#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9j s HIS 0 N 0.00 3.14 -0.25 -0.14 2.46 -1.26 -5.00 115.29 114.23 1r9j s HIS 0 Ca 0.00 1.32 -0.06 0.00 0.47 0.00 0.00 55.06 56.78 1r9j s HIS 0 Cb 0.00 -3.65 -0.01 0.00 -0.13 0.00 0.00 32.58 28.78 1r9j s HIS 0 CO 0.00 -1.91 0.04 -1.64 -2.47 0.00 0.00 174.74 168.77 1r9j s MET 1 N -1.07 3.45 0.61 2.88 -1.94 -1.26 -4.54 119.30 117.42 1r9j s MET 1 Ca 0.52 -0.61 -0.19 0.00 -1.71 0.00 0.00 55.69 53.70 1r9j s MET 1 Cb -0.39 -3.26 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 1r9j s MET 1 CO 0.46 -0.25 1.29 0.00 -0.01 0.00 0.00 175.02 176.51 1r9j s ALA 2 N 1.55 2.54 0.68 3.03 0.00 -1.16 -4.98 121.76 123.42 1r9j s ALA 2 Ca 0.05 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 1r9j s ALA 2 Cb -0.15 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1r9j s ALA 2 CO 0.02 -1.42 1.08 -1.54 0.00 0.00 0.00 175.76 173.90 1r9j s SER 3 N -1.33 5.16 0.53 0.00 1.04 -1.26 -4.82 113.70 113.02 1r9j s SER 3 Ca 0.78 1.82 0.25 0.00 0.48 0.00 0.00 55.95 59.28 1r9j s SER 3 Cb -0.36 -2.53 1.39 0.00 0.10 0.00 0.00 66.02 64.62 1r9j s SER 3 CO 0.40 -1.60 2.01 -0.29 0.98 0.00 0.00 173.24 174.74 1r9j h ILE 4 N -0.37 0.75 -0.15 -1.02 6.09 -2.00 0.22 117.51 121.04 1r9j h ILE 4 Ca -0.45 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.83 1r9j h ILE 4 Cb 1.23 0.75 0.01 0.00 0.47 0.00 0.00 36.82 39.28 1r9j h ILE 4 CO 0.55 0.00 -0.75 -0.08 -3.07 0.00 0.00 178.15 174.80 1r9j h GLU 5 N 0.00 0.73 -0.72 2.19 4.81 -1.99 -1.76 114.58 117.84 1r9j h GLU 5 Ca 0.24 -0.58 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1r9j h GLU 5 Cb 0.95 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1r9j h GLU 5 CO -0.00 1.19 0.23 -0.22 -0.73 0.00 0.00 179.01 179.48 1r9j h LYS 6 N 0.50 1.11 -0.22 1.92 3.64 -1.34 -0.56 116.57 121.61 1r9j h LYS 6 Ca -0.04 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1r9j h LYS 6 Cb 1.36 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1r9j h LYS 6 CO 0.15 0.94 0.12 0.28 -2.27 0.00 0.00 179.45 178.68 1r9j h VAL 7 N 1.05 1.11 -0.48 2.00 2.07 -1.22 -0.37 116.25 120.42 1r9j h VAL 7 Ca 0.23 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1r9j h VAL 7 Cb 0.29 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1r9j h VAL 7 CO -0.01 0.11 0.31 0.00 0.02 0.00 0.00 177.57 178.00 1r9j h ALA 8 N 1.01 0.61 -0.19 1.67 0.00 -0.98 -0.78 119.26 120.61 1r9j h ALA 8 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1r9j h ALA 8 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r9j h ALA 8 CO -0.01 0.04 -0.26 -0.91 0.00 0.00 0.00 179.25 178.10 1r9j h ASN 9 N 0.63 0.35 -0.60 0.00 2.35 -0.96 -0.73 115.58 116.62 1r9j h ASN 9 Ca 0.18 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1r9j h ASN 9 Cb -0.06 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1r9j h ASN 9 CO -0.05 0.61 0.10 0.00 -1.65 0.00 0.00 177.43 176.45 1r9j h ILE 11 N 0.90 1.11 -0.37 0.00 2.04 -0.69 -1.05 117.51 119.45 1r9j h ILE 11 Ca 0.18 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1r9j h ILE 11 Cb 0.42 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1r9j h ILE 11 CO 0.01 0.08 -0.18 0.03 0.00 0.00 0.00 178.15 178.10 1r9j h ARG 12 N -0.13 -0.11 -0.49 2.37 3.08 -0.92 -0.77 114.38 117.41 1r9j h ARG 12 Ca 0.00 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1r9j h ARG 12 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1r9j h ARG 12 CO -0.00 -0.07 -0.08 0.00 -1.07 0.00 0.00 179.97 178.74 1r9j h LEU 14 N 0.81 0.75 -0.52 0.00 5.85 -0.72 -0.29 115.31 121.17 1r9j h LEU 14 Ca 0.14 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1r9j h LEU 14 Cb 0.60 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1r9j h LEU 14 CO 0.04 0.77 0.28 0.00 -0.34 0.00 0.00 178.44 179.19 1r9j h ALA 15 N 1.00 0.67 -0.53 1.25 0.00 -0.95 -0.02 119.26 120.69 1r9j h ALA 15 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r9j h ALA 15 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1r9j h ALA 15 CO -0.00 -0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.51 1r9j h ALA 16 N 1.27 0.68 -0.53 0.00 0.00 -0.91 -2.05 119.26 117.72 1r9j h ALA 16 Ca 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1r9j h ALA 16 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1r9j h ALA 16 CO -0.14 0.17 0.05 -0.44 0.00 0.00 0.00 179.25 178.89 1r9j h ASP 17 N 0.71 0.82 0.40 0.00 3.32 -0.54 -0.85 116.42 120.29 1r9j h ASP 17 Ca 0.19 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1r9j h ASP 17 Cb -0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1r9j h ASP 17 CO -0.03 0.86 -0.19 0.40 -1.72 0.00 0.00 179.24 178.55 1r9j h ILE 18 N 0.81 0.60 -0.77 0.35 2.04 -0.64 0.15 117.51 120.06 1r9j h ILE 18 Ca 0.16 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1r9j h ILE 18 Cb 0.41 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1r9j h ILE 18 CO 0.01 0.00 0.51 0.58 0.00 0.00 0.00 178.15 179.25 1r9j h VAL 19 N -0.54 1.20 -0.49 1.67 2.07 -1.29 -2.40 116.25 116.47 1r9j h VAL 19 Ca -0.06 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1r9j h VAL 19 Cb 0.42 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1r9j h VAL 19 CO 0.09 0.20 0.25 -0.61 0.02 0.00 0.00 177.57 177.51 1r9j h GLN 20 N 1.05 0.70 0.00 1.57 5.75 -0.92 -2.07 115.11 121.19 1r9j h GLN 20 Ca 0.28 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1r9j h GLN 20 Cb -0.11 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.31 1r9j h GLN 20 CO -0.06 0.58 -0.07 0.78 -2.65 0.00 0.00 178.83 177.41 1r9j h GLY 21 N 0.65 0.00 0.62 2.39 0.00 -0.34 -1.44 103.07 104.95 1r9j h GLY 21 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1r9j h GLY 21 CO -0.02 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.74 1r9j n GLY 22 N -0.99 -0.94 2.33 4.60 0.00 -0.84 -4.90 105.19 104.46 1r9j n GLY 22 Ca -0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 1r9j n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r9j n LYS 23 N -1.08 -1.75 -3.61 1.61 5.02 -0.54 -4.87 118.16 112.94 1r9j n LYS 23 Ca 0.09 0.82 -0.07 0.00 -2.02 0.00 0.00 58.31 57.12 1r9j n LYS 23 Cb 0.34 -5.31 -0.05 0.00 -0.02 0.00 0.00 35.03 29.99 1r9j n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r9j s SER 24 N -2.15 -0.27 0.00 4.39 0.15 -1.19 -4.87 113.70 109.77 1r9j s SER 24 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1r9j s SER 24 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1r9j s SER 24 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1r9j n GLY 25 N 0.94 0.93 3.07 9.45 0.00 -1.26 -4.73 105.19 113.58 1r9j n GLY 25 Ca -0.08 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1r9j n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r9j s HIS 26 N -1.11 3.53 0.05 1.61 3.76 -1.26 -1.51 115.29 120.36 1r9j s HIS 26 Ca 0.00 -2.59 0.09 0.00 -0.15 0.00 0.00 55.06 52.42 1r9j s HIS 26 Cb 0.00 -2.54 -0.22 0.00 1.11 0.00 0.00 32.58 30.93 1r9j s HIS 26 CO 0.00 -0.91 1.01 -1.00 -0.85 0.00 0.00 174.74 172.99 1r9j h PRO 27 N 7.76 0.00 0.00 8.40 0.13 -1.69 -3.41 132.00 143.19 1r9j h PRO 27 Ca -0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1r9j h PRO 27 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1r9j h PRO 27 CO 0.52 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 179.48 1r9j n GLY 28 N 1.44 -3.26 0.28 1.56 0.00 0.94 -2.13 105.19 104.01 1r9j n GLY 28 Ca -0.07 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.47 1r9j n GLY 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1r9j h THR 29 N 0.00 0.83 -0.97 2.61 2.02 -1.82 -1.49 112.91 114.08 1r9j h THR 29 Ca 0.00 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.08 1r9j h THR 29 Cb 0.00 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.48 1r9j h THR 29 CO 0.00 0.11 0.60 -0.65 0.37 0.00 0.00 175.52 175.96 1r9j h PRO 30 N 0.62 0.94 -0.15 6.66 0.11 -1.77 -0.29 132.00 138.12 1r9j h PRO 30 Ca 0.38 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.28 1r9j h PRO 30 Cb 0.42 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1r9j h PRO 30 CO -0.29 0.62 -0.55 0.52 -0.21 0.00 0.00 178.00 178.10 1r9j h MET 31 N 0.97 0.45 -0.06 1.05 2.86 -0.82 -3.03 114.93 116.34 1r9j h MET 31 Ca 0.48 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1r9j h MET 31 Cb 0.45 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1r9j h MET 31 CO -0.26 0.88 -0.59 0.78 1.06 0.00 0.00 176.91 178.78 1r9j h GLY 32 N 1.18 0.23 -1.90 8.32 0.00 -0.45 -3.15 103.07 107.31 1r9j h GLY 32 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1r9j h GLY 32 CO 0.10 0.25 0.00 1.03 0.00 0.00 0.00 176.54 177.92 1r9j n MET 33 N -3.88 2.22 -0.10 4.80 2.81 -0.24 -4.48 117.12 118.26 1r9j n MET 33 Ca -0.02 -1.89 -0.09 0.00 -1.81 0.00 0.00 57.70 53.90 1r9j n MET 33 Cb 0.60 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 31.68 1r9j n MET 33 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r9j h ALA 34 N 4.04 0.41 -0.10 3.04 0.00 -1.48 -1.92 119.26 123.25 1r9j h ALA 34 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1r9j h ALA 34 Cb 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1r9j h ALA 34 CO 0.00 -0.13 -0.05 -1.35 0.00 0.00 0.00 179.25 177.72 1r9j h PRO 35 N 0.43 -0.04 -0.86 0.00 0.11 -1.83 0.33 132.00 130.14 1r9j h PRO 35 Ca 0.12 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1r9j h PRO 35 Cb -0.04 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1r9j h PRO 35 CO -0.03 -0.03 0.57 1.98 -0.21 0.00 0.00 178.00 180.28 1r9j h MET 36 N -0.04 1.14 -0.85 1.05 1.85 -1.80 -2.39 114.93 113.88 1r9j h MET 36 Ca 0.06 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1r9j h MET 36 Cb 0.13 -0.26 -0.04 0.00 0.43 0.00 0.00 31.60 31.87 1r9j h MET 36 CO -0.13 0.75 0.43 0.77 -0.40 0.00 0.00 176.91 178.33 1r9j h SER 37 N 1.17 1.10 -0.06 1.39 0.02 -0.84 0.25 113.55 116.58 1r9j h SER 37 Ca 0.32 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1r9j h SER 37 Cb -0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.12 1r9j h SER 37 CO -0.07 0.91 0.01 0.00 -1.14 0.00 0.00 176.83 176.54 1r9j h ALA 38 N 1.23 0.06 0.05 3.77 0.00 -0.45 0.19 119.26 124.11 1r9j h ALA 38 Ca 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1r9j h ALA 38 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r9j h ALA 38 CO -0.04 -0.46 -0.03 0.28 0.00 0.00 0.00 179.25 179.00 1r9j h VAL 39 N 0.04 1.11 -0.18 0.00 2.07 -1.25 -1.78 116.25 116.26 1r9j h VAL 39 Ca 0.03 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1r9j h VAL 39 Cb 0.02 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1r9j h VAL 39 CO -0.03 0.14 0.00 0.25 0.02 0.00 0.00 177.57 177.95 1r9j h LEU 40 N -0.31 -0.07 0.00 2.57 5.85 -0.81 -0.34 115.31 122.20 1r9j h LEU 40 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1r9j h LEU 40 Cb 0.28 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1r9j h LEU 40 CO 0.01 -0.01 -0.23 -0.50 -0.34 0.00 0.00 178.44 177.38 1r9j h TRP 41 N 0.06 0.00 -0.01 1.25 4.06 -0.66 0.13 115.95 120.78 1r9j h TRP 41 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1r9j h TRP 41 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1r9j h TRP 41 CO -0.17 0.17 -0.18 0.25 -3.56 0.00 0.00 178.44 174.95 1r9j n THR 42 N -3.12 0.00 0.00 1.49 -2.24 -0.67 -4.81 114.28 104.94 1r9j n THR 42 Ca 0.03 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1r9j n THR 42 Cb 0.60 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1r9j n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r9j n GLU 43 N 0.09 3.01 -0.01 -0.78 1.02 -0.15 -4.68 120.64 119.14 1r9j n GLU 43 Ca 0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1r9j n GLU 43 Cb 0.28 -0.52 -0.01 0.00 -0.02 0.00 0.00 31.44 31.17 1r9j n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1r9j n VAL 44 N -0.32 0.40 -1.99 2.62 0.31 -1.06 -5.02 118.33 113.27 1r9j n VAL 44 Ca 0.00 0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 1r9j n VAL 44 Cb 0.01 -1.58 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 1r9j n VAL 44 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r9j s MET 45 N -2.08 4.26 -0.43 5.55 0.00 0.44 -4.98 119.30 122.06 1r9j s MET 45 Ca -0.05 2.33 -0.19 0.00 0.00 0.00 0.00 55.69 57.79 1r9j s MET 45 Cb 0.02 -3.08 0.02 0.00 0.00 0.00 0.00 34.83 31.79 1r9j s MET 45 CO 0.07 -0.41 0.52 0.21 0.00 0.00 0.00 175.02 175.41 1r9j s LYS 46 N -0.78 3.18 0.11 4.11 2.20 -1.26 -4.93 119.74 122.37 1r9j s LYS 46 Ca 0.57 -0.60 -0.25 0.00 -0.36 0.00 0.00 55.97 55.34 1r9j s LYS 46 Cb -0.42 -3.96 0.08 0.00 -1.51 0.00 0.00 37.83 32.02 1r9j s LYS 46 CO 0.47 -0.91 0.68 1.52 -0.36 0.00 0.00 175.35 176.75 1r9j s TYR 47 N 2.40 -0.49 -0.26 4.03 -0.85 -1.26 -0.55 117.35 120.37 1r9j s TYR 47 Ca 0.16 0.31 0.02 0.00 -0.52 0.00 0.00 57.07 57.04 1r9j s TYR 47 Cb -0.16 0.55 0.07 0.00 0.38 0.00 0.00 41.96 42.80 1r9j s TYR 47 CO 0.16 -0.76 -0.06 1.21 -1.52 0.00 0.00 175.55 174.57 1r9j s ASN 48 N -2.65 4.24 0.34 -0.18 3.84 -1.26 -4.68 114.94 114.60 1r9j s ASN 48 Ca 0.02 -1.41 0.24 0.00 0.21 0.00 0.00 52.86 51.93 1r9j s ASN 48 Cb -0.01 -1.40 1.22 0.00 -0.55 0.00 0.00 41.25 40.52 1r9j s ASN 48 CO -0.12 -0.24 1.75 0.77 -2.79 0.00 0.00 177.10 176.47 1r9j h SER 49 N 7.83 0.00 0.20 -4.21 4.64 -1.90 -0.44 113.55 119.67 1r9j h SER 49 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1r9j h SER 49 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1r9j h SER 49 CO 0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 176.03 1r9j n GLN 50 N -2.35 0.78 -3.14 4.77 1.13 -1.26 -4.13 117.38 113.17 1r9j n GLN 50 Ca -0.00 -0.52 -0.16 0.00 -1.94 0.00 0.00 57.00 54.38 1r9j n GLN 50 Cb 0.11 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 1r9j n GLN 50 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1r9j s ASP 51 N -2.58 0.20 0.34 1.08 2.15 -0.18 -4.98 116.67 112.70 1r9j s ASP 51 Ca 0.21 -2.24 0.24 0.00 0.43 0.00 0.00 52.55 51.19 1r9j s ASP 51 Cb 0.19 0.69 1.23 0.00 -0.30 0.00 0.00 42.92 44.73 1r9j s ASP 51 CO 0.57 -0.14 1.74 -0.65 -0.17 0.00 0.00 175.17 176.52 1r9j h PRO 52 N 5.69 0.00 -0.25 4.34 0.11 -1.80 -2.50 132.00 137.59 1r9j h PRO 52 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1r9j h PRO 52 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1r9j h PRO 52 CO 0.20 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.74 1r9j n ASP 53 N -2.34 2.75 -4.59 -2.05 8.00 -1.26 -4.91 116.55 112.14 1r9j n ASP 53 Ca -0.01 -1.88 -0.47 0.00 0.71 0.00 0.00 54.79 53.14 1r9j n ASP 53 Cb 0.09 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1r9j n ASP 53 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1r9j n TRP 54 N 1.05 2.02 0.33 1.24 -0.00 -0.94 -4.82 117.44 116.31 1r9j n TRP 54 Ca 0.18 0.03 0.22 0.00 -0.00 0.00 0.00 57.50 57.92 1r9j n TRP 54 Cb 0.51 -2.65 1.16 0.00 -0.00 0.00 0.00 31.31 30.32 1r9j n TRP 54 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1r9j h VAL 55 N 6.43 0.00 -0.44 5.87 -1.51 -1.92 -2.54 116.25 122.15 1r9j h VAL 55 Ca -0.40 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1r9j h VAL 55 Cb 1.28 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1r9j h VAL 55 CO 0.97 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 176.64 1r9j n ASP 56 N -3.04 4.48 -4.78 4.19 2.03 -1.26 -5.00 116.55 113.17 1r9j n ASP 56 Ca -0.03 -2.77 -0.34 0.00 0.52 0.00 0.00 54.79 52.18 1r9j n ASP 56 Cb 0.09 -0.56 0.02 0.00 -0.72 0.00 0.00 41.12 39.95 1r9j n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r9j s ARG 57 N -2.41 3.17 0.49 -0.67 1.70 -0.96 -4.60 118.95 115.67 1r9j s ARG 57 Ca 0.45 1.44 -0.22 0.00 -0.47 0.00 0.00 55.73 56.94 1r9j s ARG 57 Cb 0.34 -2.00 -0.07 0.00 -0.57 0.00 0.00 34.95 32.65 1r9j s ARG 57 CO 0.15 -0.96 1.13 -0.51 -1.08 0.00 0.00 175.30 174.03 1r9j s ASP 58 N -2.27 6.08 -0.09 -2.89 1.01 0.28 -4.77 116.67 114.02 1r9j s ASP 58 Ca 0.69 2.20 -0.09 0.00 0.71 0.00 0.00 52.55 56.05 1r9j s ASP 58 Cb -0.21 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1r9j s ASP 58 CO 0.34 -0.97 0.21 -0.13 0.21 0.00 0.00 175.17 174.83 1r9j s ARG 59 N -2.94 3.62 -0.05 8.23 3.00 -0.21 -4.87 118.95 125.74 1r9j s ARG 59 Ca 0.67 0.01 0.04 0.00 0.00 0.00 0.00 55.73 56.45 1r9j s ARG 59 Cb -0.25 -3.22 -0.00 0.00 0.00 0.00 0.00 34.95 31.48 1r9j s ARG 59 CO 0.30 0.72 -0.18 0.12 0.00 0.00 0.00 175.30 176.26 1r9j s PHE 60 N -0.93 1.81 -0.02 -0.53 5.36 -1.26 -0.34 117.98 122.08 1r9j s PHE 60 Ca 0.17 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1r9j s PHE 60 Cb -0.13 -1.22 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1r9j s PHE 60 CO 0.06 -0.19 0.02 0.08 -1.46 0.00 0.00 175.22 173.73 1r9j s VAL 61 N 0.06 -0.02 -0.57 3.12 1.01 0.20 -4.51 120.40 119.69 1r9j s VAL 61 Ca -0.05 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1r9j s VAL 61 Cb -0.12 -0.08 0.15 0.00 0.00 0.00 0.00 36.38 36.32 1r9j s VAL 61 CO 0.03 0.07 0.48 -0.32 0.00 0.00 0.00 175.10 175.36 1r9j s MET 62 N 0.79 2.83 0.27 2.72 1.75 -1.26 -0.91 119.30 125.50 1r9j s MET 62 Ca -0.07 -1.96 -0.00 0.00 -1.25 0.00 0.00 55.69 52.41 1r9j s MET 62 Cb -0.10 -4.10 0.38 0.00 2.84 0.00 0.00 34.83 33.85 1r9j s MET 62 CO -0.02 -1.25 1.75 1.03 -0.65 0.00 0.00 175.02 175.88 1r9j h SER 63 N 8.29 0.64 -0.60 1.11 0.87 -1.28 -3.11 113.55 119.48 1r9j h SER 63 Ca -0.15 -0.18 -0.72 0.00 -1.23 0.00 0.00 61.79 59.51 1r9j h SER 63 Cb 1.06 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.78 1r9j h SER 63 CO 0.87 0.78 2.85 -0.46 -0.53 0.00 0.00 176.83 180.34 1r9j n ASN 64 N -4.19 5.97 0.05 6.23 2.04 -1.23 -4.47 115.26 119.66 1r9j n ASN 64 Ca 0.01 -2.91 0.21 0.00 -0.44 0.00 0.00 54.58 51.45 1r9j n ASN 64 Cb 0.34 -1.53 0.64 0.00 -2.53 0.00 0.00 39.78 36.69 1r9j n ASN 64 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1r9j h GLY 65 N 7.99 0.00 2.00 4.83 0.00 -1.83 -1.22 103.07 114.84 1r9j h GLY 65 Ca 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 1r9j h GLY 65 CO 1.72 0.00 -0.02 1.12 0.00 0.00 0.00 176.54 179.37 1r9j h HIS 66 N 0.00 0.00 -0.49 5.60 2.07 -1.86 -0.96 115.15 119.51 1r9j h HIS 66 Ca 0.25 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.64 1r9j h HIS 66 Cb 1.58 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.48 1r9j h HIS 66 CO 0.00 0.02 0.15 0.41 -3.07 0.00 0.00 177.93 175.44 1r9j n GLY 67 N -0.77 2.92 0.21 6.13 0.00 -0.46 -4.18 105.19 109.04 1r9j n GLY 67 Ca -0.02 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1r9j n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j h ALA 69 N 1.85 1.78 -0.19 0.00 0.00 -1.86 0.29 119.26 121.14 1r9j h ALA 69 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r9j h ALA 69 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r9j h ALA 69 CO 0.00 0.11 0.08 1.25 0.00 0.00 0.00 179.25 180.69 1r9j h LEU 70 N 0.64 0.26 -0.78 0.00 5.85 -1.43 -1.58 115.31 118.27 1r9j h LEU 70 Ca 0.28 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1r9j h LEU 70 Cb 0.28 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1r9j h LEU 70 CO -0.09 0.34 0.16 -0.61 -0.34 0.00 0.00 178.44 177.90 1r9j h GLN 71 N 0.16 1.08 -0.70 1.25 4.15 -1.27 -1.56 115.11 118.23 1r9j h GLN 71 Ca 0.06 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 1r9j h GLN 71 Cb 0.16 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1r9j h GLN 71 CO -0.01 0.96 0.31 1.88 -1.93 0.00 0.00 178.83 180.05 1r9j h TYR 72 N 1.03 1.03 -0.36 3.99 0.05 -0.86 0.39 116.97 122.24 1r9j h TYR 72 Ca 0.22 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1r9j h TYR 72 Cb 0.36 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1r9j h TYR 72 CO 0.03 0.78 0.22 0.00 -1.05 0.00 0.00 178.16 178.13 1r9j h ALA 73 N 1.15 0.45 -0.55 3.88 0.00 -1.00 -1.64 119.26 121.56 1r9j h ALA 73 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1r9j h ALA 73 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1r9j h ALA 73 CO -0.03 -0.06 0.12 -0.07 0.00 0.00 0.00 179.25 179.21 1r9j h LEU 74 N 0.47 0.85 -0.92 0.00 3.38 -0.95 -1.07 115.31 117.07 1r9j h LEU 74 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1r9j h LEU 74 Cb -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1r9j h LEU 74 CO -0.02 0.87 0.52 -0.07 0.09 0.00 0.00 178.44 179.82 1r9j h LEU 75 N 0.78 1.14 0.16 1.67 3.38 -0.74 -1.03 115.31 120.67 1r9j h LEU 75 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1r9j h LEU 75 Cb 0.37 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r9j h LEU 75 CO 0.01 0.90 -0.08 -0.74 0.09 0.00 0.00 178.44 178.62 1r9j h HIS 76 N 1.28 -0.20 -0.52 1.13 2.76 -1.08 -0.87 115.15 117.65 1r9j h HIS 76 Ca 0.32 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.54 1r9j h HIS 76 Cb 0.00 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1r9j h HIS 76 CO 0.01 0.18 0.35 0.52 -1.30 0.00 0.00 177.93 177.69 1r9j h MET 77 N -0.63 0.50 0.00 5.26 2.86 -1.09 -1.47 114.93 120.35 1r9j h MET 77 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1r9j h MET 77 Cb 0.47 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1r9j h MET 77 CO 0.04 0.33 0.00 0.00 1.06 0.00 0.00 176.91 178.33 1r9j n ALA 78 N -2.49 2.13 -0.02 6.32 0.00 -0.40 -4.83 120.51 121.23 1r9j n ALA 78 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1r9j n ALA 78 Cb 0.21 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1r9j n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9j n GLY 79 N 1.03 0.99 3.68 0.00 0.00 -0.55 -4.64 105.19 105.70 1r9j n GLY 79 Ca 0.06 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1r9j n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r9j s TYR 80 N -2.00 2.11 -0.78 1.61 1.51 -0.34 -4.61 117.35 114.84 1r9j s TYR 80 Ca 0.00 0.96 -0.07 0.00 -1.01 0.00 0.00 57.07 56.95 1r9j s TYR 80 Cb 0.00 -3.28 -0.13 0.00 -0.11 0.00 0.00 41.96 38.44 1r9j s TYR 80 CO 0.00 -2.91 2.75 -1.71 -1.11 0.00 0.00 175.55 172.57 1r9j n ASN 81 N -4.18 5.90 -3.73 2.29 2.85 -1.26 -4.66 115.26 112.47 1r9j n ASN 81 Ca 0.05 -2.39 -0.29 0.00 -0.11 0.00 0.00 54.58 51.85 1r9j n ASN 81 Cb 0.58 -1.26 -0.16 0.00 1.24 0.00 0.00 39.78 40.17 1r9j n ASN 81 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1r9j s LEU 82 N 0.08 1.59 0.84 1.20 2.96 -1.26 -4.79 118.68 119.30 1r9j s LEU 82 Ca 0.55 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 1r9j s LEU 82 Cb 0.19 -0.70 0.13 0.00 0.50 0.00 0.00 46.19 46.30 1r9j s LEU 82 CO -0.03 -0.35 1.18 0.42 -1.32 0.00 0.00 176.35 176.25 1r9j s THR 83 N 1.77 2.07 0.41 3.68 -4.23 -1.26 -4.42 115.64 113.65 1r9j s THR 83 Ca 0.04 -0.11 0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1r9j s THR 83 Cb -0.17 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.85 1r9j s THR 83 CO -0.17 0.00 1.91 -0.03 -0.54 0.00 0.00 174.62 175.80 1r9j h MET 84 N -1.14 0.02 -0.46 3.99 4.05 -1.99 -1.23 114.93 118.18 1r9j h MET 84 Ca -0.44 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 58.88 1r9j h MET 84 Cb 1.29 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1r9j h MET 84 CO 0.52 0.28 -0.09 -0.44 0.23 0.00 0.00 176.91 177.40 1r9j h ASP 85 N 0.02 0.80 -0.56 1.39 3.32 -1.98 -0.40 116.42 119.00 1r9j h ASP 85 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1r9j h ASP 85 Cb 0.47 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1r9j h ASP 85 CO 0.03 0.92 0.24 0.44 -1.72 0.00 0.00 179.24 179.16 1r9j h ASP 86 N 0.74 0.76 -0.82 6.45 3.32 -1.60 -2.28 116.42 122.99 1r9j h ASP 86 Ca 0.13 