#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 0.20 -6.61 4.33 -1.53 -2.00 -3.45 114.93 105.87 3khu h MET 1 Ca 0.00 -0.05 -0.52 0.00 -3.44 0.00 0.00 59.70 55.69 3khu h MET 1 Cb 0.00 -0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.03 3khu h MET 1 CO 0.00 0.35 0.53 0.12 0.14 0.00 0.00 176.91 178.05 3khu s PHE 2 N -5.33 3.49 -0.12 1.39 5.36 -1.26 -5.02 117.98 116.49 3khu s PHE 2 Ca -0.14 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 3khu s PHE 2 Cb 0.06 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 3khu s PHE 2 CO 0.70 -1.01 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.31 3khu s GLU 3 N 0.07 2.20 -0.16 10.12 2.12 -1.26 -4.60 118.70 127.19 3khu s GLU 3 Ca 0.53 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 3khu s GLU 3 Cb -0.31 -1.95 -0.00 0.00 0.26 0.00 0.00 34.13 32.14 3khu s GLU 3 CO 0.34 -0.14 1.02 0.42 -0.54 0.00 0.00 175.26 176.36 3khu s ILE 4 N 1.21 4.74 -0.01 -3.70 1.01 -1.26 -4.90 121.20 118.29 3khu s ILE 4 Ca -0.02 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.68 3khu s ILE 4 Cb -0.14 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 3khu s ILE 4 CO -0.05 -0.08 0.04 0.29 0.00 0.00 0.00 174.94 175.14 3khu n LYS 5 N 5.61 0.53 -4.32 2.79 5.02 -1.26 -4.90 118.16 121.64 3khu n LYS 5 Ca 0.10 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 3khu n LYS 5 Cb 0.47 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.05 1.05 -0.06 1.97 1.02 -1.26 -1.36 119.74 119.04 3khu s LYS 6 Ca -0.01 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 55.81 3khu s LYS 6 Cb 0.01 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.35 3khu s LYS 6 CO 0.08 0.00 -0.22 0.42 -0.92 0.00 0.00 175.35 174.71 3khu s ILE 7 N 0.63 1.85 -0.11 2.17 1.01 0.31 -0.85 121.20 126.21 3khu s ILE 7 Ca -0.10 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3khu s ILE 7 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 3khu s ILE 7 CO 0.01 0.52 -0.14 0.00 0.00 0.00 0.00 174.94 175.33 3khu s ILE 10 N 1.24 4.37 0.00 0.00 1.01 -0.22 -0.28 121.20 127.32 3khu s ILE 10 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3khu s ILE 10 Cb -0.17 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.77 3khu s ILE 10 CO -0.06 -1.03 0.00 0.61 0.00 0.00 0.00 174.94 174.46 3khu n GLY 11 N 5.03 2.72 2.75 6.18 0.00 0.64 -0.51 105.19 121.99 3khu n GLY 11 Ca 0.05 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 0.25 5.79 -2.12 4.61 0.00 -1.23 -4.25 120.51 123.56 3khu n ALA 12 Ca 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.09 3khu n ALA 12 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.40 2.47 0.29 0.00 0.00 -1.26 -4.57 105.19 101.71 3khu n GLY 13 Ca 0.45 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.52 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 0.59 0.00 1.61 -1.99 -1.95 -2.72 116.97 112.52 3khu h TYR 14 Ca 0.00 -0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.51 3khu h TYR 14 Cb 0.00 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 3khu h TYR 14 CO 0.00 0.49 -1.02 0.28 -0.00 0.00 0.00 178.16 177.91 3khu h VAL 15 N 0.59 1.09 -0.21 -2.88 2.07 -1.93 -3.39 116.25 111.58 3khu h VAL 15 Ca 0.14 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 3khu h VAL 15 Cb 0.17 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3khu h VAL 15 CO -0.01 0.39 0.02 1.23 0.02 0.00 0.00 177.57 179.22 3khu h GLY 16 N -0.94 0.38 0.80 2.17 0.00 -1.75 -2.45 103.07 101.27 3khu h GLY 16 Ca -0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3khu h GLY 16 CO -0.16 0.24 -0.38 -1.33 0.00 0.00 0.00 176.54 174.91 3khu h GLY 17 N 0.13 -1.12 0.64 4.60 0.00 -1.66 -1.09 103.07 104.58 3khu h GLY 17 Ca 0.06 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.86 3khu h GLY 17 CO 0.01 -0.41 0.29 -2.55 0.00 0.00 0.00 176.54 173.88 3khu h PRO 18 N -1.17 0.52 0.02 4.80 0.11 -1.76 0.44 132.00 134.97 3khu h PRO 18 Ca -0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3khu h PRO 18 Cb 0.82 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3khu h PRO 18 CO 0.18 0.35 -0.01 1.15 -0.21 0.00 0.00 178.00 179.46 3khu h THR 19 N 0.54 1.07 0.00 -1.15 2.02 -1.39 -1.23 112.91 112.77 3khu h THR 19 Ca 0.27 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3khu h THR 19 Cb 0.20 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3khu h THR 19 CO -0.20 0.07 -0.39 0.00 0.37 0.00 0.00 175.52 175.38 3khu h SER 21 N 0.00 0.49 -0.49 0.00 0.02 -0.64 -1.83 113.55 111.09 3khu h SER 21 Ca -0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3khu h SER 21 Cb 0.89 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3khu h SER 21 CO 0.05 0.60 0.19 0.58 -1.14 0.00 0.00 176.83 177.11 3khu h VAL 22 N 0.36 1.21 -0.33 2.27 2.07 -0.80 -1.40 116.25 119.64 3khu h VAL 22 Ca 0.10 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3khu h VAL 22 Cb 0.30 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3khu h VAL 22 CO 0.00 0.25 0.05 0.40 0.02 0.00 0.00 177.57 178.30 3khu h ILE 23 N 0.66 0.82 -0.52 4.57 2.04 -1.26 -0.31 117.51 123.52 3khu h ILE 23 Ca 0.16 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3khu h ILE 23 Cb 0.21 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3khu h ILE 23 CO -0.01 0.03 0.32 0.00 0.00 0.00 0.00 178.15 178.49 3khu h ALA 24 N 1.26 0.66 -0.69 1.87 0.00 -1.12 0.48 119.26 121.71 3khu h ALA 24 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3khu h ALA 24 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3khu h ALA 24 CO -0.22 0.04 0.46 1.25 0.00 0.00 0.00 179.25 180.77 3khu h HIS 25 N 0.64 0.81 0.00 0.00 -0.00 -0.55 -2.86 115.15 113.19 3khu h HIS 25 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3khu h HIS 25 Cb -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 3khu h HIS 25 CO -0.06 0.48 -0.92 -1.33 -0.00 0.00 0.00 177.93 176.10 3khu n MET 26 N -4.45 0.33 -3.53 5.26 2.81 -0.19 -4.58 117.12 112.76 3khu n MET 26 Ca 0.08 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.74 3khu n MET 26 Cb 0.11 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 30.88 3khu n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3khu h PRO 28 N 4.88 0.00 -0.01 0.00 0.11 -1.81 -1.40 132.00 133.76 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 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3khu h PRO 28 CO 0.62 0.01 -0.09 -0.85 -0.21 0.00 0.00 178.00 177.48 3khu n GLU 29 N -3.57 1.32 -3.96 1.05 0.00 -1.26 -4.81 120.64 109.41 3khu n GLU 29 Ca -0.03 -0.74 -0.35 0.00 0.00 0.00 0.00 57.16 56.04 3khu n GLU 29 Cb 0.09 -1.48 -0.09 0.00 0.00 0.00 0.00 31.44 29.96 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 -2.19 4.97 -0.18 3.84 1.01 -0.53 -4.93 121.20 123.19 3khu s ILE 30 Ca 0.33 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3khu s ILE 30 Cb 0.20 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 3khu s ILE 30 CO 0.41 0.48 0.72 -0.60 0.00 0.00 0.00 174.94 175.94 3khu s ARG 31 N 0.15 4.26 -0.18 2.79 3.52 -0.47 -4.84 118.95 124.19 3khu s ARG 31 Ca 0.06 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 56.47 3khu s ARG 31 Cb -0.12 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3khu s ARG 31 CO 0.00 -0.25 -0.18 0.08 -0.81 0.00 0.00 175.30 174.14 3khu s VAL 32 N 1.91 1.97 -0.24 7.11 1.01 0.58 -0.53 120.40 132.22 3khu s VAL 32 Ca 0.33 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3khu s VAL 32 Cb -0.16 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.44 3khu s VAL 32 CO 0.12 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.66 3khu s THR 33 N 1.31 2.08 -0.19 3.92 2.01 0.13 -0.78 115.64 124.12 3khu s THR 33 Ca 0.03 -1.44 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 3khu s THR 33 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3khu s THR 33 CO -0.12 0.09 0.37 -0.69 -0.69 0.00 0.00 174.62 173.58 3khu s VAL 34 N 1.17 5.23 0.23 3.82 1.01 0.13 -1.31 120.40 130.68 3khu s VAL 34 Ca -0.06 0.67 0.09 0.00 0.00 0.00 0.00 61.98 62.68 3khu s VAL 34 Cb -0.18 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3khu s VAL 34 CO -0.07 0.29 -0.15 0.68 0.00 0.00 0.00 175.10 175.85 3khu s VAL 35 N 1.07 1.92 -0.09 2.92 -7.23 0.61 -1.71 120.40 117.89 3khu s VAL 35 Ca 0.18 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 57.80 3khu s VAL 35 Cb -0.14 -2.13 0.08 0.00 0.56 0.00 0.00 36.38 34.74 3khu s VAL 35 CO 0.07 -0.53 0.73 -0.62 -0.31 0.00 0.00 175.10 174.45 3khu s ASP 36 N -3.37 -0.62 0.38 4.85 -1.08 -1.19 -0.26 116.67 115.37 3khu s ASP 36 Ca 0.25 0.74 0.18 0.00 -0.52 0.00 0.00 52.55 53.20 3khu s ASP 36 Cb -0.01 0.59 0.71 0.00 -1.46 0.00 0.00 42.92 42.75 3khu s ASP 36 CO 0.09 -0.53 1.76 -0.37 0.52 0.00 0.00 175.17 176.64 3khu h VAL 37 N 3.03 0.95 -2.57 1.11 -1.51 -1.92 -3.41 116.25 111.93 3khu h VAL 37 Ca -0.26 -1.47 -0.54 0.00 -1.23 0.00 0.00 66.70 63.20 3khu h VAL 37 Cb 1.15 1.88 -0.08 0.00 -2.13 0.00 0.00 31.29 32.11 3khu h VAL 37 CO 0.35 0.37 1.06 0.21 -1.23 0.00 0.00 177.57 178.32 3khu s ASN 38 N -6.51 6.18 0.17 4.19 3.84 -1.26 -4.89 114.94 116.67 3khu s ASN 38 Ca -0.01 -0.23 -0.14 0.00 0.21 0.00 0.00 52.86 52.69 3khu s ASN 38 Cb 0.12 -2.56 0.07 0.00 -0.55 0.00 0.00 41.25 38.33 3khu s ASN 38 CO 0.69 -1.77 1.82 -0.08 -2.79 0.00 0.00 177.10 174.97 3khu h GLU 39 N 10.21 0.72 -0.70 0.43 4.81 -2.00 -2.56 114.58 125.49 3khu h GLU 39 Ca -0.27 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3khu h GLU 39 Cb 1.06 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 3khu h GLU 39 CO 1.25 0.50 0.36 1.03 -0.73 0.00 0.00 179.01 181.42 3khu h SER 40 N 0.72 0.48 -0.45 1.04 0.87 -1.99 -1.15 113.55 113.08 3khu h SER 40 Ca 0.19 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 3khu h SER 40 Cb -0.04 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3khu h SER 40 CO -0.04 0.28 -0.05 -0.09 -0.53 0.00 0.00 176.83 176.41 3khu h ARG 41 N 0.62 0.83 -0.53 2.24 2.43 -1.91 -1.63 114.38 116.44 3khu h ARG 41 Ca 0.34 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3khu h ARG 41 Cb 0.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3khu h ARG 41 CO -0.25 0.91 0.33 0.82 -1.51 0.00 0.00 179.97 180.28 3khu h ILE 42 N 0.68 1.09 -0.62 1.20 1.08 -1.07 -0.65 117.51 119.22 3khu h ILE 42 Ca 0.12 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3khu h ILE 42 Cb 0.57 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 3khu h ILE 42 CO 0.03 0.12 0.34 0.78 -0.69 0.00 0.00 178.15 178.73 3khu h ASN 43 N 0.67 0.50 -0.74 1.72 2.35 -1.06 -1.65 115.58 117.38 3khu h ASN 43 Ca 0.20 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3khu h ASN 43 Cb -0.03 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3khu h ASN 43 CO -0.07 0.33 0.48 0.00 -1.65 0.00 0.00 177.43 176.52 3khu h ALA 44 N 1.32 0.94 -0.06 -0.83 0.00 -0.68 -0.73 119.26 119.23 3khu h ALA 44 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3khu h ALA 44 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3khu h ALA 44 CO -0.17 0.38 -0.02 -1.49 0.00 0.00 0.00 179.25 177.95 3khu h TRP 45 N 1.01 0.09 -0.30 0.00 4.06 -0.67 -1.46 115.95 118.67 3khu h TRP 45 Ca 0.27 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.22 3khu h TRP 45 Cb -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3khu h TRP 45 CO -0.02 0.12 0.00 0.09 -3.56 0.00 0.00 178.44 175.07 3khu n ASN 46 N -4.45 1.82 -4.91 -3.49 3.02 -0.35 -4.93 115.26 101.97 3khu n ASN 46 Ca -0.02 -2.04 -0.27 0.00 -0.03 0.00 0.00 54.58 52.21 3khu n ASN 46 Cb 0.14 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.92 4.57 0.05 6.41 1.04 -0.55 -5.04 113.70 119.26 3khu s SER 47 Ca 0.21 -1.34 0.27 0.00 0.48 0.00 0.00 55.95 55.58 3khu s SER 47 Cb 0.12 0.58 0.92 0.00 0.10 0.00 0.00 66.02 67.74 3khu s SER 47 CO 0.13 -1.17 1.73 -2.65 0.98 0.00 0.00 173.24 172.27 3khu n PRO 48 N -1.78 0.08 -3.73 4.02 -0.02 -1.26 -4.59 135.00 127.71 3khu n PRO 48 Ca -0.04 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.12 3khu n PRO 48 Cb 0.65 -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 3.50 0.46 3.45 2.01 -1.26 -5.10 115.64 115.66 3khu s THR 49 Ca 0.12 -2.14 -0.24 0.00 0.31 0.00 0.00 61.69 59.74 3khu s THR 49 Cb 0.17 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 3khu s THR 49 CO 0.60 -0.73 1.24 -0.76 -0.69 0.00 0.00 174.62 174.27 3khu s LEU 50 N 1.01 4.05 0.26 4.42 1.43 -1.26 -4.68 118.68 123.92 3khu s LEU 50 Ca 0.09 2.50 0.25 0.00 -1.03 0.00 0.00 54.13 55.93 3khu s LEU 50 Cb -0.23 -4.13 0.94 0.00 0.03 0.00 0.00 46.19 42.80 3khu s LEU 50 CO -0.04 -1.00 1.75 1.55 0.23 0.00 0.00 176.35 178.84 3khu h PRO 51 N 2.17 0.00 -5.28 1.29 0.13 -1.89 -3.41 132.00 125.02 3khu h PRO 51 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 3khu h PRO 51 Cb 1.26 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.11 3khu h PRO 51 CO 0.60 0.00 -0.77 0.42 -0.23 0.00 0.00 178.00 178.03 3khu s ILE 52 N -3.27 3.03 -0.30 -3.56 -1.09 -1.26 -5.10 121.20 109.64 3khu s ILE 52 Ca 0.06 -0.66 -0.18 0.00 -2.23 0.00 0.00 60.65 57.64 3khu s ILE 52 Cb 0.10 -2.28 -0.02 0.00 -1.58 0.00 0.00 42.46 38.68 3khu s ILE 52 CO 0.47 0.52 0.50 -0.47 -1.23 0.00 0.00 174.94 174.72 3khu s TYR 53 N 0.50 3.23 -0.04 3.97 5.04 -1.26 -4.98 117.35 123.81 3khu s TYR 53 Ca -0.09 0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.96 3khu s TYR 53 Cb -0.16 -2.79 0.02 0.00 0.35 0.00 0.00 41.96 39.38 3khu s TYR 53 CO 0.04 -0.38 0.08 -1.21 -1.34 0.00 0.00 175.55 172.74 3khu s GLU 54 N 2.33 0.05 0.21 4.97 0.41 -1.26 -4.85 118.70 120.56 3khu s GLU 54 Ca 0.20 0.21 -0.32 0.00 -0.41 0.00 0.00 54.97 54.64 3khu s GLU 54 Cb -0.16 -0.10 -0.14 0.00 -1.78 0.00 0.00 34.13 31.95 3khu s GLU 54 CO 0.11 -0.10 1.39 -2.30 -0.49 0.00 0.00 175.26 173.87 3khu n PRO 55 N 3.70 1.84 0.00 0.39 -0.02 -1.26 -1.87 135.00 137.77 3khu n PRO 55 Ca -0.21 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3khu n PRO 55 Cb 0.55 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.36 2.87 0.23 -1.23 0.00 -1.26 -4.46 105.19 103.70 3khu n GLY 56 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.76 -0.53 0.99 5.85 -1.79 -2.33 115.31 118.26 3khu h LEU 57 Ca 0.00 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.43 3khu h LEU 57 Cb 0.00 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3khu h LEU 57 CO 0.00 0.97 0.14 0.50 -0.34 0.00 0.00 178.44 179.70 3khu h LYS 58 N 0.55 0.28 -0.02 1.25 3.64 -1.90 -1.09 116.57 119.28 3khu h LYS 58 Ca 0.09 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3khu h LYS 58 Cb 0.65 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3khu h LYS 58 CO 0.04 0.18 -0.60 1.05 -2.27 0.00 0.00 179.45 177.86 3khu h GLU 59 N 0.29 0.08 -0.02 1.90 9.09 -1.90 -0.97 114.58 123.05 3khu h GLU 59 Ca 0.27 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.62 3khu h GLU 59 Cb 0.35 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3khu h GLU 59 CO -0.32 0.65 -0.01 0.28 0.05 0.00 0.00 179.01 179.66 3khu h VAL 60 N 0.06 1.33 -0.40 -1.06 2.07 -1.05 -2.65 116.25 114.55 3khu h VAL 60 Ca -0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3khu h VAL 60 Cb 1.07 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 3khu h VAL 60 CO 0.08 0.26 0.24 0.58 0.02 0.00 0.00 177.57 178.75 3khu h VAL 61 N -0.37 1.13 0.00 2.57 2.07 -1.09 -2.86 116.25 117.70 3khu h VAL 61 Ca 0.00 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3khu h VAL 61 Cb 0.43 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3khu h VAL 61 CO 0.00 0.13 -0.15 -0.33 0.02 0.00 0.00 177.57 177.25 3khu h GLU 62 N 0.52 0.00 0.00 1.57 5.08 -1.22 0.17 114.58 120.70 3khu h GLU 62 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3khu h GLU 62 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3khu h GLU 62 CO -0.03 0.15 0.00 0.66 -1.00 0.00 0.00 179.01 178.79 3khu h SER 63 N 0.00 0.00 0.00 1.42 4.64 -1.22 -3.38 113.55 115.01 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 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 4.19 0.00 0.00 3.52 0.54 -1.57 118.95 125.63 3khu s ARG 65 Ca 0.00 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 3khu s ARG 65 Cb 0.00 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 3khu s ARG 65 CO 0.00 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 3khu n GLY 66 N 2.79 2.78 0.02 8.12 0.00 -0.32 -4.86 105.19 113.73 3khu n GLY 66 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 0.14 0.00 1.61 5.02 -0.61 -4.85 118.16 117.47 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 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -3.00 0.93 -4.29 4.39 6.94 -1.02 -5.04 115.26 114.17 3khu n ASN 68 Ca -0.03 -1.26 -0.33 0.00 -0.02 0.00 0.00 54.58 52.93 3khu n ASN 68 Cb 0.13 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.40 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 -0.26 2.53 0.01 -4.53 2.96 -0.91 -0.30 118.68 118.18 3khu s LEU 69 Ca 0.00 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3khu s LEU 69 Cb 0.00 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3khu s LEU 69 CO 0.00 0.11 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.71 3khu s PHE 70 N 0.66 0.63 -0.12 5.38 0.08 0.04 -1.17 117.98 123.49 3khu s PHE 70 Ca -0.08 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 56.76 3khu s PHE 70 Cb -0.16 -0.