#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fed h ILE 47 N 0.00 1.25 -0.81 -1.33 1.08 -2.05 -1.80 117.51 113.85 3fed h ILE 47 Ca 0.00 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 3fed h ILE 47 Cb 0.00 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.16 3fed h ILE 47 CO 0.00 0.34 0.43 -0.09 -0.69 0.00 0.00 178.15 178.13 3fed h ARG 48 N 1.05 1.14 -0.57 2.37 2.43 -2.00 0.11 114.38 118.91 3fed h ARG 48 Ca 0.23 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3fed h ARG 48 Cb 0.27 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3fed h ARG 48 CO -0.01 0.85 0.04 2.35 -1.51 0.00 0.00 179.97 181.69 3fed h TRP 49 N 1.13 1.01 -0.86 2.20 7.01 -1.91 -1.35 115.95 123.17 3fed h TRP 49 Ca 0.28 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.14 3fed h TRP 49 Cb 0.06 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 3fed h TRP 49 CO 0.01 0.89 0.54 0.87 -2.79 0.00 0.00 178.44 177.96 3fed h LYS 50 N 0.88 1.15 -0.04 2.65 1.57 -0.61 0.87 116.57 123.05 3fed h LYS 50 Ca 0.17 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3fed h LYS 50 Cb 0.46 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3fed h LYS 50 CO 0.02 0.79 0.02 1.25 -0.57 0.00 0.00 179.45 180.96 3fed h LEU 51 N 1.18 0.05 -0.31 2.94 5.85 -0.59 -2.27 115.31 122.15 3fed h LEU 51 Ca 0.31 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3fed h LEU 51 Cb -0.08 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3fed h LEU 51 CO -0.06 0.13 -0.10 0.58 -0.34 0.00 0.00 178.44 178.64 3fed h VAL 52 N -0.04 1.29 0.00 1.05 2.07 -1.11 -3.20 116.25 116.31 3fed h VAL 52 Ca 0.01 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3fed h VAL 52 Cb 0.09 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3fed h VAL 52 CO -0.00 0.38 -0.10 0.28 0.02 0.00 0.00 177.57 178.14 3fed h SER 53 N 0.38 0.00 0.74 0.57 0.02 -0.83 -2.75 113.55 111.68 3fed h SER 53 Ca 0.07 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3fed h SER 53 Cb 0.61 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3fed h SER 53 CO 0.04 0.10 -0.53 -0.08 -1.14 0.00 0.00 176.83 175.22 3fed h GLU 54 N 0.00 0.00 -6.87 3.45 4.57 -1.40 -3.44 114.58 110.89 3fed h GLU 54 Ca -0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.65 3fed h GLU 54 Cb 0.79 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 29.45 3fed h GLU 54 CO 0.01 0.53 0.66 -1.64 -1.18 0.00 0.00 179.01 177.39 3fed s MET 55 N -3.57 4.33 -0.02 1.92 -1.94 -1.04 -4.99 119.30 113.99 3fed s MET 55 Ca -0.01 2.25 0.04 0.00 -1.71 0.00 0.00 55.69 56.26 3fed s MET 55 Cb 0.12 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 3fed s MET 55 CO 0.73 -0.24 -0.12 0.15 -0.01 0.00 0.00 175.02 175.53 3fed s LYS 56 N -1.65 1.11 0.24 2.03 -0.14 -1.26 -5.03 119.74 115.04 3fed s LYS 56 Ca 0.50 -0.44 -0.05 0.00 -1.36 0.00 0.00 55.97 54.62 3fed s LYS 56 Cb -0.40 -1.05 0.38 0.00 -1.68 0.00 0.00 37.83 35.08 3fed s LYS 56 CO 0.53 0.23 1.78 0.00 -0.76 0.00 0.00 175.35 177.12 3fed h ALA 57 N 6.03 1.06 -0.10 5.17 0.00 -1.89 -1.96 119.26 127.57 3fed h ALA 57 Ca -0.33 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3fed h ALA 57 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3fed h ALA 57 CO 0.49 -0.03 -0.19 1.49 0.00 0.00 0.00 179.25 181.00 3fed h GLU 58 N 0.63 0.16 -0.30 0.00 4.57 -1.92 -1.25 114.58 116.47 3fed h GLU 58 Ca 0.38 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.34 3fed h GLU 58 Cb 0.42 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3fed h GLU 58 CO -0.29 0.35 -0.50 -0.91 -1.18 0.00 0.00 179.01 176.49 3fed h ASN 59 N 0.15 0.95 -0.92 1.04 2.35 -1.79 -1.25 115.58 116.10 3fed h ASN 59 Ca 0.03 -0.52 0.02 0.00 -0.55 0.00 0.00 56.30 55.28 3fed h