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1r9j h ASP 86 Cb 0.58 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1r9j h ASP 86 CO 0.04 0.71 0.37 -0.07 -1.72 0.00 0.00 179.24 178.56 1r9j h LEU 87 N 0.77 1.10 -0.21 1.55 3.38 -0.92 -1.08 115.31 119.90 1r9j h LEU 87 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1r9j h LEU 87 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1r9j h LEU 87 CO -0.02 0.95 0.00 0.29 0.09 0.00 0.00 178.44 179.75 1r9j n LYS 88 N -4.30 0.05 -0.81 1.13 5.02 -0.20 -2.22 118.16 116.83 1r9j n LYS 88 Ca 0.08 0.32 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 1r9j n LYS 88 Cb 0.16 -1.61 0.39 0.00 -0.02 0.00 0.00 35.03 33.95 1r9j n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r9j n GLY 89 N -0.12 2.97 3.64 0.72 0.00 -0.41 -4.80 105.19 107.18 1r9j n GLY 89 Ca 0.03 -0.91 -0.48 0.00 0.00 0.00 0.00 46.02 44.66 1r9j n GLY 89 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1r9j n PHE 90 N 0.73 1.95 -2.19 1.61 7.35 -0.94 -1.81 117.46 124.16 1r9j n PHE 90 Ca 0.27 0.44 -0.14 0.00 -0.76 0.00 0.00 57.45 57.25 1r9j n PHE 90 Cb 1.11 -2.45 -0.02 0.00 0.35 0.00 0.00 39.48 38.47 1r9j n PHE 90 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1r9j n ARG 91 N 2.82 -1.90 -4.34 -4.13 1.74 -0.44 -4.37 116.66 106.03 1r9j n ARG 91 Ca 0.16 0.74 -0.27 0.00 -0.77 0.00 0.00 57.85 57.72 1r9j n ARG 91 Cb 0.26 -5.27 -0.10 0.00 -1.02 0.00 0.00 32.46 26.32 1r9j n ARG 91 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1r9j s GLN 92 N -4.60 1.88 -0.23 5.56 -0.21 -0.75 -4.93 119.66 116.39 1r9j s GLN 92 Ca 0.00 -1.36 -0.40 0.00 0.02 0.00 0.00 55.36 53.62 1r9j s GLN 92 Cb 0.00 -2.05 -0.16 0.00 1.00 0.00 0.00 33.01 31.80 1r9j s GLN 92 CO 0.00 0.42 1.66 -3.47 -2.12 0.00 0.00 175.29 171.78 1r9j n ASP 93 N 0.09 2.18 0.00 5.90 2.03 -1.26 -2.21 116.55 123.27 1r9j n ASP 93 Ca -0.11 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1r9j n ASP 93 Cb 0.56 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 1r9j n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r9j n GLY 94 N 3.87 0.48 3.83 0.27 0.00 -1.26 -5.02 105.19 107.35 1r9j n GLY 94 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1r9j n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r9j s SER 95 N -2.30 4.47 -0.02 1.61 1.04 -0.94 -4.94 113.70 112.62 1r9j s SER 95 Ca 0.00 1.14 0.11 0.00 0.48 0.00 0.00 55.95 57.68 1r9j s SER 95 Cb 0.00 -1.83 0.35 0.00 0.10 0.00 0.00 66.02 64.64 1r9j s SER 95 CO 0.00 -1.97 1.26 0.54 0.98 0.00 0.00 173.24 174.05 1r9j n ARG 96 N -3.41 2.10 -3.21 4.02 1.74 -1.26 -4.38 116.66 112.26 1r9j n ARG 96 Ca 0.07 -1.42 -0.24 0.00 -0.77 0.00 0.00 57.85 55.49 1r9j n ARG 96 Cb 0.58 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.55 1r9j n ARG 96 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1r9j n THR 97 N 0.57 0.85 -1.00 0.55 -2.24 -1.26 -4.43 114.28 107.33 1r9j n THR 97 Ca 0.13 -4.72 -0.29 0.00 -2.27 0.00 0.00 64.05 56.90 1r9j n THR 97 Cb 0.40 -1.51 0.18 0.00 -2.10 0.00 0.00 70.33 67.30 1r9j n THR 97 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1r9j s PRO 98 N -2.19 0.38 0.46 -0.78 0.04 -1.26 -1.33 135.00 130.32 1r9j s PRO 98 Ca 0.40 0.76 0.27 0.00 0.04 0.00 0.00 61.00 62.46 1r9j s PRO 98 Cb 0.22 -1.71 1.31 0.00 0.04 0.00 0.00 34.50 34.36 1r9j s PRO 98 CO -0.08 -2.83 1.79 0.78 0.04 0.00 0.00 177.00 176.69 1r9j h GLY 99 N -1.97 0.68 -4.61 0.56 0.00 -1.95 -3.42 103.07 92.36 1r9j h GLY 99 Ca -0.54 -0.11 -0.30 0.00 0.00 0.00 0.00 47.33 46.38 1r9j h GLY 99 CO 0.54 -0.09 -0.74 0.30 0.00 0.00 0.00 176.54 176.55 1r9j s HIS 100 N -5.24 0.78 0.05 5.60 3.76 -1.26 -4.74 115.29 114.23 1r9j s HIS 100 Ca -0.07 -0.52 -0.34 0.00 -0.15 0.00 0.00 55.06 53.98 1r9j s HIS 100 Cb 0.24 -0.46 -0.13 0.00 1.11 0.00 0.00 32.58 33.34 1r9j s HIS 100 CO 0.80 -0.06 1.68 -2.30 -0.85 0.00 0.00 174.74 174.00 1r9j n PRO 101 N 1.34 2.04 -4.39 8.40 -0.02 -1.26 -4.91 135.00 136.21 1r9j n PRO 101 Ca -0.22 0.74 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 1r9j n PRO 101 Cb 0.55 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 1r9j n PRO 101 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1r9j s GLU 102 N 2.13 2.62 0.31 -0.52 2.02 -1.26 -2.10 118.70 121.89 1r9j s GLU 102 Ca 0.85 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.85 1r9j s GLU 102 Cb -0.72 -2.22 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 1r9j s GLU 102 CO 0.45 -0.11 1.39 -2.13 0.02 0.00 0.00 175.26 174.88 1r9j n ARG 103 N 4.34 2.26 0.00 1.61 0.63 -1.26 -2.30 116.66 121.94 1r9j n ARG 103 Ca -0.19 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1r9j n ARG 103 Cb 0.51 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.97 1r9j n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1r9j n PHE 104 N 1.04 0.00 0.04 -0.14 0.99 -1.26 -4.72 117.46 113.41 1r9j n PHE 104 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.43 1r9j n PHE 104 Cb 0.35 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 38.89 1r9j n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1r9j h VAL 105 N 0.00 1.35 -3.66 -4.37 2.07 -1.84 -3.44 116.25 106.37 1r9j h VAL 105 Ca 0.00 -1.97 -0.59 0.00 0.82 0.00 0.00 66.70 64.96 1r9j h VAL 105 Cb 0.00 1.96 -0.32 0.00 -1.52 0.00 0.00 31.29 31.40 1r9j h VAL 105 CO 0.00 0.60 -0.85 -0.89 0.02 0.00 0.00 177.57 176.45 1r9j s THR 106 N -3.79 1.56 0.33 2.57 2.01 -1.20 -4.74 115.64 112.38 1r9j s THR 106 Ca -0.06 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1r9j s THR 106 Cb 0.11 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 71.16 1r9j s THR 106 CO 0.83 0.45 1.36 -2.84 -0.69 0.00 0.00 174.62 173.73 1r9j s PRO 107 N 0.25 4.30 0.00 4.92 0.02 -1.26 -2.63 135.00 140.59 1r9j s PRO 107 Ca -0.10 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1r9j s PRO 107 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1r9j s PRO 107 CO 0.04 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 1r9j n GLY 108 N 0.97 1.41 3.56 0.52 0.00 -1.26 -4.92 105.19 105.47 1r9j n GLY 108 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1r9j n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9j s VAL 109 N -2.64 5.12 0.08 1.61 1.01 -1.08 -4.94 120.40 119.55 1r9j s VAL 109 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1r9j s VAL 109 Cb 0.00 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 1r9j s VAL 109 CO 0.00 -0.08 1.24 -0.33 0.00 0.00 0.00 175.10 175.93 1r9j h GLU 110 N 8.40 0.72 -4.23 2.72 4.39 -1.90 -3.39 114.58 121.28 1r9j h GLU 110 Ca -0.29 -0.67 -0.15 0.00 0.34 0.00 0.00 59.36 58.58 1r9j h GLU 110 Cb 1.14 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 29.81 1r9j h GLU 110 CO 0.71 1.26 -0.53 0.14 -1.16 0.00 0.00 179.01 179.44 1r9j s VAL 111 N -3.54 0.09 -0.20 3.13 -7.23 -1.26 -4.88 120.40 106.51 1r9j s VAL 111 Ca -0.10 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 1r9j s VAL 111 Cb 0.07 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 1r9j s VAL 111 CO 0.90 -0.41 0.13 0.42 -0.31 0.00 0.00 175.10 175.83 1r9j s THR 112 N -4.02 5.39 0.36 5.32 -4.23 -1.26 -4.28 115.64 112.93 1r9j s THR 112 Ca 0.21 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1r9j s THR 112 Cb 0.06 -3.46 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 1r9j s THR 112 CO 0.01 0.44 0.00 0.35 -0.54 0.00 0.00 174.62 174.88 1r9j n THR 113 N 3.52 0.00 0.00 3.99 -2.24 -0.89 -4.88 114.28 113.77 1r9j n THR 113 Ca -0.16 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1r9j n THR 113 Cb 0.52 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1r9j n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r9j n GLY 114 N 0.67 2.73 3.62 3.38 0.00 -1.26 -4.10 105.19 110.22 1r9j n GLY 114 Ca -0.15 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1r9j n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r9j s PRO 115 N 0.00 3.72 0.43 1.61 0.02 -1.26 -4.75 135.00 134.76 1r9j s PRO 115 Ca 0.00 1.51 -0.24 0.00 0.02 0.00 0.00 61.00 62.29 1r9j s PRO 115 Cb 0.00 -4.04 -0.10 0.00 0.02 0.00 0.00 34.50 30.38 1r9j s PRO 115 CO 0.00 -1.39 1.02 1.28 -0.33 0.00 0.00 177.00 177.58 1r9j n LEU 116 N 8.67 2.70 0.00 -5.54 4.77 -1.26 -2.93 117.00 123.42 1r9j n LEU 116 Ca 0.19 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1r9j n LEU 116 Cb 0.46 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1r9j n LEU 116 CO 0.66 -1.46 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 1r9j n GLY 117 N 1.17 2.95 0.11 -0.72 0.00 -1.26 -4.89 105.19 102.56 1r9j n GLY 117 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1r9j n GLY 117 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r9j h GLN 118 N 0.81 0.28 -0.48 1.61 1.08 -1.85 -3.09 115.11 113.45 1r9j h GLN 118 Ca 0.00 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1r9j h GLN 118 Cb 0.00 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.31 1r9j h GLN 118 CO 0.00 0.26 0.09 0.78 -0.95 0.00 0.00 178.83 179.00 1r9j h GLY 119 N 0.22 0.58 0.51 3.46 0.00 -1.80 0.14 103.07 106.17 1r9j h GLY 119 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1r9j h GLY 119 CO -0.01 -0.07 0.18 -2.22 0.00 0.00 0.00 176.54 174.41 1r9j h ILE 120 N 0.22 0.82 -0.29 2.60 1.08 -1.88 0.17 117.51 120.23 1r9j h ILE 120 Ca 0.24 -0.12 -0.12 0.00 -0.39 0.00 0.00 64.86 64.47 1r9j h ILE 120 Cb 0.32 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1r9j h ILE 120 CO -0.32 0.06 -0.30 0.00 -0.69 0.00 0.00 178.15 176.90 1r9j h ALA 121 N 1.34 0.93 -0.33 1.87 0.00 -1.29 -1.87 119.26 119.91 1r9j h ALA 121 Ca 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r9j h ALA 121 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r9j h ALA 121 CO -0.25 0.62 0.19 -0.91 0.00 0.00 0.00 179.25 178.89 1r9j h ASN 122 N 0.52 0.40 -0.96 0.00 -0.26 0.20 -2.05 115.58 113.43 1r9j h ASN 122 Ca 0.06 -0.07 0.07 0.00 -0.56 0.00 0.00 56.30 55.80 1r9j h ASN 122 Cb 0.78 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.88 1r9j h ASN 122 CO 0.06 0.36 0.62 0.00 -1.06 0.00 0.00 177.43 177.41 1r9j h ALA 123 N 1.06 1.46 -0.78 -0.83 0.00 -0.43 0.16 119.26 119.90 1r9j h ALA 123 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1r9j h ALA 123 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1r9j h ALA 123 CO -0.02 0.40 0.37 0.28 0.00 0.00 0.00 179.25 180.28 1r9j h VAL 124 N 1.11 1.24 -0.48 0.00 2.07 -0.86 0.16 116.25 119.49 1r9j h VAL 124 Ca 0.41 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1r9j h VAL 124 Cb 0.18 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1r9j h VAL 124 CO -0.16 0.29 -0.18 1.23 0.02 0.00 0.00 177.57 178.78 1r9j h GLY 125 N 1.14 1.05 1.07 2.17 0.00 -0.37 -0.30 103.07 107.83 1r9j h GLY 125 Ca 0.27 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1r9j h GLY 125 CO -0.03 0.83 0.45 1.41 0.00 0.00 0.00 176.54 179.19 1r9j h LEU 126 N 0.82 1.09 -0.48 3.11 3.38 0.04 -0.92 115.31 122.35 1r9j h LEU 126 Ca 0.11 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1r9j h LEU 126 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1r9j h LEU 126 CO 0.06 0.89 -0.39 0.00 0.09 0.00 0.00 178.44 179.09 1r9j h ALA 127 N 1.28 0.66 -0.70 1.53 0.00 -0.44 -2.51 119.26 119.08 1r9j h ALA 127 Ca 0.30 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1r9j h ALA 127 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1r9j h ALA 127 CO -0.04 0.67 0.19 0.82 0.00 0.00 0.00 179.25 180.88 1r9j h ILE 128 N 0.67 1.26 -0.02 0.00 2.04 -0.71 -2.10 117.51 118.65 1r9j h ILE 128 Ca 0.06 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1r9j h ILE 128 Cb 0.96 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1r9j h ILE 128 CO 0.09 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.61 1r9j h ALA 129 N 1.09 0.02 -0.19 1.87 0.00 -1.02 -0.88 119.26 120.15 1r9j h ALA 129 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1r9j h ALA 129 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1r9j h ALA 129 CO -0.00 -0.49 0.05 1.49 0.00 0.00 0.00 179.25 180.31 1r9j h GLU 130 N 0.01 0.13 -0.74 0.00 4.22 -1.33 -0.11 114.58 116.77 1r9j h GLU 130 Ca 0.01 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1r9j h GLU 130 Cb 0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1r9j h GLU 130 CO -0.01 0.09 0.49 0.00 -2.18 0.00 0.00 179.01 177.39 1r9j h ALA 131 N 1.13 0.95 -0.25 2.92 0.00 -1.25 -0.42 119.26 122.33 1r9j h ALA 131 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1r9j h ALA 131 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1r9j h ALA 131 CO -0.10 0.34 -0.23 1.25 0.00 0.00 0.00 179.25 180.51 1r9j h HIS 132 N 0.99 0.72 -0.14 0.00 -0.00 -0.87 -2.19 115.15 113.66 1r9j h HIS 132 Ca 0.28 -0.21 -0.10 0.00 -0.00 0.00 0.00 60.37 60.34 1r9j h HIS 132 Cb -0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1r9j h HIS 132 CO -0.02 0.91 -0.33 -0.07 -0.00 0.00 0.00 177.93 178.42 1r9j h LEU 133 N 0.32 0.30 -0.30 0.26 3.38 -0.89 -1.28 115.31 117.09 1r9j h LEU 133 Ca 0.04 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1r9j h LEU 133 Cb 0.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1r9j h LEU 133 CO 0.06 0.62 -0.11 0.00 0.09 0.00 0.00 178.44 179.10 1r9j h ALA 134 N 1.40 0.41 0.00 1.53 0.00 -1.04 0.14 119.26 121.70 1r9j h ALA 134 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1r9j h ALA 134 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1r9j h ALA 134 CO 0.05 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 1r9j h ALA 135 N 0.77 1.19 0.13 0.00 0.00 -1.20 -0.45 119.26 119.71 1r9j h ALA 135 Ca 0.07 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 1r9j h ALA 135 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1r9j h ALA 135 CO 0.04 0.25 -1.50 1.15 0.00 0.00 0.00 179.25 179.18 1r9j h THR 136 N 0.00 1.00 0.00 0.00 2.02 -0.92 -3.43 112.91 111.58 1r9j h THR 136 Ca -0.00 -2.43 -0.24 0.00 0.77 0.00 0.00 66.41 64.51 1r9j h THR 136 Cb 0.53 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 1r9j h THR 136 CO 0.03 0.75 -2.12 0.49 0.37 0.00 0.00 175.52 175.03 1r9j n PHE 137 N -3.83 0.00 -1.72 3.16 3.01 0.01 -5.00 117.46 113.08 1r9j n PHE 137 Ca -0.25 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.84 1r9j n PHE 137 Cb 0.95 -0.76 0.06 0.00 -0.01 0.00 0.00 39.48 39.72 1r9j n PHE 137 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1r9j n ASN 138 N -2.53 2.15 -4.03 4.37 3.02 -0.18 -4.91 115.26 113.15 1r9j n ASN 138 Ca -0.22 0.87 -0.08 0.00 -0.03 0.00 0.00 54.58 55.12 1r9j n ASN 138 Cb 0.93 -1.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.45 1r9j n ASN 138 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1r9j s ARG 139 N -3.19 0.66 -0.03 3.52 1.81 -0.82 -4.95 118.95 115.95 1r9j s ARG 139 Ca 0.79 -1.13 -0.34 0.00 -1.72 0.00 0.00 55.73 53.33 1r9j s ARG 139 Cb -0.39 0.24 -0.12 0.00 -0.45 0.00 0.00 34.95 34.22 1r9j s ARG 139 CO 0.43 -0.15 1.80 -2.30 -0.68 0.00 0.00 175.30 174.40 1r9j n PRO 140 N 0.12 2.14 -0.77 3.54 -0.02 -1.26 0.19 135.00 138.94 1r9j n PRO 140 Ca -0.15 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1r9j n PRO 140 Cb 0.61 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1r9j n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r9j n GLY 141 N 4.14 0.89 2.53 -1.23 0.00 -1.26 -4.97 105.19 105.29 1r9j n GLY 141 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1r9j n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r9j s TYR 142 N -3.54 1.49 -1.23 1.61 1.51 0.13 -5.03 117.35 112.29 1r9j s TYR 142 Ca 0.00 -2.31 -0.10 0.00 -1.01 0.00 0.00 57.07 53.65 1r9j s TYR 142 Cb 0.00 -1.33 0.19 0.00 -0.11 0.00 0.00 41.96 40.71 1r9j s TYR 142 CO 0.00 -0.78 1.63 -1.71 -1.11 0.00 0.00 175.55 173.58 1r9j n ASN 143 N 3.15 5.30 0.10 2.29 5.15 -1.26 -1.93 115.26 128.06 1r9j n ASN 143 Ca 0.20 -3.09 0.13 0.00 -0.60 0.00 0.00 54.58 51.22 1r9j n ASN 143 Cb 0.41 -1.48 0.35 0.00 -0.53 0.00 0.00 39.78 38.52 1r9j n ASN 143 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1r9j h ILE 144 N 4.02 0.00 -3.52 -1.44 3.07 -1.92 -3.42 117.51 114.30 1r9j h ILE 144 Ca 0.33 -0.51 -0.60 0.00 1.55 0.00 0.00 64.86 65.64 1r9j h ILE 144 Cb 0.73 1.42 -0.38 0.00 -0.27 0.00 0.00 36.82 38.32 1r9j h ILE 144 CO 1.42 0.00 -0.79 -0.69 -1.05 0.00 0.00 178.15 177.04 1r9j s VAL 145 N -3.12 1.47 -0.33 0.16 1.01 -1.26 -4.88 120.40 113.45 1r9j s VAL 145 Ca 0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1r9j s VAL 145 Cb 0.12 -1.68 0.19 0.00 0.00 0.00 0.00 36.38 35.01 1r9j s VAL 145 CO 0.63 0.00 0.83 -0.62 0.00 0.00 0.00 175.10 175.94 1r9j s ASP 146 N 1.44 -0.98 0.11 3.32 -1.08 -1.26 -4.72 116.67 113.51 1r9j s ASP 146 Ca -0.03 -0.20 -0.13 0.00 -0.52 0.00 0.00 52.55 51.67 1r9j s ASP 146 Cb -0.18 1.41 0.02 0.00 -1.46 0.00 0.00 42.92 42.71 1r9j s ASP 146 CO -0.07 -0.14 0.31 -1.38 0.52 0.00 0.00 175.17 174.40 1r9j s HIS 147 N 2.37 -0.03 0.26 -5.34 -3.43 -1.26 -4.96 115.29 102.89 1r9j s HIS 147 Ca 0.17 -0.33 0.06 0.00 -0.80 0.00 0.00 55.06 54.16 1r9j s HIS 147 Cb -0.03 0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.20 1r9j s HIS 147 CO -0.17 -0.63 0.31 0.71 -2.00 0.00 0.00 174.74 172.95 1r9j s TYR 148 N -3.83 3.29 -0.22 0.38 2.02 -1.26 -4.96 117.35 112.77 1r9j s TYR 148 Ca 0.04 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1r9j s TYR 148 Cb 0.03 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1r9j s TYR 148 CO -0.11 0.42 -0.12 0.99 -1.57 0.00 0.00 175.55 175.16 1r9j s THR 149 N -2.06 2.59 -0.14 -0.71 2.01 -0.48 -1.04 115.64 115.80 1r9j s THR 149 Ca 0.35 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1r9j s THR 149 Cb -0.08 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1r9j s THR 149 CO 0.28 0.37 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.25 1r9j s TYR 150 N 1.32 3.09 -0.04 4.92 2.02 0.54 -0.63 117.35 128.57 1r9j s TYR 150 Ca 0.03 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1r9j s TYR 150 Cb -0.15 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1r9j s TYR 150 CO -0.08 0.10 0.07 0.54 -1.57 0.00 0.00 175.55 174.62 1r9j s VAL 151 N 0.10 -0.11 0.28 0.71 0.11 -0.88 -0.62 120.40 119.99 1r9j s VAL 151 Ca 0.01 0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 59.22 1r9j s VAL 151 Cb -0.13 -0.15 -0.09 0.00 -1.53 0.00 0.00 36.38 34.48 1r9j s VAL 151 CO 0.02 0.14 0.76 -0.31 -3.33 0.00 0.00 175.10 172.38 1r9j s TYR 152 N 1.81 3.53 0.08 1.54 1.51 -0.09 -0.85 117.35 124.88 1r9j s TYR 152 Ca -0.00 1.37 -0.23 0.00 -1.01 0.00 0.00 57.07 57.19 1r9j s TYR 152 Cb -0.12 -2.62 0.06 0.00 -0.11 0.00 0.00 41.96 39.16 1r9j s TYR 152 CO -0.04 0.21 0.56 0.00 -1.11 0.00 0.00 175.55 175.18 1r9j n GLY 154 N 0.13 4.60 0.31 0.00 0.00 -1.26 -0.96 105.19 108.01 1r9j n GLY 154 Ca -0.18 -2.18 -0.05 0.00 0.00 0.00 0.00 46.02 43.62 1r9j n GLY 154 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r9j h ASP 155 N 0.00 0.95 -0.48 1.61 3.32 -1.89 -2.61 116.42 117.33 1r9j h ASP 155 Ca 0.00 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.06 1r9j h ASP 155 Cb 0.00 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.24 1r9j h ASP 155 CO 0.00 0.74 0.10 1.23 -1.72 0.00 0.00 179.24 179.59 1r9j h GLY 156 N 1.09 0.58 0.62 2.75 0.00 -1.96 -2.36 103.07 103.78 1r9j h GLY 156 Ca 0.28 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1r9j h GLY 156 CO -0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 176.54 176.35 1r9j h LEU 158 N -0.09 0.00 -0.25 0.00 3.38 -1.25 -2.15 115.31 114.95 1r9j h LEU 158 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1r9j h LEU 158 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1r9j h LEU 158 CO -0.18 0.03 -0.47 0.24 0.09 0.00 0.00 178.44 178.15 1r9j h MET 159 N 0.00 0.00 -6.69 1.13 2.86 -1.01 -3.43 114.93 107.79 1r9j h MET 159 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1r9j h MET 159 Cb 0.09 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.77 1r9j h MET 159 CO 0.00 0.47 0.54 -1.21 1.06 0.00 0.00 176.91 177.77 1r9j s GLU 160 N -3.12 4.52 0.31 1.72 0.41 -0.81 -4.95 118.70 116.78 1r9j s GLU 160 Ca 0.03 1.85 -0.01 0.00 -0.41 0.00 0.00 54.97 56.43 1r9j s GLU 160 Cb 0.08 -3.23 0.48 0.00 -1.78 0.00 0.00 34.13 29.68 1r9j s GLU 160 CO 0.73 -0.02 1.97 0.78 -0.49 0.00 0.00 175.26 178.23 1r9j h GLY 161 N 4.94 1.10 1.46 -1.39 0.00 -1.88 -2.01 103.07 105.29 1r9j h GLY 161 Ca -0.45 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.49 1r9j h GLY 161 CO 0.73 0.41 0.32 -0.24 0.00 0.00 0.00 176.54 177.75 1r9j h VAL 162 N 1.05 1.07 0.02 4.60 3.04 -1.92 0.11 116.25 124.22 1r9j h VAL 162 Ca 0.28 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1r9j h VAL 162 Cb -0.11 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1r9j h VAL 162 CO -0.06 0.10 -0.01 0.00 -1.01 0.00 0.00 177.57 176.59 1r9j h GLN 164 N -0.58 0.98 0.17 0.00 1.08 -0.81 0.47 115.11 116.42 1r9j h GLN 164 Ca -0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1r9j h GLN 164 Cb 0.55 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1r9j h GLN 164 CO 0.00 0.65 -0.08 0.93 -0.95 0.00 0.00 178.83 179.38 1r9j h GLU 165 N 1.01 -0.22 -0.48 1.46 5.08 -0.80 -1.53 114.58 119.09 1r9j h GLU 165 Ca 0.43 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1r9j h GLU 165 Cb 0.29 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1r9j h GLU 165 CO -0.21 -0.11 0.26 0.00 -1.00 0.00 0.00 179.01 177.94 1r9j h ALA 166 N 0.56 0.62 -0.73 3.43 0.00 -0.85 -1.68 119.26 120.60 1r9j h ALA 166 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r9j h ALA 166 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1r9j h ALA 166 CO 0.04 0.15 0.36 -0.07 0.00 0.00 0.00 179.25 179.73 1r9j h LEU 167 N 0.64 0.93 -0.26 0.00 3.38 -0.88 0.12 115.31 119.23 1r9j h LEU 167 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r9j h LEU 167 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1r9j h LEU 167 CO -0.03 0.78 0.17 -1.28 0.09 0.00 0.00 178.44 178.17 1r9j h SER 168 N 1.03 0.31 -0.33 -0.43 0.87 -0.84 0.31 113.55 114.47 1r9j h SER 168 Ca 0.25 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1r9j h SER 168 Cb 0.09 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1r9j h SER 168 CO -0.03 0.25 -0.25 0.25 -0.53 0.00 0.00 176.83 176.52 1r9j h LEU 169 N 0.34 0.86 -0.71 2.23 5.85 -0.89 -1.78 115.31 121.21 1r9j h LEU 169 Ca 0.10 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1r9j h LEU 169 Cb -0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1r9j h LEU 169 CO -0.02 1.07 0.41 0.00 -0.34 0.00 0.00 178.44 179.56 1r9j h ALA 170 N 0.99 0.91 -0.20 1.25 0.00 -0.46 0.14 119.26 121.90 1r9j h ALA 170 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r9j h ALA 170 Cb 0.79 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1r9j h ALA 170 CO 0.07 0.41 0.07 0.78 0.00 0.00 0.00 179.25 180.58 1r9j h GLY 171 N 0.98 0.33 1.52 0.00 0.00 -0.78 -0.84 103.07 104.27 1r9j h GLY 171 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1r9j h GLY 171 CO -0.04 0.17 0.32 0.84 0.00 0.00 0.00 176.54 177.82 1r9j h HIS 172 N 0.16 0.62 -0.00 5.60 6.17 -0.84 -1.57 115.15 125.28 1r9j h HIS 172 Ca 0.07 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1r9j h HIS 172 Cb 0.20 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1r9j h HIS 172 CO -0.01 0.40 -0.18 1.28 0.71 0.00 0.00 177.93 180.14 1r9j n LEU 173 N -4.45 0.41 -3.67 0.26 4.77 0.45 -4.75 117.00 110.02 1r9j n LEU 173 Ca 0.04 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 1r9j n LEU 173 Cb 0.06 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1r9j n LEU 173 CO 0.36 0.08 -0.06 0.00 -1.33 0.00 0.00 177.39 176.44 1r9j n ALA 174 N -1.17 -2.06 -2.32 -1.18 0.00 -0.35 -3.86 120.51 109.59 1r9j n ALA 174 Ca 0.11 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1r9j n ALA 174 Cb 0.31 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 1r9j n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r9j s LEU 175 N -6.61 3.41 0.61 0.00 1.43 -1.10 -4.45 118.68 111.97 1r9j s LEU 175 Ca 0.04 -1.69 0.36 0.00 -1.03 0.00 0.00 54.13 51.81 1r9j s LEU 175 Cb -0.01 -2.58 2.01 0.00 0.03 0.00 0.00 46.19 45.64 1r9j s LEU 175 CO 0.81 -2.12 2.27 1.05 0.23 0.00 0.00 176.35 178.59 1r9j h GLU 176 N 9.35 0.00 -0.20 1.70 4.11 -1.87 -2.14 114.58 125.53 1r9j h GLU 176 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1r9j h GLU 176 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1r9j h GLU 176 CO 1.34 0.02 0.00 1.63 0.07 0.00 0.00 179.01 182.06 1r9j n LYS 177 N -3.44 1.95 -3.21 1.06 5.02 -1.26 -4.67 118.16 113.61 1r9j n LYS 177 Ca -0.03 -1.43 -0.40 0.00 -2.02 0.00 0.00 58.31 54.44 1r9j n LYS 177 Cb 0.11 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1r9j n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1r9j s LEU 178 N -1.60 4.12 -0.28 -0.35 2.96 -0.81 -1.38 118.68 121.34 1r9j s LEU 178 Ca 0.34 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1r9j s LEU 178 Cb 0.19 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 44.22 1r9j s LEU 178 CO 0.28 -0.24 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.43 1r9j s ILE 179 N 1.91 1.77 -0.12 6.68 1.01 0.20 -1.00 121.20 131.66 1r9j s ILE 179 Ca 0.24 -1.