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.91 3khu s PHE 70 CO 0.02 -0.03 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.83 3khu s PHE 71 N -0.56 2.58 0.01 0.36 0.08 -1.26 0.21 117.98 119.40 3khu s PHE 71 Ca -0.01 -1.20 -0.19 0.00 0.12 0.00 0.00 56.93 55.64 3khu s PHE 71 Cb -0.05 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.69 3khu s PHE 71 CO 0.00 -0.53 0.43 0.45 -0.10 0.00 0.00 175.22 175.47 3khu s SER 72 N 0.64 -0.32 0.00 1.36 0.15 -0.69 -4.95 113.70 109.88 3khu s SER 72 Ca -0.12 0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.93 3khu s SER 72 Cb -0.16 0.41 0.68 0.00 -1.71 0.00 0.00 66.02 65.24 3khu s SER 72 CO 0.02 -0.60 1.53 0.35 1.20 0.00 0.00 173.24 175.75 3khu n THR 73 N 0.77 0.00 -2.29 6.45 -2.24 -1.26 -3.16 114.28 112.55 3khu n THR 73 Ca -0.19 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 3khu n THR 73 Cb 0.58 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 3khu n THR 73 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3khu n ASN 74 N -1.45 4.45 -0.14 3.42 2.85 -1.26 -4.74 115.26 118.38 3khu n ASN 74 Ca 0.06 -2.87 -0.10 0.00 -0.11 0.00 0.00 54.58 51.56 3khu n ASN 74 Cb 0.33 -1.71 -0.01 0.00 1.24 0.00 0.00 39.78 39.64 3khu n ASN 74 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3khu h ILE 75 N 5.22 1.25 -0.20 -1.44 2.04 -1.91 -2.83 117.51 119.63 3khu h ILE 75 Ca 0.46 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3khu h ILE 75 Cb 0.82 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3khu h ILE 75 CO 1.56 0.31 0.12 0.44 0.00 0.00 0.00 178.15 180.58 3khu h ASP 76 N 0.55 0.24 0.18 1.72 3.32 -1.98 -1.88 116.42 118.57 3khu h ASP 76 Ca 0.13 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3khu h ASP 76 Cb 0.39 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3khu h ASP 76 CO 0.01 0.22 -0.48 0.44 -1.72 0.00 0.00 179.24 177.70 3khu h ASP 77 N 0.25 0.38 -0.32 6.45 3.32 -1.96 -1.49 116.42 123.05 3khu h ASP 77 Ca 0.07 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3khu h ASP 77 Cb 0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3khu h ASP 77 CO -0.01 0.81 0.20 0.00 -1.72 0.00 0.00 179.24 178.51 3khu h ALA 78 N 1.21 0.40 -0.27 3.45 0.00 -1.26 -2.00 119.26 120.80 3khu h ALA 78 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3khu h ALA 78 Cb 0.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3khu h ALA 78 CO 0.08 -0.11 0.16 0.82 0.00 0.00 0.00 179.25 180.20 3khu h ILE 79 N 0.41 1.10 -0.46 0.00 2.04 -1.23 -2.86 117.51 116.51 3khu h ILE 79 Ca 0.11 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3khu h ILE 79 Cb -0.01 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3khu h ILE 79 CO -0.02 0.10 0.09 0.50 0.00 0.00 0.00 178.15 178.81 3khu h LYS 80 N 0.34 0.21 0.00 2.37 3.64 -0.93 -1.86 116.57 120.34 3khu h LYS 80 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3khu h LYS 80 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3khu h LYS 80 CO -0.02 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.69 3khu n GLU 81 N -5.12 0.14 -2.93 1.90 -0.58 -0.78 -4.86 120.64 108.42 3khu n GLU 81 Ca 0.04 0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.55 3khu n GLU 81 Cb 0.22 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.36 3khu n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3khu s ALA 82 N -3.06 3.29 -0.06 0.62 0.00 -0.70 -4.85 121.76 117.01 3khu s ALA 82 Ca 0.12 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 3khu s ALA 82 Cb 0.15 -3.02 -0.29 0.00 0.00 0.00 0.00 23.12 19.97 3khu s ALA 82 CO 0.56 0.24 0.61 -0.44 0.00 0.00 0.00 175.76 176.73 3khu h ASP 83 N 3.20 0.52 -3.38 0.00 3.32 -1.31 -3.46 116.42 115.30 3khu h ASP 83 Ca -0.47 -0.86 -0.59 0.00 0.02 0.00 0.00 57.03 55.12 3khu h ASP 83 Cb 1.19 -0.17 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 3khu h ASP 83 CO 0.65 1.74 -0.85 -0.22 -1.72 0.00 0.00 179.24 178.84 3khu s LEU 84 N -7.15 1.86 -0.28 1.55 2.96 -0.89 -1.16 118.68 115.58 3khu s LEU 84 Ca -0.16 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 3khu s LEU 84 Cb 0.06 -1.11 0.04 0.00 0.50 0.00 0.00 46.19 45.68 3khu s LEU 84 CO 0.83 0.09 -0.04 -0.69 -1.32 0.00 0.00 176.35 175.22 3khu s VAL 85 N 0.52 2.80 0.10 1.68 1.01 0.62 -0.64 120.40 126.49 3khu s VAL 85 Ca -0.16 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 3khu s VAL 85 Cb -0.17 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 3khu s VAL 85 CO 0.06 0.00 0.99 -0.36 0.00 0.00 0.00 175.10 175.79 3khu s PHE 86 N 1.25 3.75 -0.35 5.22 0.08 0.55 -0.85 117.98 127.63 3khu s PHE 86 Ca -0.04 1.75 -0.12 0.00 0.12 0.00 0.00 56.93 58.63 3khu s PHE 86 Cb -0.19 -3.10 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 3khu s PHE 86 CO -0.03 0.04 0.23 0.42 -0.10 0.00 0.00 175.22 175.78 3khu s ILE 87 N 0.18 5.10 -0.33 0.64 1.01 0.16 -1.05 121.20 126.90 3khu s ILE 87 Ca 0.48 -0.36 0.14 0.00 0.00 0.00 0.00 60.65 60.91 3khu s ILE 87 Cb -0.24 -3.66 0.46 0.00 0.01 0.00 0.00 42.46 39.03 3khu s ILE 87 CO 0.30 -0.05 1.07 -0.24 0.00 0.00 0.00 174.94 176.01 3khu n SER 88 N 5.08 2.85 -4.95 3.58 2.88 0.34 -1.15 113.62 122.26 3khu n SER 88 Ca -0.13 -2.97 -0.21 0.00 -1.33 0.00 0.00 58.87 54.23 3khu n SER 88 Cb 0.49 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 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 -4.12 4.99 0.45 2.46 -7.23 -1.24 -4.44 120.40 111.26 3khu s VAL 89 Ca 0.36 -1.07 -0.22 0.00 -1.81 0.00 0.00 61.98 59.25 3khu s VAL 89 Cb 0.40 -3.73 -0.09 0.00 0.56 0.00 0.00 36.38 33.52 3khu s VAL 89 CO -0.04 -0.32 1.03 0.54 -0.31 0.00 0.00 175.10 176.01 3khu s ASN 90 N -3.97 6.54 -0.58 4.85 4.22 -1.26 -4.73 114.94 120.00 3khu s ASN 90 Ca 0.35 1.95 0.03 0.00 -2.14 0.00 0.00 52.86 53.05 3khu s ASN 90 Cb -0.09 -2.57 0.14 0.00 1.28 0.00 0.00 41.25 40.02 3khu s ASN 90 CO 0.28 -0.64 0.34 0.42 -2.04 0.00 0.00 177.10 175.46 3khu s THR 91 N -1.88 2.82 0.64 0.54 -4.23 -1.26 -4.68 115.64 107.59 3khu s THR 91 Ca 0.63 -3.50 -0.14 0.00 -1.18 0.00 0.00 61.69 57.50 3khu s THR 91 Cb -0.18 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 3khu s THR 91 CO 0.22 -0.86 1.08 -2.16 -0.54 0.00 0.00 174.62 172.36 3khu s PRO 92 N -0.54 3.03 0.33 3.99 0.04 -1.26 -4.48 135.00 136.12 3khu s PRO 92 Ca 0.19 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 3khu s PRO 92 Cb -0.21 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3khu s PRO 92 CO -0.04 -1.04 1.52 0.99 0.04 0.00 0.00 177.00 178.46 3khu s THR 93 N -2.53 2.14 0.28 1.26 2.01 -1.26 -0.31 115.64 117.24 3khu s THR 93 Ca 0.64 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 3khu s THR 93 Cb -0.17 -3.08 -0.11 0.00 0.01 0.00 0.00 72.50 69.14 3khu s THR 93 CO 0.42 0.03 1.60 -0.54 -0.69 0.00 0.00 174.62 175.44 3khu s LYS 94 N -1.32 4.13 0.00 4.92 1.02 -0.17 -4.76 119.74 123.56 3khu s LYS 94 Ca 0.57 2.57 0.20 0.00 0.02 0.00 0.00 55.97 59.33 3khu s LYS 94 Cb -0.46 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 33.70 3khu s LYS 94 CO 0.55 -0.64 0.94 0.25 -0.92 0.00 0.00 175.35 175.53 3khu n THR 95 N 2.37 0.00 -4.07 2.17 -2.24 -1.26 -0.60 114.28 110.65 3khu n THR 95 Ca 0.09 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3khu n THR 95 Cb 0.37 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 -2.60 0.68 0.00 4.78 -0.85 -1.26 -4.83 117.35 113.28 3khu s TYR 96 Ca 0.12 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.69 3khu s TYR 96 Cb 0.16 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.36 3khu s TYR 96 CO 0.67 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 174.29 3khu n GLY 97 N -0.31 -1.22 3.69 5.49 0.00 -1.26 -4.33 105.19 107.24 3khu n GLY 97 Ca -0.01 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.76 119.30 120.19 3khu s MET 98 Ca 0.00 2.13 0.00 0.00 -1.71 0.00 0.00 55.69 56.11 3khu s MET 98 Cb 0.00 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.23 3khu s MET 98 CO 0.00 -0.66 0.00 0.41 -0.01 0.00 0.00 175.02 174.76 3khu n GLY 99 N 3.82 0.59 3.61 -0.03 0.00 -1.26 -4.87 105.19 107.05 3khu n GLY 99 Ca 0.14 -0.41 -0.55 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.73 0.95 -0.62 1.61 4.81 -0.72 -0.59 118.16 120.86 3khu n LYS 100 Ca 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3khu n LYS 100 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 2.75 1.28 1.61 3.14 0.00 0.23 -4.73 105.19 109.47 3khu n GLY 101 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.00 -2.16 1.61 1.74 -0.28 -4.96 116.66 110.61 3khu n ARG 102 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3khu n ARG 102 Cb 0.00 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.80 2.89 0.24 7.54 0.00 0.24 -3.69 121.76 127.18 3khu s ALA 103 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3khu s ALA 103 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3khu s ALA 103 CO 0.00 -0.83 0.74 0.00 0.00 0.00 0.00 175.76 175.67 3khu s ALA 104 N -1.53 3.39 -0.43 0.00 0.00 -1.26 -1.00 121.76 120.93 3khu s ALA 104 Ca 0.67 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 3khu s ALA 104 Cb -0.30 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.01 3khu s ALA 104 CO 0.36 0.32 0.41 0.34 0.00 0.00 0.00 175.76 177.19 3khu s ASP 105 N -1.73 6.17 -0.02 0.00 -1.08 0.58 -4.74 116.67 115.85 3khu s ASP 105 Ca 0.45 -0.83 0.06 0.00 -0.52 0.00 0.00 52.55 51.70 3khu s ASP 105 Cb -0.16 -2.21 0.20 0.00 -1.46 0.00 0.00 42.92 39.29 3khu s ASP 105 CO 0.21 -0.58 1.05 0.18 0.52 0.00 0.00 175.17 176.55 3khu n LEU 106 N 5.48 1.51 -0.28 -1.34 4.77 -1.26 -4.13 117.00 121.75 3khu n LEU 106 Ca -0.09 -0.76 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 3khu n LEU 106 Cb 0.47 -0.27 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 3khu n LEU 106 CO 0.45 0.30 1.10 0.07 -1.33 0.00 0.00 177.39 177.98 3khu h LYS 107 N 1.19 0.64 -0.02 3.23 2.10 -1.93 -0.59 116.57 121.18 3khu h LYS 107 Ca 0.00 -0.04 -0.25 0.00 -2.00 0.00 0.00 60.65 58.36 3khu h LYS 107 Cb 0.49 -0.14 0.02 0.00 -0.90 0.00 0.00 32.23 31.69 3khu h LYS 107 CO 0.05 0.42 -0.99 1.88 -2.00 0.00 0.00 179.45 178.81 3khu h TYR 108 N 0.65 0.94 -0.50 0.07 0.05 -1.84 -1.27 116.97 115.08 3khu h TYR 108 Ca 0.41 -0.50 0.01 0.00 0.05 0.00 0.00 58.73 58.70 3khu h TYR 108 Cb 0.48 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3khu h TYR 108 CO -0.09 1.33 0.32 0.82 -1.05 0.00 0.00 178.16 179.48 3khu h ILE 109 N 0.37 1.09 -0.52 -2.88 1.08 -1.73 -1.07 117.51 113.85 3khu h ILE 109 Ca -0.11 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3khu h ILE 109 Cb 1.63 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 3khu h ILE 109 CO 0.19 0.12 0.20 -0.08 -0.69 0.00 0.00 178.15 177.89 3khu h GLU 110 N 0.64 0.78 -0.55 2.37 4.81 -1.00 -0.76 114.58 120.88 3khu h GLU 110 Ca 0.19 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3khu h GLU 110 Cb -0.03 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3khu h GLU 110 CO -0.06 0.70 0.32 0.00 -0.73 0.00 0.00 179.01 179.23 3khu h ALA 111 N 1.05 0.71 -0.35 2.92 0.00 -0.92 -1.04 119.26 121.63 3khu h ALA 111 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3khu h ALA 111 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3khu h ALA 111 CO -0.01 0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.45 3khu h ALA 113 N 1.07 1.09 -0.31 0.00 0.00 -0.79 0.15 119.26 120.47 3khu h ALA 113 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3khu h ALA 113 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3khu h ALA 113 CO -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 3khu h ARG 114 N 0.97 0.61 -0.71 0.00 3.08 -0.92 -2.47 114.38 114.95 3khu h ARG 114 Ca 0.34 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3khu h ARG 114 Cb 0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3khu h ARG 114 CO -0.14 0.80 0.29 -0.09 -1.07 0.00 0.00 179.97 179.76 3khu h ARG 115 N 0.38 1.05 -0.55 0.04 9.65 -0.87 -1.77 114.38 122.31 3khu h ARG 115 Ca 0.08 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3khu h ARG 115 Cb 0.57 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 3khu h ARG 115 CO 0.03 0.86 0.28 0.82 2.80 0.00 0.00 179.97 184.76 3khu h ILE 116 N 1.00 1.20 -0.08 1.20 2.04 -0.62 -1.64 117.51 120.60 3khu h ILE 116 Ca 0.24 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 3khu h ILE 116 Cb 0.20 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3khu h ILE 116 CO -0.02 0.22 -0.55 1.62 0.00 0.00 0.00 178.15 179.42 3khu h VAL 117 N 0.74 1.36 -0.89 1.67 3.04 -1.30 -2.49 116.25 118.38 3khu h VAL 117 Ca 0.19 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.02 3khu h VAL 117 Cb 0.10 1.91 -0.04 0.00 -2.01 0.00 0.00 31.29 31.24 3khu h VAL 117 CO -0.03 0.55 0.51 -0.61 -1.01 0.00 0.00 177.57 176.98 3khu h GLN 118 N 0.19 1.23 -0.48 4.17 4.15 -0.92 -3.22 115.11 120.23 3khu h GLN 118 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3khu h GLN 118 Cb 1.03 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3khu h GLN 118 CO 0.09 0.89 0.00 0.09 -1.93 0.00 0.00 178.83 177.96 3khu n ASN 119 N -4.36 4.81 -4.26 -0.69 3.02 -0.65 -4.98 115.26 108.14 3khu n ASN 119 Ca 0.10 -2.79 -0.27 0.00 -0.03 0.00 0.00 54.58 51.58 3khu n ASN 119 Cb 0.08 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.51 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 -1.18 2.58 0.13 6.41 0.01 -0.95 -3.89 113.70 116.80 3khu s SER 120 Ca 0.48 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.27 3khu s SER 120 Cb 0.36 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 3khu s SER 120 CO 0.16 0.20 -0.05 0.20 0.41 0.00 0.00 173.24 174.16 3khu s ASN 121 N -1.02 1.23 0.57 2.44 0.01 -1.26 -4.95 114.94 111.95 3khu s ASN 121 Ca 0.08 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 