ASN 59 Cb 0.43 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 3fed h ASN 59 CO 0.03 1.29 0.60 0.40 -1.65 0.00 0.00 177.43 178.11 3fed h ILE 60 N 0.65 1.19 -0.41 2.81 2.04 -0.99 -0.40 117.51 122.40 3fed h ILE 60 Ca 0.02 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3fed h ILE 60 Cb 1.11 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3fed h ILE 60 CO 0.11 0.22 0.15 0.50 0.00 0.00 0.00 178.15 179.13 3fed h LYS 61 N 1.20 0.62 -0.38 2.37 3.64 -1.08 0.33 116.57 123.28 3fed h LYS 61 Ca 0.35 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3fed h LYS 61 Cb -0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3fed h LYS 61 CO -0.10 0.60 0.13 1.03 -2.27 0.00 0.00 179.45 178.84 3fed h SER 62 N 0.52 0.55 -0.32 4.20 0.87 -0.95 -0.63 113.55 117.78 3fed h SER 62 Ca 0.13 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3fed h SER 62 Cb 0.22 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3fed h SER 62 CO -0.01 0.59 0.20 -0.26 -0.53 0.00 0.00 176.83 176.83 3fed h PHE 63 N 0.47 0.38 -0.57 2.24 0.04 -0.85 -1.90 116.94 116.75 3fed h PHE 63 Ca 0.12 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3fed h PHE 63 Cb 0.23 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 3fed h PHE 63 CO 0.01 0.24 0.35 1.25 -0.60 0.00 0.00 178.31 179.55 3fed h LEU 64 N 0.41 0.69 -0.94 1.54 5.85 -0.53 -1.65 115.31 120.68 3fed h LEU 64 Ca 0.12 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3fed h LEU 64 Cb -0.03 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3fed h LEU 64 CO -0.04 0.54 0.41 -0.09 -0.34 0.00 0.00 178.44 178.92 3fed h ARG 65 N 0.78 1.16 0.00 1.25 9.65 -1.00 -2.63 114.38 123.59 3fed h ARG 65 Ca 0.21 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 3fed h ARG 65 Cb -0.02 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 3fed h ARG 65 CO -0.04 0.88 -0.22 0.66 2.80 0.00 0.00 179.97 184.05 3fed h SER 66 N 1.16 0.00 -0.59 -3.80 4.64 -0.49 -3.08 113.55 111.39 3fed h SER 66 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3fed h SER 66 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3fed h SER 66 CO -0.04 0.22 0.00 0.49 -0.87 0.00 0.00 176.83 176.63 3fed n PHE 67 N -3.47 1.01 -1.00 4.77 3.72 -0.79 -4.50 117.46 117.20 3fed n PHE 67 Ca -0.00 -0.56 0.03 0.00 -0.05 0.00 0.00 57.45 56.87 3fed n PHE 67 Cb 0.39 -0.10 0.04 0.00 -0.94 0.00 0.00 39.48 38.87 3fed n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fed n THR 68 N 1.08 0.81 0.17 4.37 -2.24 -1.08 -4.79 114.28 112.60 3fed n THR 68 Ca 0.22 -0.92 0.06 0.00 -2.27 0.00 0.00 64.05 61.13 3fed n THR 68 Cb 0.68 0.39 0.21 0.00 -2.10 0.00 0.00 70.33 69.50 3fed n THR 68 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fed h LYS 69 N 0.00 0.00 -4.54 -0.78 1.57 -1.79 -3.44 116.57 107.59 3fed h LYS 69 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3fed h LYS 69 Cb 0.97 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.10 3fed h LYS 69 CO 0.00 0.38 -0.71 -0.51 -0.57 0.00 0.00 179.45 178.04 3fed s LEU 70 N -6.65 2.39 0.61 2.94 1.43 -1.26 -5.05 118.68 113.09 3fed s LEU 70 Ca 0.02 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 3fed s LEU 70 Cb 0.09 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.21 3fed s LEU 70 CO 0.70 -0.37 1.29 -2.84 0.23 0.00 0.00 176.35 175.37 3fed s PRO 71 N -2.82 2.82 -0.37 1.29 0.02 -1.26 -4.68 135.00 129.98 3fed s PRO 71 Ca 0.01 2.06 0.11 0.00 0.02 0.00 0.00 61.00 63.21 3fed s PRO 71 Cb -0.01 -1.99 0.33 0.00 0.02 0.00 0.00 34.50 32.85 3fed s PRO 71 CO -0.03 -1.39 0.68 -2.39 -0.33 0.00 0.00 177.00 173.54 3fed n HIS 72 N -1.57 0.06 -2.15 6.54 1.44 -0.96 -4.69 115.22 113.89 3fed n HIS 72 Ca 0.14 -3.76 -0.40 0.00 -2.01 0.00 0.00 57.72 51.68 