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 1r9j s ILE 179 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1r9j s ILE 179 CO 0.09 -0.30 0.57 -0.69 0.00 0.00 0.00 174.94 174.61 1r9j s VAL 180 N 1.23 5.12 -0.39 2.92 1.01 0.71 -2.06 120.40 128.94 1r9j s VAL 180 Ca 0.00 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 1r9j s VAL 180 Cb -0.19 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.37 1r9j s VAL 180 CO -0.09 0.26 0.19 -0.63 0.00 0.00 0.00 175.10 174.84 1r9j s ILE 181 N 0.92 3.74 -0.33 2.22 1.01 -0.03 0.23 121.20 128.96 1r9j s ILE 181 Ca 0.30 -1.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1r9j s ILE 181 Cb -0.16 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1r9j s ILE 181 CO 0.13 -0.47 0.55 -0.47 0.00 0.00 0.00 174.94 174.67 1r9j s TYR 182 N 1.32 3.19 -0.78 3.97 5.04 0.77 -1.97 117.35 128.90 1r9j s TYR 182 Ca 0.03 0.34 -0.21 0.00 -2.44 0.00 0.00 57.07 54.79 1r9j s TYR 182 Cb -0.22 -2.93 0.10 0.00 0.35 0.00 0.00 41.96 39.25 1r9j s TYR 182 CO -0.00 -0.50 1.03 0.34 -1.34 0.00 0.00 175.55 175.08 1r9j s ASP 183 N 1.71 6.37 -0.52 4.32 2.15 -0.13 -1.81 116.67 128.76 1r9j s ASP 183 Ca 0.21 -1.48 -0.19 0.00 0.43 0.00 0.00 52.55 51.52 1r9j s ASP 183 Cb -0.15 -2.41 0.07 0.00 -0.30 0.00 0.00 42.92 40.13 1r9j s ASP 183 CO 0.13 -1.26 0.64 -0.55 -0.17 0.00 0.00 175.17 173.95 1r9j s SER 184 N 3.69 6.22 -0.06 -0.34 0.15 -0.33 -4.19 113.70 118.85 1r9j s SER 184 Ca 0.26 -0.99 0.08 0.00 0.70 0.00 0.00 55.95 56.00 1r9j s SER 184 Cb -0.12 -2.29 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1r9j s SER 184 CO 0.01 -0.93 1.01 -0.46 1.20 0.00 0.00 173.24 174.07 1r9j n ASN 185 N 6.21 1.69 -2.99 5.45 0.23 -1.26 -1.76 115.26 122.83 1r9j n ASN 185 Ca -0.07 -2.37 -0.19 0.00 -0.53 0.00 0.00 54.58 51.42 1r9j n ASN 185 Cb 0.45 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 1r9j n ASN 185 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1r9j n TYR 186 N -0.79 -1.68 -3.90 -2.53 4.02 -1.26 -4.62 117.16 106.39 1r9j n TYR 186 Ca 0.07 0.31 -0.11 0.00 -0.01 0.00 0.00 57.90 58.16 1r9j n TYR 186 Cb 0.50 -3.04 -0.13 0.00 -0.02 0.00 0.00 39.34 36.65 1r9j n TYR 186 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1r9j s ILE 187 N -2.84 0.04 0.27 -0.72 -1.09 -1.26 -2.27 121.20 113.33 1r9j s ILE 187 Ca 0.24 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.38 1r9j s ILE 187 Cb -0.13 -0.11 -0.01 0.00 -1.58 0.00 0.00 42.46 40.64 1r9j s ILE 187 CO 0.30 -0.17 0.30 -1.54 -1.23 0.00 0.00 174.94 172.60 1r9j n SER 188 N 2.56 -0.82 -0.11 3.58 3.41 0.78 -4.82 113.62 118.20 1r9j n SER 188 Ca -0.16 -2.62 -0.05 0.00 -0.26 0.00 0.00 58.87 55.78 1r9j n SER 188 Cb 0.58 1.67 0.02 0.00 -0.26 0.00 0.00 64.21 66.22 1r9j n SER 188 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1r9j h ILE 189 N 1.83 0.78 0.00 -1.33 2.04 -1.98 -1.80 117.51 117.05 1r9j h ILE 189 Ca -0.20 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1r9j h ILE 189 Cb 0.95 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1r9j h ILE 189 CO 0.28 0.03 -0.08 0.44 0.00 0.00 0.00 178.15 178.83 1r9j h ASP 190 N 0.17 0.00 0.00 1.72 5.19 -1.97 -3.47 116.42 118.05 1r9j h ASP 190 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1r9j h ASP 190 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1r9j h ASP 190 CO -0.25 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.55 1r9j n GLY 191 N -0.74 0.41 3.75 2.75 0.00 -0.68 -5.05 105.19 105.64 1r9j n GLY 191 Ca -0.02 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1r9j n GLY 191 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r9j n SER 192 N 0.00 3.39 0.30 1.61 2.88 -1.26 -0.16 113.62 120.39 1r9j n SER 192 Ca 0.00 1.19 0.19 0.00 -1.33 0.00 0.00 58.87 58.92 1r9j n SER 192 Cb 0.00 -1.58 0.93 0.00 -0.75 0.00 0.00 64.21 62.80 1r9j n SER 192 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1r9j h THR 193 N 2.65 0.04 0.00 2.46 1.35 -1.77 -2.15 112.91 115.49 1r9j h THR 193 Ca -0.50 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1r9j h THR 193 Cb 1.26 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1r9j h THR 193 CO 0.63 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.37 1r9j n SER 194 N -3.13 0.00 0.23 5.36 3.41 -1.26 0.46 113.62 118.70 1r9j n SER 194 Ca -0.01 0.49 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 1r9j n SER 194 Cb 0.20 -0.49 0.45 0.00 -0.26 0.00 0.00 64.21 64.11 1r9j n SER 194 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1r9j h LEU 195 N 0.00 0.00 0.00 1.04 3.38 -1.76 -3.40 115.31 114.57 1r9j h LEU 195 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r9j h LEU 195 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r9j h LEU 195 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1r9j n SER 196 N -2.97 0.00 -3.50 -0.43 3.41 -0.84 -5.09 113.62 104.20 1r9j n SER 196 Ca 0.02 -0.97 -0.24 0.00 -0.26 0.00 0.00 58.87 57.42 1r9j n SER 196 Cb 0.39 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 1r9j n SER 196 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1r9j s PHE 197 N 0.00 0.02 -0.36 7.33 5.36 0.17 -5.04 117.98 125.47 1r9j s PHE 197 Ca 0.00 -0.50 0.14 0.00 -0.96 0.00 0.00 56.93 55.61 1r9j s PHE 197 Cb 0.00 -0.70 0.43 0.00 -0.34 0.00 0.00 43.02 42.42 1r9j s PHE 197 CO 0.00 -0.80 0.95 0.25 -1.46 0.00 0.00 175.22 174.16 1r9j n THR 198 N 5.28 1.14 -3.18 0.12 -2.24 -1.26 -4.16 114.28 109.99 1r9j n THR 198 Ca -0.05 -3.69 -0.29 0.00 -2.27 0.00 0.00 64.05 57.75 1r9j n THR 198 Cb 0.45 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1r9j n THR 198 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1r9j s GLU 199 N -3.11 3.70 -1.27 -0.78 2.02 -1.26 -4.97 118.70 113.03 1r9j s GLU 199 Ca 0.33 0.19 -0.17 0.00 0.02 0.00 0.00 54.97 55.34 1r9j s GLU 199 Cb 0.43 -2.56 0.09 0.00 0.10 0.00 0.00 34.13 32.19 1r9j s GLU 199 CO -0.02 0.14 1.66 -0.65 0.02 0.00 0.00 175.26 176.40 1r9j s GLN 200 N -3.59 3.99 0.23 1.61 -1.52 -1.26 -4.84 119.66 114.28 1r9j s GLN 200 Ca 0.47 -2.09 -0.07 0.00 -1.95 0.00 0.00 55.36 51.71 1r9j s GLN 200 Cb -0.11 -5.43 0.37 0.00 -0.22 0.00 0.00 33.01 27.62 1r9j s GLN 200 CO 0.30 -2.15 1.71 0.00 -0.25 0.00 0.00 175.29 174.89 1r9j h HIS 202 N 0.32 -0.32 -0.85 0.00 -0.00 -2.00 -0.53 115.15 111.77 1r9j h HIS 202 Ca 0.36 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1r9j h HIS 202 Cb 0.55 0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.05 1r9j h HIS 202 CO -0.23 -0.19 0.48 0.37 -0.00 0.00 0.00 177.93 178.36 1r9j h GLN 203 N -0.25 1.18 0.30 5.26 5.75 -1.89 -2.49 115.11 122.98 1r9j h GLN 203 Ca 0.02 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1r9j h GLN 203 Cb 0.26 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1r9j h GLN 203 CO -0.07 0.86 -0.16 -0.22 -2.65 0.00 0.00 178.83 176.58 1r9j h LYS 204 N 1.18 -0.42 0.00 1.69 3.64 -0.48 -2.00 116.57 120.19 1r9j h LYS 204 Ca 0.30 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1r9j h LYS 204 Cb 0.01 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1r9j h LYS 204 CO -0.05 -0.28 -0.32 1.88 -2.27 0.00 0.00 179.45 178.41 1r9j h TYR 205 N -0.44 0.00 -0.46 1.91 -1.99 -1.07 -2.01 116.97 112.90 1r9j h TYR 205 Ca -0.04 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1r9j h TYR 205 Cb 0.35 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 1r9j h TYR 205 CO -0.07 0.32 -0.16 0.28 -0.00 0.00 0.00 178.16 178.52 1r9j h VAL 206 N 0.00 1.27 0.00 -2.88 2.07 -1.34 -0.05 116.25 115.32 1r9j h VAL 206 Ca -0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1r9j h VAL 206 Cb 0.82 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1r9j h VAL 206 CO 0.04 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.02 1r9j h ALA 207 N 1.02 1.07 -0.30 1.67 0.00 -0.65 -1.65 119.26 120.42 1r9j h ALA 207 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r9j h ALA 207 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r9j h ALA 207 CO 0.05 0.06 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 1r9j n MET 208 N -3.25 2.04 -0.32 0.00 2.00 -0.76 -4.92 117.12 111.90 1r9j n MET 208 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 57.70 56.12 1r9j n MET 208 Cb 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1r9j n MET 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r9j n GLY 209 N 1.26 0.81 3.90 3.03 0.00 -0.62 -4.24 105.19 109.33 1r9j n GLY 209 Ca 0.17 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1r9j n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r9j s PHE 210 N -2.00 3.55 -0.47 1.61 0.40 -0.10 -4.10 117.98 116.86 1r9j s PHE 210 Ca 0.00 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 56.57 1r9j s PHE 210 Cb 0.00 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.68 1r9j s PHE 210 CO 0.00 0.60 0.58 -1.58 0.70 0.00 0.00 175.22 175.53 1r9j s HIS 211 N -1.38 3.08 -0.07 0.36 5.65 -0.35 -4.10 115.29 118.48 1r9j s HIS 211 Ca 0.30 -0.41 -0.18 0.00 0.25 0.00 0.00 55.06 55.03 1r9j s HIS 211 Cb -0.13 -3.35 -0.05 0.00 -1.18 0.00 0.00 32.58 27.88 1r9j s HIS 211 CO 0.20 -0.92 0.47 0.08 -0.65 0.00 0.00 174.74 173.92 1r9j s VAL 212 N 2.54 5.09 -0.10 0.89 1.01 -1.26 -2.09 120.40 126.48 1r9j s VAL 212 Ca 0.16 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1r9j s VAL 212 Cb -0.18 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1r9j s VAL 212 CO 0.14 0.41 -0.12 -0.63 0.00 0.00 0.00 175.10 174.90 1r9j s ILE 213 N 0.00 1.27 -0.03 2.22 1.01 -0.19 -4.97 121.20 120.51 1r9j s ILE 213 Ca 0.26 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 1r9j s ILE 213 Cb -0.16 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1r9j s ILE 213 CO 0.12 0.40 0.10 -1.61 0.00 0.00 0.00 174.94 173.95 1r9j s GLU 214 N 1.18 3.17 -0.38 2.79 2.02 -1.26 0.16 118.70 126.38 1r9j s GLU 214 Ca -0.04 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.57 1r9j s GLU 214 Cb -0.14 -2.94 0.12 0.00 0.10 0.00 0.00 34.13 31.27 1r9j s GLU 214 CO -0.03 0.68 0.19 0.08 0.02 0.00 0.00 175.26 176.19 1r9j s VAL 215 N -1.15 1.06 0.48 2.63 1.01 -0.22 -4.93 120.40 119.29 1r9j s VAL 215 Ca 0.21 -2.06 0.21 0.00 0.00 0.00 0.00 61.98 60.34 1r9j s VAL 215 Cb -0.12 -1.76 0.37 0.00 0.00 0.00 0.00 36.38 34.87 1r9j s VAL 215 CO 0.12 -0.84 1.97 0.11 0.00 0.00 0.00 175.10 176.46 1r9j h LYS 216 N 7.22 0.19 -3.10 2.72 1.79 -1.89 -2.18 116.57 121.31 1r9j h LYS 216 Ca -0.04 -0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.79 1r9j h LYS 216 Cb 0.96 -0.04 -0.41 0.00 -1.58 0.00 0.00 32.23 31.16 1r9j h LYS 216 CO 0.45 0.12 -0.65 1.21 -1.08 0.00 0.00 179.45 179.50 1r9j s ASN 217 N -6.13 4.18 0.00 0.86 3.84 -1.26 -4.25 114.94 112.18 1r9j s ASN 217 Ca -0.06 -3.33 0.28 0.00 0.21 0.00 0.00 52.86 49.96 1r9j s ASN 217 Cb 0.20 -1.44 1.68 0.00 -0.55 0.00 0.00 41.25 41.14 1r9j s ASN 217 CO 0.75 -0.17 2.08 0.61 -2.79 0.00 0.00 177.10 177.58 1r9j n GLY 218 N 2.65 -1.00 0.09 1.21 0.00 0.34 -1.84 105.19 106.64 1r9j n GLY 218 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1r9j n GLY 218 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r9j h ASP 219 N 0.00 0.11 0.00 1.61 3.32 -1.87 -3.42 116.42 116.16 1r9j h ASP 219 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1r9j h ASP 219 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1r9j h ASP 219 CO 0.00 1.15 0.00 0.35 -1.72 0.00 0.00 179.24 179.02 1r9j n THR 220 N -3.24 0.00 -2.70 0.35 -2.24 -1.23 -4.85 114.28 100.37 1r9j n THR 220 Ca -0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1r9j n THR 220 Cb 1.02 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 70.42 1r9j n THR 220 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1r9j n ASP 221 N 0.00 5.03 -0.01 3.42 2.03 -0.77 -4.79 116.55 121.46 1r9j n ASP 221 Ca 0.00 -2.94 -0.03 0.00 0.52 0.00 0.00 54.79 52.34 1r9j n ASP 221 Cb 0.12 -1.69 0.21 0.00 -0.72 0.00 0.00 41.12 39.05 1r9j n ASP 221 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1r9j h TYR 222 N 7.39 0.60 -0.28 -0.67 -1.99 -1.95 -1.63 116.97 118.43 1r9j h TYR 222 Ca 0.41 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.92 1r9j h TYR 222 Cb 0.87 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1r9j h TYR 222 CO 1.31 0.68 -0.29 0.93 -0.00 0.00 0.00 178.16 180.79 1r9j h GLU 223 N 0.50 0.58 -0.36 4.88 4.39 -1.99 -0.55 114.58 122.03 1r9j h GLU 223 Ca 0.08 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 1r9j h GLU 223 Cb 0.57 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1r9j h GLU 223 CO 0.04 0.81 -0.00 0.78 -1.16 0.00 0.00 179.01 179.48 1r9j h GLY 224 N 1.02 0.70 0.99 -3.84 0.00 -1.87 -1.16 103.07 98.91 1r9j h GLY 224 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1r9j h GLY 224 CO 0.06 0.47 0.30 1.41 0.00 0.00 0.00 176.54 178.78 1r9j h LEU 225 N 0.46 0.68 -0.40 3.11 3.38 -1.08 -0.18 115.31 121.27 1r9j h LEU 225 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1r9j h LEU 225 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1r9j h LEU 225 CO 0.02 0.57 0.23 0.03 0.09 0.00 0.00 178.44 179.38 1r9j h ARG 226 N 0.73 0.56 -0.23 1.13 3.08 -0.93 -2.40 114.38 116.32 1r9j h ARG 226 Ca 0.19 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1r9j h ARG 226 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1r9j h ARG 226 CO -0.03 0.43 -0.35 0.87 -1.07 0.00 0.00 179.97 179.82 1r9j h LYS 227 N 0.52 0.49 -0.32 0.04 6.56 -0.99 -2.04 116.57 120.82 1r9j h LYS 227 Ca 0.14 -0.22 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1r9j h LYS 227 Cb 0.03 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1r9j h LYS 227 CO -0.02 0.78 0.19 0.00 -2.06 0.00 0.00 179.45 178.33 1r9j h ALA 228 N 1.21 0.41 -0.50 3.86 0.00 -0.82 0.12 119.26 123.54 1r9j h ALA 228 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1r9j h ALA 228 Cb 0.81 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1r9j h ALA 228 CO 0.07 -0.09 -0.14 -0.07 0.00 0.00 0.00 179.25 179.02 1r9j h LEU 229 N 0.41 0.97 -0.37 0.00 3.38 -1.34 -0.55 115.31 117.81 1r9j h LEU 229 Ca 0.11 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1r9j h LEU 229 Cb 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1r9j h LEU 229 CO -0.02 1.10 0.13 0.00 0.09 0.00 0.00 178.44 179.74 1r9j h ALA 230 N 0.98 0.49 -0.72 1.53 0.00 -1.10 -1.91 119.26 118.53 1r9j h ALA 230 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1r9j h ALA 230 Cb 0.70 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1r9j h ALA 230 CO 0.05 0.12 0.25 1.49 0.00 0.00 0.00 179.25 181.16 1r9j h GLU 231 N 0.46 1.09 -0.86 0.00 4.81 -0.61 -0.53 114.58 118.93 1r9j h GLU 231 Ca 0.12 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1r9j h GLU 231 Cb 0.23 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1r9j h GLU 231 CO -0.01 0.91 0.54 0.00 -0.73 0.00 0.00 179.01 179.72 1r9j h ALA 232 N 1.22 1.33 0.00 2.92 0.00 -0.79 0.12 119.26 124.07 1r9j h ALA 232 Ca 0.24 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1r9j h ALA 232 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1r9j h ALA 232 CO -0.01 0.59 -0.78 0.87 0.00 0.00 0.00 179.25 179.92 1r9j h LYS 233 N 1.18 0.00 0.16 0.00 1.79 -0.91 -3.32 116.57 115.47 1r9j h LYS 233 Ca 0.31 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.48 1r9j h LYS 233 Cb -0.09 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1r9j h LYS 233 CO -0.06 0.78 -1.28 0.00 -1.08 0.00 0.00 179.45 177.81 1r9j h ALA 234 N 1.22 -0.07 -2.82 3.86 0.00 -0.41 -3.45 119.26 117.60 1r9j h ALA 234 Ca -0.01 -0.79 -0.52 0.00 0.00 0.00 0.00 54.91 53.59 1r9j h ALA 234 Cb 1.51 0.13 0.05 0.00 0.00 0.00 0.00 17.79 19.48 1r9j h ALA 234 CO 0.10 0.66 0.64 0.99 0.00 0.00 0.00 179.25 181.64 1r9j s THR 235 N -2.83 2.88 0.25 0.00 2.01 0.37 -5.03 115.64 113.29 1r9j s THR 235 Ca -0.10 0.84 0.08 0.00 0.31 0.00 0.00 61.69 62.82 1r9j s THR 235 Cb 0.05 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1r9j s THR 235 CO 0.93 0.18 -0.13 -0.54 -0.69 0.00 0.00 174.62 174.37 1r9j s LYS 236 N -1.25 1.51 0.00 4.92 1.02 -1.26 -4.80 119.74 119.87 1r9j s LYS 236 Ca 0.51 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1r9j s LYS 236 Cb -0.39 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1r9j s LYS 236 CO 0.48 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 1r9j n GLY 237 N -0.53 1.48 3.13 -3.33 0.00 -1.26 -5.03 105.19 99.65 1r9j n GLY 237 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1r9j n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9j s LYS 238 N -0.54 0.51 0.70 1.61 1.02 -1.26 -4.72 119.74 117.06 1r9j s LYS 238 Ca 0.00 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1r9j s LYS 238 Cb 0.00 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1r9j s LYS 238 CO 0.00 -0.12 1.09 -2.14 -0.92 0.00 0.00 175.35 173.26 1r9j s PRO 239 N -1.25 2.64 0.13 -1.68 0.02 -1.22 -4.05 135.00 129.59 1r9j s PRO 239 Ca -0.13 1.24 0.07 0.00 0.02 0.00 0.00 61.00 62.19 1r9j s PRO 239 Cb -0.07 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1r9j s PRO 239 CO 0.02 -1.36 -0.04 0.15 -0.33 0.00 0.00 177.00 175.44 1r9j s LYS 240 N -4.53 2.32 -0.18 5.54 3.01 -0.17 -1.22 119.74 124.52 1r9j s LYS 240 Ca 0.63 -1.02 -0.04 0.00 -1.01 0.00 0.00 55.97 54.53 1r9j s LYS 240 Cb -0.18 -2.37 0.06 0.00 -1.01 0.00 0.00 37.83 34.33 1r9j s LYS 240 CO 0.48 0.49 0.06 1.41 0.51 0.00 0.00 175.35 178.30 1r9j s MET 241 N -2.53 0.41 -0.34 1.68 1.75 -0.89 -0.21 119.30 119.18 1r9j s MET 241 Ca 0.25 -0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.25 1r9j s MET 241 Cb -0.10 -1.92 -0.01 0.00 2.84 0.00 0.00 34.83 35.64 1r9j s MET 241 CO 0.17 -0.63 0.52 0.42 -0.65 0.00 0.00 175.02 174.85 1r9j s ILE 242 N 1.98 5.01 -0.49 10.11 1.01 0.13 -1.02 121.20 137.93 1r9j s ILE 242 Ca 0.01 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 1r9j s ILE 242 Cb -0.16 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.43 1r9j s ILE 242 CO -0.08 -0.19 0.45 -0.69 0.00 0.00 0.00 174.94 174.44 1r9j s VAL 243 N 2.40 5.16 -0.15 2.92 1.01 0.12 -0.16 120.40 131.71 1r9j s VAL 243 Ca 0.19 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1r9j s VAL 243 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1r9j s VAL 243 CO 0.13 -0.67 0.04 0.00 0.00 0.00 0.00 175.10 174.61 1r9j s GLN 244 N 1.83 3.65 -0.27 2.72 -2.07 -0.75 -1.05 119.66 123.72 1r9j s GLN 244 Ca 0.06 -0.36 -0.15 0.00 -1.82 0.00 0.00 55.36 53.10 1r9j s GLN 244 Cb -0.24 -3.08 -0.04 0.00 -1.09 0.00 0.00 33.01 28.57 1r9j s GLN 244 CO 0.07 0.43 0.36 0.99 -1.32 0.00 0.00 175.29 175.81 1r9j s THR 245 N -0.08 5.18 0.26 3.63 2.01 -0.82 -1.18 115.64 124.64 1r9j s THR 245 Ca 0.06 0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.61 1r9j s THR 245 Cb -0.12 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1r9j s THR 245 CO 0.01 0.16 0.04 0.42 -0.69 0.00 0.00 174.62 174.56 1r9j s THR 246 N 2.05 0.90 -0.38 -0.82 -4.23 -0.72 -0.50 115.64 111.93 1r9j s THR 246 Ca 0.14 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 1r9j s THR 246 Cb -0.16 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1r9j s THR 246 CO 0.10 -0.16 0.23 -0.89 -0.54 0.00 0.00 174.62 173.35 1r9j s THR 247 N -3.51 4.72 0.19 3.99 2.01 -1.26 -4.16 115.64 117.61 1r9j s THR 247 Ca 0.33 -0.82 -0.33 0.00 0.31 0.00 0.00 61.69 61.18 1r9j s THR 247 Cb 0.07 -3.63 -0.14 0.00 0.01 0.00 0.00 72.50 68.81 1r9j s THR 247 CO 0.11 -0.25 1.52 0.00 -0.69 0.00 0.00 174.62 175.31 1r9j n ILE 248 N 5.03 0.33 -2.25 1.82 3.06 -1.26 -1.21 119.36 124.87 1r9j n ILE 248 Ca -0.12 -0.08 -0.14 0.00 -2.50 0.00 0.00 62.75 59.91 1r9j n ILE 248 Cb 0.46 -1.52 -0.01 0.00 0.54 0.00 0.00 39.64 39.12 1r9j n ILE 248 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r9j n GLY 249 N 2.97 -0.19 3.66 4.50 0.00 -0.64 -0.35 105.19 115.14 1r9j n GLY 249 Ca 0.15 -0.29 -0.60 0.00 0.00 0.00 0.00 46.02 45.28 1r9j n GLY 249 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1r9j n PHE 250 N -3.99 1.55 0.00 1.61 7.35 -0.35 -1.16 117.46 122.49 1r9j n PHE 250 Ca -0.17 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1r9j n PHE 250 Cb 0.63 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 38.17 1r9j n PHE 250 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r9j n GLY 251 N 3.24 2.59 3.78 7.13 0.00 -1.26 -4.89 105.19 115.77 1r9j n GLY 251 Ca 0.25 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1r9j n GLY 251 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9j s SER 252 N 0.06 5.57 0.51 1.61 0.15 -0.30 -4.68 113.70 116.62 1r9j s SER 252 Ca 0.00 2.07 0.27 0.00 0.70 0.00 0.00 55.95 58.99 1r9j s SER 252 Cb 0.00 -2.57 1.38 0.00 -1.71 0.00 0.00 66.02 63.13 1r9j s SER 252 CO 0.00 -1.32 2.04 0.77 1.20 0.00 0.00 173.24 175.93 1r9j h SER 253 N 0.78 0.00 -0.64 5.45 4.64 -1.89 -2.04 113.55 119.85 1r9j h SER 253 Ca -0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.65 1r9j h SER 253 Cb 1.25 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.23 1r9j h SER 253 CO 0.56 0.13 0.20 0.29 -0.87 0.00 0.00 176.83 177.14 1r9j n LYS 254 N -3.60 3.43 -1.76 4.77 5.02 -1.26 -5.01 118.16 119.75 1r9j n LYS 254 Ca -0.02 -3.07 -0.36 0.00 -2.02 0.00 0.00 58.31 52.84 1r9j n LYS 254 Cb 0.26 -2.13 0.06 0.00 -0.02 0.00 0.00 35.03 33.21 1r9j n LYS 254 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1r9j s GLN 255 N -3.00 2.58 0.00 1.97 -2.07 -0.77 -3.03 119.66 115.34 1r9j s GLN 255 Ca 0.52 1.96 0.00 0.00 -1.82 0.00 0.00 55.36 56.02 1r9j s GLN 255 Cb 0.42 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 30.48 1r9j s GLN 255 CO 0.12 -1.55 0.00 0.41 -1.32 0.00 0.00 175.29 172.95 1r9j n GLY 256 N 0.73 0.57 3.48 2.60 0.00 