3khu s ASN 121 Cb -0.09 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.66 3khu s ASN 121 CO 0.01 -0.48 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 3khu n GLY 122 N -0.12 1.19 3.63 0.66 0.00 -1.18 -4.75 105.19 104.62 3khu n GLY 122 Ca -0.10 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 3.25 0.03 1.61 5.04 -1.26 -0.29 117.35 125.73 3khu s TYR 123 Ca 0.00 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.60 3khu s TYR 123 Cb 0.00 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.24 3khu s TYR 123 CO 0.00 0.15 0.19 0.15 -1.34 0.00 0.00 175.55 174.70 3khu s LYS 124 N 0.36 0.66 -0.21 4.97 1.02 -1.02 -4.85 119.74 120.68 3khu s LYS 124 Ca 0.03 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.37 3khu s LYS 124 Cb -0.12 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 3khu s LYS 124 CO 0.00 -0.19 0.03 0.42 -0.92 0.00 0.00 175.35 174.69 3khu s ILE 125 N -2.37 4.23 -0.20 2.17 1.01 -0.31 -0.93 121.20 124.80 3khu s ILE 125 Ca -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3khu s ILE 125 Cb -0.02 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 3khu s ILE 125 CO -0.03 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 3khu s VAL 126 N 0.97 3.09 -0.11 2.92 1.01 0.19 -0.27 120.40 128.20 3khu s VAL 126 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3khu s VAL 126 Cb -0.14 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3khu s VAL 126 CO 0.02 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 3khu s THR 127 N 1.28 1.30 -0.10 3.92 2.01 -0.03 -0.63 115.64 123.39 3khu s THR 127 Ca 0.03 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 3khu s THR 127 Cb -0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3khu s THR 127 CO -0.04 0.41 1.34 -1.61 -0.69 0.00 0.00 174.62 174.03 3khu s GLU 128 N 1.26 4.26 -0.08 4.92 2.02 -0.44 -0.67 118.70 129.96 3khu s GLU 128 Ca -0.02 1.80 0.06 0.00 0.02 0.00 0.00 54.97 56.83 3khu s GLU 128 Cb -0.14 -3.73 -0.09 0.00 0.10 0.00 0.00 34.13 30.28 3khu s GLU 128 CO -0.05 -0.66 0.01 1.17 0.02 0.00 0.00 175.26 175.76 3khu n LYS 129 N 6.20 2.30 -2.22 1.61 4.81 -0.30 -0.62 118.16 129.94 3khu n LYS 129 Ca 0.14 0.01 -0.26 0.00 -0.87 0.00 0.00 58.31 57.32 3khu n LYS 129 Cb 0.45 -1.20 0.10 0.00 0.02 0.00 0.00 35.03 34.39 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 -4.13 4.43 0.03 3.14 0.01 -1.20 -3.09 113.70 112.89 3khu s SER 130 Ca -0.06 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 3khu s SER 130 Cb 0.02 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 3khu s SER 130 CO 0.30 -1.84 1.11 -0.89 0.41 0.00 0.00 173.24 172.33 3khu s THR 131 N -3.34 4.37 0.12 1.44 2.01 -1.26 -4.83 115.64 114.15 3khu s THR 131 Ca 0.64 1.70 0.04 0.00 0.31 0.00 0.00 61.69 64.38 3khu s THR 131 Cb -0.09 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3khu s THR 131 CO 0.46 0.12 -0.11 0.68 -0.69 0.00 0.00 174.62 175.09 3khu s VAL 132 N 1.11 1.09 0.66 3.82 -7.23 -1.26 -4.47 120.40 114.12 3khu s VAL 132 Ca 0.56 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 3khu s VAL 132 Cb -0.26 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3khu s VAL 132 CO 0.28 -0.59 1.08 -2.16 -0.31 0.00 0.00 175.10 173.39 3khu s PRO 133 N -3.09 2.93 0.34 4.82 0.04 -1.26 -4.95 135.00 133.83 3khu s PRO 133 Ca 0.10 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 3khu s PRO 133 Cb -0.01 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3khu s PRO 133 CO 0.01 -1.12 1.48 0.08 0.04 0.00 0.00 177.00 177.49 3khu s VAL 134 N -2.64 2.19 0.00 -0.36 1.01 -1.26 -1.99 120.40 117.36 3khu s VAL 134 Ca 0.63 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3khu s VAL 134 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3khu s VAL 134 CO 0.45 0.04 0.00 0.54 0.00 0.00 0.00 175.10 176.13 3khu n ARG 135 N 1.07 0.00 -0.09 2.72 3.00 -1.26 -4.96 116.66 117.14 3khu n ARG 135 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.81 3khu n ARG 135 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.69 3khu n ARG 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3khu h ALA 136 N 0.00 0.26 -0.58 7.54 0.00 -1.77 -2.43 119.26 122.28 3khu h ALA 136 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3khu h ALA 136 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3khu h ALA 136 CO 0.00 -0.42 0.39 0.00 0.00 0.00 0.00 179.25 179.21 3khu h ALA 137 N 1.28 1.70 -0.51 0.00 0.00 -1.93 -0.12 119.26 119.68 3khu h ALA 137 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3khu h ALA 137 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3khu h ALA 137 CO -0.27 0.23 0.16 1.49 0.00 0.00 0.00 179.25 180.86 3khu h GLU 138 N 0.67 0.75 -0.15 0.00 4.81 -1.87 -0.73 114.58 118.06 3khu h GLU 138 Ca 0.23 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3khu h GLU 138 Cb 0.09 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3khu h GLU 138 CO -0.06 0.65 -0.10 0.77 -0.73 0.00 0.00 179.01 179.54 3khu h SER 139 N 0.73 0.34 -0.25 1.04 0.02 -0.61 -1.47 113.55 113.36 3khu h SER 139 Ca 0.17 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3khu h SER 139 Cb 0.21 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3khu h SER 139 CO -0.01 0.71 0.05 0.40 -1.14 0.00 0.00 176.83 176.84 3khu h ILE 140 N -0.02 0.88 -0.65 3.27 2.04 -1.19 -1.42 117.51 120.43 3khu h ILE 140 Ca 0.03 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.93 3khu h ILE 140 Cb 0.59 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3khu h ILE 140 CO 0.03 0.03 0.43 -0.09 0.00 0.00 0.00 178.15 178.54 3khu h ARG 141 N 0.14 0.53 -0.16 2.37 9.65 -1.07 -1.46 114.38 124.38 3khu h ARG 141 Ca 0.11 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.78 3khu h ARG 141 Cb 0.12 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3khu h ARG 141 CO -0.15 0.35 -0.65 0.00 2.80 0.00 0.00 179.97 182.31 3khu h ARG 142 N 0.54 0.60 -0.44 0.20 3.08 -0.24 -0.50 114.38 117.62 3khu h ARG 142 Ca 0.29 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3khu h ARG 142 Cb 0.43 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3khu h ARG 142 CO -0.09 1.05 0.17 0.82 -1.07 0.00 0.00 179.97 180.85 3khu h ILE 143 N 0.43 1.20 -0.17 2.04 2.04 -0.69 -1.62 117.51 120.74 3khu h ILE 143 Ca -0.02 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3khu h ILE 143 Cb 1.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3khu h ILE 143 CO 0.12 0.23 0.08 -0.26 0.00 0.00 0.00 178.15 178.32 3khu h PHE 144 N 0.56 0.25 -0.03 1.37 0.04 -1.18 -2.13 116.94 115.83 3khu h PHE 144 Ca 0.15 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 3khu h PHE 144 Cb 0.20 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3khu h PHE 144 CO 0.00 0.29 -0.18 -0.44 -0.60 0.00 0.00 178.31 177.39 3khu h ASP 145 N 0.14 0.04 1.29 2.17 3.32 -1.02 -2.40 116.42 119.96 3khu h ASP 145 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3khu h ASP 145 Cb 0.14 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3khu h ASP 145 CO -0.01 0.22 -0.24 0.00 -1.72 0.00 0.00 179.24 177.49 3khu h ALA 146 N 1.79 0.84 -1.20 3.45 0.00 -1.03 -3.35 119.26 119.75 3khu h ALA 146 Ca 0.01 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 3khu h ALA 146 Cb 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.71 3khu h ALA 146 CO 0.02 0.00 -0.86 0.09 0.00 0.00 0.00 179.25 178.50 3khu n ASN 147 N -2.28 3.95 -4.83 0.00 3.02 -0.83 -5.09 115.26 109.20 3khu n ASN 147 Ca 0.04 -3.43 -0.32 0.00 -0.03 0.00 0.00 54.58 50.84 3khu n ASN 147 Cb 0.44 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 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 -4.80 4.43 0.12 3.41 -1.32 -1.18 -4.94 115.64 111.35 3khu s THR 148 Ca 0.43 1.27 0.05 0.00 -1.21 0.00 0.00 61.69 62.24 3khu s THR 148 Cb 0.41 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.70 3khu s THR 148 CO -0.09 -0.56 -0.13 -0.54 -2.21 0.00 0.00 174.62 171.08 3khu s LYS 149 N -3.80 0.98 0.18 7.08 1.02 -1.26 -5.09 119.74 118.85 3khu s LYS 149 Ca 0.60 -1.22 -0.33 0.00 0.02 0.00 0.00 55.97 55.05 3khu s LYS 149 Cb -0.10 -0.81 -0.14 0.00 -0.52 0.00 0.00 37.83 36.25 3khu s LYS 149 CO 0.26 0.15 1.43 -2.30 -0.92 0.00 0.00 175.35 173.97 3khu n PRO 150 N 0.54 1.85 -0.78 -1.68 -0.02 -1.26 -2.25 135.00 131.40 3khu n PRO 150 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3khu n PRO 150 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.63 0.00 -4.67 2.55 3.02 -1.26 -4.79 115.26 112.74 3khu n ASN 151 Ca 0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 3khu n ASN 151 Cb 0.28 -1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 38.35 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 4.18 -0.38 3.41 2.96 -0.96 -3.11 118.68 124.78 3khu s LEU 152 Ca 0.00 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 3khu s LEU 152 Cb 0.00 -3.52 0.14 0.00 0.50 0.00 0.00 46.19 43.31 3khu s LEU 152 CO 0.00 -0.54 0.21 0.21 -1.32 0.00 0.00 176.35 174.92 3khu s ASN 153 N 1.15 3.26 -0.18 3.68 2.47 0.61 -4.80 114.94 121.12 3khu s ASN 153 Ca 0.45 -2.28 -0.11 0.00 0.42 0.00 0.00 52.86 51.35 3khu s ASN 153 Cb -0.17 -0.63 -0.05 0.00 -1.45 0.00 0.00 41.25 38.96 3khu s ASN 153 CO 0.12 -0.30 0.17 -0.76 -3.72 0.00 0.00 177.10 172.61 3khu s LEU 154 N 0.89 4.25 -0.10 3.21 1.43 -1.26 -2.44 118.68 124.65 3khu s LEU 154 Ca 0.17 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3khu s LEU 154 Cb -0.23 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3khu s LEU 154 CO -0.01 0.20 -0.07 -1.10 0.23 0.00 0.00 176.35 175.59 3khu s GLN 155 N 0.17 3.10 -0.20 1.70 -1.52 -0.11 -4.98 119.66 117.82 3khu s GLN 155 Ca 0.11 -0.57 -0.06 0.00 -1.95 0.00 0.00 55.36 52.90 3khu s GLN 155 Cb -0.12 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 3khu s GLN 155 CO 0.00 0.47 0.02 0.08 -0.25 0.00 0.00 175.29 175.62 3khu s VAL 156 N -0.29 4.19 0.27 1.09 1.01 -1.26 0.56 120.40 125.97 3khu s VAL 156 Ca 0.04 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3khu s VAL 156 Cb -0.13 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 3khu s VAL 156 CO 0.02 0.42 -0.09 -0.76 0.00 0.00 0.00 175.10 174.70 3khu s LEU 157 N 0.92 2.53 -0.07 3.92 1.43 0.20 -4.58 118.68 123.03 3khu s LEU 157 Ca 0.02 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.02 3khu s LEU 157 Cb -0.14 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 3khu s LEU 157 CO 0.02 -0.26 -0.19 -0.55 0.23 0.00 0.00 176.35 175.60 3khu s SER 158 N -3.44 3.55 -0.44 2.29 0.15 0.11 -1.33 113.70 114.60 3khu s SER 158 Ca 0.28 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.61 3khu s SER 158 Cb 0.02 -0.98 0.20 0.00 -1.71 0.00 0.00 66.02 63.54 3khu s SER 158 CO 0.12 0.26 0.51 -3.20 1.20 0.00 0.00 173.24 172.13 3khu n ASN 159 N 2.85 -1.19 -4.72 5.45 4.05 0.21 0.06 115.26 121.97 3khu n ASN 159 Ca -0.17 -2.64 -0.32 0.00 0.45 0.00 0.00 54.58 51.90 3khu n ASN 159 Cb 0.52 0.13 0.11 0.00 1.23 0.00 0.00 39.78 41.77 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 0.02 1.86 0.08 1.20 0.02 -1.24 -4.32 135.00 132.62 3khu s PRO 160 Ca 0.33 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.89 3khu s PRO 160 Cb 0.08 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 3khu s PRO 160 CO -0.15 -1.99 0.01 -0.65 -0.33 0.00 0.00 177.00 173.88 3khu s GLN 161 N -4.42 2.63 -0.51 5.54 1.11 -1.18 -4.67 119.66 118.16 3khu s GLN 161 Ca 0.68 -0.78 0.07 0.00 0.01 0.00 0.00 55.36 55.34 3khu s GLN 161 Cb -0.23 -2.59 0.35 0.00 -1.01 0.00 0.00 33.01 29.54 3khu s GLN 161 CO 0.52 0.56 0.91 1.19 0.01 0.00 0.00 175.29 178.47 3khu n PHE 162 N 0.67 2.93 -3.70 0.91 3.72 -1.26 -4.99 117.46 115.74 3khu n PHE 162 Ca -0.11 -3.85 -0.35 0.00 -0.05 0.00 0.00 57.45 53.09 3khu n PHE 162 Cb 0.52 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 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 -3.20 4.19 -0.05 4.37 1.43 -1.26 -4.90 118.68 119.26 3khu s LEU 163 Ca 0.46 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3khu s LEU 163 Cb 0.31 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3khu s LEU 163 CO -0.12 0.15 0.12 0.00 0.23 0.00 0.00 176.35 176.73 3khu s ALA 164 N 0.51 3.75 0.14 4.21 0.00 -1.26 -5.00 121.76 124.11 3khu s ALA 164 Ca 0.09 -0.76 -0.34 0.00 0.00 0.00 0.00 51.96 50.95 3khu s ALA 164 Cb -0.12 -1.78 -0.14 0.00 0.00 0.00 0.00 23.12 21.09 3khu s ALA 164 CO -0.00 0.67 1.60 -1.91 0.00 0.00 0.00 175.76 176.12 3khu n GLU 165 N 1.47 2.13 0.00 0.00 0.00 -1.26 -1.92 120.64 121.06 3khu n GLU 165 Ca -0.15 0.77 0.00 0.00 0.00 0.00 0.00 57.16 57.78 3khu n GLU 165 Cb 0.53 -2.54 0.00 0.00 0.00 0.00 0.00 31.44 29.43 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 3.47 2.91 0.17 8.31 0.00 -1.26 -4.84 105.19 113.95 3khu n GLY 166 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 1.25 -0.26 2.61 -2.24 -0.81 -4.55 114.28 108.28 3khu n THR 167 Ca 0.00 -1.48 0.05 0.00 -2.27 0.00 0.00 64.05 60.35 3khu n THR 167 Cb 0.00 0.07 0.18 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.00 1.08 -0.22 6.98 0.00 -1.87 0.80 119.26 126.03 3khu h ALA 168 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3khu h ALA 168 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3khu h ALA 168 CO 0.00 -0.15 -0.19 0.82 0.00 0.00 0.00 179.25 179.73 3khu h ILE 169 N 0.51 1.32 -0.80 0.00 1.08 -1.90 -1.10 117.51 116.61 3khu h ILE 169 Ca 0.41 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3khu h ILE 169 Cb 0.57 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 3khu h ILE 169 CO -0.36 0.41 0.42 0.11 -0.69 0.00 0.00 178.15 178.04 3khu h LYS 170 N 0.21 1.13 0.00 2.37 1.57 -1.75 -0.45 116.57 119.64 3khu h LYS 170 Ca 0.04 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3khu h LYS 170 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3khu h LYS 170 CO 0.05 0.84 -0.17 -0.44 -0.57 0.00 0.00 179.45 179.15 3khu h ASP 171 N 1.13 0.00 0.26 0.86 3.32 -0.59 -0.51 116.42 120.89 3khu h ASP 171 Ca 0.28 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.99 3khu h ASP 171 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3khu h ASP 171 CO -0.04 0.17 -1.76 -0.07 -1.72 0.00 0.00 179.24 175.82 3khu h LEU 172 N 0.00 0.45 -0.03 1.55 3.38 -0.70 -3.14 115.31 116.81 3khu h LEU 172 Ca -0.00 -0.76 -0.23 0.00 0.09 0.00 0.00 57.88 56.98 3khu h LEU 172 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3khu h LEU 172 CO 0.02 1.66 -1.04 0.11 0.09 0.00 0.00 178.44 179.27 3khu h LYS 173 N 0.08 0.13 -2.08 1.13 1.57 -1.01 -3.38 116.57 113.01 3khu h LYS 173 Ca -0.34 -0.20 -0.52 0.00 -1.87 0.00 0.00 60.65 57.73 3khu h LYS 173 Cb 2.05 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 34.03 3khu h LYS 173 CO 0.14 1.05 -1.04 -1.71 -0.57 0.00 0.00 179.45 177.33 3khu n ASN 174 N -3.48 1.76 -4.78 0.86 5.15 -0.21 -4.90 115.26 109.66 3khu n ASN 174 Ca -0.04 -3.16 -0.37 0.00 -0.60 0.00 0.00 54.58 50.42 3khu n ASN 174 Cb 0.93 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 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 -2.58 3.96 0.24 1.20 0.04 -1.19 -4.72 135.00 131.96 3khu s PRO 175 Ca 0.42 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 3khu s PRO 175 Cb 0.31 -2.46 0.30 0.00 0.04 0.00 0.00 34.50 32.69 3khu s PRO 175 CO -0.09 -0.34 1.89 -0.44 0.04 0.00 0.00 177.00 178.05 3khu h ASP 176 N 2.24 0.98 -5.01 6.66 3.32 -1.94 -3.45 116.42 119.23 3khu h ASP 176 Ca -0.49 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 3khu h ASP 176 Cb 1.23 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 3khu h ASP 176 CO 0.61 0.67 0.18 