3fed n HIS 72 Cb 0.47 -0.40 -0.02 0.00 0.12 0.00 0.00 29.99 30.16 3fed n HIS 72 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3fed s LEU 73 N -2.14 4.42 0.35 2.39 2.96 -1.23 -1.51 118.68 123.92 3fed s LEU 73 Ca 0.39 2.64 -0.28 0.00 -0.22 0.00 0.00 54.13 56.67 3fed s LEU 73 Cb 0.31 -3.67 -0.12 0.00 0.50 0.00 0.00 46.19 43.21 3fed s LEU 73 CO -0.09 -0.52 1.28 0.00 -1.32 0.00 0.00 176.35 175.70 3fed n ALA 74 N 0.77 1.27 -0.80 5.97 0.00 -1.26 -2.22 120.51 124.24 3fed n ALA 74 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3fed n ALA 74 Cb 0.42 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3fed n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fed n GLY 75 N 0.78 0.86 3.91 0.00 0.00 -1.26 -5.02 105.19 104.46 3fed n GLY 75 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3fed n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fed s THR 76 N -3.39 4.96 0.26 2.61 -4.23 -0.94 -4.90 115.64 110.00 3fed s THR 76 Ca 0.00 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3fed s THR 76 Cb 0.00 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.44 3fed s THR 76 CO 0.00 -0.30 1.89 -0.08 -0.54 0.00 0.00 174.62 175.59 3fed h GLU 77 N 1.42 1.18 -0.74 3.99 4.57 -1.96 -2.37 114.58 120.67 3fed h GLU 77 Ca -0.50 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 57.66 3fed h GLU 77 Cb 1.23 -0.27 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 3fed h GLU 77 CO 0.62 0.78 0.44 1.96 -1.18 0.00 0.00 179.01 181.63 3fed h GLN 78 N 1.22 0.80 0.00 1.92 4.20 -1.90 -0.30 115.11 121.05 3fed h GLN 78 Ca 0.42 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 3fed h GLN 78 Cb 0.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3fed h GLN 78 CO -0.15 0.53 -0.23 -0.97 -0.67 0.00 0.00 178.83 177.33 3fed h ASN 79 N 0.82 0.00 -0.22 1.46 -1.24 -1.65 -0.86 115.58 113.89 3fed h ASN 79 Ca 0.32 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.25 3fed h ASN 79 Cb 0.15 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 3fed h ASN 79 CO -0.17 0.23 -0.21 0.15 -1.29 0.00 0.00 177.43 176.14 3fed h PHE 80 N 0.00 0.63 -0.54 0.67 3.57 -1.07 -2.28 116.94 117.93 3fed h PHE 80 Ca -0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3fed h PHE 80 Cb 0.93 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3fed h PHE 80 CO 0.00 0.87 0.34 -0.07 -2.23 0.00 0.00 178.31 177.21 3fed h LEU 81 N 0.21 0.63 -0.77 0.59 3.38 -0.80 -0.91 115.31 117.64 3fed h LEU 81 Ca 0.03 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3fed h LEU 81 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3fed h LEU 81 CO 0.05 0.47 -0.39 -0.07 0.09 0.00 0.00 178.44 178.59 3fed h LEU 82 N 0.73 0.49 -0.86 1.67 3.38 -1.13 -0.48 115.31 119.11 3fed h LEU 82 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fed h LEU 82 Cb -0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3fed h LEU 82 CO -0.04 0.84 0.55 0.00 0.09 0.00 0.00 178.44 179.87 3fed h ALA 83 N 1.19 1.10 -0.71 1.53 0.00 -0.70 -0.81 119.26 120.86 3fed h ALA 83 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3fed h ALA 83 Cb 0.86 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3fed h ALA 83 CO 0.07 0.53 0.30 0.87 0.00 0.00 0.00 179.25 181.02 3fed h LYS 84 N 1.18 1.05 -0.68 0.00 1.79 -0.71 -0.52 116.57 118.68 3fed h LYS 84 Ca 0.31 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 3fed h LYS 84 Cb -0.09 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.35 3fed h LYS 84 CO -0.06 0.86 0.40 -0.22 -1.08 0.00 0.00 179.45 179.35 3fed h LYS 85 N 1.01 0.93 -0.41 3.15 3.64 -0.53 -1.26 116.57 123.10 3fed h LYS 85 Ca 0.24 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3fed h LYS 85 Cb 0.19 