0.53 -4.97 105.19 108.13 1r9j n GLY 256 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1r9j n GLY 256 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r9j s THR 257 N -2.48 1.83 -0.79 2.61 -4.23 -1.17 -4.93 115.64 106.49 1r9j s THR 257 Ca 0.00 -2.14 0.18 0.00 -1.18 0.00 0.00 61.69 58.56 1r9j s THR 257 Cb 0.00 -2.56 0.17 0.00 1.34 0.00 0.00 72.50 71.45 1r9j s THR 257 CO 0.00 -0.24 1.57 -1.84 -0.54 0.00 0.00 174.62 173.58 1r9j n GLU 258 N -0.68 0.08 0.25 3.99 0.00 -1.26 -3.09 120.64 119.93 1r9j n GLU 258 Ca -0.05 0.31 0.10 0.00 0.00 0.00 0.00 57.16 57.53 1r9j n GLU 258 Cb 0.64 -1.65 0.67 0.00 0.00 0.00 0.00 31.44 31.09 1r9j n GLU 258 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1r9j h LYS 259 N 0.00 0.00 -0.44 3.44 1.57 -1.94 -2.00 116.57 117.20 1r9j h LYS 259 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r9j h LYS 259 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1r9j h LYS 259 CO 0.00 0.13 0.00 1.33 -0.57 0.00 0.00 179.45 180.34 1r9j n VAL 260 N -3.89 0.58 0.24 0.50 0.24 -1.18 -4.49 118.33 110.34 1r9j n VAL 260 Ca -0.02 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1r9j n VAL 260 Cb 0.23 0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 33.03 1r9j n VAL 260 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1r9j h HIS 261 N 3.25 -0.62 -1.17 6.34 6.17 -1.55 0.27 115.15 127.84 1r9j h HIS 261 Ca 0.00 -0.01 -0.42 0.00 0.71 0.00 0.00 60.37 60.64 1r9j h HIS 261 Cb 0.73 0.21 -0.40 0.00 2.52 0.00 0.00 27.41 30.46 1r9j h HIS 261 CO 0.29 -0.36 -1.08 0.41 0.71 0.00 0.00 177.93 177.90 1r9j n GLY 262 N 0.01 2.69 3.47 5.26 0.00 -1.26 -3.98 105.19 111.38 1r9j n GLY 262 Ca -0.09 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1r9j n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 263 N -3.20 -1.49 0.40 4.61 0.00 -0.57 -4.56 121.76 116.95 1r9j s ALA 263 Ca 0.33 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 1r9j s ALA 263 Cb 0.44 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.13 1r9j s ALA 263 CO -0.02 -0.32 1.23 -2.30 0.00 0.00 0.00 175.76 174.35 1r9j n PRO 264 N 1.61 1.87 0.23 0.00 -0.02 -1.26 -4.53 135.00 132.89 1r9j n PRO 264 Ca -0.18 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1r9j n PRO 264 Cb 0.56 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.31 1r9j n PRO 264 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1r9j h LEU 265 N 2.10 0.00 0.00 2.45 3.38 -1.94 -3.49 115.31 117.80 1r9j h LEU 265 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1r9j h LEU 265 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1r9j h LEU 265 CO 0.60 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1r9j n GLY 266 N -0.62 2.26 0.13 0.83 0.00 -1.26 -4.45 105.19 102.07 1r9j n GLY 266 Ca -0.02 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1r9j n GLY 266 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1r9j h GLU 267 N 0.00 0.33 0.06 1.61 4.81 -1.99 -2.33 114.58 117.06 1r9j h GLU 267 Ca 0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1r9j h GLU 267 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1r9j h GLU 267 CO 0.00 0.44 -0.03 1.49 -0.73 0.00 0.00 179.01 180.19 1r9j h GLU 268 N 0.15 -0.07 -0.82 1.92 4.81 -2.00 -1.81 114.58 116.76 1r9j h GLU 268 Ca 0.07 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1r9j h GLU 268 Cb 0.26 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1r9j h GLU 268 CO -0.00 0.09 0.54 0.22 -0.73 0.00 0.00 179.01 179.12 1r9j h ASP 269 N -0.22 0.82 -0.67 1.04 3.58 -1.77 -1.53 116.42 117.67 1r9j h ASP 269 Ca -0.01 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1r9j h ASP 269 Cb 0.20 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 1r9j h ASP 269 CO 0.01 0.54 0.15 0.40 -2.88 0.00 0.00 179.24 177.47 1r9j h ILE 270 N 0.94 1.26 -0.77 2.25 2.04 -1.22 -1.53 117.51 120.48 1r9j h ILE 270 Ca 0.34 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1r9j h ILE 270 Cb 0.15 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1r9j h ILE 270 CO -0.11 0.37 0.30 0.00 0.00 0.00 0.00 178.15 178.70 1r9j h ALA 271 N 1.07 1.07 -0.12 1.87 0.00 -0.43 -2.21 119.26 120.50 1r9j h ALA 271 Ca 0.21 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1r9j h ALA 271 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1r9j h ALA 271 CO 0.00 0.65 -0.50 -0.91 0.00 0.00 0.00 179.25 178.49 1r9j h ASN 272 N 1.12 0.35 -0.49 0.00 2.35 -1.10 -2.54 115.58 115.27 1r9j h ASN 272 Ca 0.26 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1r9j h ASN 272 Cb 0.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1r9j h ASN 272 CO -0.02 0.80 0.14 0.40 -1.65 0.00 0.00 177.43 177.10 1r9j h ILE 273 N 0.26 1.23 0.01 2.81 2.04 -0.96 0.06 117.51 122.97 1r9j h ILE 273 Ca 0.01 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1r9j h ILE 273 Cb 0.98 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1r9j h ILE 273 CO 0.08 0.29 -0.01 0.11 0.00 0.00 0.00 178.15 178.62 1r9j h LYS 274 N 0.66 -0.02 -0.74 2.37 1.57 -1.33 -2.19 116.57 116.90 1r9j h LYS 274 Ca 0.16 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1r9j h LYS 274 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1r9j h LYS 274 CO -0.00 0.18 0.45 0.00 -0.57 0.00 0.00 179.45 179.51 1r9j h ALA 275 N 0.77 0.98 -0.60 3.86 0.00 -1.39 0.30 119.26 123.18 1r9j h ALA 275 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1r9j h ALA 275 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1r9j h ALA 275 CO 0.00 0.21 0.41 -0.22 0.00 0.00 0.00 179.25 179.65 1r9j h LYS 276 N 0.86 0.36 -0.50 0.00 3.64 -0.74 0.14 116.57 120.34 1r9j h LYS 276 Ca 0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1r9j h LYS 276 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r9j h LYS 276 CO -0.14 0.24 0.00 1.19 -2.27 0.00 0.00 179.45 178.47 1r9j n PHE 277 N -4.46 0.66 -2.13 1.91 3.72 -0.34 -4.92 117.46 111.89 1r9j n PHE 277 Ca 0.10 -0.33 -0.10 0.00 -0.05 0.00 0.00 57.45 57.07 1r9j n PHE 277 Cb 0.40 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 1r9j n PHE 277 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r9j n GLY 278 N 1.34 0.03 3.72 1.37 0.00 0.51 -5.03 105.19 107.13 1r9j n GLY 278 Ca 0.18 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1r9j n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r9j s ARG 279 N -4.40 2.57 -0.09 1.61 0.52 0.92 -4.98 118.95 115.11 1r9j s ARG 279 Ca 0.00 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 1r9j s ARG 279 Cb 0.00 -2.37 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 1r9j s ARG 279 CO 0.00 0.40 1.88 0.34 0.02 0.00 0.00 175.30 177.94 1r9j s ASP 280 N -3.57 6.29 0.00 0.23 -1.08 -1.26 -3.44 116.67 113.83 1r9j s ASP 280 Ca 0.31 2.21 0.21 0.00 -0.52 0.00 0.00 52.55 54.76 1r9j s ASP 280 Cb -0.08 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.09 1r9j s ASP 280 CO 0.22 -1.25 1.64 -0.81 0.52 0.00 0.00 175.17 175.49 1r9j n PRO 281 N 7.72 0.72 -0.05 4.34 -0.04 -1.26 -3.35 135.00 143.07 1r9j n PRO 281 Ca 0.21 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1r9j n PRO 281 Cb 0.43 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 1r9j n PRO 281 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1r9j n GLN 282 N -0.95 1.71 -3.20 0.54 3.00 -1.26 -4.68 117.38 112.54 1r9j n GLN 282 Ca 0.15 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 1r9j n GLN 282 Cb 0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 30.24 28.95 1r9j n GLN 282 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1r9j s LYS 283 N -2.41 4.35 0.19 -1.09 1.02 -1.21 -5.08 119.74 115.50 1r9j s LYS 283 Ca -0.06 0.66 0.08 0.00 0.02 0.00 0.00 55.97 56.68 1r9j s LYS 283 Cb 0.05 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1r9j s LYS 283 CO 0.50 0.20 -0.05 0.15 -0.92 0.00 0.00 175.35 175.24 1r9j s LYS 284 N 0.39 2.23 -1.44 1.68 1.02 -1.26 -4.60 119.74 117.76 1r9j s LYS 284 Ca 0.31 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 1r9j s LYS 284 Cb -0.17 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1r9j s LYS 284 CO 0.15 0.44 0.55 0.66 -0.92 0.00 0.00 175.35 176.22 1r9j n TYR 285 N -0.12 -1.75 -3.76 3.18 4.02 -1.26 -4.92 117.16 112.55 1r9j n TYR 285 Ca -0.10 0.78 -0.37 0.00 -0.01 0.00 0.00 57.90 58.20 1r9j n TYR 285 Cb 0.56 -3.75 -0.12 0.00 -0.02 0.00 0.00 39.34 36.01 1r9j n TYR 285 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1r9j s ASP 286 N -4.15 5.29 -0.27 7.72 2.15 -1.26 -5.07 116.67 121.08 1r9j s ASP 286 Ca 0.15 -1.35 -0.09 0.00 0.43 0.00 0.00 52.55 51.69 1r9j s ASP 286 Cb -0.08 -1.86 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 1r9j s ASP 286 CO 0.88 -0.38 0.13 -0.69 -0.17 0.00 0.00 175.17 174.94 1r9j s VAL 287 N 1.34 4.74 0.41 1.11 1.01 -1.26 -4.92 120.40 122.83 1r9j s VAL 287 Ca -0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1r9j s VAL 287 Cb -0.21 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 1r9j s VAL 287 CO 0.01 0.27 1.45 -1.81 0.00 0.00 0.00 175.10 175.01 1r9j s ASP 288 N 1.67 6.12 0.42 3.32 1.01 -1.26 -4.90 116.67 123.06 1r9j s ASP 288 Ca 0.06 2.96 0.19 0.00 0.71 0.00 0.00 52.55 56.48 1r9j s ASP 288 Cb -0.16 -2.66 0.93 0.00 1.01 0.00 0.00 42.92 42.05 1r9j s ASP 288 CO 0.07 -1.01 1.88 0.44 0.21 0.00 0.00 175.17 176.75 1r9j h ASP 289 N 2.67 0.00 1.27 0.27 3.32 -1.98 -1.84 116.42 120.12 1r9j h ASP 289 Ca -0.51 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1r9j h ASP 289 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1r9j h ASP 289 CO 0.63 0.29 -0.24 -2.24 -1.72 0.00 0.00 179.24 175.95 1r9j h ASP 290 N 0.00 0.00 -0.05 6.45 2.03 -1.91 -1.14 116.42 121.81 1r9j h ASP 290 Ca -0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1r9j h ASP 290 Cb 0.63 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.14 1r9j h ASP 290 CO 0.04 0.24 -0.86 0.58 -1.03 0.00 0.00 179.24 178.22 1r9j h VAL 291 N 0.00 1.31 -0.26 4.15 2.07 -1.67 -2.76 116.25 119.09 1r9j h VAL 291 Ca -0.00 -2.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 1r9j h VAL 291 Cb 0.95 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1r9j h VAL 291 CO 0.03 0.65 0.01 0.03 0.02 0.00 0.00 177.57 178.31 1r9j h ARG 292 N 0.32 0.38 -0.63 1.57 3.08 -1.15 -2.08 114.38 115.86 1r9j h ARG 292 Ca -0.09 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1r9j h ARG 292 Cb 1.51 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1r9j h ARG 292 CO 0.17 0.40 0.19 0.00 -1.07 0.00 0.00 179.97 179.66 1r9j h ALA 293 N 1.65 1.14 -0.50 0.04 0.00 -1.06 0.76 119.26 121.29 1r9j h ALA 293 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1r9j h ALA 293 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r9j h ALA 293 CO 0.00 0.59 0.21 0.28 0.00 0.00 0.00 179.25 180.34 1r9j h VAL 294 N 0.94 1.21 -0.31 0.00 2.07 -1.09 -1.15 116.25 117.91 1r9j h VAL 294 Ca 0.21 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1r9j h VAL 294 Cb 0.28 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1r9j h VAL 294 CO -0.01 0.24 0.01 -0.26 0.02 0.00 0.00 177.57 177.57 1r9j h PHE 295 N 0.66 0.60 -0.99 1.57 -1.00 -1.24 -2.82 116.94 113.73 1r9j h PHE 295 Ca 0.17 -0.10 0.08 0.00 2.81 0.00 0.00 57.97 60.93 1r9j h PHE 295 Cb 0.17 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.50 1r9j h PHE 295 CO 0.00 0.67 0.64 -0.09 -1.61 0.00 0.00 178.31 177.92 1r9j h ARG 296 N 0.35 1.06 -0.47 1.51 9.65 -0.65 0.51 114.38 126.34 1r9j h ARG 296 Ca 0.09 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 1r9j h ARG 296 Cb 0.43 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1r9j h ARG 296 CO 0.01 0.70 0.05 1.98 2.80 0.00 0.00 179.97 185.52 1r9j h MET 297 N 1.09 0.80 0.09 0.20 4.05 -1.10 -1.01 114.93 119.06 1r9j h MET 297 Ca 0.45 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1r9j h MET 297 Cb 0.28 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1r9j h MET 297 CO -0.20 0.83 -0.04 1.25 0.23 0.00 0.00 176.91 178.97 1r9j h HIS 298 N 0.67 -0.12 -0.32 1.39 -0.00 -1.13 -2.71 115.15 112.93 1r9j h HIS 298 Ca 0.14 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1r9j h HIS 298 Cb 0.43 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1r9j h HIS 298 CO 0.03 0.09 0.18 0.82 -0.00 0.00 0.00 177.93 179.05 1r9j h ILE 299 N -0.31 1.10 -0.72 6.26 5.03 -0.85 -1.58 117.51 126.44 1r9j h ILE 299 Ca -0.01 -0.24 -0.03 0.00 -0.12 0.00 0.00 64.86 64.45 1r9j h ILE 299 Cb 0.26 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 34.68 1r9j h ILE 299 CO 0.02 0.11 0.33 0.44 -0.68 0.00 0.00 178.15 178.37 1r9j h ASP 300 N 0.44 0.96 -0.29 1.72 3.32 -0.99 0.28 116.42 121.86 1r9j h ASP 300 Ca 0.12 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1r9j h ASP 300 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1r9j h ASP 300 CO -0.02 0.84 0.08 0.11 -1.72 0.00 0.00 179.24 178.53 1r9j h LYS 301 N 1.02 0.46 -0.16 3.56 1.57 -1.00 -1.46 116.57 120.56 1r9j h LYS 301 Ca 0.25 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1r9j h LYS 301 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1r9j h LYS 301 CO -0.03 0.52 -0.33 0.00 -0.57 0.00 0.00 179.45 179.05 1r9j h SER 303 N 0.28 0.96 -0.66 0.00 0.87 -0.18 -0.30 113.55 114.52 1r9j h SER 303 Ca 0.04 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1r9j h SER 303 Cb 0.71 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1r9j h SER 303 CO 0.05 0.88 0.12 0.00 -0.53 0.00 0.00 176.83 177.36 1r9j h ALA 304 N 1.11 0.94 -0.78 6.23 0.00 -0.89 -2.02 119.26 123.84 1r9j h ALA 304 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r9j h ALA 304 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1r9j h ALA 304 CO -0.02 0.66 0.51 0.93 0.00 0.00 0.00 179.25 181.34 1r9j h GLU 305 N 1.03 1.03 -0.35 0.00 5.08 -0.56 -0.12 114.58 120.70 1r9j h GLU 305 Ca 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1r9j h GLU 305 Cb 0.43 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1r9j h GLU 305 CO 0.01 0.69 0.18 0.37 -1.00 0.00 0.00 179.01 179.25 1r9j h GLN 306 N 1.06 0.50 -0.53 2.33 4.15 -0.68 0.44 115.11 122.37 1r9j h GLN 306 Ca 0.29 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1r9j h GLN 306 Cb -0.12 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.44 1r9j h GLN 306 CO -0.06 0.44 0.31 -0.22 -1.93 0.00 0.00 178.83 177.37 1r9j h LYS 307 N 0.43 0.60 -0.45 1.69 3.64 -0.94 0.62 116.57 122.16 1r9j h LYS 307 Ca 0.12 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1r9j h LYS 307 Cb 0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1r9j h LYS 307 CO -0.02 0.40 0.02 0.00 -2.27 0.00 0.00 179.45 177.58 1r9j h ALA 308 N 1.25 1.19 -0.47 5.00 0.00 -0.66 -1.75 119.26 123.82 1r9j h ALA 308 Ca 0.22 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1r9j h ALA 308 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1r9j h ALA 308 CO -0.11 0.53 -0.19 2.35 0.00 0.00 0.00 179.25 181.83 1r9j h TRP 309 N 0.68 1.10 -0.53 0.00 7.01 0.12 -2.11 115.95 122.23 1r9j h TRP 309 Ca 0.14 -0.26 -0.02 0.00 2.11 0.00 0.00 58.89 60.85 1r9j h TRP 309 Cb 0.40 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1r9j h TRP 309 CO 0.02 1.07 0.24 0.93 -2.79 0.00 0.00 178.44 177.91 1r9j h GLU 310 N 0.81 0.75 -0.34 2.65 5.08 0.67 -1.24 114.58 122.97 1r9j h GLU 310 Ca 0.11 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1r9j h GLU 310 Cb 0.76 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1r9j h GLU 310 CO 0.06 0.60 -0.22 0.93 -1.00 0.00 0.00 179.01 179.37 1r9j h GLU 311 N 0.75 0.75 -0.86 2.33 5.08 -1.12 -1.89 114.58 119.61 1r9j h GLU 311 Ca 0.18 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1r9j h GLU 311 Cb 0.11 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1r9j h GLU 311 CO -0.02 0.97 0.57 1.25 -1.00 0.00 0.00 179.01 180.78 1r9j h LEU 312 N 0.52 0.99 -1.29 1.33 5.85 -0.89 0.19 115.31 122.01 1r9j h LEU 312 Ca 0.07 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1r9j h LEU 312 Cb 0.78 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1r9j h LEU 312 CO 0.06 0.72 -0.30 0.25 -0.34 0.00 0.00 178.44 178.83 1r9j h LEU 313 N 1.17 0.09 -0.15 2.25 5.85 -1.13 0.34 115.31 123.72 1r9j h LEU 313 Ca 0.32 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1r9j h LEU 313 Cb -0.13 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1r9j h LEU 313 CO -0.07 0.39 -0.10 0.00 -0.34 0.00 0.00 178.44 178.32 1r9j h ALA 314 N 1.62 0.22 -0.36 1.25 0.00 -0.30 0.63 119.26 122.32 1r9j h ALA 314 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1r9j h ALA 314 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1r9j h ALA 314 CO 0.04 0.05 0.05 -0.22 0.00 0.00 0.00 179.25 179.17 1r9j h LYS 315 N -0.00 0.60 -0.54 0.00 3.64 -0.67 -2.42 116.57 117.18 1r9j h LYS 315 Ca 0.03 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1r9j h LYS 315 Cb 0.59 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1r9j h LYS 315 CO 0.03 0.68 0.14 -0.92 -2.27 0.00 0.00 179.45 177.11 1r9j h TYR 316 N 0.43 0.24 0.00 1.91 3.20 -0.25 -0.01 116.97 122.49 1r9j h TYR 316 Ca 0.11 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1r9j h TYR 316 Cb 0.38 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1r9j h TYR 316 CO 0.03 0.02 -0.12 1.15 -1.64 0.00 0.00 178.16 177.60 1r9j h THR 317 N 0.29 0.64 0.06 1.81 2.02 -0.65 -0.23 112.91 116.85 1r9j h THR 317 Ca 0.27 -0.51 -0.22 0.00 0.77 0.00 0.00 66.41 66.73 1r9j h THR 317 Cb 0.36 1.32 0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1r9j h THR 317 CO -0.33 0.12 -0.89 0.00 0.37 0.00 0.00 175.52 174.79 1r9j h ALA 318 N 1.88 0.03 0.00 6.16 0.00 -0.53 -2.56 119.26 124.24 1r9j h ALA 318 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1r9j h ALA 318 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r9j h ALA 318 CO 0.02 0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 1r9j n ALA 319 N -2.64 2.42 -3.13 0.00 0.00 -0.65 -4.23 120.51 112.28 1r9j n ALA 319 Ca -0.12 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1r9j n ALA 319 Cb 0.82 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1r9j n ALA 319 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r9j n PHE 320 N -2.12 -0.68 -0.28 0.00 3.72 -0.12 -5.02 117.46 112.95 1r9j n PHE 320 Ca 0.05 -3.36 -0.04 0.00 -0.05 0.00 0.00 57.45 54.05 1r9j n PHE 320 Cb 0.42 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1r9j n PHE 320 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1r9j h PRO 321 N 3.79 -0.09 -0.12 -1.08 0.11 -1.63 -0.59 132.00 132.39 1r9j h PRO 321 Ca 0.05 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1r9j h PRO 321 Cb 0.92 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1r9j h PRO 321 CO 0.44 -0.06 0.07 0.00 -0.21 0.00 0.00 178.00 178.24 1r9j h ALA 322 N 1.10 0.16 -0.59 -0.75 0.00 -1.95 -2.04 119.26 115.18 1r9j h ALA 322 Ca 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1r9j h ALA 322 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1r9j h ALA 322 CO -0.82 -0.31 0.13 0.93 0.00 0.00 0.00 179.25 179.19 1r9j h GLU 323 N 0.11 0.92 -0.55 0.00 3.07 -1.84 -1.47 114.58 114.82 1r9j h GLU 323 Ca 0.04 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 1r9j h GLU 323 Cb 0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1r9j h GLU 323 CO -0.01 0.83 0.20 0.78 -1.40 0.00 0.00 179.01 179.41 1r9j h GLY 324 N 1.01 0.89 1.15 -3.84 0.00 -0.98 0.15 103.07 101.46 1r9j h GLY 324 Ca 0.19 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1r9j h GLY 324 CO 0.00 0.48 0.07 0.00 0.00 0.00 0.00 176.54 177.09 1r9j h ALA 325 N 1.05 0.95 -0.07 3.60 0.00 -1.10 -1.85 119.26 121.84 1r9j h ALA 325 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r9j h ALA 325 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r9j h ALA 325 CO -0.01 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.89 1r9j h ALA 326 N 1.11 0.09 -0.14 0.00 0.00 -0.93 -0.50 119.26 118.89 1r9j h ALA 326 Ca 0.19 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1r9j h ALA 326 Cb 0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1r9j h ALA 326 CO 0.02 -0.25 -0.31 0.35 0.00 0.00 0.00 179.25 179.06 1r9j h PHE 327 N -0.14 -0.84 -0.98 0.00 3.57 -0.55 0.46 116.94 118.45 1r9j h PHE 327 Ca 0.02 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1r9j h PHE 327 Cb 0.30 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1r9j h PHE 327 CO 0.02 -0.38 0.64 0.28 -2.23 0.00 0.00 178.31 176.64 1r9j h VAL 328 N -0.38 1.17 -0.15 1.41 2.07 -1.30 -1.33 116.25 117.74 1r9j h VAL 328 Ca 0.10 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1r9j h VAL 328 Cb 0.53 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1r9j h VAL 328 CO -0.35 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 177.42 1r9j h ALA 329 N 1.43 0.21 -0.51 1.67 0.00 0.38 -3.03 119.26 119.41 1r9j h ALA 329 Ca 0.39 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1r9j h ALA 329 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1r9j h ALA 329 CO -0.12 -0.02 0.14 1.96 0.00 0.00 0.00 179.25 181.21 1r9j h GLN 330 N -0.01 0.81 0.00 0.00 4.20 0.10 -1.72 115.11 118.49 1r9j h GLN 330 Ca 0.04 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1r9j h GLN 330 Cb 0.50 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1r9j h GLN 330 CO 0.02 0.76 0.00 0.52 -0.67 0.00 0.00 178.83 179.46 1r9j h MET 331 N 0.70 0.00 -0.00 1.46 2.86 -1.29 0.16 114.93 118.82 1r9j h MET 331 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1r9j h MET 331 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1r9j h MET 331 CO -0.00 0.00 -0.69 0.54 1.06 0.00 0.00 176.91 177.82 1r9j n ARG 332 N -2.74 0.24 -1.12 1.72 1.74 -0.84 -4.42 116.66 111.25 1r9j n ARG 332 Ca -0.01 -0.18 -0.02 0.00 -0.77 0.00 0.00 57.85 56.87 1r9j n ARG 332 Cb 0.11 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1r9j n ARG 332 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r9j n GLY 333 N 1.47 0.49 3.75 -0.13 0.00 0.55 -5.02 105.19 106.30 1r9j n GLY 333 Ca 0.06 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1r9j n GLY 333 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9j s GLU 334 N -2.28 4.76 -0.14 1.61 2.02 -0.71 -5.02 118.70 118.95 1r9j s GLU 334 Ca 0.00 1.40 -0.11 0.00 0.02 0.00 0.00 54.97 56.28 1r9j s GLU 334 Cb 0.00 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 1r9j s GLU 334 CO 0.00 0.48 0.21 -0.51 0.02 0.00 0.00 175.26 175.46 1r9j s LEU 335 N -0.96 4.31 0.26 1.80 1.43 -1.26 -4.55 118.68 119.70 1r9j s LEU 335 Ca 0.41 0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 53.68 1r9j s LEU 335 Cb -0.25 -2.23 -0.12 0.00 0.03 0.00 0.00 46.19 43.62 1r9j s LEU 335 CO 0.30 0.25 1.60 -2.65 0.23 0.00 0.00 176.35 176.08 1r9j n PRO 336 N 2.82 2.59 -1.45 1.29 -0.02 -1.26 -4.91 135.00 134.05 1r9j n PRO 336 Ca -0.16 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 1r9j n PRO 336 Cb 0.53 -2.70 0.09 0.00 -0.02 0.00 0.00 33.50 31.39 1r9j n PRO 336 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1r9j s SER 337 N 0.65 4.35 0.00 2.55 1.04 -1.26 -3.81 113.70 117.23 1r9j s SER 337 Ca 0.68 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.33 1r9j s SER 337 Cb -0.53 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.01 1r9j s SER 337 CO 0.44 -2.15 0.00 0.61 0.98 0.00 0.00 173.24 173.12 1r9j n GLY 338 N 0.04 0.75 0.21 7.32 0.00 -1.26 -4.96 105.19 107.28 1r9j n GLY 338 