0.00 -1.72 0.00 0.00 179.24 178.98 3khu s ARG 177 N -6.09 1.24 -0.08 3.56 3.03 -1.26 -4.89 118.95 114.46 3khu s ARG 177 Ca -0.13 -0.42 0.01 0.00 2.03 0.00 0.00 55.73 57.22 3khu s ARG 177 Cb 0.18 0.57 -0.03 0.00 -1.03 0.00 0.00 34.95 34.64 3khu s ARG 177 CO 0.80 -0.52 -0.08 0.08 -1.13 0.00 0.00 175.30 174.45 3khu s VAL 178 N -3.49 3.56 -0.13 4.99 1.01 -0.11 -4.98 120.40 121.25 3khu s VAL 178 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3khu s VAL 178 Cb -0.01 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3khu s VAL 178 CO -0.11 0.58 -0.15 -0.22 0.00 0.00 0.00 175.10 175.20 3khu s LEU 179 N -0.54 1.75 -0.06 3.92 2.96 -1.26 -0.09 118.68 125.35 3khu s LEU 179 Ca 0.08 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3khu s LEU 179 Cb -0.12 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.42 3khu s LEU 179 CO 0.02 -0.01 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.32 3khu s ILE 180 N 1.21 0.92 0.04 6.68 1.01 -0.56 -3.74 121.20 126.76 3khu s ILE 180 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.37 3khu s ILE 180 Cb -0.14 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3khu s ILE 180 CO -0.06 0.31 -0.17 -0.83 0.00 0.00 0.00 174.94 174.19 3khu s GLY 181 N 0.88 1.59 0.26 6.18 0.00 0.11 -1.17 107.32 115.17 3khu s GLY 181 Ca -0.11 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.21 3khu s GLY 181 CO 0.01 -1.08 0.76 -0.32 0.00 0.00 0.00 173.10 172.47 3khu s GLY 182 N -1.48 -0.09 0.78 0.20 0.00 -0.97 -0.71 107.32 105.05 3khu s GLY 182 Ca 0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 3khu s GLY 182 CO 0.06 -0.07 1.19 1.22 0.00 0.00 0.00 173.10 175.50 3khu n ASP 183 N -0.50 1.13 -0.12 1.64 10.43 -1.26 -3.54 116.55 124.32 3khu n ASP 183 Ca -0.04 0.63 0.00 0.00 2.57 0.00 0.00 54.79 57.94 3khu n ASP 183 Cb 0.59 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 42.05 3khu n ASP 183 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3khu n GLU 184 N -2.94 0.99 -2.27 -1.24 -0.00 -1.26 -3.79 120.64 110.13 3khu n GLU 184 Ca 0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.16 57.03 3khu n GLU 184 Cb 0.50 -1.12 0.05 0.00 -0.00 0.00 0.00 31.44 30.86 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 -1.75 3.14 0.19 3.84 -4.23 -1.26 -4.89 115.64 110.68 3khu s THR 185 Ca 0.00 -0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 3khu s THR 185 Cb 0.00 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.67 3khu s THR 185 CO 0.00 -0.32 1.82 -0.65 -0.54 0.00 0.00 174.62 174.93 3khu h PRO 186 N -0.38 0.94 -0.51 3.99 0.11 -1.99 -0.90 132.00 133.26 3khu h PRO 186 Ca -0.45 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3khu h PRO 186 Cb 1.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3khu h PRO 186 CO 0.61 0.69 0.17 0.93 -0.21 0.00 0.00 178.00 180.19 3khu h GLU 187 N 0.93 0.78 -0.82 1.05 4.39 -1.94 -2.10 114.58 116.87 3khu h GLU 187 Ca 0.24 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.82 3khu h GLU 187 Cb 0.01 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3khu h GLU 187 CO -0.04 0.71 0.53 0.78 -1.16 0.00 0.00 179.01 179.83 3khu h GLY 188 N 0.68 1.20 2.00 -3.84 0.00 -1.73 -1.69 103.07 99.70 3khu h GLY 188 Ca 0.17 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3khu h GLY 188 CO -0.01 0.33 -0.56 1.46 0.00 0.00 0.00 176.54 177.76 3khu h GLN 189 N 1.02 0.00 -0.18 4.80 1.08 -0.99 -1.33 115.11 119.51 3khu h GLN 189 Ca 0.33 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.37 3khu h GLN 189 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3khu h GLN 189 CO -0.12 0.56 -0.57 0.00 -0.95 0.00 0.00 178.83 177.75 3khu h ARG 190 N 0.00 0.56 -0.25 1.46 3.08 -0.93 -1.71 114.38 116.59 3khu h ARG 190 Ca -0.01 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 3khu h ARG 190 Cb 1.12 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3khu h ARG 190 CO 0.07 0.97 0.08 0.00 -1.07 0.00 0.00 179.97 180.02 3khu h ALA 191 N 0.95 0.33 -0.12 0.04 0.00 -1.07 -1.51 119.26 117.87 3khu h ALA 191 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3khu h ALA 191 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3khu h ALA 191 CO 0.11 -0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.58 3khu h VAL 192 N 0.24 0.89 -0.82 0.00 2.07 -1.21 -2.09 116.25 115.33 3khu h VAL 192 Ca 0.08 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3khu h VAL 192 Cb 0.25 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3khu h VAL 192 CO -0.00 0.00 0.55 -0.61 0.02 0.00 0.00 177.57 177.53 3khu h GLN 193 N 0.01 1.08 -0.90 1.57 -0.00 -1.19 -0.21 115.11 115.47 3khu h GLN 193 Ca 0.06 -0.06 0.07 0.00 -0.00 0.00 0.00 58.65 58.71 3khu h GLN 193 Cb 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 27.48 27.25 3khu h GLN 193 CO -0.11 0.71 0.56 0.00 0.00 0.00 0.00 178.83 179.99 3khu h ALA 194 N 1.30 1.25 -0.05 3.38 0.00 -0.80 -0.12 119.26 124.22 3khu h ALA 194 Ca 0.30 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 3khu h ALA 194 Cb -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.43 3khu h ALA 194 CO -0.07 0.30 -0.88 1.25 0.00 0.00 0.00 179.25 179.86 3khu h LEU 195 N 1.01 0.67 -0.68 0.00 5.85 -0.72 -2.99 115.31 118.45 3khu h LEU 195 Ca 0.40 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3khu h LEU 195 Cb 0.20 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3khu h LEU 195 CO -0.18 1.28 0.34 0.00 -0.34 0.00 0.00 178.44 179.53 3khu h ALA 197 N 1.41 1.91 0.46 0.00 0.00 -0.89 0.23 119.26 122.37 3khu h ALA 197 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3khu h ALA 197 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3khu h ALA 197 CO -0.25 0.02 -0.22 0.28 0.00 0.00 0.00 179.25 179.08 3khu h VAL 198 N 0.39 0.52 -0.10 0.00 2.07 -1.25 -3.04 116.25 114.84 3khu h VAL 198 Ca 0.18 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3khu h VAL 198 Cb 0.23 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3khu h VAL 198 CO -0.04 0.05 0.03 1.88 0.02 0.00 0.00 177.57 179.51 3khu h TYR 199 N -0.78 0.13 0.00 1.57 -1.99 -0.99 -2.42 116.97 112.48 3khu h TYR 199 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3khu h TYR 199 Cb 0.55 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3khu h TYR 199 CO -0.01 0.11 0.00 0.39 -0.00 0.00 0.00 178.16 178.65 3khu n GLU 200 N -4.49 0.07 0.28 4.88 1.02 0.71 -0.49 120.64 122.61 3khu n GLU 200 Ca -0.02 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 3khu n GLU 200 Cb 0.11 -1.68 0.80 0.00 -0.02 0.00 0.00 31.44 30.65 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 -1.49 -3.37 115.15 113.83 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 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3khu h HIS 201 CO 0.00 0.06 0.00 -2.67 0.86 0.00 0.00 177.93 176.18 3khu n TRP 202 N -3.82 0.00 -4.67 2.45 2.14 -0.59 -5.01 117.44 107.94 3khu n TRP 202 Ca -0.02 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.21 3khu n TRP 202 Cb 0.16 0.01 -0.14 0.00 -0.81 0.00 0.00 31.31 30.53 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 3.14 0.39 -1.67 1.01 0.35 -4.98 120.40 118.64 3khu s VAL 203 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 3khu s VAL 203 Cb 0.00 -2.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.94 3khu s VAL 203 CO 0.00 0.51 1.21 -2.65 0.00 0.00 0.00 175.10 174.18 3khu n PRO 204 N 3.62 1.85 -0.34 2.72 -0.02 -1.26 -4.17 135.00 137.40 3khu n PRO 204 Ca -0.18 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3khu n PRO 204 Cb 0.53 -2.27 0.35 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.13 0.69 0.00 -0.52 9.65 -1.94 -1.11 114.38 123.28 3khu h ARG 205 Ca -0.46 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3khu h ARG 205 Cb 1.30 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3khu h ARG 205 CO 0.60 0.46 0.00 1.05 2.80 0.00 0.00 179.97 184.88 3khu h GLU 206 N 0.71 0.00 -0.34 0.20 9.09 -2.03 -1.00 114.58 121.22 3khu h GLU 206 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 3khu h GLU 206 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 3khu h GLU 206 CO -0.34 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.35 3khu n LYS 207 N -2.63 2.41 -3.67 1.06 5.02 -0.42 -4.84 118.16 115.09 3khu n LYS 207 Ca 0.00 -2.12 -0.38 0.00 -2.02 0.00 0.00 58.31 53.80 3khu n LYS 207 Cb 0.20 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.57 4.73 -0.14 -0.18 1.01 -0.38 -0.93 121.20 123.73 3khu s ILE 208 Ca 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 3khu s ILE 208 Cb 0.22 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3khu s ILE 208 CO 0.31 0.24 -0.06 -0.22 0.00 0.00 0.00 174.94 175.22 3khu s LEU 209 N 1.67 3.15 -0.06 2.97 2.96 0.87 -4.96 118.68 125.27 3khu s LEU 209 Ca 0.06 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3khu s LEU 209 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3khu s LEU 209 CO 0.07 0.18 -0.15 0.42 -1.32 0.00 0.00 176.35 175.55 3khu s THR 210 N 0.28 2.97 0.20 3.68 -4.23 -1.26 -1.50 115.64 115.78 3khu s THR 210 Ca -0.04 -0.75 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 3khu s THR 210 Cb -0.14 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 3khu s THR 210 CO 0.03 0.58 0.19 0.35 -0.54 0.00 0.00 174.62 175.23 3khu n THR 211 N 2.56 0.00 -1.86 3.99 -2.24 -0.32 -4.98 114.28 111.43 3khu n THR 211 Ca -0.17 -1.41 -0.29 0.00 -2.27 0.00 0.00 64.05 59.90 3khu n THR 211 Cb 0.52 0.72 0.09 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.39 4.56 0.12 3.42 2.20 -1.26 -2.29 114.94 119.31 3khu s ASN 212 Ca 0.23 0.86 -0.15 0.00 -0.94 0.00 0.00 52.86 52.85 3khu s ASN 212 Cb 0.01 -1.40 -0.02 0.00 -2.00 0.00 0.00 41.25 37.84 3khu s ASN 212 CO 0.16 -1.88 1.61 0.74 -2.94 0.00 0.00 177.10 174.80 3khu h THR 213 N -1.04 1.23 -0.35 0.54 2.02 -1.81 -2.37 112.91 111.15 3khu h THR 213 Ca -0.46 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 65.91 3khu h THR 213 Cb 1.32 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3khu h THR 213 CO 0.65 0.28 0.19 -0.50 0.37 0.00 0.00 175.52 176.52 3khu h TRP 214 N 0.49 0.36 -0.77 3.16 6.55 -1.94 -2.01 115.95 121.80 3khu h TRP 214 Ca 0.12 0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.02 3khu h TRP 214 Cb 0.34 -0.11 -0.05 0.00 -0.86 0.00 0.00 29.16 28.48 3khu h TRP 214 CO 0.02 0.21 0.50 0.77 -1.05 0.00 0.00 178.44 178.89 3khu h SER 215 N 0.40 0.77 -0.09 -3.49 0.02 -1.91 -0.14 113.55 109.11 3khu h SER 215 Ca 0.14 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3khu h SER 215 Cb 0.02 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3khu h SER 215 CO -0.07 0.51 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.79 3khu h SER 216 N 0.88 0.21 -0.19 3.07 0.87 -0.95 -0.19 113.55 117.26 3khu h SER 216 Ca 0.32 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3khu h SER 216 Cb 0.14 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3khu h SER 216 CO -0.10 0.62 0.11 -0.33 -0.53 0.00 0.00 176.83 176.60 3khu h GLU 217 N -0.19 0.23 -0.19 2.24 5.08 -1.11 -2.76 114.58 117.87 3khu h GLU 217 Ca 0.02 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3khu h GLU 217 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3khu h GLU 217 CO 0.02 0.15 -0.31 1.25 -1.00 0.00 0.00 179.01 179.12 3khu h LEU 218 N 0.24 0.38 -1.53 1.33 5.85 -0.99 -2.86 115.31 117.73 3khu h LEU 218 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3khu h LEU 218 Cb -0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3khu h LEU 218 CO -0.03 0.68 0.19 0.28 -0.34 0.00 0.00 178.44 179.22 3khu h SER 219 N 0.33 0.45 -0.11 1.25 0.02 -0.74 -0.43 113.55 114.32 3khu h SER 219 Ca 0.04 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3khu h SER 219 Cb 0.72 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3khu h SER 219 CO 0.05 0.38 -0.17 0.50 -1.14 0.00 0.00 176.83 176.45 3khu h LYS 220 N 0.51 0.32 -0.42 3.45 1.63 -1.36 0.08 116.57 120.78 3khu h LYS 220 Ca 0.13 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3khu h LYS 220 Cb 0.04 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3khu h LYS 220 CO -0.02 0.76 0.10 -0.07 -3.45 0.00 0.00 179.45 176.77 3khu h LEU 221 N -0.10 0.63 -0.52 5.20 3.38 -1.57 -2.90 115.31 119.44 3khu h LEU 221 Ca 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3khu h LEU 221 Cb 0.73 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3khu h LEU 221 CO 0.04 0.70 0.14 0.00 0.09 0.00 0.00 178.44 179.41 3khu h ALA 222 N 0.96 0.69 -0.50 1.53 0.00 -1.06 -0.05 119.26 120.83 3khu h ALA 222 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3khu h ALA 222 Cb 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3khu h ALA 222 CO 0.00 0.38 0.29 0.00 0.00 0.00 0.00 179.25 179.91 3khu h ALA 223 N 1.01 0.64 -0.48 0.00 0.00 -0.92 0.18 119.26 119.68 3khu h ALA 223 Ca 0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3khu h ALA 223 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3khu h ALA 223 CO 0.00 -0.03 -0.08 -0.91 0.00 0.00 0.00 179.25 178.24 3khu h ASN 224 N 0.57 0.84 -0.86 0.00 2.35 -1.28 -1.16 115.58 116.04 3khu h ASN 224 Ca 0.20 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3khu h ASN 224 Cb 0.05 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3khu h ASN 224 CO -0.11 0.95 0.50 0.00 -1.65 0.00 0.00 177.43 177.12 3khu h ALA 225 N 1.13 1.25 -0.39 -0.83 0.00 -0.03 0.00 119.26 120.39 3khu h ALA 225 Ca 0.13 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3khu h ALA 225 Cb 0.58 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3khu h ALA 225 CO 0.04 0.62 -0.36 0.74 0.00 0.00 0.00 179.25 180.29 3khu h PHE 226 N 1.20 1.10 -0.33 0.00 -1.00 -0.11 -0.17 116.94 117.63 3khu h PHE 226 Ca 0.31 -0.32 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 3khu h PHE 226 Cb -0.01 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3khu h PHE 226 CO 0.01 1.14 0.06 -0.07 -1.61 0.00 0.00 178.31 177.84 3khu h LEU 227 N 0.76 0.52 -1.20 1.54 3.38 -0.87 -1.87 115.31 117.57 3khu h LEU 227 Ca 0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3khu h LEU 227 Cb 0.