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3fed h LYS 85 CO -0.02 0.67 -0.02 0.82 -2.27 0.00 0.00 179.45 178.63 3fed h ILE 86 N 0.93 1.26 -0.20 2.00 2.04 -0.88 -1.57 117.51 121.09 3fed h ILE 86 Ca 0.24 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.05 3fed h ILE 86 Cb -0.01 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3fed h ILE 86 CO -0.04 0.36 0.12 -0.61 0.00 0.00 0.00 178.15 177.98 3fed h GLN 87 N 0.56 0.25 -0.67 2.37 4.15 -0.94 -0.30 115.11 120.52 3fed h GLN 87 Ca 0.11 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.56 3fed h GLN 87 Cb 0.51 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 3fed h GLN 87 CO 0.03 0.16 0.41 1.15 -1.93 0.00 0.00 178.83 178.64 3fed h THR 88 N 0.25 1.05 -0.49 2.39 2.02 -1.14 -1.68 112.91 115.31 3fed h THR 88 Ca 0.08 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3fed h THR 88 Cb -0.01 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3fed h THR 88 CO -0.03 0.14 0.20 1.56 0.37 0.00 0.00 175.52 177.76 3fed h GLN 89 N 0.78 0.73 -0.66 6.66 4.20 -0.88 -1.42 115.11 124.52 3fed h GLN 89 Ca 0.28 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3fed h GLN 89 Cb 0.08 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3fed h GLN 89 CO -0.13 0.65 0.35 -1.49 -0.67 0.00 0.00 178.83 177.54 3fed h TRP 90 N 0.65 0.89 -0.55 2.96 6.55 -0.72 0.31 115.95 126.05 3fed h TRP 90 Ca 0.16 -0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.93 3fed h TRP 90 Cb 0.19 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 3fed h TRP 90 CO 0.00 0.63 0.12 0.87 -1.05 0.00 0.00 178.44 179.01 3fed h LYS 91 N 0.92 0.89 -0.86 0.49 1.57 -1.03 -2.24 116.57 116.30 3fed h LYS 91 Ca 0.23 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3fed h LYS 91 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3fed h LYS 91 CO -0.04 0.85 0.48 -0.22 -0.57 0.00 0.00 179.45 179.95 3fed h LYS 92 N 0.78 1.19 0.00 3.15 3.64 -0.50 -2.15 116.57 122.68 3fed h LYS 92 Ca 0.17 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3fed h LYS 92 Cb 0.37 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3fed h LYS 92 CO 0.01 0.87 -0.07 0.74 -2.27 0.00 0.00 179.45 178.72 3fed h PHE 93 N 1.20 0.00 0.00 1.91 0.04 -0.70 -3.46 116.94 115.93 3fed h PHE 93 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 3fed h PHE 93 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3fed h PHE 93 CO 0.01 0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.20 3fed n GLY 94 N -0.76 1.23 3.71 -1.45 0.00 -0.81 -4.26 105.19 102.85 3fed n GLY 94 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3fed n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fed s LEU 95 N 0.00 3.30 0.34 0.99 1.02 -0.87 -4.91 118.68 118.55 3fed s LEU 95 Ca 0.00 2.46 0.13 0.00 0.02 0.00 0.00 54.13 56.74 3fed s LEU 95 Cb 0.00 -4.60 0.60 0.00 0.02 0.00 0.00 46.19 42.21 3fed s LEU 95 CO 0.00 -2.41 1.74 0.44 0.02 0.00 0.00 176.35 176.14 3fed h ASP 96 N -0.35 0.00 -5.07 2.29 3.32 -1.23 -3.46 116.42 111.92 3fed h ASP 96 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3fed h ASP 96 Cb 1.31 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 3fed h ASP 96 CO 0.49 0.46 -0.17 -0.94 -1.72 0.00 0.00 179.24 177.36 3fed s SER 97 N -6.81 -0.17 -0.29 6.45 1.04 -1.19 -4.95 113.70 107.78 3fed s SER 97 Ca -0.02 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.20 3fed s SER 97 Cb 0.13 0.41 0.20 0.00 0.10 0.00 0.00 66.02 66.86 3fed s SER 97 CO 0.73 -0.73 0.61 0.00 0.98 0.00 0.00 173.24 174.83 3fed s ALA 98 N -3.16 -2.42 0.09 5.32 0.00 -1.26 -2.10 121.76 118.22 3fed s ALA 98 Ca -0.01 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.28 3fed s ALA 98 Cb 0.01 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 