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1r9j n GLY 338 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1r9j h TRP 339 N 0.00 0.87 -0.87 1.61 5.08 -1.93 -3.30 115.95 117.41 1r9j h TRP 339 Ca 0.00 -0.31 0.02 0.00 1.08 0.00 0.00 58.89 59.68 1r9j h TRP 339 Cb 0.00 -0.16 -0.05 0.00 -3.00 0.00 0.00 29.16 25.95 1r9j h TRP 339 CO 0.00 1.09 0.57 1.49 -1.28 0.00 0.00 178.44 180.31 1r9j h GLU 340 N 0.40 1.10 0.00 0.12 4.81 -1.93 -1.60 114.58 117.49 1r9j h GLU 340 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1r9j h GLU 340 Cb 1.03 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1r9j h GLU 340 CO 0.10 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 179.10 1r9j h ALA 341 N 1.34 1.00 0.00 2.92 0.00 -2.00 -2.38 119.26 120.14 1r9j h ALA 341 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1r9j h ALA 341 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1r9j h ALA 341 CO -0.10 0.00 -0.29 1.63 0.00 0.00 0.00 179.25 180.49 1r9j n LYS 342 N -2.75 0.12 -2.11 0.00 5.02 -0.60 -4.91 118.16 112.93 1r9j n LYS 342 Ca -0.01 0.06 -0.37 0.00 -2.02 0.00 0.00 58.31 55.98 1r9j n LYS 342 Cb 0.16 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1r9j n LYS 342 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r9j s LEU 343 N -3.60 3.89 0.74 -0.35 1.43 -0.90 -4.97 118.68 114.92 1r9j s LEU 343 Ca 0.11 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 1r9j s LEU 343 Cb 0.16 -4.35 0.04 0.00 0.03 0.00 0.00 46.19 42.07 1r9j s LEU 343 CO 0.64 -1.21 1.11 -2.84 0.23 0.00 0.00 176.35 174.28 1r9j s PRO 344 N -2.92 2.35 0.30 1.29 0.02 -1.26 -5.09 135.00 129.69 1r9j s PRO 344 Ca 0.69 1.33 0.05 0.00 0.02 0.00 0.00 61.00 63.09 1r9j s PRO 344 Cb -0.31 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.25 1r9j s PRO 344 CO 0.36 -1.59 -0.00 0.95 -0.33 0.00 0.00 177.00 176.39 1r9j s THR 345 N -2.60 1.42 0.50 0.99 -4.23 -1.26 -4.48 115.64 105.97 1r9j s THR 345 Ca 0.65 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.90 1r9j s THR 345 Cb -0.20 -2.61 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 1r9j s THR 345 CO 0.50 -0.17 0.48 0.59 -0.54 0.00 0.00 174.62 175.48 1r9j n ASN 346 N -0.63 -1.17 0.00 3.99 3.02 -1.26 -4.71 115.26 114.51 1r9j n ASN 346 Ca -0.04 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1r9j n ASN 346 Cb 0.65 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1r9j n ASN 346 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r9j n SER 347 N 1.01 0.00 -4.92 6.41 3.41 -1.26 -5.00 113.62 113.27 1r9j n SER 347 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1r9j n SER 347 Cb 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1r9j n SER 347 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1r9j s SER 348 N 1.74 6.32 -0.00 4.04 0.01 -1.26 -4.91 113.70 119.64 1r9j s SER 348 Ca 0.00 0.65 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 1r9j s SER 348 Cb 0.00 -2.12 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 1r9j s SER 348 CO 0.00 -0.36 1.53 0.00 0.41 0.00 0.00 173.24 174.82 1r9j s ALA 349 N -2.40 3.62 0.22 1.44 0.00 -1.26 -4.83 121.76 118.55 1r9j s ALA 349 Ca 0.43 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 1r9j s ALA 349 Cb -0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1r9j s ALA 349 CO 0.37 -1.10 0.25 0.96 0.00 0.00 0.00 175.76 176.24 1r9j s ILE 350 N 2.92 0.00 0.32 0.00 -4.36 -1.21 -4.84 121.20 114.02 1r9j s ILE 350 Ca 0.69 -1.80 -0.26 0.00 -0.26 0.00 0.00 60.65 59.02 1r9j s ILE 350 Cb -0.34 -2.39 -0.10 0.00 1.25 0.00 0.00 42.46 40.88 1r9j s ILE 350 CO 0.28 -0.00 0.97 0.00 0.24 0.00 0.00 174.94 176.43 1r9j s ALA 351 N -4.11 3.22 -0.67 2.27 0.00 -1.26 -1.44 121.76 119.77 1r9j s ALA 351 Ca 0.33 0.59 0.15 0.00 0.00 0.00 0.00 51.96 53.04 1r9j s ALA 351 Cb 0.04 -3.21 0.71 0.00 0.00 0.00 0.00 23.12 20.66 1r9j s ALA 351 CO 0.11 0.09 1.47 0.25 0.00 0.00 0.00 175.76 177.68 1r9j n THR 352 N 0.61 1.19 -0.13 0.00 -2.24 -1.26 -0.46 114.28 112.00 1r9j n THR 352 Ca 0.02 0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1r9j n THR 352 Cb 0.49 -1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 1r9j n THR 352 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1r9j h ARG 353 N 0.00 0.69 -0.04 -0.78 2.43 -1.84 -0.87 114.38 113.98 1r9j h ARG 353 Ca 0.00 -0.25 -0.18 0.00 -0.81 0.00 0.00 59.98 58.74 1r9j h ARG 353 Cb 0.17 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1r9j h ARG 353 CO 0.00 0.83 -0.76 -0.22 -1.51 0.00 0.00 179.97 178.31 1r9j h LYS 354 N 0.50 0.30 -0.36 0.20 1.63 -1.05 -2.77 116.57 115.02 1r9j h LYS 354 Ca 0.10 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1r9j h LYS 354 Cb 0.55 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 1r9j h LYS 354 CO 0.03 0.93 0.09 0.00 -3.45 0.00 0.00 179.45 177.05 1r9j h ALA 355 N 0.99 1.50 -0.39 5.00 0.00 -1.01 -0.48 119.26 124.86 1r9j h ALA 355 Ca -0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1r9j h ALA 355 Cb 1.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1r9j h ALA 355 CO 0.12 0.38 -0.35 1.03 0.00 0.00 0.00 179.25 180.43 1r9j h SER 356 N 0.51 0.97 -0.48 0.00 0.87 -0.97 -2.23 113.55 112.22 1r9j h SER 356 Ca 0.12 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1r9j h SER 356 Cb 0.19 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1r9j h SER 356 CO -0.00 1.21 0.24 -0.08 -0.53 0.00 0.00 176.83 177.67 1r9j h GLU 357 N 0.76 0.69 -0.51 2.24 4.81 -1.07 -0.43 114.58 121.07 1r9j h GLU 357 Ca 0.07 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1r9j h GLU 357 Cb 0.93 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1r9j h GLU 357 CO 0.09 0.57 0.34 -0.91 -0.73 0.00 0.00 179.01 178.36 1r9j h ASN 358 N 0.63 0.50 -0.31 1.04 2.35 -0.95 0.60 115.58 119.44 1r9j h ASN 358 Ca 0.17 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1r9j h ASN 358 Cb 0.10 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1r9j h ASN 358 CO -0.02 0.34 -0.35 0.00 -1.65 0.00 0.00 177.43 175.75 1r9j h LEU 360 N 0.54 0.00 -1.75 0.00 3.38 -0.07 0.82 115.31 118.23 1r9j h LEU 360 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1r9j h LEU 360 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1r9j h LEU 360 CO 0.09 0.30 -0.17 0.00 0.09 0.00 0.00 178.44 178.75 1r9j h ALA 361 N 1.70 1.47 0.08 1.53 0.00 -0.79 -1.16 119.26 122.09 1r9j h ALA 361 Ca -0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 1r9j h ALA 361 Cb 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1r9j h ALA 361 CO 0.04 0.21 -1.94 0.28 0.00 0.00 0.00 179.25 177.84 1r9j n VAL 362 N -3.97 1.69 -0.18 0.00 0.31 -0.73 -4.49 118.33 110.96 1r9j n VAL 362 Ca -0.02 -0.51 -0.10 0.00 -0.01 0.00 0.00 64.34 63.69 1r9j n VAL 362 Cb 0.25 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.42 1r9j n VAL 362 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1r9j h LEU 363 N -0.19 0.92 -0.14 7.52 3.38 -0.72 -2.64 115.31 123.45 1r9j h LEU 363 Ca -0.44 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.24 1r9j h LEU 363 Cb 1.86 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 1r9j h LEU 363 CO -0.01 1.02 -0.11 -0.26 0.09 0.00 0.00 178.44 179.18 1r9j h PHE 364 N 0.79 -0.26 -0.06 1.13 0.05 -1.45 0.27 116.94 117.41 1r9j h PHE 364 Ca 0.14 0.02 -0.14 0.00 3.82 0.00 0.00 57.97 61.81 1r9j h PHE 364 Cb 0.58 0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.65 1r9j h PHE 364 CO 0.04 -0.16 -0.57 -1.00 -0.18 0.00 0.00 178.31 176.44 1r9j h PRO 365 N -0.12 0.19 0.00 1.51 0.13 -1.78 -3.22 132.00 128.71 1r9j h PRO 365 Ca 0.09 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1r9j h PRO 365 Cb 0.24 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1r9j h PRO 365 CO -0.21 0.71 -0.21 0.00 -0.23 0.00 0.00 178.00 178.06 1r9j h ALA 366 N 1.26 0.87 -2.93 -0.56 0.00 -1.15 -3.39 119.26 113.36 1r9j h ALA 366 Ca -0.00 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 1r9j h ALA 366 Cb 1.05 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1r9j h ALA 366 CO 0.09 0.27 -0.72 0.42 0.00 0.00 0.00 179.25 179.30 1r9j s ILE 367 N -3.14 1.84 0.65 0.00 1.01 0.91 -4.59 121.20 117.89 1r9j s ILE 367 Ca 0.05 -3.28 0.33 0.00 0.00 0.00 0.00 60.65 57.75 1r9j s ILE 367 Cb 0.06 -2.25 0.34 0.00 0.01 0.00 0.00 42.46 40.63 1r9j s ILE 367 CO 0.70 -1.00 2.03 1.55 0.00 0.00 0.00 174.94 178.21 1r9j h PRO 368 N 5.99 0.00 0.00 2.79 0.13 -1.77 0.59 132.00 139.73 1r9j h PRO 368 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1r9j h PRO 368 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1r9j h PRO 368 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1r9j h ALA 369 N 1.51 1.00 -2.71 -0.56 0.00 -1.90 -3.45 119.26 113.15 1r9j h ALA 369 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.41 1r9j h ALA 369 Cb 0.55 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.41 1r9j h ALA 369 CO -0.00 0.00 0.96 -1.17 0.00 0.00 0.00 179.25 179.04 1r9j s LEU 370 N -5.80 4.36 -0.12 0.00 2.96 0.20 -1.85 118.68 118.43 1r9j s LEU 370 Ca 0.06 2.90 -0.06 0.00 -0.22 0.00 0.00 54.13 56.80 1r9j s LEU 370 Cb 0.08 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.20 1r9j s LEU 370 CO 0.60 -0.95 0.28 -0.32 -1.32 0.00 0.00 176.35 174.64 1r9j s MET 371 N 0.52 0.25 0.11 1.98 -2.45 -0.38 -4.89 119.30 114.44 1r9j s MET 371 Ca 0.70 0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 55.65 1r9j s MET 371 Cb -0.49 -0.09 0.02 0.00 1.25 0.00 0.00 34.83 35.52 1r9j s MET 371 CO 0.38 -0.16 0.32 0.41 1.05 0.00 0.00 175.02 177.02 1r9j n GLY 372 N 4.19 1.41 0.00 2.11 0.00 -0.98 -1.97 105.19 109.94 1r9j n GLY 372 Ca -0.24 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1r9j n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r9j n GLY 373 N -0.22 0.67 3.16 -0.02 0.00 -1.08 -0.20 105.19 107.50 1r9j n GLY 373 Ca -0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1r9j n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r9j s SER 374 N -0.14 1.21 -1.27 1.61 0.15 -1.18 -0.32 113.70 113.76 1r9j s SER 374 Ca 0.00 -0.89 -0.10 0.00 0.70 0.00 0.00 55.95 55.66 1r9j s SER 374 Cb 0.00 0.06 0.17 0.00 -1.71 0.00 0.00 66.02 64.54 1r9j s SER 374 CO 0.00 -0.37 1.84 0.00 1.20 0.00 0.00 173.24 175.91 1r9j n ALA 375 N 0.32 5.26 -3.13 5.45 0.00 -0.25 -2.42 120.51 125.75 1r9j n ALA 375 Ca -0.15 -4.32 -0.22 0.00 0.00 0.00 0.00 53.44 48.75 1r9j n ALA 375 Cb 0.59 -2.97 0.05 0.00 0.00 0.00 0.00 19.45 17.12 1r9j n ALA 375 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r9j n ASP 376 N 3.92 -6.08 -1.38 0.00 2.03 -1.19 -4.38 116.55 109.46 1r9j n ASP 376 Ca 0.39 -0.34 0.04 0.00 0.52 0.00 0.00 54.79 55.41 1r9j n ASP 376 Cb 0.37 -4.85 0.04 0.00 -0.72 0.00 0.00 41.12 35.95 1r9j n ASP 376 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1r9j n LEU 377 N -4.14 1.14 -0.02 -2.67 4.77 -1.26 -4.94 117.00 109.88 1r9j n LEU 377 Ca -0.08 -2.15 -0.10 0.00 -0.03 0.00 0.00 56.01 53.64 1r9j n LEU 377 Cb 0.60 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1r9j n LEU 377 CO 0.50 0.58 0.65 0.74 -1.33 0.00 0.00 177.39 178.53 1r9j h THR 378 N 6.41 0.29 0.00 -5.08 2.02 -1.90 0.60 112.91 115.25 1r9j h THR 378 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1r9j h THR 378 Cb 1.80 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1r9j h THR 378 CO 0.09 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.17 1r9j n PRO 379 N -5.41 0.05 -0.13 6.66 -0.04 -1.26 -0.89 135.00 133.98 1r9j n PRO 379 Ca -0.02 0.32 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 1r9j n PRO 379 Cb 0.32 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 1r9j n PRO 379 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r9j n SER 380 N -1.69 1.98 0.19 3.54 7.64 -0.39 -4.43 113.62 120.46 1r9j n SER 380 Ca 0.03 -0.08 0.08 0.00 1.01 0.00 0.00 58.87 59.91 1r9j n SER 380 Cb 0.17 -0.46 0.16 0.00 -1.01 0.00 0.00 64.21 63.07 1r9j n SER 380 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1r9j h ASN 381 N -0.10 0.00 -5.75 6.43 -0.26 0.17 -3.48 115.58 112.59 1r9j h ASN 381 Ca -0.59 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 54.80 1r9j h ASN 381 Cb 1.87 0.00 0.15 0.00 -1.06 0.00 0.00 38.32 39.28 1r9j h ASN 381 CO -0.12 0.22 -0.76 0.18 -1.06 0.00 0.00 177.43 175.89 1r9j n LEU 382 N -3.17 -3.79 -0.99 1.61 4.77 -0.07 -4.83 117.00 110.52 1r9j n LEU 382 Ca 0.03 -0.63 0.12 0.00 -0.03 0.00 0.00 56.01 55.49 1r9j n LEU 382 Cb 0.59 -3.05 0.24 0.00 -2.33 0.00 0.00 43.42 38.87 1r9j n LEU 382 CO 0.36 0.44 0.71 0.35 -1.33 0.00 0.00 177.39 177.92 1r9j n THR 383 N -4.32 0.36 -3.36 -5.08 -2.24 -1.24 -4.11 114.28 94.30 1r9j n THR 383 Ca -0.23 -0.62 -0.26 0.00 -2.27 0.00 0.00 64.05 60.67 1r9j n THR 383 Cb 0.65 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1r9j n THR 383 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r9j n ARG 384 N 1.21 1.42 -1.67 -0.78 0.63 -1.26 -4.86 116.66 111.35 1r9j n ARG 384 Ca 0.18 -3.86 -0.47 0.00 -0.92 0.00 0.00 57.85 52.78 1r9j n ARG 384 Cb 0.54 -1.74 -0.04 0.00 0.45 0.00 0.00 32.46 31.67 1r9j n ARG 384 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1r9j n PRO 385 N 1.41 2.25 -0.26 -0.14 -0.04 -1.26 -4.87 135.00 132.09 1r9j n PRO 385 Ca 0.25 0.81 0.06 0.00 -0.04 0.00 0.00 63.50 64.58 1r9j n PRO 385 Cb 0.46 -2.73 0.19 0.00 -0.04 0.00 0.00 33.50 31.39 1r9j n PRO 385 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9j h ALA 386 N 9.86 1.04 -0.10 0.55 0.00 -1.98 -0.31 119.26 128.31 1r9j h ALA 386 Ca -0.48 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1r9j h ALA 386 Cb 1.27 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1r9j h ALA 386 CO 0.95 -0.27 0.15 0.66 0.00 0.00 0.00 179.25 180.74 1r9j h SER 387 N 0.37 0.00 0.87 0.00 4.64 -1.97 0.02 113.55 117.48 1r9j h SER 387 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1r9j h SER 387 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1r9j h SER 387 CO -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.51 1r9j h ALA 388 N 1.79 1.00 -6.22 5.18 0.00 -1.34 -3.47 119.26 116.20 1r9j h ALA 388 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.51 1r9j h ALA 388 Cb 0.35 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1r9j h ALA 388 CO -0.00 0.00 -0.86 0.09 0.00 0.00 0.00 179.25 178.48 1r9j n ASN 389 N -2.31 -1.40 -4.81 0.00 3.02 -0.01 -4.93 115.26 104.83 1r9j n ASN 389 Ca 0.03 -0.90 -0.32 0.00 -0.03 0.00 0.00 54.58 53.35 1r9j n ASN 389 Cb 0.27 -3.68 0.02 0.00 -0.61 0.00 0.00 39.78 35.78 1r9j n ASN 389 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r9j s LEU 390 N -6.72 3.39 -0.07 3.41 1.43 -1.26 -5.07 118.68 113.79 1r9j s LEU 390 Ca 0.06 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1r9j s LEU 390 Cb -0.02 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1r9j s LEU 390 CO 0.84 -1.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.34 1r9j s VAL 391 N -2.66 1.63 0.31 -1.59 1.01 -1.26 -5.04 120.40 112.81 1r9j s VAL 391 Ca 0.61 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1r9j s VAL 391 Cb -0.15 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 1r9j s VAL 391 CO 0.42 0.46 1.22 -1.81 0.00 0.00 0.00 175.10 175.40 1r9j s ASP 392 N 0.30 6.97 0.10 3.32 1.01 -1.26 -1.16 116.67 125.95 1r9j s ASP 392 Ca -0.12 2.52 -0.30 0.00 0.71 0.00 0.00 52.55 55.36 1r9j s ASP 392 Cb -0.15 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 1r9j s ASP 392 CO 0.05 -0.38 1.19 0.12 0.21 0.00 0.00 175.17 176.36 1r9j s PHE 393 N -1.15 3.45 0.26 4.23 5.36 0.11 -4.37 117.98 125.87 1r9j s PHE 393 Ca 0.47 1.35 -0.21 0.00 -0.96 0.00 0.00 56.93 57.58 1r9j s PHE 393 Cb -0.37 -3.41 0.03 0.00 -0.34 0.00 0.00 43.02 38.93 1r9j s PHE 393 CO 0.48 -1.21 0.69 -1.54 -1.46 0.00 0.00 175.22 172.18 1r9j s SER 394 N 0.74 -0.30 0.65 6.13 1.04 -1.17 -4.71 113.70 116.07 1r9j s SER 394 Ca 0.57 -0.53 0.41 0.00 0.48 0.00 0.00 55.95 56.87 1r9j s SER 394 Cb -0.30 0.70 2.25 0.00 0.10 0.00 0.00 66.02 68.77 1r9j s SER 394 CO 0.31 -1.28 2.33 0.77 0.98 0.00 0.00 173.24 176.36 1r9j h SER 395 N 2.02 0.00 -0.27 7.02 4.64 -1.86 -0.50 113.55 124.60 1r9j h SER 395 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1r9j h SER 395 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1r9j h SER 395 CO 0.26 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.68 1r9j n SER 396 N -3.27 3.08 -2.82 4.97 3.41 -1.26 -4.59 113.62 113.14 1r9j n SER 396 Ca -0.03 -1.90 -0.11 0.00 -0.26 0.00 0.00 58.87 56.57 1r9j n SER 396 Cb 0.08 -0.17 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1r9j n SER 396 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1r9j n SER 397 N 1.21 -1.84 0.22 4.04 3.41 -0.24 -4.99 113.62 115.42 1r9j n SER 397 Ca 0.15 -3.52 0.14 0.00 -0.26 0.00 0.00 58.87 55.39 1r9j n SER 397 Cb 0.53 1.44 0.76 0.00 -0.26 0.00 0.00 64.21 66.68 1r9j n SER 397 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1r9j h LYS 398 N 3.16 0.00 -0.00 4.33 1.57 -1.68 -0.11 116.57 123.84 1r9j h LYS 398 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1r9j h LYS 398 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1r9j h LYS 398 CO 0.23 0.00 -0.08 -0.85 -0.57 0.00 0.00 179.45 178.17 1r9j n GLU 399 N -2.49 0.69 -1.99 3.15 0.00 -1.26 -4.06 120.64 114.68 1r9j n GLU 399 Ca -0.02 -0.20 -0.36 0.00 0.00 0.00 0.00 57.16 56.58 1r9j n GLU 399 Cb 0.07 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.05 1r9j n GLU 399 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1r9j s GLY 400 N -2.44 2.77 0.00 -1.84 0.00 -0.06 -4.95 107.32 100.79 1r9j s GLY 400 Ca 0.30 1.05 0.11 0.00 0.00 0.00 0.00 44.72 46.18 1r9j s GLY 400 CO 0.46 1.45 0.90 0.54 0.00 0.00 0.00 173.10 176.46 1r9j n ARG 401 N -1.52 0.83 -4.12 2.90 1.74 -0.31 -4.22 116.66 111.95 1r9j n ARG 401 Ca 0.13 -1.27 -0.34 0.00 -0.77 0.00 0.00 57.85 55.60 1r9j n ARG 401 Cb 0.49 -1.22 -0.14 0.00 -1.02 0.00 0.00 32.46 30.57 1r9j n ARG 401 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r9j s TYR 402 N -0.95 2.94 -0.22 -1.55 5.04 -1.10 -2.32 117.35 119.19 1r9j s TYR 402 Ca 0.14 -0.81 -0.09 0.00 -2.44 0.00 0.00 57.07 53.87 1r9j s TYR 402 Cb 0.10 -2.04 -0.05 0.00 0.35 0.00 0.00 41.96 40.32 1r9j s TYR 402 CO 0.14 -0.43 0.13 0.42 -1.34 0.00 0.00 175.55 174.47 1r9j s ILE 403 N 1.14 5.13 -0.81 3.14 1.01 0.72 0.03 121.20 131.57 1r9j s ILE 403 Ca 0.02 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 1r9j s ILE 403 Cb -0.14 -3.37 0.14 0.00 0.01 0.00 0.00 42.46 39.09 1r9j s ILE 403 CO -0.01 0.38 0.95 -0.13 0.00 0.00 0.00 174.94 176.13 1r9j s ARG 404 N 0.88 3.44 0.42 2.79 1.81 -1.26 -3.09 118.95 123.94 1r9j s ARG 404 Ca 0.06 -1.72 0.29 0.00 -1.72 0.00 0.00 55.73 52.64 1r9j s ARG 404 Cb -0.13 -4.61 1.09 0.00 -0.45 0.00 0.00 34.95 30.85 1r9j s ARG 404 CO 0.03 -1.63 1.84 0.74 -0.68 0.00 0.00 175.30 175.60 1r9j h PHE 405 N 8.76 0.00 -0.57 -0.53 -1.00 -1.87 -3.49 116.94 118.25 1r9j h PHE 405 Ca 0.01 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.84 1r9j h PHE 405 Cb 1.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1r9j h PHE 405 CO 1.05 0.00 -0.07 0.41 -1.61 0.00 0.00 178.31 178.09 1r9j n GLY 406 N 0.25 -2.07 2.69 -1.45 0.00 -1.26 -4.10 105.19 99.25 1r9j n GLY 406 Ca 0.02 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1r9j n GLY 406 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r9j n VAL 407 N -1.20 3.42 -3.24 1.61 0.31 -1.26 -3.19 118.33 114.78 1r9j n VAL 407 Ca 0.00 -2.76 -0.25 0.00 -0.01 0.00 0.00 64.34 61.33 1r9j n VAL 407 Cb 0.09 -2.57 -0.07 0.00 -0.91 0.00 0.00 33.84 30.37 1r9j n VAL 407 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1r9j n ARG 408 N 5.70 1.11 -0.07 5.55 1.74 -1.26 -4.99 116.66 124.45 1r9j n ARG 408 Ca 0.56 -3.54 -0.07 0.00 -0.77 0.00 0.00 57.85 54.03 1r9j n ARG 408 Cb 0.36 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1r9j n ARG 408 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1r9j h GLU 409 N 4.05 0.13 0.09 5.56 3.07 -1.91 0.05 114.58 125.62 1r9j h GLU 409 Ca 0.10 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1r9j h GLU 409 Cb 0.83 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1r9j h GLU 409 CO 0.54 0.09 -0.04 1.25 -1.40 0.00 0.00 179.01 179.45 1r9j h HIS 410 N 0.14 -0.11 -0.68 4.33 2.76 -1.90 -1.51 115.15 118.17 1r9j h HIS 410 Ca 0.13 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1r9j h HIS 410 Cb 0.14 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1r9j h HIS 410 CO -0.17 0.02 0.31 0.00 -1.30 0.00 0.00 177.93 176.79 1r9j h ALA 411 N 0.70 1.26 -0.01 5.26 0.00 -1.78 -1.92 119.26 122.77 1r9j h ALA 411 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r9j h ALA 411 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1r9j h ALA 411 CO 0.02 0.56 -0.04 1.98 0.00 0.00 0.00 179.25 181.77 1r9j h MET 412 N 0.97 -0.06 -0.37 0.00 -1.53 -0.69 0.11 114.93 113.36 1r9j h MET 412 Ca 0.24 0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.44 1r9j h MET 412 Cb 0.13 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 1r9j h MET 412 CO -0.03 -0.04 -0.03 0.00 0.14 0.00 0.00 176.91 176.95 1r9j h ALA 414 N 1.41 0.74 -0.38 0.00 0.00 -1.08 -2.85 119.26 117.10 1r9j h ALA 414 Ca 0.12 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1r9j h ALA 414 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1r9j h ALA 414 CO 0.02 0.73 -0.20 0.82 0.00 0.00 0.00 179.25 180.62 1r9j h ILE 415 N 0.26 1.27 -0.82 0.00 2.04 -0.35 -2.35 117.51 117.55 1r9j h ILE 415 Ca -0.01 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1r9j h ILE 415 Cb 1.16 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1r9j h ILE 415 CO 0.10 0.43 0.54 -0.07 0.00 0.00 0.00 178.15 179.15 1r9j h LEU 416 N 0.64 0.89 -0.61 1.44 3.38 -0.95 0.17 115.31 120.27 1r9j h LEU 416 Ca 0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1r9j h LEU 416 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1r9j h LEU 416 CO 0.05 0.62 0.08 0.78 0.09 0.00 0.00 178.44 180.06 1r9j h ASN 417 N 1.04 0.99 -0.55 -0.43 2.35 -1.23 -1.39 115.58 116.34 1r9j h ASN 417 Ca 0.32 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1r9j h ASN 417 Cb -0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1r9j h ASN 417 CO -0.09 1.01 0.21 1.23 -1.65 0.00 0.00 177.43 178.14 1r9j h GLY 418 N 0.93 0.90 0.95 2.83 0.00 -0.65 0.36 103.07 108.38 1r9j h GLY 418 Ca 0.18 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.04 1r9j h GLY 418 CO 0.02 0.47 0.54 1.41 0.00 0.00 0.00 176.54 178.98 1r9j h LEU 419 N 0.76 0.92 -0.40 3.11 3.38 -0.45 -2.38 115.31 120.25 1r9j h LEU 419 Ca 0.18 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1r9j h LEU 419 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r9j h LEU 419 CO -0.01 0.65 -0.35 -0.78 0.09 0.00 0.00 178.44 178.04 1r9j h ASP 420 N 1.09 1.00 0.21 -0.43 3.58 -0.90 -3.07 116.42 117.89 1r9j h ASP 420 Ca 0.32 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 1r9j h ASP 420 Cb -0.07 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.70 1r9j h ASP 420 CO -0.09 1.24 -0.05 0.00 -2.88 0.00 0.00 179.24 177.46 1r9j h ALA 421 N 0.79 1.31 -0.15 -0.78 0.00 -0.52 -3.16 119.26 116.75 1r9j h ALA 421 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1r9j h ALA 421 Cb 0.94 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1r9j h ALA 421 CO 0.09 0.06 -0.23 1.25 0.00 0.00 0.00 179.25 180.42 1r9j h HIS 422 N 0.00 0.52 0.00 0.00 -0.00 -1.34 -3.50 115.15 110.83 1r9j h HIS 422 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 1r9j h HIS 422 Cb 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1r9j h HIS 422 CO 0.00 0.85 0.00 -0.25 -0.00 0.00 0.00 177.93 178.53 1r9j n ASP 423 N -4.46 0.00 0.00 3.26 8.00 -1.20 -5.01 116.55 117.15 1r9j n ASP 423 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1r9j n ASP 423 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1r9j n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r9j n GLY 424 N 1.83 0.69 3.08 0.44 0.00 -1.14 -4.86 105.19 105.23 1r9j n GLY 424 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1r9j n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9j s ILE 425 N -2.59 0.92 -0.40 -0.61 -1.09 -1.26 -4.77 121.20 111.40 1r9j s ILE 425 Ca 0.00 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 1r9j s ILE 425 Cb 0.00 -0.80 0.11 0.00 -1.58 0.00 0.00 42.46 40.20 1r9j s ILE 425 CO 0.00 0.17 0.12 -0.63 -1.23 0.00 0.00 174.94 173.38 1r9j s ILE 426 N -0.43 2.29 0.11 2.92 1.01 -0.77 -4.65 121.20 121.67 1r9j s ILE 426 Ca 0.03 -2.63 -0.21 0.00 0.00 0.00 0.00 60.65 57.85 1r9j s ILE 426 Cb -0.05 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 1r9j s ILE 426 CO -0.00 -0.68 0.63 -2.16 0.00 0.00 0.00 174.94 172.74 1r9j s PRO 427 N 0.53 4.30 0.02 2.79 0.04 -1.25 -1.25 135.00 140.18 1r9j s PRO 427 Ca 0.13 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1r9j s PRO 427 Cb -0.21 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1r9j s PRO 427 CO -0.06 0.60 0.04 -0.59 0.04 0.00 0.00 177.00 177.03 1r9j s PHE 428 N -1.15 0.19 -0.02 0.56 -0.12 -0.83 -1.67 117.98 114.94 1r9j s PHE 428 Ca 0.32 -0.42 -0.02 0.00 -0.05 0.00 0.00 56.93 56.76 1r9j s PHE 428 Cb -0.20 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 1r9j s PHE 428 CO 0.21 -0.25 0.06 0.20 -0.05 0.00 0.00 175.22 175.39 1r9j s GLY 429 N -1.57 -0.01 0.19 1.99 0.00 -0.00 -2.64 107.32 105.27 1r9j s GLY 429 Ca -0.13 0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.76 1r9j s GLY 429 CO -0.01 0.04 -0.12 -0.32 0.00 0.00 0.00 173.10 172.69 1r9j s GLY 430 N -0.19 1.73 -0.00 0.20 0.00 0.56 -1.01 107.32 108.60 1r9j s GLY 430 Ca -0.02 -1.52 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 1r9j s GLY 430 CO 0.00 -1.54 1.27 -1.08 0.00 0.00 0.00 173.10 171.75 1r9j s THR 431 N -1.72 0.00 0.23 0.90 -1.32 -0.99 -1.09 115.64 111.65 1r9j s THR 431 Ca 0.24 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 1r9j s THR 431 Cb -0.08 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 1r9j s THR 431 CO 0.14 0.00 1.16 -0.36 -2.21 0.00 0.00 174.62 173.35 1r9j s PHE 432 N -2.26 3.48 0.29 9.09 0.08 -1.26 -2.02 117.98 125.39 1r9j s PHE 432 Ca 0.20 1.54 0.04 0.00 0.12 0.00 0.00 56.93 58.84 1r9j s PHE 432 Cb 0.02 -3.37 0.76 0.00 -0.57 0.00 0.00 43.02 39.86 1r9j s PHE 432 CO -0.02 -0.94 1.68 1.25 -0.10 0.00 0.00 175.22 177.09 1r9j h LEU 433 N 4.61 0.28 -2.66 -0.37 5.85 -0.80 0.47 115.31 122.69 1r9j h LEU 433 Ca -0.46 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1r9j h LEU 433 Cb 1.21 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1r9j h LEU 433 CO 0.71 -0.05 0.02 -1.13 -0.34 0.00 0.00 178.44 177.65 1r9j h ASN 434 N 0.35 0.00 -0.39 1.25 -1.24 -1.82 -1.52 115.58 112.20 1r9j h ASN 434 Ca 0.57 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.58 1r9j h ASN 434 Cb 1.