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3khu h LEU 227 CO 0.09 0.63 -0.04 0.00 0.09 0.00 0.00 178.44 179.21 3khu h ALA 228 N 0.90 1.35 -0.51 1.53 0.00 -0.87 -2.52 119.26 119.13 3khu h ALA 228 Ca 0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3khu h ALA 228 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3khu h ALA 228 CO 0.00 0.45 -0.00 0.37 0.00 0.00 0.00 179.25 180.07 3khu h GLN 229 N 0.48 0.87 -0.77 0.00 4.15 -0.64 -0.74 115.11 118.45 3khu h GLN 229 Ca 0.10 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 3khu h GLN 229 Cb 0.37 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3khu h GLN 229 CO 0.02 0.87 0.36 0.00 -1.93 0.00 0.00 178.83 178.14 3khu h ARG 230 N 0.81 1.11 -0.16 1.69 3.08 -0.91 0.16 114.38 120.15 3khu h ARG 230 Ca 0.15 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3khu h ARG 230 Cb 0.49 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3khu h ARG 230 CO 0.02 0.86 -0.25 0.82 -1.07 0.00 0.00 179.97 180.35 3khu h ILE 231 N 1.10 1.35 -0.49 2.04 2.04 -1.25 -1.88 117.51 120.42 3khu h ILE 231 Ca 0.26 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 3khu h ILE 231 Cb 0.13 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3khu h ILE 231 CO -0.03 0.44 0.15 0.28 0.00 0.00 0.00 178.15 178.99 3khu h SER 232 N 0.10 0.66 -0.11 1.72 0.02 -0.90 0.17 113.55 115.20 3khu h SER 232 Ca 0.02 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3khu h SER 232 Cb 0.83 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3khu h SER 232 CO 0.06 0.63 -0.00 0.28 -1.14 0.00 0.00 176.83 176.65 3khu h SER 233 N 0.70 0.20 0.05 3.07 0.02 -0.57 0.13 113.55 117.15 3khu h SER 233 Ca 0.16 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 3khu h SER 233 Cb 0.21 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3khu h SER 233 CO -0.01 0.47 -0.32 -0.29 -1.14 0.00 0.00 176.83 175.54 3khu h ILE 234 N -0.07 1.28 -0.50 3.27 6.09 -1.22 -1.67 117.51 124.70 3khu h ILE 234 Ca 0.03 -1.36 -0.05 0.00 -1.37 0.00 0.00 64.86 62.11 3khu h ILE 234 Cb 0.37 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 3khu h ILE 234 CO 0.01 0.42 0.09 0.78 -3.07 0.00 0.00 178.15 176.38 3khu h ASN 235 N 0.34 0.72 -0.70 2.19 2.35 -0.74 -0.41 115.58 119.33 3khu h ASN 235 Ca 0.04 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3khu h ASN 235 Cb 0.73 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3khu h ASN 235 CO 0.06 0.73 0.26 0.77 -1.65 0.00 0.00 177.43 177.59 3khu h SER 236 N 0.74 0.99 -0.25 5.81 4.64 -0.04 -1.15 113.55 124.29 3khu h SER 236 Ca 0.16 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3khu h SER 236 Cb 0.31 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3khu h SER 236 CO 0.00 0.91 0.12 0.40 -0.87 0.00 0.00 176.83 177.39 3khu h ILE 237 N 1.02 1.12 -0.56 0.95 1.08 -0.71 -2.57 117.51 117.83 3khu h ILE 237 Ca 0.23 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3khu h ILE 237 Cb 0.24 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3khu h ILE 237 CO -0.01 0.14 0.33 0.77 -0.69 0.00 0.00 178.15 178.69 3khu h SER 238 N 0.42 0.67 -0.24 1.72 4.64 0.19 0.70 113.55 121.65 3khu h SER 238 Ca 0.10 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 3khu h SER 238 Cb 0.09 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3khu h SER 238 CO -0.01 0.52 -0.31 0.00 -0.87 0.00 0.00 176.83 176.16 3khu h ALA 239 N 1.59 0.81 -0.12 5.18 0.00 -1.20 -2.23 119.26 123.28 3khu h ALA 239 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3khu h ALA 239 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3khu h ALA 239 CO -0.04 0.64 -0.52 1.25 0.00 0.00 0.00 179.25 180.59 3khu h LEU 240 N 0.63 0.38 -0.28 0.00 5.85 -1.11 -2.44 115.31 118.34 3khu h LEU 240 Ca 0.07 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3khu h LEU 240 Cb 0.83 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3khu h LEU 240 CO 0.07 0.83 0.16 0.00 -0.34 0.00 0.00 178.44 179.16 3khu h GLU 242 N 0.34 0.32 0.00 0.00 5.08 -1.16 -0.56 114.58 118.60 3khu h GLU 242 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3khu h GLU 242 Cb 0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3khu h GLU 242 CO -0.02 0.21 -0.33 0.00 -1.00 0.00 0.00 179.01 177.88 3khu h ALA 243 N 1.85 0.80 0.00 3.43 0.00 -1.18 -3.40 119.26 120.76 3khu h ALA 243 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3khu h ALA 243 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3khu h ALA 243 CO -0.02 0.00 -1.11 0.25 0.00 0.00 0.00 179.25 178.37 3khu n THR 244 N -2.36 0.10 0.00 0.00 -2.24 -0.86 -5.02 114.28 103.90 3khu n THR 244 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3khu n THR 244 Cb 0.46 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 2.81 0.35 3.72 3.38 0.00 -0.27 -5.08 105.19 110.10 3khu n GLY 245 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 1.88 -0.12 4.61 0.00 -1.22 -4.87 121.76 120.04 3khu s ALA 246 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3khu s ALA 246 Cb 0.00 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3khu s ALA 246 CO 0.00 -2.24 -0.20 0.34 0.00 0.00 0.00 175.76 173.66 3khu s ASP 247 N -3.05 2.85 0.41 0.00 2.15 -1.26 -4.47 116.67 113.30 3khu s ASP 247 Ca 0.64 -0.53 0.11 0.00 0.43 0.00 0.00 52.55 53.20 3khu s ASP 247 Cb -0.20 -1.31 0.86 0.00 -0.30 0.00 0.00 42.92 41.98 3khu s ASP 247 CO 0.57 0.07 1.94 1.62 -0.17 0.00 0.00 175.17 179.20 3khu h VAL 248 N 5.86 1.16 -0.27 1.11 3.04 -1.59 -1.08 116.25 124.48 3khu h VAL 248 Ca -0.30 -0.73 -0.15 0.00 -1.01 0.00 0.00 66.70 64.50 3khu h VAL 248 Cb 1.19 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3khu h VAL 248 CO 0.52 0.22 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.51 3khu h GLU 249 N 0.14 0.70 -0.40 4.17 4.39 -1.94 0.89 114.58 122.53 3khu h GLU 249 Ca 0.03 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 3khu h GLU 249 Cb 0.36 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3khu h GLU 249 CO 0.02 1.01 0.18 0.93 -1.16 0.00 0.00 179.01 179.99 3khu h GLU 250 N 0.56 0.58 -0.41 2.33 5.08 -1.69 -1.48 114.58 119.54 3khu h GLU 250 Ca 0.03 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3khu h GLU 250 Cb 1.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3khu h GLU 250 CO 0.10 0.52 -0.32 0.28 -1.00 0.00 0.00 179.01 178.59 3khu h VAL 251 N 0.50 1.27 -0.56 3.13 2.07 -1.00 -1.33 116.25 120.34 3khu h VAL 251 Ca 0.14 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.18 3khu h VAL 251 Cb 0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3khu h VAL 251 CO -0.02 0.50 0.36 0.00 0.02 0.00 0.00 177.57 178.44 3khu h ALA 252 N 0.80 0.72 -0.31 1.67 0.00 -0.80 0.09 119.26 121.43 3khu h ALA 252 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3khu h ALA 252 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3khu h ALA 252 CO 0.08 0.12 0.13 1.15 0.00 0.00 0.00 179.25 180.73 3khu h THR 253 N 0.73 1.18 -0.49 0.00 2.02 -1.00 -0.48 112.91 114.86 3khu h THR 253 Ca 0.21 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3khu h THR 253 Cb -0.05 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3khu h THR 253 CO -0.06 0.19 0.18 0.00 0.37 0.00 0.00 175.52 176.20 3khu h ALA 254 N 0.98 0.64 -0.10 6.16 0.00 -0.70 -2.27 119.26 123.97 3khu h ALA 254 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3khu h ALA 254 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3khu h ALA 254 CO -0.01 0.26 0.04 0.82 0.00 0.00 0.00 179.25 180.36 3khu h ILE 255 N 0.65 1.13 0.00 0.00 2.04 -0.94 -3.20 117.51 117.20 3khu h ILE 255 Ca 0.16 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3khu h ILE 255 Cb 0.22 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3khu h ILE 255 CO -0.01 0.12 0.00 1.23 0.00 0.00 0.00 178.15 179.49 3khu h GLY 256 N 0.01 0.00 1.90 5.37 0.00 -0.78 -2.28 103.07 107.29 3khu h GLY 256 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3khu h GLY 256 CO -0.00 0.00 -0.07 1.03 0.00 0.00 0.00 176.54 177.50 3khu n MET 257 N -2.58 0.17 -2.21 4.80 2.81 -0.88 -3.05 117.12 116.17 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 0.18 -1.68 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 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 -3.95 6.37 0.24 7.83 -1.08 -0.86 -4.90 116.67 120.33 3khu s ASP 258 Ca 0.11 1.34 0.21 0.00 -0.52 0.00 0.00 52.55 53.69 3khu s ASP 258 Cb 0.15 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 40.02 3khu s ASP 258 CO 0.59 -1.31 1.63 0.00 0.52 0.00 0.00 175.17 176.60 3khu n GLN 259 N 7.76 0.15 0.16 4.34 6.02 -1.26 -0.70 117.38 133.84 3khu n GLN 259 Ca 0.18 0.49 0.04 0.00 -0.01 0.00 0.00 57.00 57.70 3khu n GLN 259 Cb 0.46 -1.85 0.12 0.00 1.02 0.00 0.00 30.24 29.99 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 0.07 -1.09 3.08 -1.93 -3.31 114.38 111.19 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 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3khu h ARG 260 CO 0.00 0.43 -2.22 -0.89 -1.07 0.00 0.00 179.97 176.21 3khu n ILE 261 N -3.27 1.64 -0.02 2.04 5.41 -0.15 -5.11 119.36 119.91 3khu n ILE 261 Ca 0.02 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.16 3khu n ILE 261 Cb 0.67 -1.59 -0.00 0.00 -0.71 0.00 0.00 39.64 38.00 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 2.11 -2.53 0.75 7.39 0.00 0.12 -4.81 105.19 108.22 3khu n GLY 262 Ca -0.39 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.10 3.05 -4.92 1.61 0.23 -1.17 -4.36 115.26 107.60 3khu n ASN 263 Ca -0.00 -1.98 -0.28 0.00 -0.53 0.00 0.00 54.58 51.79 3khu n ASN 263 Cb 0.01 -0.26 -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 -1.01 3.54 -1.40 -3.83 -0.14 -1.26 -4.49 119.74 111.16 3khu s LYS 264 Ca 0.27 -0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.51 3khu s LYS 264 Cb 0.14 -2.81 0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3khu s LYS 264 CO 0.19 0.38 1.13 1.19 -0.76 0.00 0.00 175.35 177.47 3khu n PHE 265 N -0.64 -2.76 -1.71 3.18 0.99 -1.26 -4.91 117.46 110.36 3khu n PHE 265 Ca -0.04 0.98 0.06 0.00 -0.00 0.00 0.00 57.45 58.45 3khu n PHE 265 Cb 0.54 -4.84 0.15 0.00 -1.00 0.00 0.00 39.48 34.33 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 -4.92 2.19 -4.50 4.37 4.77 -1.26 -3.94 117.00 113.71 3khu n LEU 266 Ca 0.01 -3.27 -0.43 0.00 -0.03 0.00 0.00 56.01 52.29 3khu n LEU 266 Cb 0.56 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3khu n LEU 266 CO 0.66 1.06 0.51 -0.54 -1.33 0.00 0.00 177.39 177.76 3khu s LYS 267 N -2.40 3.27 0.68 3.23 3.01 -1.26 -4.85 119.74 121.42 3khu s LYS 267 Ca 0.34 -0.44 -0.17 0.00 -1.01 0.00 0.00 55.97 54.69 3khu s LYS 267 Cb 0.34 -4.02 0.01 0.00 -1.01 0.00 0.00 37.83 33.14 3khu s LYS 267 CO -0.07 -1.23 1.29 0.00 0.51 0.00 0.00 175.35 175.84 3khu n ALA 268 N 6.68 0.98 -3.63 5.17 0.00 -1.26 -4.97 120.51 123.48 3khu n ALA 268 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 3khu n ALA 268 Cb 0.47 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.50 -0.23 0.63 0.00 1.04 -1.26 -4.75 113.70 107.62 3khu s SER 269 Ca 0.81 -0.65 0.40 0.00 0.48 0.00 0.00 55.95 56.99 3khu s SER 269 Cb -0.37 0.68 2.09 0.00 0.10 0.00 0.00 66.02 68.52 3khu s SER 269 CO 0.42 -1.26 2.26 1.62 0.98 0.00 0.00 173.24 177.26 3khu h VAL 270 N 2.08 0.10 0.00 5.02 3.04 -1.44 -3.46 116.25 121.59 3khu h VAL 270 Ca -0.22 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3khu h VAL 270 Cb 1.25 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3khu h VAL 270 CO 0.28 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 3khu n GLY 271 N -0.85 4.31 3.77 3.17 0.00 -1.26 -3.06 105.19 111.27 3khu n GLY 271 Ca -0.02 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.60 2.64 0.00 1.61 -0.12 -1.26 -4.53 117.98 114.72 3khu s PHE 272 Ca 0.00 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 58.43 3khu s PHE 272 Cb 0.00 -3.25 0.00 0.00 -0.63 0.00 0.00 43.02 39.14 3khu s PHE 272 CO 0.00 -1.64 0.00 0.41 -0.05 0.00 0.00 175.22 173.94 3khu n GLY 273 N -0.07 5.36 0.00 1.99 0.00 -1.26 -4.68 105.19 106.53 3khu n GLY 273 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.42 1.90 0.08 -0.02 0.00 0.44 -4.63 105.19 103.38 3khu n GLY 274 Ca 0.00 -1.96 0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 0.24 -0.08 1.61 3.41 -1.26 -4.25 113.62 113.29 3khu n SER 275 Ca 0.00 -1.03 -0.11 0.00 -0.26 0.00 0.00 58.87 57.48 3khu n SER 275 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.85 -0.62 -0.12 0.00 0.04 -1.82 0.14 116.94 113.71 3khu h PHE 277 Ca -0.10 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3khu h PHE 277 Cb 0.96 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 3khu h PHE 277 CO -0.32 -0.32 0.07 0.37 -0.60 0.00 0.00 178.31 177.51 3khu h GLN 278 N -0.82 0.16 -0.49 1.51 4.15 -1.89 -0.61 115.11 117.12 3khu h GLN 278 Ca -0.07 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.38 3khu h GLN 278 Cb 0.58 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 3khu h GLN 278 CO 0.11 0.18 0.23 -0.22 -1.93 0.00 0.00 178.83 177.20 3khu h LYS 279 N 0.10 0.44 -0.35 1.69 3.64 -1.80 0.29 116.57 120.58 3khu h LYS 279 Ca 0.04 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 3khu h LYS 279 Cb 0.06 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3khu h LYS 279 CO -0.01 0.29 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.58 3khu h ASP 280 N 0.45 1.00 -0.24 4.20 3.32 -0.53 -1.32 116.42 123.30 3khu h ASP 280 Ca 0.22 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 3khu h ASP 280 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3khu h ASP 280 CO -0.17 1.29 0.03 0.58 -1.72 0.00 0.00 179.24 179.25 3khu h VAL 281 N 0.73 1.23 -0.42 -1.35 2.07 -0.83 -0.60 116.25 117.09 3khu h VAL 281 Ca 0.04 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3khu h VAL 281 Cb 1.05 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3khu h VAL 281 CO 0.11 0.25 0.15 -0.07 0.02 0.00 0.00 177.57 178.02 3khu h LEU 282 N 0.20 0.55 -0.70 2.57 3.38 -0.92 -0.32 115.31 120.07 3khu h LEU 282 Ca 0.07 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3khu h LEU 282 Cb 0.34 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3khu h LEU 282 CO 0.01 0.51 0.13 -1.13 0.09 0.00 0.00 178.44 178.05 3khu h ASN 283 N 0.60 1.08 -0.40 -0.43 -0.73 -0.89 -0.90 115.58 113.91 3khu h ASN 283 Ca 0.14 -0.25 0.04 0.00 1.87 0.00 0.00 56.30 58.10 3khu h ASN 283 Cb 0.15 -0.29 -0.04 0.00 0.27 0.00 0.00 38.32 38.42 3khu h ASN 283 CO -0.01 1.06 0.18 0.25 -0.37 0.00 0.00 177.43 178.53 3khu h LEU 284 N 1.07 0.24 -0.72 0.34 5.85 -0.12 0.51 115.31 122.48 3khu h LEU 284 Ca 0.21 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3khu h LEU 284 Cb 0.42 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3khu h LEU 284 CO 0.01 0.18 0.47 0.58 -0.34 0.00 0.00 178.44 179.34 3khu h VAL 285 N 0.36 1.19 -0.44 1.05 2.07 -0.81 -1.02 116.25 118.65 3khu h VAL 285 Ca 0.17 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3khu h VAL 285 Cb 0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3khu h VAL 285 CO -0.14 0.18 -0.19 0.22 0.02 0.00 0.00 177.57 177.66 3khu h TYR 286 N 0.97 1.03 -0.60 1.57 3.20 -0.80 -1.39 116.97 120.96 3khu h TYR 286 Ca 0.26 -0.25 0.10 0.00 3.14 0.00 0.00 58.73 61.98 3khu h TYR 286 Cb -0.10 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 37.85 3khu h TYR 286 CO -0.02 1.04 0.17 1.25 -1.64 0.00 0.00 178.16 178.96 3khu h LEU 287 N 0.73 0.11 -0.22 2.82 5.85 -0.41 -1.00 115.31 123.20 3khu h LEU 287 Ca 0.10 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3khu h LEU 287 Cb 0.76 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3khu h LEU 287 CO 0.06 0.07 0.12 0.00 -0.34 0.00 0.00 178.44 178.35 3khu h GLU 289 N 0.26 1.14 0.00 0.00 5.08 -1.02 -0.08 114.58 119.96 3khu h GLU 289 Ca 0.08 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3khu h GLU 289 Cb 0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3khu h GLU 289 CO -0.01 0.78 -0.09 0.00 -1.00 0.00 0.00 179.01 178.69 3khu h ALA 290 N 1.29 1.18 -0.67 3.43 0.00 -0.54 -2.64 119.26 121.30 3khu h ALA 290 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3khu h ALA 290 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3khu h ALA 290 CO -0.06 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3khu n LEU 291 N -3.46 4.40 -3.66 0.00 4.77 -0.41 -4.95 117.00 113.69 3khu n LEU 291 Ca -0.01 -2.21 -0.22 0.00 -0.03 0.00 0.00 56.01 53.53 3khu n LEU 291 Cb 0.24 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3khu n LEU 291 CO 0.28 0.86 0.04 0.59 -1.33 0.00 0.00 177.39 177.82 3khu n ASN 292 N 1.30 -2.51 -3.32 -1.43 3.02 -1.00 -4.96 115.26 106.36 3khu n ASN 292 Ca 0.25 -0.74 -0.28 0.00 -0.03 0.00 0.00 54.58 53.78 3khu n ASN 292 Cb 0.78 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 35.52 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 -4.39 4.22 0.02 3.41 4.77 -0.13 -4.93 117.00 119.97 3khu n LEU 293 Ca -0.21 -5.50 0.01 0.00 -0.03 0.00 0.00 