3fed s ALA 98 CO -0.07 -1.73 -0.23 0.15 0.00 0.00 0.00 175.76 173.88 3fed s LYS 99 N 2.84 1.34 -0.00 0.00 1.02 0.08 -4.94 119.74 120.08 3fed s LYS 99 Ca 0.13 -1.16 -0.24 0.00 0.02 0.00 0.00 55.97 54.72 3fed s LYS 99 Cb -0.11 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 3fed s LYS 99 CO -0.25 0.39 0.72 -0.51 -0.92 0.00 0.00 175.35 174.79 3fed s LEU 100 N -1.71 4.40 -0.17 3.17 1.43 -1.26 -0.70 118.68 123.84 3fed s LEU 100 Ca 0.09 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3fed s LEU 100 Cb -0.10 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 43.02 3fed s LEU 100 CO 0.04 -0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 175.78 3fed s VAL 101 N 0.23 1.67 0.20 -1.59 1.01 0.34 -4.96 120.40 117.29 3fed s VAL 101 Ca 0.37 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3fed s VAL 101 Cb -0.19 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3fed s VAL 101 CO 0.20 0.35 0.09 -1.38 0.00 0.00 0.00 175.10 174.36 3fed s HIS 102 N 1.42 2.99 0.05 5.22 -3.43 -1.26 -0.48 115.29 119.81 3fed s HIS 102 Ca 0.02 -0.10 -0.01 0.00 -0.80 0.00 0.00 55.06 54.18 3fed s HIS 102 Cb -0.14 -1.41 -0.04 0.00 -1.43 0.00 0.00 32.58 29.56 3fed s HIS 102 CO -0.10 0.53 -0.03 0.71 -2.00 0.00 0.00 174.74 173.86 3fed s TYR 103 N -1.89 0.49 -0.33 0.38 2.02 -0.75 -4.91 117.35 112.35 3fed s TYR 103 Ca 0.30 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 3fed s TYR 103 Cb -0.09 -0.37 0.07 0.00 -0.40 0.00 0.00 41.96 41.17 3fed s TYR 103 CO 0.22 -0.37 0.06 -0.51 -1.57 0.00 0.00 175.55 173.38 3fed s ASP 104 N -2.81 4.96 0.21 2.29 1.01 -0.67 -0.84 116.67 120.82 3fed s ASP 104 Ca 0.05 -1.58 0.08 0.00 0.71 0.00 0.00 52.55 51.82 3fed s ASP 104 Cb 0.07 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.22 3fed s ASP 104 CO -0.09 -0.35 -0.16 0.68 0.21 0.00 0.00 175.17 175.46 3fed s VAL 105 N 1.18 1.87 -0.14 -1.27 -7.23 -0.48 -4.79 120.40 109.53 3fed s VAL 105 Ca 0.00 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 3fed s VAL 105 Cb -0.21 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 3fed s VAL 105 CO -0.03 -0.54 1.32 -0.22 -0.31 0.00 0.00 175.10 175.33 3fed s LEU 106 N -3.28 4.21 0.51 1.32 2.96 -1.26 -0.47 118.68 122.67 3fed s LEU 106 Ca 0.23 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.97 3fed s LEU 106 Cb -0.02 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.13 3fed s LEU 106 CO 0.08 -0.78 0.18 -0.76 -1.32 0.00 0.00 176.35 173.76 3fed s LEU 107 N 3.49 2.57 -0.09 -0.68 1.43 -0.41 -4.80 118.68 120.18 3fed s LEU 107 Ca 0.58 -1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 3fed s LEU 107 Cb -0.24 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.01 3fed s LEU 107 CO 0.18 -0.91 0.21 -0.55 0.23 0.00 0.00 176.35 175.51 3fed s SER 108 N -4.04 -0.21 0.04 2.29 0.15 -1.26 -0.97 113.70 109.70 3fed s SER 108 Ca 0.22 0.43 -0.05 0.00 0.70 0.00 0.00 55.95 57.25 3fed s SER 108 Cb 0.01 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 3fed s SER 108 CO 0.13 -0.12 0.10 -0.31 1.20 0.00 0.00 173.24 174.23 3fed s TYR 109 N 0.76 0.22 0.72 3.44 2.02 -0.23 -4.81 117.35 119.47 3fed s TYR 109 Ca -0.05 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 3fed s TYR 109 Cb -0.07 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.38 3fed s TYR 109 CO -0.04 -0.38 1.15 -2.14 -1.57 0.00 0.00 175.55 172.57 3fed s PRO 110 N -2.79 2.30 -0.22 -1.71 0.02 -1.26 -0.27 135.00 131.07 3fed s PRO 110 Ca -0.03 1.53 -0.23 0.00 0.02 0.00 0.00 61.00 62.29 3fed s PRO 110 Cb -0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3fed s PRO 110 CO -0.05 -1.66 0.74 1.21 -0.33 0.00 0.00 177.00 176.90 3fed s ASN 111 N -2.44 6.76 0.08 2.53 3.84 -1.26 -4.72 