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1r9j h ASN 434 CO -0.56 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.07 1r9j n PHE 435 N -3.52 0.51 0.24 0.67 3.72 0.15 -3.38 117.46 115.86 1r9j n PHE 435 Ca -0.03 -0.25 0.12 0.00 -0.05 0.00 0.00 57.45 57.24 1r9j n PHE 435 Cb 0.10 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.19 1r9j n PHE 435 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1r9j h ILE 436 N 3.60 0.40 -0.03 4.37 1.08 -1.30 -1.30 117.51 124.33 1r9j h ILE 436 Ca 0.00 -0.88 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1r9j h ILE 436 Cb 0.80 1.65 -0.00 0.00 -3.07 0.00 0.00 36.82 36.20 1r9j h ILE 436 CO 0.00 0.15 0.03 1.23 -0.69 0.00 0.00 178.15 178.87 1r9j h GLY 437 N 1.92 0.00 2.00 5.37 0.00 -1.72 0.29 103.07 110.93 1r9j h GLY 437 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r9j h GLY 437 CO 0.02 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.59 1r9j h TYR 438 N 0.00 0.00 0.00 5.60 -1.99 -1.48 -3.27 116.97 115.83 1r9j h TYR 438 Ca 0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1r9j h TYR 438 Cb 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1r9j h TYR 438 CO 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 178.16 177.99 1r9j n ALA 439 N -1.89 2.54 0.31 3.88 0.00 0.99 -4.31 120.51 122.04 1r9j n ALA 439 Ca 0.02 -2.64 0.19 0.00 0.00 0.00 0.00 53.44 51.01 1r9j n ALA 439 Cb 0.29 -0.39 1.04 0.00 0.00 0.00 0.00 19.45 20.39 1r9j n ALA 439 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r9j h LEU 440 N 0.24 0.00 -0.97 0.00 3.38 -1.54 -1.56 115.31 114.85 1r9j h LEU 440 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1r9j h LEU 440 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1r9j h LEU 440 CO 0.00 0.02 0.07 1.23 0.09 0.00 0.00 178.44 179.85 1r9j h GLY 441 N 0.34 0.88 1.13 0.83 0.00 -1.89 -1.57 103.07 102.80 1r9j h GLY 441 Ca -0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 47.33 46.46 1r9j h GLY 441 CO 0.00 0.51 -1.60 0.00 0.00 0.00 0.00 176.54 175.45 1r9j h ALA 442 N 1.30 0.18 -0.59 3.60 0.00 -1.64 -3.30 119.26 118.82 1r9j h ALA 442 Ca 0.16 -1.09 0.02 0.00 0.00 0.00 0.00 54.91 54.00 1r9j h ALA 442 Cb 0.36 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1r9j h ALA 442 CO 0.01 1.05 0.37 0.28 0.00 0.00 0.00 179.25 180.95 1r9j h VAL 443 N 0.09 1.09 -0.99 0.00 2.07 -1.26 -1.90 116.25 115.35 1r9j h VAL 443 Ca -0.28 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1r9j h VAL 443 Cb 2.06 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1r9j h VAL 443 CO 0.18 0.13 0.64 -0.09 0.02 0.00 0.00 177.57 178.46 1r9j h ARG 444 N 0.73 1.16 -0.05 1.57 2.43 -1.41 -1.74 114.38 117.07 1r9j h ARG 444 Ca 0.23 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1r9j h ARG 444 Cb -0.01 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1r9j h ARG 444 CO -0.09 0.76 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.56 1r9j h LEU 445 N 1.19 0.14 -0.90 3.80 3.38 -1.50 -0.21 115.31 121.22 1r9j h LEU 445 Ca 0.42 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1r9j h LEU 445 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1r9j h LEU 445 CO -0.16 0.63 0.02 0.00 0.09 0.00 0.00 178.44 179.03 1r9j h ALA 446 N 1.37 1.09 -0.22 1.53 0.00 -0.56 0.36 119.26 122.83 1r9j h ALA 446 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1r9j h ALA 446 Cb 0.94 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r9j h ALA 446 CO 0.07 0.58 -0.37 0.00 0.00 0.00 0.00 179.25 179.53 1r9j h ALA 447 N 1.24 0.33 -0.44 0.00 0.00 -1.01 -0.25 119.26 119.14 1r9j h ALA 447 Ca 0.15 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1r9j h ALA 447 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r9j h ALA 447 CO 0.02 0.41 -0.27 0.82 0.00 0.00 0.00 179.25 180.23 1r9j h ILE 448 N 0.32 1.27 -0.01 0.00 2.04 -0.69 -3.14 117.51 117.30 1r9j h ILE 448 Ca 0.01 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1r9j h ILE 448 Cb 0.97 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1r9j h ILE 448 CO 0.08 0.49 -0.08 -1.20 0.00 0.00 0.00 178.15 177.44 1r9j n SER 449 N -4.09 1.08 -3.24 1.72 7.64 0.12 -4.96 113.62 111.90 1r9j n SER 449 Ca -0.01 -1.16 -0.17 0.00 1.01 0.00 0.00 58.87 58.54 1r9j n SER 449 Cb 0.48 0.02 0.08 0.00 -1.01 0.00 0.00 64.21 63.79 1r9j n SER 449 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1r9j n HIS 450 N -0.31 -2.18 -3.13 1.43 8.25 -0.55 -4.98 115.22 113.75 1r9j n HIS 450 Ca 0.17 0.87 -0.37 0.00 -0.26 0.00 0.00 57.72 58.14 1r9j n HIS 450 Cb 0.32 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 26.60 1r9j n HIS 450 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1r9j s HIS 451 N -3.32 3.70 -0.73 4.41 3.76 -0.22 -4.45 115.29 118.44 1r9j s HIS 451 Ca 0.16 1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 56.27 1r9j s HIS 451 Cb -0.07 -2.60 0.16 0.00 1.11 0.00 0.00 32.58 31.18 1r9j s HIS 451 CO 0.66 0.40 0.77 0.50 -0.85 0.00 0.00 174.74 176.22 1r9j s ARG 452 N -1.75 3.35 0.04 1.40 3.52 -1.26 -2.05 118.95 122.20 1r9j s ARG 452 Ca 0.40 -1.91 0.05 0.00 -0.13 0.00 0.00 55.73 54.14 1r9j s ARG 452 Cb -0.18 -4.45 -0.02 0.00 -1.56 0.00 0.00 34.95 28.74 1r9j s ARG 452 CO 0.21 -1.45 -0.15 0.14 -0.81 0.00 0.00 175.30 173.24 1r9j s VAL 453 N 1.52 1.20 -0.11 7.11 -7.23 -1.26 -4.53 120.40 117.10 1r9j s VAL 453 Ca 0.16 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1r9j s VAL 453 Cb -0.16 -1.09 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1r9j s VAL 453 CO -0.03 0.01 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.92 1r9j s ILE 454 N -0.89 2.20 -0.30 -0.62 1.01 -0.67 -1.53 121.20 120.40 1r9j s ILE 454 Ca 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1r9j s ILE 454 Cb -0.08 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1r9j s ILE 454 CO 0.01 0.55 0.08 -0.31 0.00 0.00 0.00 174.94 175.28 1r9j s TYR 455 N 0.42 3.16 -0.82 3.97 1.51 0.11 -0.82 117.35 124.88 1r9j s TYR 455 Ca -0.16 -1.08 -0.20 0.00 -1.01 0.00 0.00 57.07 54.62 1r9j s TYR 455 Cb -0.17 -2.25 0.11 0.00 -0.11 0.00 0.00 41.96 39.53 1r9j s TYR 455 CO 0.07 -0.61 1.05 0.08 -1.11 0.00 0.00 175.55 175.03 1r9j s VAL 456 N 1.48 4.57 -0.60 0.71 1.01 -0.18 0.17 120.40 127.56 1r9j s VAL 456 Ca 0.02 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1r9j s VAL 456 Cb -0.18 -4.74 0.15 0.00 0.00 0.00 0.00 36.38 31.62 1r9j s VAL 456 CO 0.02 -1.48 0.53 0.00 0.00 0.00 0.00 175.10 174.17 1r9j s ALA 457 N 3.24 3.69 0.87 5.51 0.00 0.21 -2.34 121.76 132.95 1r9j s ALA 457 Ca 0.28 -2.76 -0.08 0.00 0.00 0.00 0.00 51.96 49.40 1r9j s ALA 457 Cb -0.10 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 20.00 1r9j s ALA 457 CO -0.02 -2.06 1.15 0.25 0.00 0.00 0.00 175.76 175.09 1r9j n THR 458 N 4.79 0.00 -3.65 0.00 -2.24 -0.86 -0.17 114.28 112.15 1r9j n THR 458 Ca -0.05 -1.25 -0.26 0.00 -2.27 0.00 0.00 64.05 60.22 1r9j n THR 458 Cb 0.42 -1.22 0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1r9j n THR 458 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r9j n HIS 459 N -3.34 -1.96 1.53 4.78 8.25 -0.41 -0.27 115.22 123.80 1r9j n HIS 459 Ca 0.16 0.65 0.13 0.00 -0.26 0.00 0.00 57.72 58.41 1r9j n HIS 459 Cb 0.58 -3.84 0.75 0.00 1.12 0.00 0.00 29.99 28.59 1r9j n HIS 459 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1r9j n ASP 460 N -2.90 0.00 -0.45 0.41 5.75 -0.49 -4.17 116.55 114.70 1r9j n ASP 460 Ca -0.17 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1r9j n ASP 460 Cb 0.63 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1r9j n ASP 460 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1r9j n SER 461 N -1.09 0.00 0.20 -1.12 3.41 -1.26 -4.50 113.62 109.25 1r9j n SER 461 Ca 0.18 -0.45 0.13 0.00 -0.26 0.00 0.00 58.87 58.47 1r9j n SER 461 Cb 0.13 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.79 1r9j n SER 461 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1r9j h ILE 462 N 0.45 0.00 0.00 -1.33 3.07 -1.84 0.36 117.51 118.22 1r9j h ILE 462 Ca 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.39 1r9j h ILE 462 Cb 0.00 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 37.17 1r9j h ILE 462 CO 0.00 0.00 0.20 1.23 -1.05 0.00 0.00 178.15 178.53 1r9j h GLY 463 N 0.14 0.00 0.79 0.16 0.00 -1.93 0.18 103.07 102.40 1r9j h GLY 463 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1r9j h GLY 463 CO 0.00 0.00 0.47 -2.08 0.00 0.00 0.00 176.54 174.93 1r9j h VAL 464 N 0.00 1.06 0.00 4.60 2.07 -1.26 -3.39 116.25 119.33 1r9j h VAL 464 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1r9j h VAL 464 Cb 0.41 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1r9j h VAL 464 CO 0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1r9j n GLY 465 N -1.31 1.55 0.40 2.17 0.00 0.62 -4.52 105.19 104.09 1r9j n GLY 465 Ca 0.10 -0.78 0.22 0.00 0.00 0.00 0.00 46.02 45.55 1r9j n GLY 465 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r9j h GLU 466 N 0.00 0.02 0.00 1.61 3.07 -1.74 -2.73 114.58 114.81 1r9j h GLU 466 Ca 0.00 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1r9j h GLU 466 Cb 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1r9j h GLU 466 CO 0.00 0.02 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.18 1r9j h ASP 467 N 0.02 0.00 -4.46 1.42 3.32 -1.88 -3.40 116.42 111.44 1r9j h ASP 467 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1r9j h ASP 467 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1r9j h ASP 467 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1r9j n GLY 468 N -1.12 -3.12 0.40 2.75 0.00 -1.03 -4.52 105.19 98.54 1r9j n GLY 468 Ca -0.03 -1.80 0.19 0.00 0.00 0.00 0.00 46.02 44.39 1r9j n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9j h PRO 469 N 0.00 0.45 0.00 1.61 0.13 -1.79 -0.57 132.00 131.83 1r9j h PRO 469 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1r9j h PRO 469 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1r9j h PRO 469 CO 0.00 0.30 0.00 0.25 -0.23 0.00 0.00 178.00 178.32 1r9j n THR 470 N -4.58 0.81 0.19 1.56 -2.24 -1.26 -2.77 114.28 105.99 1r9j n THR 470 Ca 0.22 0.20 0.02 0.00 -2.27 0.00 0.00 64.05 62.22 1r9j n THR 470 Cb 0.74 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1r9j n THR 470 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r9j n HIS 471 N -1.56 0.00 -3.77 4.78 8.25 -0.25 -4.98 115.22 117.69 1r9j n HIS 471 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 1r9j n HIS 471 Cb 0.21 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.19 1r9j n HIS 471 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1r9j s GLN 472 N -0.48 2.96 0.32 -0.41 -0.21 -1.01 -4.71 119.66 116.13 1r9j s GLN 472 Ca 0.05 -0.94 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 1r9j s GLN 472 Cb 0.04 -3.37 -0.09 0.00 1.00 0.00 0.00 33.01 30.58 1r9j s GLN 472 CO 0.07 -0.49 1.13 -2.14 -2.12 0.00 0.00 175.29 171.73 1r9j s PRO 473 N 1.47 4.46 0.00 2.91 0.02 -1.26 -4.73 135.00 137.87 1r9j s PRO 473 Ca 0.01 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1r9j s PRO 473 Cb -0.18 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1r9j s PRO 473 CO 0.02 0.04 0.00 1.33 -0.33 0.00 0.00 177.00 178.06 1r9j n VAL 474 N 0.83 0.00 -0.20 3.83 0.24 -1.26 -4.49 118.33 117.28 1r9j n VAL 474 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1r9j n VAL 474 Cb 0.45 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1r9j n VAL 474 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1r9j n GLU 475 N 0.00 1.73 0.02 7.34 0.00 -1.26 -0.45 120.64 128.01 1r9j n GLU 475 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 57.16 56.88 1r9j n GLU 475 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 31.44 30.88 1r9j n GLU 475 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1r9j h LEU 476 N 0.00 0.64 -0.97 -1.84 5.85 -1.97 -3.06 115.31 113.96 1r9j h LEU 476 Ca 0.00 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 1r9j h LEU 476 Cb 0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1r9j h LEU 476 CO 0.00 1.13 0.06 0.58 -0.34 0.00 0.00 178.44 179.87 1r9j h VAL 477 N 0.40 1.23 -0.67 1.05 2.07 -1.96 -1.20 116.25 117.17 1r9j h VAL 477 Ca -0.02 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1r9j h VAL 477 Cb 1.25 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1r9j h VAL 477 CO 0.12 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.41 1r9j h ALA 478 N 1.30 0.86 -0.24 1.67 0.00 -1.89 -0.44 119.26 120.52 1r9j h ALA 478 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r9j h ALA 478 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r9j h ALA 478 CO 0.01 0.39 0.13 0.00 0.00 0.00 0.00 179.25 179.78 1r9j h ALA 479 N 1.18 0.31 -0.11 0.00 0.00 -1.33 -1.97 119.26 117.34 1r9j h ALA 479 Ca 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1r9j h ALA 479 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r9j h ALA 479 CO -0.04 -0.15 -0.17 -0.07 0.00 0.00 0.00 179.25 178.82 1r9j h LEU 480 N 0.28 0.17 -1.05 0.00 3.38 -0.93 -2.11 115.31 115.05 1r9j h LEU 480 Ca 0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1r9j h LEU 480 Cb 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1r9j h LEU 480 CO -0.01 0.36 -0.27 0.03 0.09 0.00 0.00 178.44 178.64 1r9j h ARG 481 N 0.17 0.00 0.00 1.13 3.08 -0.65 -2.69 114.38 115.42 1r9j h ARG 481 Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1r9j h ARG 481 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1r9j h ARG 481 CO 0.03 0.27 -0.23 0.00 -1.07 0.00 0.00 179.97 178.97 1r9j h ALA 482 N 1.73 0.86 -2.31 0.04 0.00 -0.67 -3.45 119.26 115.47 1r9j h ALA 482 Ca -0.00 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.16 1r9j h ALA 482 Cb 0.79 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1r9j h ALA 482 CO 0.03 0.28 0.99 1.41 0.00 0.00 0.00 179.25 181.97 1r9j s MET 483 N -3.15 4.21 0.56 0.00 -2.45 -1.01 -4.99 119.30 112.47 1r9j s MET 483 Ca 0.05 2.11 -0.21 0.00 -1.25 0.00 0.00 55.69 56.39 1r9j s MET 483 Cb 0.07 -3.80 -0.04 0.00 1.25 0.00 0.00 34.83 32.30 1r9j s MET 483 CO 0.70 -0.75 1.29 -2.14 1.05 0.00 0.00 175.02 175.17 1r9j s PRO 484 N 3.36 3.07 -1.33 4.11 0.02 -1.26 -3.63 135.00 139.33 1r9j s PRO 484 Ca 0.69 2.07 -0.08 0.00 0.02 0.00 0.00 61.00 63.70 1r9j s PRO 484 Cb -0.33 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1r9j s PRO 484 CO 0.28 -1.20 0.52 -1.71 -0.33 0.00 0.00 177.00 174.56 1r9j n ASN 485 N -1.24 -1.82 -3.74 2.53 5.15 -1.26 -4.79 115.26 110.09 1r9j n ASN 485 Ca 0.12 -1.04 -0.14 0.00 -0.60 0.00 0.00 54.58 52.92 1r9j n ASN 485 Cb 0.47 -3.00 -0.14 0.00 -0.53 0.00 0.00 39.78 36.58 1r9j n ASN 485 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1r9j s LEU 486 N -6.89 0.58 -0.18 1.20 2.96 -1.24 -4.28 118.68 110.84 1r9j s LEU 486 Ca 0.16 0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 54.27 1r9j s LEU 486 Cb -0.06 0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.98 1r9j s LEU 486 CO 0.89 -0.16 0.26 -1.10 -1.32 0.00 0.00 176.35 174.91 1r9j s GLN 487 N 1.32 4.23 -0.32 1.98 -0.21 -0.49 -4.90 119.66 121.28 1r9j s GLN 487 Ca -0.08 0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.35 1r9j s GLN 487 Cb -0.12 -3.44 0.09 0.00 1.00 0.00 0.00 33.01 30.55 1r9j s GLN 487 CO -0.06 0.23 0.01 0.08 -2.12 0.00 0.00 175.29 173.43 1r9j s VAL 488 N 0.52 2.17 -0.18 1.09 1.01 -1.26 0.15 120.40 123.90 1r9j s VAL 488 Ca 0.14 -2.10 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 1r9j s VAL 488 Cb -0.13 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1r9j s VAL 488 CO 0.03 -0.45 0.02 -0.63 0.00 0.00 0.00 175.10 174.06 1r9j s ILE 489 N 0.99 4.30 -0.62 2.22 1.01 -0.13 -4.37 121.20 124.60 1r9j s ILE 489 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1r9j s ILE 489 Cb -0.19 -2.93 0.16 0.00 0.01 0.00 0.00 42.46 39.50 1r9j s ILE 489 CO -0.08 0.45 0.41 -0.60 0.00 0.00 0.00 174.94 175.12 1r9j s ARG 490 N 0.61 2.15 0.64 2.79 3.52 0.54 -0.55 118.95 128.66 1r9j s ARG 490 Ca 0.01 -3.00 -0.17 0.00 -0.13 0.00 0.00 55.73 52.44 1r9j s ARG 490 Cb -0.14 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1r9j s ARG 490 CO 0.02 -1.24 1.21 -1.25 -0.81 0.00 0.00 175.30 173.22 1r9j s PRO 491 N -0.95 2.67 -0.04 5.12 0.04 -1.26 -1.57 135.00 139.01 1r9j s PRO 491 Ca 0.23 1.79 0.19 0.00 0.04 0.00 0.00 61.00 63.26 1r9j s PRO 491 Cb -0.10 -1.89 -0.23 0.00 0.04 0.00 0.00 34.50 32.31 1r9j s PRO 491 CO -0.12 -1.43 0.48 -1.13 0.04 0.00 0.00 177.00 174.84 1r9j n SER 492 N -2.03 0.29 -0.82 6.66 3.41 -1.26 -4.02 113.62 115.86 1r9j n SER 492 Ca 0.13 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1r9j n SER 492 Cb 0.50 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1r9j n SER 492 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1r9j n ASP 493 N -2.61 0.00 -0.06 4.04 5.68 -1.26 -4.68 116.55 117.66 1r9j n ASP 493 Ca -0.14 -0.82 -0.09 0.00 -0.50 0.00 0.00 54.79 53.24 1r9j n ASP 493 Cb 0.83 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.79 1r9j n ASP 493 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1r9j h GLN 494 N 0.00 0.25 -0.25 0.11 5.75 -1.92 0.12 115.11 119.16 1r9j h GLN 494 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1r9j h GLN 494 Cb 0.00 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1r9j h GLN 494 CO 0.00 0.16 0.15 1.15 -2.65 0.00 0.00 178.83 177.65 1r9j h THR 495 N 0.25 1.08 0.00 2.39 2.02 -1.84 -0.43 112.91 116.38 1r9j h THR 495 Ca 0.10 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1r9j h THR 495 Cb 0.