56.01 50.28 3khu n LEU 293 Cb 0.64 -0.68 0.34 0.00 -2.33 0.00 0.00 43.42 41.39 3khu n LEU 293 CO 0.68 2.12 0.99 1.55 -1.33 0.00 0.00 177.39 181.40 3khu h PRO 294 N 3.90 0.49 -0.75 3.23 0.13 -1.90 -0.99 132.00 136.11 3khu h PRO 294 Ca 0.19 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3khu h PRO 294 Cb 0.60 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.62 3khu h PRO 294 CO 0.87 0.48 0.41 0.93 -0.23 0.00 0.00 178.00 180.46 3khu h GLU 295 N 0.48 1.05 -0.19 0.86 3.07 -1.96 -0.36 114.58 117.53 3khu h GLU 295 Ca 0.11 -0.12 -0.19 0.00 -0.50 0.00 0.00 59.36 58.66 3khu h GLU 295 Cb 0.23 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3khu h GLU 295 CO 0.00 0.78 -0.63 0.28 -1.40 0.00 0.00 179.01 178.04 3khu h VAL 296 N 1.04 1.30 -0.35 3.13 2.07 -1.81 -2.05 116.25 119.58 3khu h VAL 296 Ca 0.26 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.95 3khu h VAL 296 Cb 0.04 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3khu h VAL 296 CO -0.04 0.59 0.12 0.00 0.02 0.00 0.00 177.57 178.26 3khu h ALA 297 N 0.77 0.40 -0.54 1.67 0.00 -0.95 -2.14 119.26 118.48 3khu h ALA 297 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3khu h ALA 297 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3khu h ALA 297 CO 0.13 -0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.24 3khu h ARG 298 N 0.27 0.83 -0.16 0.00 3.08 -0.97 -0.93 114.38 116.50 3khu h ARG 298 Ca 0.16 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3khu h ARG 298 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3khu h ARG 298 CO -0.16 0.74 0.06 -0.92 -1.07 0.00 0.00 179.97 178.63 3khu h TYR 299 N 0.80 0.24 0.00 3.04 3.20 -0.98 -3.05 116.97 120.22 3khu h TYR 299 Ca 0.18 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3khu h TYR 299 Cb 0.29 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3khu h TYR 299 CO 0.02 0.31 -0.45 -1.49 -1.64 0.00 0.00 178.16 174.91 3khu h TRP 300 N 0.10 0.00 -0.32 -3.82 4.06 -1.25 -3.07 115.95 111.65 3khu h TRP 300 Ca 0.05 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.02 3khu h TRP 300 Cb 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 3khu h TRP 300 CO -0.01 0.45 0.21 0.37 -3.56 0.00 0.00 178.44 175.91 3khu h GLN 301 N 0.00 0.37 -0.55 0.49 5.75 -1.07 -2.21 115.11 117.91 3khu h GLN 301 Ca -0.00 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 3khu h GLN 301 Cb 1.20 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.63 3khu h GLN 301 CO 0.06 0.25 0.37 1.96 -2.65 0.00 0.00 178.83 178.82 3khu h GLN 302 N 0.39 0.30 -0.59 1.69 1.08 -1.46 -0.16 115.11 116.35 3khu h GLN 302 Ca 0.12 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3khu h GLN 302 Cb 0.03 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 3khu h GLN 302 CO -0.03 0.20 0.32 0.28 -0.95 0.00 0.00 178.83 178.65 3khu h VAL 303 N 0.31 0.98 -0.06 -0.54 2.07 -1.57 -0.23 116.25 117.20 3khu h VAL 303 Ca 0.25 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3khu h VAL 303 Cb 0.59 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3khu h VAL 303 CO -0.06 0.11 -0.14 0.40 0.02 0.00 0.00 177.57 177.90 3khu h ILE 304 N 0.62 1.42 -0.94 4.57 1.08 -1.34 -2.68 117.51 120.24 3khu h ILE 304 Ca 0.26 -1.48 0.10 0.00 -0.39 0.00 0.00 64.86 63.34 3khu h ILE 304 Cb 0.13 2.24 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 3khu h ILE 304 CO -0.16 0.41 0.60 0.44 -0.69 0.00 0.00 178.15 178.76 3khu h ASP 305 N -0.29 0.88 -0.33 1.72 3.32 -0.89 0.68 116.42 121.50 3khu h ASP 305 Ca -0.00 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 3khu h ASP 305 Cb 0.74 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3khu h ASP 305 CO 0.03 0.51 -0.43 -0.03 -1.72 0.00 0.00 179.24 177.60 3khu h MET 306 N 0.96 0.88 -0.51 3.56 4.05 -1.06 0.63 114.93 123.44 3khu h MET 306 Ca 0.44 -0.50 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3khu h MET 306 Cb 0.39 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3khu h MET 306 CO -0.20 1.14 0.33 -0.97 0.23 0.00 0.00 176.91 177.44 3khu h ASN 307 N 0.67 0.60 -0.92 1.39 -1.24 -0.98 0.43 115.58 115.52 3khu h ASN 307 Ca 0.04 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3khu h ASN 307 Cb 1.03 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.89 3khu h ASN 307 CO 0.10 0.45 0.54 0.44 -1.29 0.00 0.00 177.43 177.67 3khu h ASP 308 N 0.69 1.13 -0.51 1.15 3.32 -0.48 -2.33 116.42 119.38 3khu h ASP 308 Ca 0.19 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3khu h ASP 308 Cb -0.05 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 3khu h ASP 308 CO -0.04 0.88 -0.14 0.22 -1.72 0.00 0.00 179.24 178.44 3khu h TYR 309 N 1.28 1.13 -0.49 4.55 3.20 -0.46 -1.88 116.97 124.30 3khu h TYR 309 Ca 0.33 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3khu h TYR 309 Cb -0.03 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3khu h TYR 309 CO 0.01 1.07 0.30 0.37 -1.64 0.00 0.00 178.16 178.26 3khu h GLN 310 N 0.87 0.66 -0.36 1.82 5.75 -0.50 0.86 115.11 124.20 3khu h GLN 310 Ca 0.13 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3khu h GLN 310 Cb 0.71 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 3khu h GLN 310 CO 0.05 0.48 0.15 0.00 -2.65 0.00 0.00 178.83 176.86 3khu h ARG 311 N 0.65 0.53 -0.30 1.69 3.08 -1.35 -2.26 114.38 116.42 3khu h ARG 311 Ca 0.18 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3khu h ARG 311 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3khu h ARG 311 CO -0.03 0.51 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.23 3khu h ARG 312 N 0.44 0.57 -0.09 0.04 2.43 -0.89 -1.17 114.38 115.70 3khu h ARG 312 Ca 0.12 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 3khu h ARG 312 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3khu h ARG 312 CO -0.01 0.75 -0.45 0.07 -1.51 0.00 0.00 179.97 178.83 3khu h ARG 313 N 0.35 0.22 -0.04 0.20 0.11 -0.86 0.22 114.38 114.58 3khu h ARG 313 Ca 0.08 -0.11 0.01 0.00 0.10 0.00 0.00 59.98 60.05 3khu h ARG 313 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 3khu h ARG 313 CO 0.03 0.63 -0.00 0.35 0.10 0.00 0.00 179.97 181.07 3khu h PHE 314 N 0.18 -0.01 -0.46 4.08 3.57 -1.18 -0.85 116.94 122.28 3khu h PHE 314 Ca 0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3khu h PHE 314 Cb 0.86 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 3khu h PHE 314 CO 0.01 -0.01 0.23 0.00 -2.23 0.00 0.00 178.31 176.31 3khu h ALA 315 N 1.04 0.58 -0.46 2.41 0.00 -0.40 -2.07 119.26 120.35 3khu h ALA 315 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3khu h ALA 315 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3khu h ALA 315 CO -0.03 -0.13 0.26 0.77 0.00 0.00 0.00 179.25 180.12 3khu h SER 316 N 0.45 0.56 -0.46 0.00 0.02 -0.31 -1.33 113.55 112.48 3khu h SER 316 Ca 0.20 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3khu h SER 316 Cb 0.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3khu h SER 316 CO -0.15 0.45 0.21 0.03 -1.14 0.00 0.00 176.83 176.24 3khu h ARG 317 N 0.64 0.66 0.04 3.45 3.08 -0.46 0.02 114.38 121.81 3khu h ARG 317 Ca 0.17 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3khu h ARG 317 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3khu h ARG 317 CO -0.03 0.57 -0.06 0.82 -1.07 0.00 0.00 179.97 180.20 3khu h ILE 318 N 0.59 0.86 -0.31 2.04 2.04 -0.92 -0.41 117.51 121.39 3khu h ILE 318 Ca 0.16 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3khu h ILE 318 Cb 0.13 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3khu h ILE 318 CO -0.02 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.47 3khu h ILE 319 N -0.13 1.28 -0.87 -0.67 2.04 -1.11 -1.71 117.51 116.34 3khu h ILE 319 Ca 0.01 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3khu h ILE 319 Cb 0.13 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3khu h ILE 319 CO -0.03 0.35 0.55 -0.78 0.00 0.00 0.00 178.15 178.23 3khu h ASP 320 N 0.37 1.02 0.06 1.72 3.58 -0.93 0.54 116.42 122.78 3khu h ASP 320 Ca 0.08 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 3khu h ASP 320 Cb 0.54 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3khu h ASP 320 CO 0.03 0.76 -0.12 0.28 -2.88 0.00 0.00 179.24 177.31 3khu h SER 321 N 1.18 0.13 -0.71 2.28 0.02 -0.32 -2.14 113.55 113.99 3khu h SER 321 Ca 0.31 -0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.85 3khu h SER 321 Cb -0.09 -0.04 -0.22 0.00 0.14 0.00 0.00 62.40 62.20 3khu h SER 321 CO -0.06 0.27 0.50 0.18 -1.14 0.00 0.00 176.83 176.58 3khu n LEU 322 N -4.32 5.89 -1.01 5.07 4.77 -0.71 -4.89 117.00 121.80 3khu n LEU 322 Ca -0.01 -3.12 -0.12 0.00 -0.03 0.00 0.00 56.01 52.72 3khu n LEU 322 Cb 0.23 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 3khu n LEU 322 CO 0.37 0.96 -0.12 0.49 -1.33 0.00 0.00 177.39 177.76 3khu n PHE 323 N -0.60 -0.14 -1.76 -1.77 0.99 -0.80 -2.73 117.46 110.65 3khu n PHE 323 Ca 0.43 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.70 3khu n PHE 323 Cb 1.22 -2.30 -0.06 0.00 -1.00 0.00 0.00 39.48 37.35 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 0.02 -5.13 -3.77 4.37 5.15 0.13 -4.99 115.26 111.04 3khu n ASN 324 Ca -0.12 0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 54.01 3khu n ASN 324 Cb 0.44 -4.19 -0.16 0.00 -0.53 0.00 0.00 39.78 35.34 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 -2.72 -0.06 0.00 -0.44 -1.32 -1.10 -5.00 115.64 104.99 3khu s THR 325 Ca 0.00 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 3khu s THR 325 Cb 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 72.50 70.90 3khu s THR 325 CO 0.00 0.09 0.39 0.52 -2.21 0.00 0.00 174.62 173.41 3khu n VAL 326 N 4.22 0.13 -1.67 5.08 0.31 -1.26 -4.83 118.33 120.31 3khu n VAL 326 Ca -0.27 -0.33 -0.49 0.00 -0.01 0.00 0.00 64.34 63.24 3khu n VAL 326 Cb 0.50 1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 34.67 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 -0.06 0.29 -1.12 2.52 -1.04 -0.97 -1.21 114.28 112.69 3khu n THR 327 Ca 0.00 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.05 61.92 3khu n THR 327 Cb 0.17 -1.58 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 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 4.94 -5.40 -4.76 8.00 8.00 0.76 -4.92 116.55 123.17 3khu n ASP 328 Ca 0.21 0.10 -0.39 0.00 0.71 0.00 0.00 54.79 55.41 3khu n ASP 328 Cb 0.26 -3.25 -0.06 0.00 -0.02 0.00 0.00 41.12 38.05 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 -2.08 4.39 -0.11 -1.24 1.02 -0.35 -4.72 119.74 116.65 3khu s LYS 329 Ca 0.00 0.89 -0.26 0.00 0.02 0.00 0.00 55.97 56.61 3khu s LYS 329 Cb 0.00 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3khu s LYS 329 CO 0.00 0.39 0.86 0.21 -0.92 0.00 0.00 175.35 175.89 3khu s LYS 330 N -0.36 4.39 -0.04 1.68 2.20 -1.26 0.03 119.74 126.38 3khu s LYS 330 Ca 0.34 1.11 0.03 0.00 -0.36 0.00 0.00 55.97 57.08 3khu s LYS 330 Cb -0.20 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3khu s LYS 330 CO 0.20 -0.20 -0.11 0.42 -0.36 0.00 0.00 175.35 175.31 3khu s ILE 331 N 1.66 0.96 -0.18 5.43 1.01 0.03 -0.82 121.20 129.29 3khu s ILE 331 Ca 0.42 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 3khu s ILE 331 Cb -0.18 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3khu s ILE 331 CO 0.17 0.30 0.59 0.00 0.00 0.00 0.00 174.94 176.00 3khu s ALA 332 N 0.41 3.53 -0.34 9.38 0.00 -0.61 -0.87 121.76 133.26 3khu s ALA 332 Ca -0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 3khu s ALA 332 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3khu s ALA 332 CO 0.02 -0.46 0.19 0.42 0.00 0.00 0.00 175.76 175.93 3khu s ILE 333 N 1.67 4.69 -0.42 0.00 -1.09 -0.12 -0.55 121.20 125.39 3khu s ILE 333 Ca 0.28 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 3khu s ILE 333 Cb -0.16 -3.48 0.06 0.00 -1.58 0.00 0.00 42.46 37.30 3khu s ILE 333 CO 0.11 -0.06 0.27 -0.76 -1.23 0.00 0.00 174.94 173.27 3khu s LEU 334 N 1.61 5.12 0.00 2.97 1.43 0.02 -1.16 118.68 128.66 3khu s LEU 334 Ca 0.04 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 3khu s LEU 334 Cb -0.18 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3khu s LEU 334 CO 0.07 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3khu n GLY 335 N 5.01 2.11 0.00 -3.19 0.00 0.06 -1.44 105.19 107.75 3khu n GLY 335 Ca -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 2.12 0.00 -1.07 1.61 7.35 -1.26 -4.28 117.46 121.94 3khu n PHE 336 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 3khu n PHE 336 Cb 0.00 0.00 0.12 0.00 0.35 0.00 0.00 39.48 39.95 3khu n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3khu s ALA 337 N -1.74 1.90 -0.40 3.13 0.00 -1.26 -4.58 121.76 118.81 3khu s ALA 337 Ca 0.00 0.53 0.26 0.00 0.00 0.00 0.00 51.96 52.75 3khu s ALA 337 Cb 0.00 -3.39 0.96 0.00 0.00 0.00 0.00 23.12 20.69 3khu s ALA 337 CO 0.00 -2.20 1.78 0.27 0.00 0.00 0.00 175.76 175.61 3khu h PHE 338 N -1.26 0.00 -3.04 0.00 -5.15 -1.71 -3.44 116.94 102.34 3khu h PHE 338 Ca -0.44 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.37 3khu h PHE 338 Cb 1.26 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.39 3khu h PHE 338 CO 0.53 0.00 0.22 -1.59 -2.00 0.00 0.00 178.31 175.47 3khu s LYS 339 N -3.34 1.89 0.81 6.09 -2.85 -1.26 -4.52 119.74 116.56 3khu s LYS 339 Ca 0.05 -1.11 -0.11 0.00 -1.00 0.00 0.00 55.97 53.80 3khu s LYS 339 Cb 0.09 0.61 0.08 0.00 -2.06 0.00 0.00 37.83 36.55 3khu s LYS 339 CO 0.51 -0.87 1.09 -1.59 0.10 0.00 0.00 175.35 174.59 3khu s LYS 340 N -3.54 2.00 -1.05 1.78 -2.85 -1.26 -4.19 119.74 110.62 3khu s LYS 340 Ca 0.13 0.88 -0.04 0.00 -1.00 0.00 0.00 55.97 55.93 3khu s LYS 340 Cb -0.06 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 3khu s LYS 340 CO 0.08 -1.74 0.57 -0.25 0.10 0.00 0.00 175.35 174.11 3khu n ASP 341 N -3.55 -4.90 -3.53 0.03 8.00 -1.26 -5.00 116.55 106.34 3khu n ASP 341 Ca 0.08 -0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.20 3khu n ASP 341 Cb 0.55 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 37.94 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 -3.07 0.03 -2.06 -3.53 -1.32 -1.26 -4.88 115.64 99.56 3khu s THR 342 Ca 0.28 -0.28 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 3khu s THR 342 Cb -0.12 -1.07 0.05 0.00 -1.51 0.00 0.00 72.50 69.84 3khu s THR 342 CO 0.35 -0.15 1.18 0.61 -2.21 0.00 0.00 174.62 174.39 3khu n GLY 343 N -0.22 -0.00 3.72 6.08 0.00 -1.26 -4.60 105.19 108.90 3khu n GLY 343 Ca -0.17 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.45 6.90 0.00 1.61 -1.08 -1.26 -4.55 116.67 115.85 3khu s ASP 344 Ca 0.20 2.27 0.10 0.00 -0.52 0.00 0.00 52.55 54.60 3khu s ASP 344 Cb 0.18 -2.59 0.16 0.00 -1.46 0.00 0.00 42.92 39.22 3khu s ASP 344 CO 0.55 -0.58 0.99 0.35 0.52 0.00 0.00 175.17 177.00 3khu n THR 345 N 3.65 0.40 -1.71 1.71 -2.24 -1.26 -2.18 114.28 112.65 3khu n THR 345 Ca 0.10 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 3khu n THR 345 Cb 0.43 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.92 4.13 -1.01 -0.78 0.52 -1.26 -1.33 118.95 118.30 3khu s ARG 346 Ca 0.16 2.