114.94 119.74 3fed s ASN 111 Ca 0.69 0.94 0.16 0.00 0.21 0.00 0.00 52.86 54.87 3fed s ASN 111 Cb -0.24 -2.40 0.70 0.00 -0.55 0.00 0.00 41.25 38.77 3fed s ASN 111 CO 0.46 -0.40 1.51 -0.62 -2.79 0.00 0.00 177.10 175.26 3fed n GLU 112 N 5.56 0.06 -0.03 0.43 -0.58 -1.26 -2.21 120.64 122.61 3fed n GLU 112 Ca 0.02 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 57.10 3fed n GLU 112 Cb 0.49 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 29.76 3fed n GLU 112 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3fed n THR 113 N -1.73 1.00 -3.16 2.62 -2.24 -1.26 -4.82 114.28 104.68 3fed n THR 113 Ca 0.03 -1.07 -0.20 0.00 -2.27 0.00 0.00 64.05 60.55 3fed n THR 113 Cb 0.17 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 3fed n THR 113 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fed n ASN 114 N -0.59 -1.23 -4.77 3.42 5.15 -0.94 -5.14 115.26 111.17 3fed n ASN 114 Ca 0.03 -2.63 -0.37 0.00 -0.60 0.00 0.00 54.58 51.01 3fed n ASN 114 Cb 0.37 0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.77 3fed n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fed s ALA 115 N 0.05 2.85 0.42 5.20 0.00 -1.25 -4.45 121.76 124.58 3fed s ALA 115 Ca 0.33 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 3fed s ALA 115 Cb 0.07 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3fed s ALA 115 CO -0.15 -0.84 0.97 -0.80 0.00 0.00 0.00 175.76 174.94 3fed s ASN 116 N -1.41 6.88 0.15 0.00 0.01 -1.26 -4.88 114.94 114.43 3fed s ASN 116 Ca 0.68 1.79 -0.25 0.00 -0.71 0.00 0.00 52.86 54.37 3fed s ASN 116 Cb -0.30 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 38.87 3fed s ASN 116 CO 0.35 -0.40 0.88 -0.72 -1.51 0.00 0.00 177.10 175.69 3fed s TYR 117 N -2.01 -0.21 0.04 2.20 -0.85 -0.47 -4.92 117.35 111.14 3fed s TYR 117 Ca 0.61 -0.09 0.09 0.00 -0.52 0.00 0.00 57.07 57.15 3fed s TYR 117 Cb -0.13 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 3fed s TYR 117 CO 0.17 -0.86 -0.24 0.42 -1.52 0.00 0.00 175.55 173.53 3fed s ILE 118 N -3.40 2.34 0.16 -3.49 -1.09 -1.26 -0.70 121.20 113.76 3fed s ILE 118 Ca 0.10 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 3fed s ILE 118 Cb -0.02 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 3fed s ILE 118 CO 0.00 0.37 0.02 -0.94 -1.23 0.00 0.00 174.94 173.16 3fed s SER 119 N -1.28 0.95 -0.11 3.58 1.04 -0.17 -1.38 113.70 116.34 3fed s SER 119 Ca 0.12 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.38 3fed s SER 119 Cb -0.10 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3fed s SER 119 CO 0.03 -0.62 -0.18 -0.63 0.98 0.00 0.00 173.24 172.82 3fed s ILE 120 N -3.78 2.63 0.20 -1.02 1.01 -0.11 -0.73 121.20 119.40 3fed s ILE 120 Ca 0.24 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 60.18 3fed s ILE 120 Cb 0.07 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3fed s ILE 120 CO 0.04 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.62 3fed s VAL 121 N 0.24 2.51 0.36 2.92 1.01 -0.13 -0.36 120.40 126.94 3fed s VAL 121 Ca -0.12 -2.03 -0.01 0.00 0.00 0.00 0.00 61.98 59.82 3fed s VAL 121 Cb -0.16 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.07 3fed s VAL 121 CO 0.06 -0.16 0.49 -0.90 0.00 0.00 0.00 175.10 174.60 3fed n ASP 122 N 0.10 0.56 0.00 3.32 3.85 -0.57 -1.45 116.55 122.36 3fed n ASP 122 Ca -0.11 -1.50 0.11 0.00 -0.71 0.00 0.00 54.79 52.58 3fed n ASP 122 Cb 0.56 -0.33 0.56 0.00 -1.35 0.00 0.00 41.12 40.56 3fed n ASP 122 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3fed n GLU 123 N -1.94 0.25 -0.48 0.11 0.00 -1.26 -2.15 120.64 115.17 3fed n GLU 123 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 57.16 57.42 3fed n GLU 123 Cb 0.28 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.54 