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1r9j h THR 495 CO -0.06 0.08 -0.43 -0.33 0.37 0.00 0.00 175.52 175.15 1r9j h GLU 496 N 0.32 0.00 -0.50 6.66 5.08 -1.82 -1.89 114.58 122.43 1r9j h GLU 496 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1r9j h GLU 496 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1r9j h GLU 496 CO -0.02 0.43 -0.18 1.15 -1.00 0.00 0.00 179.01 179.39 1r9j h THR 497 N 0.00 1.27 -0.46 1.13 2.02 -0.26 0.15 112.91 116.75 1r9j h THR 497 Ca -0.00 -1.34 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 1r9j h THR 497 Cb 0.77 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1r9j h THR 497 CO 0.06 0.47 -0.10 0.28 0.37 0.00 0.00 175.52 176.59 1r9j h SER 498 N 0.87 0.83 -0.81 4.18 0.02 -0.87 -1.71 113.55 116.06 1r9j h SER 498 Ca 0.12 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1r9j h SER 498 Cb 0.75 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1r9j h SER 498 CO 0.06 0.95 0.45 1.23 -1.14 0.00 0.00 176.83 178.38 1r9j h GLY 499 N 0.97 1.20 0.97 -3.77 0.00 -0.76 -0.12 103.07 101.57 1r9j h GLY 499 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1r9j h GLY 499 CO 0.04 0.52 0.23 0.00 0.00 0.00 0.00 176.54 177.33 1r9j h ALA 500 N 1.24 0.62 -0.34 3.60 0.00 -0.21 -0.47 119.26 123.68 1r9j h ALA 500 Ca 0.28 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1r9j h ALA 500 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1r9j h ALA 500 CO -0.05 0.18 -0.14 -1.49 0.00 0.00 0.00 179.25 177.76 1r9j h TRP 501 N 0.63 0.66 -0.50 0.00 4.06 -0.98 0.98 115.95 120.80 1r9j h TRP 501 Ca 0.16 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 1r9j h TRP 501 Cb 0.12 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 1r9j h TRP 501 CO -0.01 0.72 0.18 0.00 -3.56 0.00 0.00 178.44 175.77 1r9j h ALA 502 N 1.30 0.65 -0.18 1.49 0.00 -0.56 0.40 119.26 122.36 1r9j h ALA 502 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1r9j h ALA 502 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1r9j h ALA 502 CO 0.04 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.80 1r9j h VAL 503 N 0.67 1.29 -0.53 0.00 2.07 -0.76 -2.41 116.25 116.58 1r9j h VAL 503 Ca 0.16 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1r9j h VAL 503 Cb 0.23 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1r9j h VAL 503 CO -0.01 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.18 1r9j h ALA 504 N 0.73 0.68 0.00 1.67 0.00 -0.64 -2.14 119.26 119.56 1r9j h ALA 504 Ca 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1r9j h ALA 504 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1r9j h ALA 504 CO 0.02 -0.03 -0.38 -0.07 0.00 0.00 0.00 179.25 178.79 1r9j h LEU 505 N 0.57 0.00 -1.57 0.00 3.38 -0.89 -3.07 115.31 113.73 1r9j h LEU 505 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1r9j h LEU 505 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1r9j h LEU 505 CO -0.13 0.38 0.00 -1.54 0.09 0.00 0.00 178.44 177.24 1r9j n SER 506 N -3.92 2.41 -4.46 -0.43 3.41 -0.91 -4.67 113.62 105.04 1r9j n SER 506 Ca -0.02 -1.80 -0.44 0.00 -0.26 0.00 0.00 58.87 56.36 1r9j n SER 506 Cb 0.44 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1r9j n SER 506 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1r9j s SER 507 N -1.89 6.84 0.54 4.04 0.01 -0.84 -4.86 113.70 117.54 1r9j s SER 507 Ca 0.33 -2.48 0.23 0.00 1.31 0.00 0.00 55.95 55.34 1r9j s SER 507 Cb 0.20 -2.41 1.49 0.00 0.21 0.00 0.00 66.02 65.51 1r9j s SER 507 CO 0.31 -0.93 2.16 0.16 0.41 0.00 0.00 173.24 175.35 1r9j h ILE 508 N 5.31 0.76 0.00 1.44 3.07 -1.87 -3.09 117.51 123.14 1r9j h ILE 508 Ca 0.24 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.48 1r9j h ILE 508 Cb 0.95 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1r9j h ILE 508 CO 1.19 0.04 -0.02 1.41 -1.05 0.00 0.00 178.15 179.73 1r9j n HIS 509 N -4.09 0.00 -3.92 0.16 8.25 -1.26 -4.13 115.22 110.23 1r9j n HIS 509 Ca -0.03 -0.76 -0.19 0.00 -0.26 0.00 0.00 57.72 56.48 1r9j n HIS 509 Cb 0.13 -0.11 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 1r9j n HIS 509 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1r9j s THR 510 N -2.02 0.27 0.58 1.59 2.01 -1.17 -4.28 115.64 112.63 1r9j s THR 510 Ca 0.18 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1r9j s THR 510 Cb 0.16 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1r9j s THR 510 CO 0.02 0.19 1.08 -2.16 -0.69 0.00 0.00 174.62 173.06 1r9j s PRO 511 N 1.30 3.27 -0.03 4.92 0.04 -0.87 -4.53 135.00 139.10 1r9j s PRO 511 Ca -0.06 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1r9j s PRO 511 Cb -0.13 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1r9j s PRO 511 CO -0.02 -0.87 -0.03 0.99 0.04 0.00 0.00 177.00 177.11 1r9j s THR 512 N -2.20 0.36 -0.24 1.26 2.01 -0.58 -1.39 115.64 114.84 1r9j s THR 512 Ca 0.67 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 1r9j s THR 512 Cb -0.19 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1r9j s THR 512 CO 0.33 0.16 0.11 -0.69 -0.69 0.00 0.00 174.62 173.84 1r9j s VAL 513 N 0.67 4.73 -0.43 3.82 1.01 0.12 -0.71 120.40 129.60 1r9j s VAL 513 Ca -0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1r9j s VAL 513 Cb -0.11 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1r9j s VAL 513 CO -0.01 0.34 0.35 -0.76 0.00 0.00 0.00 175.10 175.02 1r9j s LEU 514 N 1.40 5.23 -0.49 3.92 1.43 0.13 -0.96 118.68 129.34 1r9j s LEU 514 Ca 0.06 -1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 1r9j s LEU 514 Cb -0.15 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1r9j s LEU 514 CO 0.05 -0.53 0.86 0.00 0.23 0.00 0.00 176.35 176.96 1r9j s LEU 516 N 3.57 3.05 0.40 0.00 1.43 0.76 -4.16 118.68 123.72 1r9j s LEU 516 Ca 0.31 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1r9j s LEU 516 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1r9j s LEU 516 CO 0.22 0.22 0.66 -0.94 0.23 0.00 0.00 176.35 176.73 1r9j s SER 517 N -1.90 6.32 -0.11 2.29 1.04 -1.26 -1.29 113.70 118.79 1r9j s SER 517 Ca 0.20 0.72 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 1r9j s SER 517 Cb -0.11 -2.15 -0.25 0.00 0.10 0.00 0.00 66.02 63.61 1r9j s SER 517 CO 0.11 -0.40 0.42 -1.14 0.98 0.00 0.00 173.24 173.21 1r9j n ARG 518 N -1.83 0.73 -3.12 4.02 0.63 -1.26 -2.71 116.66 113.12 1r9j n ARG 518 Ca -0.02 0.26 -0.29 0.00 -0.92 0.00 0.00 57.85 56.89 1r9j n ARG 518 Cb 0.55 -1.72 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 1r9j n ARG 518 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1r9j s GLN 519 N -2.57 3.67 0.60 -0.14 0.00 -1.26 -4.75 119.66 115.21 1r9j s GLN 519 Ca -0.18 0.16 -0.19 0.00 -0.00 0.00 0.00 55.36 55.15 1r9j s GLN 519 Cb 0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 33.01 30.51 1r9j s GLN 519 CO 0.78 0.09 1.29 -0.80 0.00 0.00 0.00 175.29 176.65 1r9j s ASN 520 N -3.27 4.99 0.11 12.60 0.01 -1.26 -4.21 114.94 123.90 1r9j s ASN 520 Ca 0.47 2.60 0.07 0.00 -0.71 0.00 0.00 52.86 55.29 1r9j s ASN 520 Cb -0.10 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1r9j s ASN 520 CO 0.32 -1.75 -0.17 0.42 -1.51 0.00 0.00 177.10 174.41 1r9j s THR 521 N -1.41 1.51 -0.13 1.60 -4.23 -0.52 -4.85 115.64 107.61 1r9j s THR 521 Ca 0.78 -1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 59.48 1r9j s THR 521 Cb -0.37 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1r9j s THR 521 CO 0.40 -0.21 0.65 -1.61 -0.54 0.00 0.00 174.62 173.31 1r9j s GLU 522 N -2.17 4.33 0.42 3.99 0.41 -1.26 -3.36 118.70 121.05 1r9j s GLU 522 Ca 0.06 0.72 -0.26 0.00 -0.41 0.00 0.00 54.97 55.08 1r9j s GLU 522 Cb -0.08 -3.50 -0.09 0.00 -1.78 0.00 0.00 34.13 28.68 1r9j s GLU 522 CO 0.04 -0.06 1.37 -1.25 -0.49 0.00 0.00 175.26 174.87 1r9j s PRO 523 N 1.27 3.90 -0.13 0.39 0.04 -1.26 -4.81 135.00 134.40 1r9j s PRO 523 Ca 0.32 2.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.62 1r9j s PRO 523 Cb -0.16 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1r9j s PRO 523 CO 0.13 -0.60 0.01 -0.65 0.04 0.00 0.00 177.00 175.94 1r9j s GLN 524 N -2.28 3.43 0.49 4.56 -1.52 -1.26 -4.99 119.66 118.09 1r9j s GLN 524 Ca 0.58 -0.40 0.26 0.00 -1.95 0.00 0.00 55.36 53.85 1r9j s GLN 524 Cb -0.41 -2.95 1.25 0.00 -0.22 0.00 0.00 33.01 30.68 1r9j s GLN 524 CO 0.53 0.49 1.97 0.66 -0.25 0.00 0.00 175.29 178.69 1r9j h SER 525 N 5.91 0.00 0.22 5.90 4.64 -1.95 -2.80 113.55 125.48 1r9j h SER 525 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1r9j h SER 525 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1r9j h SER 525 CO 0.61 0.16 -0.09 0.61 -0.87 0.00 0.00 176.83 177.25 1r9j n GLY 526 N -0.32 -0.73 3.77 -0.77 0.00 -1.26 -4.92 105.19 100.96 1r9j n GLY 526 Ca -0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1r9j n GLY 526 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r9j s SER 527 N -2.31 5.50 -0.02 1.61 0.01 -1.06 -4.71 113.70 112.72 1r9j s SER 527 Ca 0.33 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.49 1r9j s SER 527 Cb 0.20 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1r9j s SER 527 CO 0.44 -1.37 0.76 -0.94 0.41 0.00 0.00 173.24 172.53 1r9j s SER 528 N -1.88 -0.54 0.12 2.44 1.04 -1.26 -4.97 113.70 108.66 1r9j s SER 528 Ca 0.73 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.39 1r9j s SER 528 Cb -0.25 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1r9j s SER 528 CO 0.31 -0.64 1.51 0.40 0.98 0.00 0.00 173.24 175.80 1r9j h ILE 529 N 2.53 1.28 -0.95 -1.02 2.04 -1.95 -2.57 117.51 116.87 1r9j h ILE 529 Ca -0.26 -1.22 0.13 0.00 1.00 0.00 0.00 64.86 64.51 1r9j h ILE 529 Cb 1.20 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 38.49 1r9j h ILE 529 CO 0.36 0.40 0.57 -0.08 0.00 0.00 0.00 178.15 179.41 1r9j h GLU 530 N 0.53 0.85 -0.24 2.37 4.81 -1.97 -0.74 114.58 120.20 1r9j h GLU 530 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1r9j h GLU 530 Cb 0.65 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1r9j h GLU 530 CO 0.04 0.56 0.10 0.78 -0.73 0.00 0.00 179.01 179.77 1r9j h GLY 531 N 0.87 0.38 0.81 1.92 0.00 -1.90 -2.73 103.07 102.43 1r9j h GLY 531 Ca 0.49 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.68 1r9j h GLY 531 CO -0.29 0.19 0.64 -2.08 0.00 0.00 0.00 176.54 174.99 1r9j h VAL 532 N 0.24 1.11 0.00 4.60 2.07 -0.86 -0.15 116.25 123.26 1r9j h VAL 532 Ca 0.08 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1r9j h VAL 532 Cb 0.16 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1r9j h VAL 532 CO -0.01 0.21 -0.02 0.03 0.02 0.00 0.00 177.57 177.80 1r9j h ARG 533 N 1.17 0.00 -0.01 1.57 3.08 -0.88 -0.19 114.38 119.12 1r9j h ARG 533 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1r9j h ARG 533 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1r9j h ARG 533 CO -0.15 0.02 -0.16 0.72 -1.07 0.00 0.00 179.97 179.33 1r9j n HIS 534 N -3.64 0.00 0.00 3.04 8.25 -0.09 -4.90 115.22 117.88 1r9j n HIS 534 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1r9j n HIS 534 Cb 0.11 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1r9j n HIS 534 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r9j n GLY 535 N 1.28 1.77 3.09 -1.41 0.00 -0.09 -3.19 105.19 106.65 1r9j n GLY 535 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1r9j n GLY 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 536 N -0.05 -0.41 0.02 4.61 0.00 -1.26 -2.04 121.76 122.63 1r9j s ALA 536 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 1r9j s ALA 536 Cb 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.14 1r9j s ALA 536 CO 0.00 -0.16 0.85 1.52 0.00 0.00 0.00 175.76 177.98 1r9j s TYR 537 N -0.71 -0.36 0.04 0.00 1.13 -0.50 -4.98 117.35 111.98 1r9j s TYR 537 Ca -0.08 0.21 -0.30 0.00 -1.41 0.00 0.00 57.07 55.49 1r9j s TYR 537 Cb -0.05 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1r9j s TYR 537 CO 0.01 -0.60 1.07 -1.12 -2.51 0.00 0.00 175.55 172.41 1r9j s SER 538 N -2.53 7.26 -0.01 -0.18 0.01 -1.26 -0.73 113.70 116.25 1r9j s SER 538 Ca 0.05 1.84 0.14 0.00 1.31 0.00 0.00 55.95 59.29 1r9j s SER 538 Cb -0.01 -2.58 -0.20 0.00 0.21 0.00 0.00 66.02 63.45 1r9j s SER 538 CO -0.09 -0.33 0.42 1.33 0.41 0.00 0.00 173.24 174.98 1r9j n VAL 539 N 3.73 0.00 -3.56 3.43 0.24 -0.29 -4.86 118.33 117.02 1r9j n VAL 539 Ca 0.07 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 61.91 1r9j n VAL 539 Cb 0.49 0.48 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 1r9j n VAL 539 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1r9j s VAL 540 N -2.75 -0.30 0.25 3.34 1.01 -1.11 -4.33 120.40 116.51 1r9j s VAL 540 Ca -0.01 0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.10 1r9j s VAL 540 Cb 0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1r9j s VAL 540 CO 0.59 -0.11 -0.21 -0.62 0.00 0.00 0.00 175.10 174.75 1r9j s ASP 541 N 2.31 3.56 -0.05 3.32 -1.08 -1.26 -0.12 116.67 123.35 1r9j s ASP 541 Ca 0.05 -0.96 -0.18 0.00 -0.52 0.00 0.00 52.55 50.95 1r9j s ASP 541 Cb -0.15 -0.30 0.04 0.00 -1.46 0.00 0.00 42.92 41.05 1r9j s ASP 541 CO -0.10 0.07 0.40 -0.69 0.52 0.00 0.00 175.17 175.37 1r9j s VAL 542 N -2.18 0.03 0.69 1.11 1.01 -1.26 -4.98 120.40 114.82 1r9j s VAL 542 Ca 0.27 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1r9j s VAL 542 Cb -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1r9j s VAL 542 CO 0.13 -0.16 1.07 -2.16 0.00 0.00 0.00 175.10 173.99 1r9j s PRO 543 N -0.97 2.83 -1.41 2.72 0.04 -1.26 -3.97 135.00 132.98 1r9j s PRO 543 Ca -0.10 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 1r9j s PRO 543 Cb -0.04 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1r9j s PRO 543 CO 0.04 -1.19 0.30 -0.25 0.04 0.00 0.00 177.00 175.94 1r9j n ASP 544 N -2.91 -1.09 -4.68 6.66 8.00 -1.26 -4.84 116.55 116.43 1r9j n ASP 544 Ca 0.08 -1.24 -0.39 0.00 0.71 0.00 0.00 54.79 53.95 1r9j n ASP 544 Cb 0.53 -1.88 0.04 0.00 -0.02 0.00 0.00 41.12 39.79 1r9j n ASP 544 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9j n LEU 545 N -4.70 4.36 -0.02 0.64 -0.00 -1.25 -4.85 117.00 111.18 1r9j n LEU 545 Ca -0.25 0.94 0.03 0.00 -0.00 0.00 0.00 56.01 56.73 1r9j n LEU 545 Cb 0.65 -1.47 -0.04 0.00 -0.00 0.00 0.00 43.42 42.56 1r9j n LEU 545 CO 0.80 -1.16 0.00 0.00 -0.00 0.00 0.00 177.39 177.03 1r9j n GLN 546 N -0.77 4.45 -3.57 1.47 6.02 0.11 -4.99 117.38 120.11 1r9j n GLN 546 Ca 0.11 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1r9j n GLN 546 Cb 0.44 -0.85 -0.06 0.00 1.02 0.00 0.00 30.24 30.79 1r9j n GLN 546 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1r9j s LEU 547 N -2.25 -0.67 -0.08 1.08 2.96 -1.18 -4.45 118.68 114.09 1r9j s LEU 547 Ca 0.03 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1r9j s LEU 547 Cb 0.05 2.46 0.01 0.00 0.50 0.00 0.00 46.19 49.21 1r9j s LEU 547 CO 0.28 -0.45 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.99 1r9j s VAL 548 N -0.57 1.52 -0.25 1.68 1.01 -0.77 -1.18 120.40 121.84 1r9j s VAL 548 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1r9j s VAL 548 Cb -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1r9j s VAL 548 CO 0.06 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.89 1r9j s ILE 549 N 0.46 2.76 -0.12 2.22 1.01 0.17 -1.16 121.20 126.54 1r9j s ILE 549 Ca -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 60.65 59.39 1r9j s ILE 549 Cb -0.16 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1r9j s ILE 549 CO 0.05 0.20 0.00 0.54 0.00 0.00 0.00 174.94 175.73 1r9j s VAL 550 N 1.30 4.29 0.28 2.92 0.11 0.11 -0.28 120.40 129.14 1r9j s VAL 550 Ca -0.00 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 1r9j s VAL 550 Cb -0.17 -2.84 -0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1r9j s VAL 550 CO -0.05 0.56 0.46 0.00 -3.33 0.00 0.00 175.10 172.73 1r9j s ALA 551 N -0.41 0.26 0.12 1.54 0.00 -0.41 -0.85 121.76 122.01 1r9j s ALA 551 Ca 0.08 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1r9j s ALA 551 Cb -0.12 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 1r9j s ALA 551 CO 0.02 -0.81 0.16 -1.54 0.00 0.00 0.00 175.76 173.59 1r9j s SER 552 N -3.12 0.19 0.71 0.00 1.04 -1.24 -0.57 113.70 110.72 1r9j s SER 552 Ca 0.27 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1r9j s SER 552 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1r9j s SER 552 CO 0.14 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1r9j n GLY 553 N -0.10 2.76 0.00 7.32 0.00 -0.61 -1.44 105.19 113.12 1r9j n GLY 553 Ca -0.10 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1r9j n GLY 553 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r9j n SER 554 N 1.87 0.00 -0.30 1.61 3.41 -1.26 -2.68 113.62 116.27 1r9j n SER 554 Ca 0.00 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1r9j n SER 554 Cb 0.00 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 63.77 1r9j n SER 554 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9j n GLU 555 N -1.30 0.81 -0.20 4.33 4.71 -0.52 -4.24 120.64 124.23 1r9j n GLU 555 Ca 0.06 -0.61 -0.04 0.00 -0.01 0.00 0.00 57.16 56.56 1r9j n GLU 555 Cb 0.10 -1.49 0.15 0.00 -1.01 0.00 0.00 31.44 29.19 1r9j n GLU 555 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1r9j h VAL 556 N 1.48 1.24 -0.55 2.62 2.07 -1.54 -2.18 116.25 119.38 1r9j h VAL 556 Ca 0.00 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1r9j h VAL 556 Cb 0.62 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1r9j h VAL 556 CO 0.00 0.31 0.26 0.77 0.02 0.00 0.00 177.57 178.93 1r9j h SER 557 N 0.97 0.70 -0.40 0.57 4.64 -1.81 -0.50 113.55 117.71 1r9j h SER 557 Ca 0.22 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1r9j h SER 557 Cb 0.22 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1r9j h SER 557 CO -0.02 0.60 0.17 -0.07 -0.87 0.00 0.00 176.83 176.64 1r9j h LEU 558 N 0.78 0.55 -0.76 5.97 4.07 -1.65 -0.68 115.31 123.58 1r9j h LEU 558 Ca 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1r9j h LEU 558 Cb 0.09 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 1r9j h LEU 558 CO -0.02 0.57 0.39 0.00 -1.08 0.00 0.00 178.44 178.29 1r9j h ALA 559 N 1.01 0.98 -0.23 1.53 0.00 -0.96 0.19 119.26 121.79 1r9j h ALA 559 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1r9j h ALA 559 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1r9j h ALA 559 CO -0.01 0.52 0.04 0.28 0.00 0.00 0.00 179.25 180.07 1r9j h VAL 560 N 1.06 1.23 -0.64 0.00 2.07 -0.84 -0.28 116.25 118.86 1r9j h VAL 560 Ca 0.27 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1r9j h VAL 560 Cb 0.08 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1r9j h VAL 560 CO -0.04 0.24 0.15 0.44 0.02 0.00 0.00 177.57 178.38 1r9j h ASP 561 N 0.19 0.95 -0.74 0.57 5.19 -0.93 -1.71 116.42 119.94 1r9j h ASP 561 Ca 0.07 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 1r9j h ASP 561 Cb 0.33 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 1r9j h ASP 561 CO 0.00 0.93 0.32 0.00 -3.12 0.00 0.00 179.24 177.38 1r9j h ALA 562 N 1.19 0.95 -0.88 3.45 0.00 -0.40 -1.44 119.26 122.13 1r9j h ALA 562 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r9j h ALA 562 Cb 0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1r9j h ALA 562 CO 0.00 0.55 0.47 0.00 0.00 0.00 0.00 179.25 180.27 1r9j h ALA 563 N 1.16 1.13 -0.01 0.00 0.00 -0.55 -1.83 119.26 119.16 1r9j h ALA 563 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r9j h ALA 563 Cb 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1r9j h ALA 563 CO -0.03 0.65 0.00 0.87 0.00 0.00 0.00 179.25 180.75 1r9j h LYS 564 N 1.24 0.01 -0.14 0.00 1.57 -0.87 -1.75 116.57 116.63 1r9j h LYS 564 Ca 0.31 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1r9j h LYS 564 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1r9j h LYS 564 CO -0.05 0.21 0.18 0.00 -0.57 0.00 0.00 179.45 179.22 1r9j h ALA 565 N 0.80 1.71 -0.01 3.86 0.00 -0.98 0.26 119.26 124.90 1r9j h ALA 565 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r9j h ALA 565 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1r9j h ALA 565 CO -0.00 -0.25 -0.34 1.28 0.00 0.00 0.00 179.25 179.94 1r9j n LEU 566 N -3.73 1.84 -0.38 0.00 4.77 -0.71 -4.63 117.00 114.16 1r9j n LEU 566 Ca 0.01 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 1r9j n LEU 566 Cb 0.29 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1r9j n LEU 566 CO 0.26 0.33 0.47 -1.20 -1.33 0.00 0.00 177.39 175.93 1r9j n SER 567 N -0.03 -0.89 0.18 -1.43 7.64 0.08 -0.97 113.62 118.20 1r9j n SER 567 Ca 0.11 1.65 0.10 0.00 1.01 0.00 0.00 58.87 61.74 1r9j n SER 567 Cb 0.44 -0.25 0.63 0.00 -1.01 0.00 0.00 64.21 64.02 1r9j n SER 567 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1r9j h GLY 568 N 0.00 0.06 0.00 0.23 0.00 -1.82 -3.33 103.07 98.20 1r9j h GLY 568 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1r9j h GLY 568 CO -0.89 0.02 -0.66 1.18 0.00 0.00 0.00 176.54 176.19 1r9j n GLU 569 N -4.50 0.47 -4.37 4.80 1.02 -0.15 -5.01 120.64 112.91 1r9j n GLU 569 Ca 0.00 0.51 -0.29 0.00 -0.02 0.00 0.00 57.16 57.37 1r9j n GLU 569 Cb 0.21 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 29.82 1r9j n GLU 569 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1r9j s LEU 570 N -8.15 2.45 -0.55 -4.62 1.43 -0.28 -5.08 118.68 103.87 1r9j s LEU 570 Ca -0.18 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.00 1r9j s LEU 570 Cb 0.03 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1r9j s LEU 570 CO 0.28 0.17 0.86 -0.13 0.23 0.00 0.00 176.35 177.76 1r9j s ARG 571 N -2.13 3.25 -0.12 1.70 0.52 -1.26 -4.22 118.95 116.68 1r9j s ARG 571 Ca 0.16 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1r9j s ARG 571 Cb -0.10 -4.09 -0.03 0.00 0.52 0.00 0.00 34.95 31.25 1r9j s ARG 571 CO 0.08 -1.46 0.00 0.08 0.02 0.00 0.00 175.30 174.02 1r9j s VAL 572 N 3.60 4.30 -0.11 3.52 1.01 -1.26 -0.71 120.40 130.74 1r9j s VAL 572 Ca 0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1r9j s VAL 572 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1r9j s VAL 572 CO 0.16 0.55 0.04 -0.60 0.00 0.00 0.00 175.10 175.25 1r9j s ARG 573 N -0.32 3.26 -0.19 2.72 3.52 -0.32 -4.47 118.95 123.14 1r9j s ARG 573 Ca 0.07 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1r9j s ARG 573 Cb -0.12 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1r9j s ARG 573 CO 0.02 0.64 -0.06 0.08 -0.81 0.00 0.00 175.30 175.17 1r9j s VAL 574 N -0.70 3.38 -0.20 7.11 1.01 0.83 -0.66 120.40 131.18 1r9j s VAL 574 Ca 0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1r9j s VAL 574 Cb -0.12 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1r9j s VAL 574 CO 0.02 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 1r9j s VAL 575 N 1.00 3.45 -0.15 2.92 1.01 0.62 -1.13 120.40 128.12 1r9j s VAL 575 Ca -0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1r9j s VAL 575 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1r9j s VAL 575 CO -0.00 0.44 0.51 -0.55 0.00 0.00 0.00 175.10 175.50 1r9j s SER 576 N 1.19 6.66 -0.64 3.32 0.15 0.09 -1.29 113.70 123.18 1r9j s SER 576 Ca 0.02 0.79 0.05 0.00 0.70 0.00 0.00 55.95 57.51 1r9j s SER 576 Cb -0.14 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.05 1r9j s SER 576 CO -0.01 -0.08 0.52 0.80 1.20 0.00 0.00 173.24 175.67 1r9j n MET 577 N 4.12 1.67 0.20 5.44 1.56 0.26 -1.41 117.12 128.95 1r9j n MET 577 Ca -0.06 -4.28 0.04 0.00 -0.27 0.00 0.00 57.70 53.13 1r9j n MET 577 Cb 0.51 -2.15 0.40 0.00 2.15 0.00 0.00 33.22 34.13 1r9j n MET 577 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1r9j h PRO 578 N 5.16 0.00 -2.40 2.12 0.13 -1.67 -3.42 132.00 131.92 1r9j h PRO 578 Ca 0.17 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.94 1r9j h PRO 578 Cb 0.76 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.54 1r9j h PRO 578 CO 0.68 0.33 -0.66 0.00 -0.23 0.00 0.00 178.00 178.11 1r9j h GLN 580 N 8.31 0.19 -0.71 0.00 4.20 -1.79 -2.61 115.11 122.70 1r9j h GLN 580 Ca -0.16 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1r9j h GLN 580 Cb 1.