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 3khu s ARG 346 Cb 0.10 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.25 3khu s ARG 346 CO 0.14 -0.80 0.00 0.39 0.02 0.00 0.00 175.30 175.05 3khu n GLU 347 N 4.78 -2.00 -2.03 3.54 -0.58 -1.26 -0.42 120.64 122.67 3khu n GLU 347 Ca 0.17 0.57 -0.41 0.00 -0.42 0.00 0.00 57.16 57.06 3khu n GLU 347 Cb 0.36 -5.04 -0.02 0.00 -0.57 0.00 0.00 31.44 26.17 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 -2.00 6.67 0.57 1.62 0.15 -0.44 -3.91 113.70 116.36 3khu s SER 348 Ca 0.00 2.69 0.26 0.00 0.70 0.00 0.00 55.95 59.60 3khu s SER 348 Cb 0.00 -2.63 1.64 0.00 -1.71 0.00 0.00 66.02 63.32 3khu s SER 348 CO 0.00 -0.67 2.18 0.28 1.20 0.00 0.00 173.24 176.24 3khu h SER 349 N 4.49 0.00 0.02 5.45 0.02 -1.83 -0.48 113.55 121.21 3khu h SER 349 Ca -0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 3khu h SER 349 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3khu h SER 349 CO 0.74 0.00 -0.07 0.28 -1.14 0.00 0.00 176.83 176.63 3khu h SER 350 N 0.00 0.13 -0.07 3.07 0.02 -1.85 -0.40 113.55 114.45 3khu h SER 350 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3khu h SER 350 Cb 0.16 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3khu h SER 350 CO -0.00 0.23 0.03 0.40 -1.14 0.00 0.00 176.83 176.34 3khu h ILE 351 N 0.14 1.14 -0.20 3.27 2.04 -1.36 -0.72 117.51 121.81 3khu h ILE 351 Ca 0.03 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 3khu h ILE 351 Cb 0.22 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3khu h ILE 351 CO 0.01 0.12 -0.16 1.88 0.00 0.00 0.00 178.15 179.99 3khu h TYR 352 N -0.04 0.55 -0.76 1.37 -1.99 -1.47 0.73 116.97 115.35 3khu h TYR 352 Ca 0.02 -0.16 0.01 0.00 2.00 0.00 0.00 58.73 60.60 3khu h TYR 352 Cb 0.16 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 3khu h TYR 352 CO -0.02 0.80 0.50 0.82 -0.00 0.00 0.00 178.16 180.26 3khu h ILE 353 N 0.14 1.20 -0.41 -2.88 1.08 -1.13 -0.74 117.51 114.76 3khu h ILE 353 Ca 0.04 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 3khu h ILE 353 Cb 0.69 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3khu h ILE 353 CO 0.04 0.19 0.23 0.28 -0.69 0.00 0.00 178.15 178.21 3khu h SER 354 N 1.03 0.50 -0.77 1.72 0.02 -0.75 -2.35 113.55 112.95 3khu h SER 354 Ca 0.28 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3khu h SER 354 Cb -0.11 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3khu h SER 354 CO -0.06 0.43 0.38 0.11 -1.14 0.00 0.00 176.83 176.55 3khu h LYS 355 N 0.53 1.11 -1.00 3.45 1.57 -0.25 0.08 116.57 122.07 3khu h LYS 355 Ca 0.14 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3khu h LYS 355 Cb 0.03 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 3khu h LYS 355 CO -0.02 0.85 0.66 1.88 -0.57 0.00 0.00 179.45 182.25 3khu h TYR 356 N 1.10 1.25 -0.10 -1.35 0.99 -0.88 -0.81 116.97 117.17 3khu h TYR 356 Ca 0.27 0.03 -0.22 0.00 2.00 0.00 0.00 58.73 60.81 3khu h TYR 356 Cb 0.10 -0.42 0.01 0.00 1.00 0.00 0.00 36.73 37.42 3khu h TYR 356 CO 0.01 0.78 -0.81 -0.07 -0.00 0.00 0.00 178.16 178.07 3khu h LEU 357 N 1.34 0.76 -0.86 3.88 3.38 -0.91 -2.98 115.31 119.91 3khu h LEU 357 Ca 0.37 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3khu h LEU 357 Cb -0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 3khu h LEU 357 CO -0.09 1.30 0.55 0.24 0.09 0.00 0.00 178.44 180.54 3khu h MET 358 N 0.41 1.02 -0.09 1.13 2.86 -0.74 -1.18 114.93 118.34 3khu h MET 358 Ca -0.06 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3khu h MET 358 Cb 1.43 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3khu h MET 358 CO 0.16 0.67 0.15 -0.44 1.06 0.00 0.00 176.91 178.51 3khu h ASP 359 N 1.05 0.00 -0.18 1.22 3.32 -1.00 0.24 116.42 121.07 3khu h ASP 359 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3khu h ASP 359 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 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 -3.54 2.03 -1.79 3.56 -0.58 -0.50 -4.95 120.64 114.87 3khu n GLU 360 Ca -0.01 -1.53 -0.04 0.00 -0.42 0.00 0.00 57.16 55.16 3khu n GLU 360 Cb 0.24 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.35 3.78 0.62 0.00 0.84 -2.30 105.19 109.75 3khu n GLY 361 Ca 0.17 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.18 2.81 -0.57 4.61 0.00 -0.89 -0.17 121.76 125.36 3khu s ALA 362 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 3khu s ALA 362 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.90 3khu s ALA 362 CO 0.00 -0.59 0.66 -1.01 0.00 0.00 0.00 175.76 174.83 3khu s HIS 363 N -1.79 3.04 0.06 0.00 3.76 0.10 -4.70 115.29 115.77 3khu s HIS 363 Ca 0.69 -0.97 -0.24 0.00 -0.15 0.00 0.00 55.06 54.39 3khu s HIS 363 Cb -0.22 -3.92 -0.06 0.00 1.11 0.00 0.00 32.58 29.49 3khu s HIS 363 CO 0.26 -1.22 0.75 -0.51 -0.85 0.00 0.00 174.74 173.16 3khu s LEU 364 N 2.51 4.47 -0.25 0.89 1.43 0.13 -0.79 118.68 127.08 3khu s LEU 364 Ca 0.10 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 3khu s LEU 364 Cb -0.25 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 42.81 3khu s LEU 364 CO 0.06 0.07 -0.10 -1.00 0.23 0.00 0.00 176.35 175.61 3khu s HIS 365 N -0.30 3.13 -0.17 0.29 3.76 -0.05 -0.43 115.29 121.53 3khu s HIS 365 Ca 0.37 -1.96 -0.06 0.00 -0.15 0.00 0.00 55.06 53.26 3khu s HIS 365 Cb -0.21 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 3khu s HIS 365 CO 0.23 -0.82 0.03 0.42 -0.85 0.00 0.00 174.74 173.74 3khu s ILE 366 N 1.21 4.46 -0.07 0.60 1.01 0.18 -0.95 121.20 127.65 3khu s ILE 366 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3khu s ILE 366 Cb -0.18 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3khu s ILE 366 CO -0.06 0.48 -0.14 -0.47 0.00 0.00 0.00 174.94 174.75 3khu s TYR 367 N 0.31 1.65 -0.00 3.97 5.04 -0.31 -0.50 117.35 127.51 3khu s TYR 367 Ca 0.01 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.02 3khu s TYR 367 Cb -0.13 -1.18 0.01 0.00 0.35 0.00 0.00 41.96 41.01 3khu s TYR 367 CO 0.01 -0.29 0.01 0.34 -1.34 0.00 0.00 175.55 174.27 3khu s ASP 368 N 0.57 0.02 0.07 4.32 -1.08 -1.26 -0.76 116.67 118.55 3khu s ASP 368 Ca -0.15 0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.09 3khu s ASP 368 Cb -0.16 -0.01 0.81 0.00 -1.46 0.00 0.00 42.92 42.10 3khu s ASP 368 CO 0.05 -0.02 1.62 -0.81 0.52 0.00 0.00 175.17 176.52 3khu n PRO 369 N 3.29 0.06 0.00 4.34 -0.04 -1.26 -4.26 135.00 137.14 3khu n PRO 369 Ca -0.15 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3khu n PRO 369 Cb 0.58 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.71 1.42 -1.95 0.54 3.00 -1.26 -5.05 118.16 113.15 3khu n LYS 370 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 3khu n LYS 370 Cb 0.23 -0.70 -0.03 0.00 0.00 0.00 0.00 35.03 34.53 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 -1.41 2.86 0.41 3.15 1.01 -1.26 -4.73 120.40 120.44 3khu s VAL 371 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 3khu s VAL 371 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3khu s VAL 371 CO 0.00 0.02 1.23 -2.84 0.00 0.00 0.00 175.10 173.51 3khu s PRO 372 N 1.83 3.96 0.39 2.72 0.02 -1.26 -4.85 135.00 137.82 3khu s PRO 372 Ca 0.71 1.99 0.06 0.00 0.02 0.00 0.00 61.00 63.78 3khu s PRO 372 Cb -0.41 -2.68 0.79 0.00 0.02 0.00 0.00 34.50 32.21 3khu s PRO 372 CO 0.32 -0.44 2.03 0.07 -0.33 0.00 0.00 177.00 178.64 3khu h ARG 373 N 2.58 0.60 -0.01 5.54 0.11 -1.97 -2.14 114.38 119.08 3khu h ARG 373 Ca -0.49 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.46 3khu h ARG 373 Cb 1.24 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 3khu h ARG 373 CO 0.62 0.42 -0.39 0.93 0.10 0.00 0.00 179.97 181.65 3khu h GLU 374 N 0.61 0.03 -0.38 0.08 4.39 -2.00 -2.01 114.58 115.30 3khu h GLU 374 Ca 0.16 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 3khu h GLU 374 Cb -0.03 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3khu h GLU 374 CO -0.03 0.41 -0.18 0.37 -1.16 0.00 0.00 179.01 178.43 3khu h GLN 375 N 0.02 0.80 -0.91 2.33 5.75 -1.78 -1.90 115.11 119.43 3khu h GLN 375 Ca -0.00 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 3khu h GLN 375 Cb 0.70 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 3khu h GLN 375 CO 0.05 0.97 0.52 0.82 -2.65 0.00 0.00 178.83 178.54 3khu h ILE 376 N 0.60 1.26 -0.32 2.39 2.04 -1.29 0.93 117.51 123.11 3khu h ILE 376 Ca 0.09 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3khu h ILE 376 Cb 0.72 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3khu h ILE 376 CO 0.05 0.28 0.10 0.58 0.00 0.00 0.00 178.15 179.16 3khu h VAL 377 N 1.27 1.21 -0.29 1.67 2.07 -1.29 -2.39 116.25 118.49 3khu h VAL 377 Ca 0.32 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3khu h VAL 377 Cb -0.01 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3khu h VAL 377 CO -0.06 0.23 0.16 0.58 0.02 0.00 0.00 177.57 178.51 3khu h VAL 378 N 0.36 1.12 -0.55 2.57 2.07 -0.80 -2.46 116.25 118.57 3khu h VAL 378 Ca 0.10 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3khu h VAL 378 Cb 0.26 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3khu h VAL 378 CO -0.00 0.12 0.36 0.44 0.02 0.00 0.00 177.57 178.51 3khu h ASP 379 N 0.36 0.62 -0.25 0.57 3.32 -0.73 -1.90 116.42 118.41 3khu h ASP 379 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3khu h ASP 379 Cb 0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3khu h ASP 379 CO -0.02 0.45 0.00 0.18 -1.72 0.00 0.00 179.24 178.13 3khu n LEU 380 N -4.45 2.41 -4.93 1.55 4.77 -0.91 -4.93 117.00 110.50 3khu n LEU 380 Ca 0.05 -1.02 -0.27 0.00 -0.03 0.00 0.00 56.01 54.74 3khu n LEU 380 Cb 0.05 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3khu n LEU 380 CO 0.36 0.51 0.07 -0.44 -1.33 0.00 0.00 177.39 176.56 3khu s SER 381 N -1.54 6.39 0.10 -1.43 0.01 -0.72 -4.69 113.70 111.82 3khu s SER 381 Ca 0.34 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.76 3khu s SER 381 Cb 0.19 -2.03 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 3khu s SER 381 CO 0.28 -0.10 1.05 -1.00 0.41 0.00 0.00 173.24 173.88 3khu s HIS 382 N -1.96 3.64 -0.01 2.43 3.76 -1.26 -5.01 115.29 116.88 3khu s HIS 382 Ca 0.40 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.93 3khu s HIS 382 Cb -0.11 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.38 3khu s HIS 382 CO 0.30 -0.37 0.00 -0.35 -0.85 0.00 0.00 174.74 173.47 3khu n PRO 383 N 3.09 0.00 0.00 8.40 -0.04 -1.26 -5.18 135.00 140.01 3khu n PRO 383 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3khu n PRO 383 Cb 0.48 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3khu n PRO 383 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3khu n ASP 389 N 0.92 0.00 -0.04 3.54 3.85 -1.26 -5.30 116.55 118.26 3khu n ASP 389 Ca 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 54.79 54.00 3khu n ASP 389 Cb 0.00 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 3khu n ASP 389 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 3khu h GLN 390 N 0.00 -0.12 -0.63 0.11 4.20 -1.99 -0.98 115.11 115.70 3khu h GLN 390 Ca 0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3khu h GLN 390 Cb 0.00 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 3khu h GLN 390 CO 0.00 -0.08 0.34 0.28 -0.67 0.00 0.00 178.83 178.70 3khu h VAL 391 N -0.13 0.97 -0.19 -0.54 2.07 -1.96 0.91 116.25 117.38 3khu h VAL 391 Ca 0.13 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3khu h VAL 391 Cb 0.32 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3khu h VAL 391 CO -0.30 0.12 0.10 -1.28 0.02 0.00 0.00 177.57 176.22 3khu h SER 392 N 0.64 0.25 -0.63 0.57 0.87 -1.77 -0.44 113.55 113.04 3khu h SER 392 Ca 0.28 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3khu h SER 392 Cb 0.17 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3khu h SER 392 CO -0.17 0.30 0.14 0.03 -0.53 0.00 0.00 176.83 176.59 3khu h ARG 393 N 0.19 1.03 0.00 2.24 3.08 -0.89 -3.39 114.38 116.63 3khu h ARG 393 Ca 0.07 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3khu h ARG 393 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3khu h ARG 393 CO -0.01 0.94 -1.19 1.28 -1.07 0.00 0.00 179.97 179.92 3khu n LEU 394 N -4.30 0.09 -4.34 3.04 4.77 0.29 -4.99 117.00 111.56 3khu n LEU 394 Ca 0.04 -0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 3khu n LEU 394 Cb 0.26 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 3khu n LEU 394 CO 0.42 0.02 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.39 3khu s VAL 395 N -2.45 3.19 -0.09 4.08 1.01 -0.18 -0.69 120.40 125.27 3khu s VAL 395 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3khu s VAL 395 Cb 0.06 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3khu s VAL 395 CO 0.37 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.86 3khu s THR 396 N 0.85 2.35 -0.32 3.92 2.01 0.42 -4.77 115.64 120.10 3khu s THR 396 Ca -0.03 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 3khu s THR 396 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3khu s THR 396 CO 0.01 0.56 0.34 -0.63 -0.69 0.00 0.00 174.62 174.20 3khu s ILE 397 N 0.14 5.19 0.24 1.82 -1.09 -1.26 -0.64 121.20 125.60 3khu s ILE 397 Ca -0.11 0.18 -0.14 0.00 -2.23 0.00 0.00 60.65 58.35 3khu s ILE 397 Cb -0.16 -3.76 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 3khu s ILE 397 CO 0.06 0.01 0.64 -0.44 -1.23 0.00 0.00 174.94 173.98 3khu s SER 398 N 1.71 6.77 0.09 3.58 0.01 0.35 -4.91 113.70 121.31 3khu s SER 398 Ca 0.12 1.14 0.24 0.00 1.31 0.00 0.00 55.95 58.75 3khu s SER 398 Cb -0.16 -2.31 0.20 0.00 0.21 0.00 0.00 66.02 63.95 3khu s SER 398 CO 0.11 -0.07 1.18 0.29 0.41 0.00 0.00 173.24 175.16 3khu n LYS 399 N 0.09 0.31 -3.60 12.44 5.02 -1.26 -4.63 118.16 126.52 3khu n LYS 399 Ca -0.00 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 3khu n LYS 399 Cb 0.52 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3khu n LYS 399 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3khu s ASP 400 N -4.15 -0.29 0.48 4.39 1.47 -1.26 -5.06 116.67 112.24 3khu s ASP 400 Ca 0.05 -0.28 0.27 0.00 1.18 0.00 0.00 52.55 53.77 3khu s ASP 400 Cb 0.14 0.50 1.10 0.00 -0.34 0.00 0.00 42.92 44.31 3khu s ASP 400 CO 0.76 -0.88 1.90 -0.65 0.68 0.00 0.00 175.17 176.97 3khu h PRO 401 N 2.29 0.00 -0.06 2.11 0.11 -1.96 -2.76 132.00 131.73 3khu h PRO 401 Ca -0.34 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 3khu h PRO 401 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3khu h PRO 401 CO 0.45 0.16 -0.83 1.88 -0.21 0.00 0.00 178.00 179.45 3khu h TYR 402 N 0.00 0.69 -0.51 0.65 0.05 -1.98 -1.99 116.97 113.88 3khu h TYR 402 Ca -0.00 -0.33 0.05 0.00 0.05 0.00 0.00 58.73 58.49 3khu h TYR 402 Cb 0.64 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 3khu h TYR 402 CO 0.00 1.13 0.26 0.93 -1.05 0.00 0.00 178.16 179.43 3khu h GLU 403 N 0.31 0.49 -0.90 4.88 5.08 -1.90 -1.98 114.58 120.57 3khu h GLU 403 Ca -0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3khu h GLU 403 Cb 1.