00 0.00 174.62 173.28 3khu s ILE 462 N -3.46 2.67 -0.25 5.08 -4.36 -1.16 -2.91 121.20 116.81 3khu s ILE 462 Ca 0.02 0.59 0.00 0.00 -0.26 0.00 0.00 60.65 61.00 3khu s ILE 462 Cb 0.04 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.40 3khu s ILE 462 CO -0.09 0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.78 3khu n GLY 463 N 0.66 0.57 2.82 6.27 0.00 -1.23 -4.84 105.19 109.45 3khu n GLY 463 Ca 0.04 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3khu n GLY 463 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khu s LYS 464 N -1.89 0.45 0.32 1.61 2.20 -1.15 -1.48 119.74 119.81 3khu s LYS 464 Ca 0.00 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 3khu s LYS 464 Cb 0.00 -0.65 -0.10 0.00 -1.51 0.00 0.00 37.83 35.57 3khu s LYS 464 CO 0.00 -0.16 1.36 0.21 -0.36 0.00 0.00 175.35 176.40 3khu s LYS 465 N 1.22 4.30 0.00 4.03 2.20 -1.26 -4.65 119.74 125.58 3khu s LYS 465 Ca -0.07 2.29 0.27 0.00 -0.36 0.00 0.00 55.97 58.10 3khu s LYS 465 Cb -0.13 -3.06 1.59 0.00 -1.51 0.00 0.00 37.83 34.72 3khu s LYS 465 CO -0.02 -0.29 1.94 0.28 -0.36 0.00 0.00 175.35 176.91