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1r9j h GLN 580 CO 0.34 0.25 0.20 0.93 -0.67 0.00 0.00 178.83 179.88 1r9j h GLU 581 N 0.19 1.11 -0.21 1.46 3.07 -1.90 -1.32 114.58 116.98 1r9j h GLU 581 Ca 0.04 -0.25 -0.16 0.00 -0.50 0.00 0.00 59.36 58.49 1r9j h GLU 581 Cb 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1r9j h GLU 581 CO 0.01 0.97 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.98 1r9j h LEU 582 N 1.05 0.69 -0.01 1.33 3.38 -1.81 -2.98 115.31 116.96 1r9j h LEU 582 Ca 0.22 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1r9j h LEU 582 Cb 0.34 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1r9j h LEU 582 CO -0.00 1.09 0.00 0.15 0.09 0.00 0.00 178.44 179.77 1r9j h PHE 583 N 0.48 0.01 -0.08 1.13 3.57 -1.24 -2.63 116.94 118.18 1r9j h PHE 583 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1r9j h PHE 583 Cb 1.09 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1r9j h PHE 583 CO 0.05 0.17 0.10 -0.44 -2.23 0.00 0.00 178.31 175.96 1r9j h ASP 584 N -0.15 0.00 0.57 0.41 3.32 -1.26 -0.61 116.42 118.70 1r9j h ASP 584 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r9j h ASP 584 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1r9j h ASP 584 CO -0.00 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.39 1r9j n ALA 585 N -2.30 2.73 -1.79 3.45 0.00 -1.00 -4.87 120.51 116.74 1r9j n ALA 585 Ca -0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1r9j n ALA 585 Cb 0.20 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1r9j n ALA 585 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r9j s GLN 586 N -2.69 3.80 0.85 0.00 -1.52 -0.24 -5.02 119.66 114.83 1r9j s GLN 586 Ca 0.23 1.10 -0.12 0.00 -1.95 0.00 0.00 55.36 54.62 1r9j s GLN 586 Cb 0.19 -2.11 0.11 0.00 -0.22 0.00 0.00 33.01 30.98 1r9j s GLN 586 CO 0.52 -0.41 1.17 -1.25 -0.25 0.00 0.00 175.29 175.07 1r9j s PRO 587 N -3.84 1.44 0.26 2.91 0.04 -1.26 -4.76 135.00 129.79 1r9j s PRO 587 Ca 0.62 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1r9j s PRO 587 Cb -0.12 -1.77 0.52 0.00 0.04 0.00 0.00 34.50 33.17 1r9j s PRO 587 CO 0.29 -2.33 1.78 -0.44 0.04 0.00 0.00 177.00 176.34 1r9j h ASP 588 N -1.31 0.63 -0.83 6.66 5.19 -1.96 -1.86 116.42 122.94 1r9j h ASP 588 Ca -0.45 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1r9j h ASP 588 Cb 1.28 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 1r9j h ASP 588 CO 0.45 0.30 0.51 0.71 -3.12 0.00 0.00 179.24 178.08 1r9j h THR 589 N 0.72 1.23 -0.31 0.35 1.35 -1.99 0.58 112.91 114.84 1r9j h THR 589 Ca 0.46 -0.49 -0.14 0.00 -0.55 0.00 0.00 66.41 65.70 1r9j h THR 589 Cb 0.58 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1r9j h THR 589 CO -0.32 0.24 -0.34 0.22 -0.25 0.00 0.00 175.52 175.06 1r9j h TYR 590 N 1.14 0.93 -0.52 4.73 3.20 -1.70 -1.85 116.97 122.91 1r9j h TYR 590 Ca 0.30 -0.29 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1r9j h TYR 590 Cb -0.06 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1r9j h TYR 590 CO 0.00 1.07 -0.02 0.00 -1.64 0.00 0.00 178.16 177.57 1r9j h ARG 591 N 0.53 0.89 -0.26 1.82 3.08 -1.03 -2.21 114.38 117.21 1r9j h ARG 591 Ca 0.04 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 1r9j h ARG 591 Cb 0.92 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1r9j h ARG 591 CO 0.08 0.90 -0.21 0.37 -1.07 0.00 0.00 179.97 180.04 1r9j h GLN 592 N 0.82 0.47 0.00 0.04 -0.00 -0.86 0.21 115.11 115.80 1r9j h GLN 592 Ca 0.15 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1r9j h GLN 592 Cb 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.95 1r9j h GLN 592 CO 0.03 0.66 -0.18 0.00 0.00 0.00 0.00 178.83 179.34 1r9j h ALA 593 N 1.36 1.03 0.02 3.38 0.00 -0.79 -2.58 119.26 121.68 1r9j h ALA 593 Ca 0.07 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 1r9j h ALA 593 Cb 0.60 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1r9j h ALA 593 CO 0.04 0.22 -1.96 0.28 0.00 0.00 0.00 179.25 177.83 1r9j n VAL 594 N -3.35 1.56 -3.78 0.00 0.31 -0.88 -4.69 118.33 107.50 1r9j n VAL 594 Ca 0.00 -0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 63.75 1r9j n VAL 594 Cb 0.40 -1.87 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 1r9j n VAL 594 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1r9j n LEU 595 N -4.10 3.07 -4.71 7.52 4.77 0.02 -5.00 117.00 118.57 1r9j n LEU 595 Ca -0.42 -5.24 -0.43 0.00 -0.03 0.00 0.00 56.01 49.90 1r9j n LEU 595 Cb 0.84 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1r9j n LEU 595 CO 0.17 1.83 1.36 -0.81 -1.33 0.00 0.00 177.39 178.61 1r9j n PRO 596 N 1.73 2.72 -1.75 3.23 -0.04 -0.97 -4.59 135.00 135.33 1r9j n PRO 596 Ca 0.22 0.98 -0.41 0.00 -0.04 0.00 0.00 63.50 64.26 1r9j n PRO 596 Cb 0.37 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 31.01 1r9j n PRO 596 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9j n ALA 597 N 3.93 1.97 0.00 0.55 0.00 -1.26 -2.44 120.51 123.26 1r9j n ALA 597 Ca 0.16 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1r9j n ALA 597 Cb 0.34 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1r9j n ALA 597 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9j n GLY 598 N 0.59 3.27 3.70 0.00 0.00 -1.25 -4.97 105.19 106.53 1r9j n GLY 598 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1r9j n GLY 598 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9j s VAL 599 N -2.22 5.14 0.40 1.61 1.01 -1.02 -0.74 120.40 124.58 1r9j s VAL 599 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 1r9j s VAL 599 Cb 0.00 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1r9j s VAL 599 CO 0.00 0.25 1.38 -2.16 0.00 0.00 0.00 175.10 174.57 1r9j s PRO 600 N 1.08 4.00 -0.06 2.72 0.04 -1.26 -4.85 135.00 136.67 1r9j s PRO 600 Ca 0.26 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.67 1r9j s PRO 600 Cb -0.15 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1r9j s PRO 600 CO 0.10 -0.53 -0.16 0.08 0.04 0.00 0.00 177.00 176.53 1r9j s VAL 601 N -1.19 1.41 -0.14 -0.36 1.01 -1.26 -1.85 120.40 118.03 1r9j s VAL 601 Ca 0.55 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1r9j s VAL 601 Cb -0.42 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1r9j s VAL 601 CO 0.55 0.41 -0.15 -0.69 0.00 0.00 0.00 175.10 175.22 1r9j s VAL 602 N 0.26 2.82 -0.02 2.92 1.01 -0.31 -0.29 120.40 126.80 1r9j s VAL 602 Ca -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1r9j s VAL 602 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1r9j s VAL 602 CO 0.03 0.52 0.01 -0.94 0.00 0.00 0.00 175.10 174.73 1r9j s SER 603 N 0.51 5.19 -0.12 3.32 1.04 -0.36 -0.71 113.70 122.57 1r9j s SER 603 Ca -0.10 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1r9j s SER 603 Cb -0.16 -1.39 0.02 0.00 0.10 0.00 0.00 66.02 64.59 1r9j s SER 603 CO 0.04 0.30 -0.10 -0.69 0.98 0.00 0.00 173.24 173.77 1r9j s VAL 604 N -1.06 1.19 -0.28 5.02 1.01 -0.03 -0.69 120.40 125.55 1r9j s VAL 604 Ca 0.19 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1r9j s VAL 604 Cb -0.12 -1.17 0.11 0.00 0.00 0.00 0.00 36.38 35.21 1r9j s VAL 604 CO 0.09 0.39 0.83 -0.70 0.00 0.00 0.00 175.10 175.72 1r9j s GLU 605 N 1.56 0.57 0.00 2.72 2.12 -0.84 -3.65 118.70 121.18 1r9j s GLU 605 Ca 0.03 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.29 1r9j s GLU 605 Cb -0.13 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 1r9j s GLU 605 CO -0.08 -0.11 1.54 0.00 -0.54 0.00 0.00 175.26 176.07 1r9j n ALA 606 N 3.81 3.34 -2.41 6.30 0.00 -1.26 -3.93 120.51 126.36 1r9j n ALA 606 Ca -0.18 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 1r9j n ALA 606 Cb 0.58 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 1r9j n ALA 606 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1r9j s TYR 607 N 1.16 1.72 0.93 0.00 4.12 -1.26 -4.53 117.35 119.49 1r9j s TYR 607 Ca 0.13 -1.26 -0.11 0.00 0.02 0.00 0.00 57.07 55.84 1r9j s TYR 607 Cb 0.06 -1.03 0.15 0.00 -1.52 0.00 0.00 41.96 39.62 1r9j s TYR 607 CO 0.00 -0.35 1.09 0.14 0.02 0.00 0.00 175.55 176.46 1r9j s VAL 608 N -3.43 2.50 -0.76 0.71 -7.23 0.40 -0.89 120.40 111.70 1r9j s VAL 608 Ca 0.32 0.16 0.26 0.00 -1.81 0.00 0.00 61.98 60.92 1r9j s VAL 608 Cb 0.05 -2.46 0.25 0.00 0.56 0.00 0.00 36.38 34.77 1r9j s VAL 608 CO 0.16 -0.21 1.74 -1.54 -0.31 0.00 0.00 175.10 174.93 1r9j n SER 609 N -4.10 0.69 -4.69 4.85 3.41 -1.26 -4.84 113.62 107.68 1r9j n SER 609 Ca 0.08 0.50 -0.57 0.00 -0.26 0.00 0.00 58.87 58.61 1r9j n SER 609 Cb 0.54 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1r9j n SER 609 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1r9j n PHE 610 N -2.13 2.03 0.00 7.33 7.35 -1.26 -1.08 117.46 129.70 1r9j n PHE 610 Ca 0.05 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.27 1r9j n PHE 610 Cb 0.42 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1r9j n PHE 610 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r9j n GLY 611 N 4.40 3.42 0.19 7.13 0.00 -1.26 -4.87 105.19 114.20 1r9j n GLY 611 Ca 0.28 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.44 1r9j n GLY 611 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r9j h TRP 612 N 0.00 0.00 0.00 1.61 4.06 -1.45 -3.20 115.95 116.96 1r9j h TRP 612 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1r9j h TRP 612 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1r9j h TRP 612 CO 0.00 0.00 0.03 0.93 -3.56 0.00 0.00 178.44 175.84 1r9j h GLU 613 N 0.00 0.00 0.00 0.49 4.39 -1.78 0.96 114.58 118.64 1r9j h GLU 613 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r9j h GLU 613 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1r9j h GLU 613 CO 0.00 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 178.21 1r9j n LYS 614 N -2.66 0.02 0.00 2.33 2.85 -1.21 -4.29 118.16 115.19 1r9j n LYS 614 Ca -0.02 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1r9j n LYS 614 Cb 0.09 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1r9j n LYS 614 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1r9j n TYR 615 N -1.57 0.00 -3.99 5.58 4.01 0.19 -4.77 117.16 116.61 1r9j n TYR 615 Ca 0.06 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1r9j n TYR 615 Cb 0.29 0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1r9j n TYR 615 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1r9j s SER 616 N -4.51 4.97 -0.00 7.72 1.04 -0.39 -4.80 113.70 117.73 1r9j s SER 616 Ca 0.00 -0.62 0.21 0.00 0.48 0.00 0.00 55.95 56.02 1r9j s SER 616 Cb 0.00 -0.88 -0.24 0.00 0.10 0.00 0.00 66.02 65.01 1r9j s SER 616 CO 0.00 -0.29 0.83 1.41 0.98 0.00 0.00 173.24 176.17 1r9j n HIS 617 N -1.23 0.00 -3.63 5.02 8.25 0.60 -4.44 115.22 119.80 1r9j n HIS 617 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 1r9j n HIS 617 Cb 0.60 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.58 1r9j n HIS 617 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r9j s ALA 618 N -3.02 -1.50 -0.03 -1.41 0.00 -1.16 -5.03 121.76 109.61 1r9j s ALA 618 Ca 0.06 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1r9j s ALA 618 Cb 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1r9j s ALA 618 CO 0.85 -0.31 -0.16 -1.58 0.00 0.00 0.00 175.76 174.56 1r9j s HIS 619 N -0.45 1.56 -0.42 0.00 2.46 -1.26 -1.22 115.29 115.95 1r9j s HIS 619 Ca -0.06 -0.39 -0.05 0.00 0.47 0.00 0.00 55.06 55.03 1r9j s HIS 619 Cb -0.03 -1.04 0.10 0.00 -0.13 0.00 0.00 32.58 31.49 1r9j s HIS 619 CO 0.05 -0.11 0.23 0.08 -2.47 0.00 0.00 174.74 172.51 1r9j s VAL 620 N -0.09 3.56 0.00 0.89 1.01 0.13 -4.97 120.40 120.94 1r9j s VAL 620 Ca -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1r9j s VAL 620 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1r9j s VAL 620 CO 0.01 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1r9j n GLY 621 N 4.70 3.19 3.85 4.51 0.00 -1.25 -1.98 105.19 118.21 1r9j n GLY 621 Ca -0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1r9j n GLY 621 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r9j s MET 622 N 2.26 3.97 -0.00 1.61 -1.94 -0.07 -4.83 119.30 120.30 1r9j s MET 622 Ca 0.00 0.63 0.05 0.00 -1.71 0.00 0.00 55.69 54.65 1r9j s MET 622 Cb 0.00 -2.44 -0.06 0.00 2.01 0.00 0.00 34.83 34.34 1r9j s MET 622 CO 0.00 0.15 0.17 0.43 -0.01 0.00 0.00 175.02 175.75 1r9j n SER 623 N -0.44 1.29 0.00 3.03 7.64 -1.26 -3.95 113.62 119.92 1r9j n SER 623 Ca 0.03 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1r9j n SER 623 Cb 0.53 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1r9j n SER 623 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r9j n GLY 624 N 1.43 3.31 3.89 0.23 0.00 -1.26 -5.07 105.19 107.73 1r9j n GLY 624 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1r9j n GLY 624 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r9j s PHE 625 N -1.88 3.21 0.00 1.61 0.08 -1.26 -4.94 117.98 114.80 1r9j s PHE 625 Ca 0.00 0.91 0.00 0.00 0.12 0.00 0.00 56.93 57.96 1r9j s PHE 625 Cb 0.00 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1r9j s PHE 625 CO 0.00 -1.30 0.00 0.41 -0.10 0.00 0.00 175.22 174.23 1r9j n GLY 626 N -3.04 0.53 3.67 4.36 0.00 -1.26 -5.04 105.19 104.40 1r9j n GLY 626 Ca 0.07 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1r9j n GLY 626 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9j s ALA 627 N -3.81 -0.37 -0.45 4.61 0.00 -1.26 -4.47 121.76 116.00 1r9j s ALA 627 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1r9j s ALA 627 Cb 0.00 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.14 1r9j s ALA 627 CO 0.00 -0.91 0.39 0.45 0.00 0.00 0.00 175.76 175.69 1r9j s SER 628 N -3.04 6.15 -0.08 0.00 0.15 -1.26 -4.02 113.70 111.60 1r9j s SER 628 Ca 0.20 -1.04 -0.32 0.00 0.70 0.00 0.00 55.95 55.49 1r9j s SER 628 Cb -0.03 -2.19 0.13 0.00 -1.71 0.00 0.00 66.02 62.22 1r9j s SER 628 CO 0.11 -0.59 1.29 0.00 1.20 0.00 0.00 173.24 175.25 1r9j s ALA 629 N 1.82 -2.23 0.55 5.45 0.00 -1.23 -4.93 121.76 121.18 1r9j s ALA 629 Ca 0.07 1.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1r9j s ALA 629 Cb -0.21 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1r9j s ALA 629 CO 0.09 -0.92 1.37 -2.30 0.00 0.00 0.00 175.76 174.00 1r9j n PRO 630 N -0.37 1.70 -0.22 0.00 -0.02 -1.26 -2.09 135.00 132.74 1r9j n PRO 630 Ca -0.06 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1r9j n PRO 630 Cb 0.62 -2.59 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1r9j n PRO 630 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9j h ALA 631 N 1.43 0.21 -0.99 3.55 0.00 -1.81 -0.83 119.26 120.81 1r9j h ALA 631 Ca -0.51 0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1r9j h ALA 631 Cb 1.30 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.65 1r9j h ALA 631 CO 0.57 -0.55 0.62 0.78 0.00 0.00 0.00 179.25 180.67 1r9j h GLY 632 N -0.08 1.65 1.05 0.00 0.00 -1.92 -0.84 103.07 102.93 1r9j h GLY 632 Ca 0.28 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1r9j h GLY 632 CO -0.69 0.06 -0.09 -2.08 0.00 0.00 0.00 176.54 173.74 1r9j h VAL 633 N 0.87 1.27 -0.69 4.60 2.07 -1.52 -3.05 116.25 119.80 1r9j h VAL 633 Ca 0.53 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1r9j h VAL 633 Cb 0.69 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1r9j h VAL 633 CO -0.31 0.43 0.15 -0.07 0.02 0.00 0.00 177.57 177.80 1r9j h LEU 634 N 0.81 1.04 -0.88 2.57 3.38 -0.62 -0.20 115.31 121.41 1r9j h LEU 634 Ca 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1r9j h LEU 634 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1r9j h LEU 634 CO 0.04 1.01 0.15 1.88 0.09 0.00 0.00 178.44 181.61 1r9j h TYR 635 N 1.04 1.02 -0.14 1.13 -1.99 -1.26 -1.31 116.97 115.46 1r9j h TYR 635 Ca 0.21 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 60.71 1r9j h TYR 635 Cb 0.38 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1r9j h TYR 635 CO 0.03 0.84 -0.40 0.87 -0.00 0.00 0.00 178.16 179.50 1r9j h LYS 636 N 0.93 0.52 -0.65 4.88 1.57 -1.41 -0.74 116.57 121.68 1r9j h LYS 636 Ca 0.20 -0.37 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1r9j h LYS 636 Cb 0.33 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1r9j h LYS 636 CO 0.00 0.99 0.27 -0.22 -0.57 0.00 0.00 179.45 179.92 1r9j h LYS 637 N 0.15 0.45 -0.42 3.15 3.64 -0.77 -1.84 116.57 120.94 1r9j h LYS 637 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1r9j h LYS 637 Cb 1.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1r9j h LYS 637 CO 0.09 0.30 0.00 1.19 -2.27 0.00 0.00 179.45 178.75 1r9j n PHE 638 N -4.96 0.56 -1.74 1.91 3.72 -0.52 -4.93 117.46 111.50 1r9j n PHE 638 Ca 0.10 -0.27 -0.14 0.00 -0.05 0.00 0.00 57.45 57.09 1r9j n PHE 638 Cb 0.29 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 1r9j n PHE 638 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r9j n GLY 639 N 1.10 0.80 3.30 1.37 0.00 -0.69 -4.87 105.19 106.20 1r9j n GLY 639 Ca 0.13 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1r9j n GLY 639 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r9j n ILE 640 N -3.15 4.58 -4.29 -0.61 5.41 -0.30 -4.72 119.36 116.28 1r9j n ILE 640 Ca -0.15 -5.22 -0.16 0.00 1.00 0.00 0.00 62.75 58.23 1r9j n ILE 640 Cb 0.52 -2.47 -0.10 0.00 -0.71 0.00 0.00 39.64 36.88 1r9j n ILE 640 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1r9j s THR 641 N -0.61 0.36 0.13 1.39 -4.23 -1.26 -4.64 115.64 106.77 1r9j s THR 641 Ca 0.35 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1r9j s THR 641 Cb -0.05 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1r9j s THR 641 CO -0.03 0.00 1.71 0.58 -0.54 0.00 0.00 174.62 176.34 1r9j h VAL 642 N 2.42 1.15 -0.97 2.29 2.07 -1.93 -1.70 116.25 119.58 1r9j h VAL 642 Ca -0.37 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1r9j h VAL 642 Cb 1.25 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1r9j h VAL 642 CO 0.57 0.16 0.64 1.05 0.02 0.00 0.00 177.57 180.00 1r9j h GLU 643 N 0.40 1.20 -0.38 1.57 9.09 -1.97 0.14 114.58 124.63 1r9j h GLU 643 Ca 0.11 -0.07 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 1r9j h GLU 643 Cb 0.10 -0.27 -0.01 0.00 -1.65 0.00 0.00 28.75 26.91 1r9j h GLU 643 CO -0.02 0.80 -0.24 1.49 0.05 0.00 0.00 179.01 181.09 1r9j h GLU 644 N 1.24 0.77 -0.25 1.06 4.57 -1.78 -0.42 114.58 119.77 1r9j h GLU 644 Ca 0.38 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1r9j h GLU 644 Cb -0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1r9j h GLU 644 CO -0.12 0.93 -0.03 0.28 -1.18 0.00 0.00 179.01 178.90 1r9j h VAL 645 N 0.67 1.27 -0.32 0.32 2.07 -0.44 -1.23 116.25 118.59 1r9j h VAL 645 Ca 0.09 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1r9j h VAL 645 Cb 0.75 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1r9j h VAL 645 CO 0.06 0.31 0.11 0.58 0.02 0.00 0.00 177.57 178.64 1r9j h VAL 646 N 0.22 0.90 -0.34 2.57 2.07 -0.55 0.19 116.25 121.31 1r9j h VAL 646 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1r9j h VAL 646 Cb 0.46 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1r9j h VAL 646 CO 0.02 0.04 0.21 -0.09 0.02 0.00 0.00 177.57 177.78 1r9j h ARG 647 N 0.24 0.42 -0.57 1.57 2.43 -0.98 -0.25 114.38 117.25 1r9j h ARG 647 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1r9j h ARG 647 Cb 0.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1r9j h ARG 647 CO -0.15 0.28 0.12 1.15 -1.51 0.00 0.00 179.97 179.86 1r9j h THR 648 N 0.44 1.25 -0.57 0.20 2.02 -0.84 -1.66 112.91 113.76 1r9j h THR 648 Ca 0.13 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1r9j h THR 648 Cb -0.02 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1r9j h THR 648 CO -0.05 0.34 0.26 1.23 0.37 0.00 0.00 175.52 177.68 1r9j h GLY 649 N 0.83 0.88 1.00 2.16 0.00 -0.38 -1.61 103.07 105.95 1r9j h GLY 649 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1r9j h GLY 649 CO 0.01 0.43 0.34 3.21 0.00 0.00 0.00 176.54 180.52 1r9j h ARG 650 N 0.77 0.71 -0.33 4.80 3.08 -0.79 -1.05 114.38 121.56 1r9j h ARG 650 Ca 0.19 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1r9j h ARG 650 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1r9j h ARG 650 CO -0.02 0.49 -0.24 0.93 -1.07 0.00 0.00 179.97 180.06 1r9j h GLU 651 N 0.72 0.64 -0.20 0.04 5.08 -1.15 -1.92 114.58 117.79 1r9j h GLU 651 Ca 0.19 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1r9j h GLU 651 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1r9j h GLU 651 CO -0.04 0.82 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.69 1r9j h LEU 652 N 0.56 0.37 -1.18 1.33 3.38 -0.97 -0.64 115.31 118.16 1r9j h LEU 652 Ca 0.08 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1r9j h LEU 652 Cb 0.71 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1r9j h LEU 652 CO 0.05 0.64 0.55 0.00 0.09 0.00 0.00 178.44 179.77 1r9j h ALA 653 N 0.75 1.41 -0.39 1.53 0.00 -1.14 0.77 119.26 122.19 1r9j h ALA 653 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1r9j h ALA 653 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1r9j h ALA 653 CO 0.02 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 1r9j h LYS 654 N 1.13 0.72 -0.16 0.00 3.64 -1.16 -3.03 116.57 117.71 1r9j h LYS 654 Ca 0.31 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1r9j h LYS 654 Cb -0.13 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1r9j h LYS 654 CO -0.07 0.84 -0.61 -0.09 -2.27 0.00 0.00 179.45 177.25 1r9j h ARG 655 N 0.53 0.54 -2.69 1.90 9.65 -0.67 -3.38 114.38 120.27 1r9j h ARG 655 Ca 0.10 -0.37 -0.61 0.00 -1.10 0.00 0.00 59.98 58.01 1r9j h ARG 655 Cb 0.54 0.05 -0.41 0.00 -1.39 0.00 0.00 29.97 28.77 1r9j h ARG 655 CO 0.03 0.99 -0.71 1.19 2.80 0.00 0.00 179.97 184.26 1r9j n PHE 656 N -3.93 2.02 -2.75 2.20 3.01 0.22 -5.02 117.46 113.21 1r9j n PHE 656 Ca -0.04 -3.99 -0.34 0.00 1.01 0.00 0.00 57.45 54.10 1r9j n PHE 656 Cb 0.64 -0.38 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1r9j n PHE 656 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1r9j s PRO 657 N -1.24 4.20 -0.11 -1.08 0.04 -1.15 -4.45 135.00 131.22 1r9j s PRO 657 Ca 0.30 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 1r9j s PRO 657 Cb 0.02 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1r9j s PRO 657 CO -0.15 -0.06 0.17 -0.40 0.04 0.00 0.00 177.00 176.60 1r9j n ASP 658 N -0.50 -3.09 -1.15 6.66 5.68 -1.26 -2.78 116.55 120.12 1r9j n ASP 658 Ca 0.07 0.06 -0.15 0.00 -0.50 0.00 0.00 54.79 54.27 1r9j n ASP 658 Cb 0.53 -0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 39.64 1r9j n ASP 658 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r9j n GLY 659 N 0.41 1.52 0.96 6.12 0.00 -1.24 -4.90 105.19 108.06 1r9j n GLY 659 Ca -0.02 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.83 1r9j n GLY 659 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r9j n THR 660 N -2.53 0.61 -1.85 2.61 -2.24 -1.12 -4.65 114.28 105.11 1r9j n THR 660 Ca -0.15 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.41 1r9j n THR 660 Cb 0.51 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1r9j n THR 660 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9j s ALA 661 N -1.23 3.66 0.21 6.98 0.00 0.09 -4.88 121.76 126.58 1r9j s ALA 661 Ca 0.33 1.50 -0.32 0.00 0.00 0.00 0.00 51.96 53.47 1r9j s ALA 661 Cb 0.19 -3.61 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 1r9j s ALA 661 CO 0.26 -0.93 1.29 -2.30 0.00 0.00 0.00 175.76 174.07 1r9j n PRO 662 N 1.67 1.60 -2.24 0.00 -0.02 -1.26 -3.92 135.00 130.84 1r9j n PRO 662 Ca 0.05 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 1r9j n PRO 662 Cb 0.39 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1r9j n PRO 662 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r9j s LEU 663 N 0.38 4.22 0.32 2.45 1.43 -1.26 -4.71 118.68 121.51 1r9j s LEU 663 Ca 0.71 2.42 -0.05 0.00 -1.03 0.00 0.00 54.13 56.19 1r9j s LEU 663 Cb -0.75 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 1r9j s LEU 663 CO 0.51 -0.69 0.59 -0.54 0.23 0.00 0.00 176.35 176.45 1r9j s LYS 664 N -2.23 3.61 0.33 1.70 -0.14 -1.26 -4.99 119.74 116.75 1r9j s LYS 664 Ca 0.56 0.01 0.07 0.00 -1.36 0.00 0.00 55.97 55.25 1r9j s LYS 664 Cb -0.33 -2.60 0.76 0.00 -1.68 0.00 0.00 37.83 33.98 1r9j s LYS 664 CO 0.41 0.15 1.82 -0.91 -0.76 0.00 0.00 175.35 176.06 1r9j h ASN 665 N 1.38 0.74 0.13 2.83 4.21 -1.89 -2.01 115.58 120.96 1r9j h ASN 665 Ca -0.48 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.08 1r9j h ASN 665 Cb 1.20 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1r9j h ASN 665 CO 0.65 0.32 -0.09 0.77 -1.29 0.00 0.00 177.43 177.78 1r9j h SER 666 N 0.75 0.00 -0.40 5.81 4.64 -1.94 -2.00 113.55 120.41 1r9j h SER 666 Ca 0.52 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.70 1r9j h SER 666 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1r9j h SER 666 CO -0.29 0.09 -0.30 0.77 -0.87 0.00 0.00 176.83 176.24 1r9j h SER 667 N 0.00 0.97 -0.49 4.97 4.64 -1.76 -3.21 113.55 118.67 1r9j h SER 667 Ca -0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1r9j h SER 667 Cb 0.18 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1r9j h SER 667 CO 0.01 1.19 0.00 2.22 -0.87 0.00 0.00 176.83 179.38 1r9j n PHE 668 N -4.08 0.76 1.38 4.77 -1.74 -1.16 -5.09 117.46 112.29 1r9j n PHE 668 Ca -0.01 -0.54 0.14 0.00 -0.56 0.00 0.00 57.45 56.48 1r9j n PHE 668 Cb 0.50 -0.06 0.42 0.00 1.52 0.00 0.00 39.48 41.85 1r9j n PHE 668 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65