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3khu h GLU 403 CO 0.15 0.32 0.55 0.00 -1.00 0.00 0.00 179.01 179.03 3khu h ALA 404 N 1.28 1.28 -0.00 3.43 0.00 -1.28 -2.79 119.26 121.17 3khu h ALA 404 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3khu h ALA 404 Cb 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3khu h ALA 404 CO -0.16 0.63 -0.37 0.00 0.00 0.00 0.00 179.25 179.35 3khu s ASP 406 N -2.92 6.31 -0.07 0.00 -1.08 -0.75 -1.87 116.67 116.28 3khu s ASP 406 Ca 0.14 1.60 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 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 0.64 -1.32 0.00 0.61 0.52 0.00 0.00 175.17 175.62 3khu n GLY 407 N 4.77 0.48 3.84 2.66 0.00 0.77 -5.01 105.19 112.71 3khu n GLY 407 Ca 0.19 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.95 3.18 0.03 4.61 0.00 -0.78 -4.34 121.76 122.52 3khu s ALA 408 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3khu s ALA 408 Cb 0.00 -2.95 -0.25 0.00 0.00 0.00 0.00 23.12 19.92 3khu s ALA 408 CO 0.00 0.19 0.97 0.45 0.00 0.00 0.00 175.76 177.37 3khu h HIS 409 N 1.96 0.21 -3.46 0.00 3.86 -1.26 -1.41 115.15 115.06 3khu h HIS 409 Ca -0.48 -0.16 -0.15 0.00 -1.16 0.00 0.00 60.37 58.42 3khu h HIS 409 Cb 1.18 -0.01 -0.22 0.00 1.06 0.00 0.00 27.41 29.42 3khu h HIS 409 CO 0.62 1.17 -0.49 0.00 0.86 0.00 0.00 177.93 180.10 3khu s ALA 410 N -2.64 -0.36 -0.20 2.45 0.00 -1.26 -2.08 121.76 117.67 3khu s ALA 410 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 3khu s ALA 410 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3khu s ALA 410 CO 0.84 -0.19 -0.07 0.08 0.00 0.00 0.00 175.76 176.43 3khu s VAL 411 N -1.10 3.27 -0.30 0.00 1.01 0.07 -1.57 120.40 121.78 3khu s VAL 411 Ca -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3khu s VAL 411 Cb -0.06 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3khu s VAL 411 CO 0.01 0.45 -0.00 -0.69 0.00 0.00 0.00 175.10 174.87 3khu s VAL 412 N 1.25 3.01 -0.30 2.92 1.01 0.29 -0.44 120.40 128.14 3khu s VAL 412 Ca 0.03 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 3khu s VAL 412 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3khu s VAL 412 CO -0.02 -0.07 0.63 -0.63 0.00 0.00 0.00 175.10 175.00 3khu s ILE 413 N 1.27 4.94 -0.15 2.22 1.01 0.28 -0.80 121.20 129.97 3khu s ILE 413 Ca -0.05 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.56 3khu s ILE 413 Cb -0.19 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 3khu s ILE 413 CO -0.01 -0.12 0.20 0.00 0.00 0.00 0.00 174.94 175.01 3khu s THR 415 N -2.02 0.52 -0.10 0.00 2.01 -1.22 -4.75 115.64 110.08 3khu s THR 415 Ca -0.00 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 3khu s THR 415 Cb 0.04 -0.47 0.08 0.00 0.01 0.00 0.00 72.50 72.16 3khu s THR 415 CO 0.26 0.17 1.86 -1.84 -0.69 0.00 0.00 174.62 174.38 3khu n GLU 416 N 3.25 1.27 -1.68 4.92 0.00 -1.26 -4.70 120.64 122.43 3khu n GLU 416 Ca -0.17 -0.53 -0.45 0.00 0.00 0.00 0.00 57.16 56.01 3khu n GLU 416 Cb 0.56 -1.21 -0.04 0.00 0.00 0.00 0.00 31.44 30.75 3khu n GLU 416 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3khu n TRP 417 N 0.95 2.42 -0.13 -1.84 7.02 -1.26 -4.80 117.44 119.80 3khu n TRP 417 Ca 0.10 0.15 0.21 0.00 -1.02 0.00 0.00 57.50 56.94 3khu n TRP 417 Cb 0.55 -2.60 0.61 0.00 -2.42 0.00 0.00 31.31 27.45 3khu n TRP 417 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3khu h ASP 418 N 6.63 0.19 0.24 -0.99 3.32 -2.02 -2.17 116.42 121.62 3khu h ASP 418 Ca -0.45 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3khu h ASP 418 Cb 1.24 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3khu h ASP 418 CO 0.91 0.09 -0.08 0.00 -1.72 0.00 0.00 179.24 178.44 3khu h MET 419 N 0.20 0.00 0.00 3.56 -0.00 -1.99 -2.82 114.93 113.88 3khu h MET 419 Ca 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 60.01 3khu h MET 419 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 3khu h MET 419 CO -0.07 0.08 -0.27 0.74 -0.00 0.00 0.00 176.91 177.39 3khu h PHE 420 N 0.00 0.00 0.00 -0.10 0.04 -1.76 -1.71 116.94 113.40 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 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3khu h PHE 420 CO 0.00 0.27 0.00 1.57 -0.60 0.00 0.00 178.31 179.55 3khu h LYS 421 N 0.00 0.00 -0.02 1.51 2.10 -1.70 -3.24 116.57 115.23 3khu h LYS 421 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3khu h LYS 421 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3khu h LYS 421 CO 0.03 0.00 -0.17 0.39 -2.00 0.00 0.00 179.45 177.70 3khu n GLU 422 N -2.44 1.68 -1.53 0.07 1.02 -0.65 -4.98 120.64 113.81 3khu n GLU 422 Ca 0.04 -1.28 -0.34 0.00 -0.02 0.00 0.00 57.16 55.55 3khu n GLU 422 Cb 0.35 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.20 3.36 -1.02 -4.62 1.43 -1.18 -4.92 118.68 109.52 3khu s LEU 423 Ca 0.27 2.31 -0.22 0.00 -1.03 0.00 0.00 54.13 55.46 3khu s LEU 423 Cb 0.20 -4.58 0.07 0.00 0.03 0.00 0.00 46.19 41.90 3khu s LEU 423 CO 0.41 -2.11 1.41 -0.62 0.23 0.00 0.00 176.35 175.68 3khu s ASP 424 N -2.07 6.55 0.38 2.29 -1.08 -1.26 -4.84 116.67 116.64 3khu s ASP 424 Ca 0.74 -1.63 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 3khu s ASP 424 Cb -0.28 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.30 3khu s ASP 424 CO 0.44 -1.40 1.72 1.88 0.52 0.00 0.00 175.17 178.32 3khu h TYR 425 N 9.46 0.00 -0.38 -5.34 -1.99 -1.97 -2.29 116.97 114.46 3khu h TYR 425 Ca 0.21 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.91 3khu h TYR 425 Cb 1.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 3khu h TYR 425 CO 1.27 0.34 0.14 1.49 -0.00 0.00 0.00 178.16 181.39 3khu h GLU 426 N 0.00 0.58 -0.12 4.88 4.81 -1.99 0.35 114.58 123.09 3khu h GLU 426 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3khu h GLU 426 Cb 0.92 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3khu h GLU 426 CO 0.04 0.57 0.08 -0.09 -0.73 0.00 0.00 179.01 178.88 3khu h ARG 427 N 0.47 0.16 -0.47 1.92 2.43 -1.92 -2.70 114.38 114.27 3khu h ARG 427 Ca 0.13 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3khu h ARG 427 Cb 0.22 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3khu h ARG 427 CO -0.01 0.10 0.22 0.82 -1.51 0.00 0.00 179.97 179.59 3khu h ILE 428 N 0.16 0.93 -0.37 1.20 2.04 -1.16 -2.73 117.51 117.59 3khu h ILE 428 Ca 0.04 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3khu h ILE 428 Cb -0.02 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3khu h ILE 428 CO -0.01 0.08 0.01 -0.74 0.00 0.00 0.00 178.15 177.49 3khu h HIS 429 N 0.43 0.01 -0.90 1.37 2.76 -0.74 -2.44 115.15 115.64 3khu h HIS 429 Ca 0.21 0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.60 3khu h HIS 429 Cb 0.14 0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.04 3khu h HIS 429 CO -0.12 -0.05 0.44 0.87 -1.30 0.00 0.00 177.93 177.77 3khu h LYS 430 N 0.12 0.49 -0.51 5.26 1.57 -1.16 -1.85 116.57 120.48 3khu h LYS 430 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3khu h LYS 430 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3khu h LYS 430 CO -0.29 0.32 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 3khu n LYS 431 N -4.96 2.58 -3.19 3.15 4.01 -0.95 -4.93 118.16 113.86 3khu n LYS 431 Ca 0.21 -2.42 -0.32 0.00 -0.51 0.00 0.00 58.31 55.27 3khu n LYS 431 Cb 0.59 -1.53 -0.06 0.00 -0.51 0.00 0.00 35.03 33.53 3khu n LYS 431 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3khu s MET 432 N -1.30 3.95 0.63 1.97 -1.94 -0.70 -0.16 119.30 121.75 3khu s MET 432 Ca 0.42 0.57 -0.16 0.00 -1.71 0.00 0.00 55.69 54.81 3khu s MET 432 Cb 0.24 -2.48 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 3khu s MET 432 CO 0.32 0.19 1.12 -0.51 -0.01 0.00 0.00 175.02 176.12 3khu s LEU 433 N -2.97 3.48 -0.02 -0.03 1.43 -0.53 -4.90 118.68 115.13 3khu s LEU 433 Ca 0.53 2.05 0.06 0.00 -1.03 0.00 0.00 54.13 55.73 3khu s LEU 433 Cb -0.10 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.53 3khu s LEU 433 CO 0.19 -1.54 -0.19 -0.54 0.23 0.00 0.00 176.35 174.50 3khu s LYS 434 N -3.89 2.29 0.36 1.70 -0.14 -1.26 -3.21 119.74 115.58 3khu s LYS 434 Ca 0.68 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 54.20 3khu s LYS 434 Cb -0.21 -2.22 -0.09 0.00 -1.68 0.00 0.00 37.83 33.62 3khu s LYS 434 CO 0.38 0.59 1.18 -1.25 -0.76 0.00 0.00 175.35 175.49 3khu s PRO 435 N -0.81 4.26 -0.22 -1.68 0.04 -1.26 -5.15 135.00 130.18 3khu s PRO 435 Ca 0.11 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 3khu s PRO 435 Cb -0.10 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 3khu s PRO 435 CO 0.01 -0.16 0.13 0.00 0.04 0.00 0.00 177.00 177.01 3khu s ALA 436 N -1.30 3.59 0.03 8.56 0.00 -1.20 -4.87 121.76 126.57 3khu s ALA 436 Ca 0.52 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.74 3khu s ALA 436 Cb -0.33 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3khu s ALA 436 CO 0.42 -0.01 -0.14 -0.06 0.00 0.00 0.00 175.76 175.97 3khu s PHE 437 N 0.70 2.67 -0.13 0.00 0.40 -0.88 -1.16 117.98 119.57 3khu s PHE 437 Ca 0.07 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 3khu s PHE 437 Cb -0.12 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.91 3khu s PHE 437 CO 0.01 0.29 -0.22 0.42 0.70 0.00 0.00 175.22 176.43 3khu s ILE 438 N -0.96 2.05 -0.26 0.64 1.01 -0.16 -0.75 121.20 122.77 3khu s ILE 438 Ca 0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3khu s ILE 438 Cb -0.11 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3khu s ILE 438 CO 0.06 0.55 -0.02 -0.36 0.00 0.00 0.00 174.94 175.17 3khu s PHE 439 N 0.72 3.10 -0.49 3.97 0.08 0.42 -1.02 117.98 124.76 3khu s PHE 439 Ca -0.09 -1.42 -0.14 0.00 0.12 0.00 0.00 56.93 55.40 3khu s PHE 439 Cb -0.16 -2.11 0.10 0.00 -0.57 0.00 0.00 43.02 40.28 3khu s PHE 439 CO 0.00 -0.69 0.40 0.34 -0.10 0.00 0.00 175.22 175.17 3khu s ASP 440 N 1.37 6.02 0.00 1.36 2.15 -0.03 -0.56 116.67 126.98 3khu s ASP 440 Ca 0.01 -1.60 0.20 0.00 0.43 0.00 0.00 52.55 51.59 3khu s ASP 440 Cb -0.17 -2.14 0.85 0.00 -0.30 0.00 0.00 42.92 41.16 3khu s ASP 440 CO -0.03 -0.71 1.60 0.61 -0.17 0.00 0.00 175.17 176.47 3khu n GLY 441 N 5.13 -0.06 0.00 2.66 0.00 -0.01 -2.87 105.19 110.05 3khu n GLY 441 Ca -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.03 -0.19 -2.36 1.61 5.12 -1.26 -1.03 116.66 118.57 3khu n ARG 442 Ca 0.16 -0.31 -0.20 0.00 -1.93 0.00 0.00 57.85 55.57 3khu n ARG 442 Cb 0.26 -0.71 -0.01 0.00 -1.16 0.00 0.00 32.46 30.84 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 -0.03 -1.59 0.16 5.56 5.12 -1.26 -4.91 116.66 119.72 3khu n ARG 443 Ca 0.00 0.97 0.04 0.00 -1.93 0.00 0.00 57.85 56.93 3khu n ARG 443 Cb 0.18 -5.58 0.18 0.00 -1.16 0.00 0.00 32.46 26.09 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 0.00 0.91 -0.46 1.55 -1.51 -1.96 -3.22 116.25 111.56 3khu h VAL 444 Ca -0.47 -1.91 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 3khu h VAL 444 Cb 1.35 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 3khu h VAL 444 CO 0.56 0.45 0.00 0.18 -1.23 0.00 0.00 177.57 177.53 3khu n LEU 445 N -3.38 2.71 -4.56 4.19 4.77 -1.26 -4.78 117.00 114.69 3khu n LEU 445 Ca 0.01 -1.36 -0.45 0.00 -0.03 0.00 0.00 56.01 54.17 3khu n LEU 445 Cb 0.63 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3khu n LEU 445 CO 0.39 0.61 0.49 0.47 -1.33 0.00 0.00 177.39 178.02 3khu n ASP 446 N 0.81 0.92 0.00 -1.43 9.92 -1.22 -1.47 116.55 124.08 3khu n ASP 446 Ca 0.16 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 3khu n ASP 446 Cb 0.46 -1.23 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 1.38 2.63 1.07 0.44 0.00 -1.26 -4.84 105.19 104.61 3khu n GLY 447 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 3.29 -0.11 0.99 4.77 -0.54 -4.70 117.00 120.69 3khu n LEU 448 Ca 0.00 -1.40 -0.11 0.00 -0.03 0.00 0.00 56.01 54.47 3khu n LEU 448 Cb 0.00 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3khu n LEU 448 CO 0.00 0.68 0.78 0.45 -1.33 0.00 0.00 177.39 177.97 3khu h HIS 449 N 4.33 0.61 -0.47 -1.77 3.86 -1.89 -1.10 115.15 118.72 3khu h HIS 449 Ca 0.00 -0.10 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 3khu h HIS 449 Cb 0.96 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 3khu h HIS 449 CO 0.19 0.68 0.25 -0.91 0.86 0.00 0.00 177.93 179.00 3khu h ASN 450 N 0.36 0.38 -0.56 2.45 2.35 -1.96 -0.30 115.58 118.31 3khu h ASN 450 Ca 0.09 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3khu h ASN 450 Cb 0.44 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3khu h ASN 450 CO 0.02 0.27 0.31 -0.33 -1.65 0.00 0.00 177.43 176.04 3khu h GLU 451 N 0.50 0.58 -0.27 0.81 5.08 -1.81 -0.68 114.58 118.78 3khu h GLU 451 Ca 0.20 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3khu h GLU 451 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3khu h GLU 451 CO -0.12 0.38 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.79 3khu h LEU 452 N 0.59 0.69 -0.45 1.33 3.38 -0.79 -1.68 115.31 118.39 3khu h LEU 452 Ca 0.24 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3khu h LEU 452 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3khu h LEU 452 CO -0.14 1.02 0.11 1.56 0.09 0.00 0.00 178.44 181.07 3khu h GLN 453 N 0.53 0.73 -0.61 1.13 4.20 -0.77 -1.57 115.11 118.76 3khu h GLN 453 Ca 0.04 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.62 3khu h GLN 453 Cb 0.93 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 3khu h GLN 453 CO 0.08 0.72 0.35 1.15 -0.67 0.00 0.00 178.83 180.47 3khu h THR 454 N 0.60 1.02 -0.79 -0.54 2.02 -0.92 -0.16 112.91 114.15 3khu h THR 454 Ca 0.14 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.15 3khu h THR 454 Cb 0.33 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3khu h THR 454 CO 0.00 0.12 0.52 0.40 0.37 0.00 0.00 175.52 176.93 3khu h ILE 455 N 0.68 1.05 0.00 3.11 2.04 -1.21 -3.46 117.51 119.72 3khu h ILE 455 Ca 0.26 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3khu h ILE 455 Cb 0.09 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3khu h ILE 455 CO -0.13 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3khu n GLY 456 N -1.43 0.25 3.79 5.37 0.00 -0.07 -5.05 105.19 108.05 3khu n GLY 456 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.12 2.92 -0.47 1.61 0.40 -0.65 -4.67 117.98 116.00 3khu s PHE 457 Ca 0.00 1.56 -0.21 0.00 -0.60 0.00 0.00 56.93 57.68 3khu s PHE 457 Cb 0.00 -3.11 0.03 0.00 0.51 0.00 0.00 43.02 40.46 3khu s PHE 457 CO 0.00 -1.06 0.70 -0.65 0.70 0.00 0.00 175.22 174.91 3khu s GLN 458 N -3.40 3.27 -0.21 0.44 -0.21 -0.31 -4.27 119.66 114.98 3khu s GLN 458 Ca 0.68 -0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.57 3khu s GLN 458 Cb -0.18 -3.99 -0.03 0.00 1.00 0.00 0.00 33.01 29.81 3khu s GLN 458 CO 0.25 -1.13 0.05 -1.50 -2.12 0.00 0.00 175.29 170.84 3khu s ILE 459 N 3.00 4.47 0.04 1.08 1.10 -1.26 -0.99 121.20 128.64 3khu s ILE 459 Ca 0.23 -0.14 0.05 0.00 -0.51 0.00 0.00 60.65 60.29 3khu s ILE 459 Cb -0.15 -3.04 -0.02 0.00 0.15 0.00 0.00 42.46 39.41 3khu s ILE 459 CO 0.18 0.41 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.67 3khu s GLU 460 N 0.87 0.97 0.06 3.50 2.02 -0.19 -4.98 118.70 120.95 3khu s GLU 460 Ca 0.03 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 3khu s GLU 460 Cb -0.14 -0.99 -0.03 0.00 0.10 0.00 0.00 34.13 33.08 3khu s GLU 460 CO 0.02 0.25 0.05 -0.08 0.02 0.00 0.00 175.26 175.52 3khu s THR 461 N -0.83 0.18 0.42 3.63 -1.32 -1.26 -0.85 115.64 115.61 3khu s THR 461 Ca 0.02 -1.51 -0.25 0.00 -1.21 0.00 0.00 61.69 58.74 3khu s THR 461 Cb -0.08 -1.34 -0.08 0.00 -1.51 0.00 0.00 72.50 69.49 3khu s THR 461 CO 0.01 -0.83 1.30 0.27 -2.21 0.00 0.00 174.62 173.16 3khu s ILE 462 N -3.64 2.60 -0.28 5.08 -4.36 -1.14 -2.91 121.20 116.56 3khu s ILE 462 Ca 0.04 0.52 0.00 0.00 -0.26 0.00 0.00 60.65 60.95 3khu s ILE 462 Cb 0.05 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.46 3khu s ILE 462 CO -0.09 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.76 3khu n GLY 463 N 0.65 0.59 2.80 6.27 0.00 -1.23 -4.85 105.19 109.41 3khu n GLY 463 Ca 0.05 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.91 0.34 0.30 1.61 2.20 -1.15 -1.48 119.74 119.66 3khu s LYS 464 Ca 0.00 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.42 3khu s LYS 464 Cb 0.00 -0.59 -0.10 0.00 -1.51 0.00 0.00 37.83 35.63 3khu s LYS 464 CO 0.00 -0.18 1.33 0.21 -0.36 0.00 0.00 175.35 176.34 3khu s LYS 465 N 1.31 4.35 0.00 4.03 2.20 -1.26 -4.68 119.74 125.69 3khu s LYS 465 Ca -0.06 2.21 0.24 0.00 -0.36 0.00 0.00 55.97 58.00 3khu s LYS 465 Cb -0.13 -3.09 1.42 0.00 -1.51 0.00 0.00 37.83 34.52 3khu s LYS 465 CO -0.02 -0.23 1.79 0.28 -0.36 0.00 0.00 175.35 176.81