3fed n GLU 123 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3fed n HIS 124 N -1.34 1.19 -1.13 -1.84 8.25 -1.26 -4.94 115.22 114.16 3fed n HIS 124 Ca 0.10 -0.57 -0.04 0.00 -0.26 0.00 0.00 57.72 56.95 3fed n HIS 124 Cb 0.20 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 3fed n HIS 124 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fed n GLU 125 N 1.23 -0.95 -2.86 -0.41 1.02 -0.91 -5.00 120.64 112.76 3fed n GLU 125 Ca 0.24 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.48 3fed n GLU 125 Cb 0.75 -4.37 -0.04 0.00 -0.02 0.00 0.00 31.44 27.75 3fed n GLU 125 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fed s THR 126 N -1.84 4.83 -0.09 2.62 2.01 -1.26 -4.81 115.64 117.11 3fed s THR 126 Ca 0.00 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 3fed s THR 126 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3fed s THR 126 CO 0.00 0.25 1.46 -1.61 -0.69 0.00 0.00 174.62 174.03 3fed s GLU 127 N 0.59 4.21 -0.18 4.92 2.02 -1.26 -1.52 118.70 127.49 3fed s GLU 127 Ca 0.45 1.94 0.18 0.00 0.02 0.00 0.00 54.97 57.56 3fed s GLU 127 Cb -0.20 -3.85 -0.25 0.00 0.10 0.00 0.00 34.13 29.93 3fed s GLU 127 CO 0.25 -0.76 0.11 -0.89 0.02 0.00 0.00 175.26 173.99 3fed n ILE 128 N 5.34 1.23 -3.75 -1.63 2.08 0.51 -4.96 119.36 118.18 3fed n ILE 128 Ca 0.15 -0.81 -0.13 0.00 0.56 0.00 0.00 62.75 62.53 3fed n ILE 128 Cb 0.44 -0.42 -0.11 0.00 -0.75 0.00 0.00 39.64 38.80 3fed n ILE 128 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3fed s PHE 129 N -2.58 -0.40 -0.15 1.39 5.36 -1.15 -4.98 117.98 115.46 3fed s PHE 129 Ca -0.10 0.96 -0.10 0.00 -0.96 0.00 0.00 56.93 56.74 3fed s PHE 129 Cb 0.07 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 3fed s PHE 129 CO 0.82 -0.20 0.37 0.21 -1.46 0.00 0.00 175.22 174.97 3fed s LYS 130 N 0.32 0.37 0.89 10.12 2.20 -1.26 -0.94 119.74 131.45 3fed s LYS 130 Ca -0.01 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.16 3fed s LYS 130 Cb -0.03 0.02 0.12 0.00 -1.51 0.00 0.00 37.83 36.43 3fed s LYS 130 CO -0.01 -0.13 1.10 0.95 -0.36 0.00 0.00 175.35 176.90 3fed s THR 131 N 1.08 2.58 0.00 3.43 -4.23 -0.48 -5.00 115.64 113.02 3fed s THR 131 Ca -0.07 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 3fed s THR 131 Cb -0.07 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.98 3fed s THR 131 CO -0.09 -0.24 0.00 -0.24 -0.54 0.00 0.00 174.62 173.51 3fed n SER 132 N -3.79 0.00 -4.97 3.99 2.88 -1.26 -4.78 113.62 105.69 3fed n SER 132 Ca 0.07 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.39 3fed n SER 132 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 3fed n SER 132 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fed s PRO 136 N 1.74 3.42 0.98 -1.46 0.04 -1.26 -5.08 135.00 133.38 3fed s PRO 136 Ca 0.00 -0.69 -0.11 0.00 0.04 0.00 0.00 61.00 60.24 3fed s PRO 136 Cb 0.00 -2.83 0.18 0.00 0.04 0.00 0.00 34.50 31.89 3fed s PRO 136 CO 0.00 0.33 1.12 -2.14 0.04 0.00 0.00 177.00 176.35 3fed s PRO 137 N -4.07 0.51 0.85 0.56 0.02 -1.26 -4.97 135.00 126.63 3fed s PRO 137 Ca 0.36 1.40 -0.12 0.00 0.02 0.00 0.00 61.00 62.67 3fed s PRO 137 Cb -0.09 -1.68 0.11 0.00 0.02 0.00 0.00 34.50 32.86 3fed s PRO 137 CO 0.31 -2.93 1.17 -2.14 -0.33 0.00 0.00 177.00 173.07 3fed s PRO 138 N -4.59 1.44 0.14 5.54 0.02 -1.26 -4.74 135.00 131.54 3fed s PRO 138 Ca 0.67 1.61 -0.35 0.00 0.02 0.00 0.00 61.00 62.96 3fed s PRO 138 Cb -0.23 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 3fed s PRO 138 CO 0.60 -2.33 1.46 -0.25 -0.33 0.00 0.00 177.00 176.15 3fed n ASP 139 N -3.71 2.49 0.00 2.53 10.43 -1.26 -1.02 116.55 126.01 3fed n ASP 139 Ca 0.12 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.59 3fed n ASP 139 Cb 0.51 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.14 3fed n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fed n GLY 140 N 2.94 2.69 0.63 0.44 0.00 -1.26 -4.90 105.19 105.73 3fed n GLY 140 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3fed n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fed n TYR 141 N -1.97 0.20 0.25 1.61 4.01 -0.19 -4.78 117.16 116.29 3fed n TYR 141 Ca 0.00 -1.43 0.10 0.00 -0.16 0.00 0.00 57.90 56.41 3fed n TYR 141 Cb 0.00 -0.28 0.65 0.00 -0.31 0.00 0.00 39.34 39.40 3fed n TYR 141 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3fed h GLU 142 N 0.88 0.00 -0.22 -0.72 3.07 -1.86 -1.83 114.58 113.91 3fed h GLU 142 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3fed h GLU 142 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3fed h GLU 142 CO 0.07 0.15 0.00 0.27 -1.40 0.00 0.00 179.01 178.09 3fed n ASN 143 N -3.86 1.69 -4.67 1.42 0.23 -1.26 -4.86 115.26 103.95 3fed n ASN 143 Ca -0.02 -1.78 -0.42 0.00 -0.53 0.00 0.00 54.58 51.82 3fed n ASN 143 Cb 0.24 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3fed n ASN 143 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3fed s VAL 144 N -1.72 4.80 -0.42 3.53 1.01 -0.69 -4.94 120.40 121.98 3fed s VAL 144 Ca 0.30 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.18 3fed s VAL 144 Cb 0.16 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.38 3fed s VAL 144 CO 0.23 -0.03 0.89 0.35 0.00 0.00 0.00 175.10 176.55 3fed n THR 145 N 4.80 0.57 -2.17 3.92 -2.24 -1.26 -4.63 114.28 113.26 3fed n THR 145 Ca 0.08 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.97 3fed n THR 145 Cb 0.48 0.75 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 3fed n THR 145 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fed n ASN 146 N 0.03 3.23 -4.70 3.42 6.94 -1.26 -5.04 115.26 117.87 3fed n ASN 146 Ca 0.03 -3.23 -0.42 0.00 -0.02 0.00 0.00 54.58 50.94 3fed n ASN 146 Cb 0.22 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.21 3fed n ASN 146 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3fed s ILE 147 N -3.78 3.39 0.13 1.53 1.01 -1.26 -4.93 121.20 117.29 3fed s ILE 147 Ca 0.42 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3fed s ILE 147 Cb 0.38 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 3fed s ILE 147 CO -0.02 0.04 1.17 0.54 0.00 0.00 0.00 174.94 176.67 3fed s VAL 148 N 1.76 3.83 0.91 2.92 0.11 -1.26 -5.00 120.40 123.66 3fed s VAL 148 Ca 0.66 1.45 -0.11 0.00 -2.93 0.00 0.00 61.98 61.04 3fed s VAL 148 Cb -0.36 -3.93 0.13 0.00 -1.53 0.00 0.00 36.38 30.70 3fed s VAL 148 CO 0.29 0.19 1.09 -2.16 -3.33 0.00 0.00 175.10 171.18 3fed s PRO 149 N 0.25 1.17 0.35 1.54 0.04 -1.26 -4.92 135.00 132.16 3fed s PRO 149 Ca 0.54 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3fed s PRO 149 Cb -0.31 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3fed s PRO 149 CO 0.33 -2.35 1.45 -2.14 0.04 0.00 0.00 177.00 174.33 3fed s PRO 150 N -4.84 4.18 0.11 0.56 0.02 -1.26 -4.96 135.00 128.81 3fed s PRO 150 Ca 0.64 2.47 -0.26 0.00 0.02 0.00 0.00 61.00 63.87 3fed s PRO 150 Cb -0.19 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.39 3fed s PRO 150 CO 0.58 -0.45 0.94 1.52 -0.33 0.00 0.00 177.00 179.25 3fed s TYR 151 N -0.90 -0.19 -0.32 6.54 1.13 -1.26 -4.86 117.35 117.49 3fed s TYR 151 Ca 0.54 -0.06 -0.03 0.00 -1.41 0.00 0.00 57.07 56.10 3fed s TYR 151 Cb -0.45 0.61 0.05 0.00 -1.10 0.00 0.00 41.96 41.07 3fed s TYR 151 CO 0.57 -0.74 0.05 -0.80 -2.51 0.00 0.00 175.55 172.11 3fed s ASN 152 N -2.82 5.05 0.27 -0.18 -0.87 -1.26 -3.41 114.94 111.73 3fed s ASN 152 Ca 0.10 -1.27 -0.30 0.00 -1.57 0.00 0.00 52.86 49.81 3fed s ASN 152 Cb -0.01 -1.77 -0.12 0.00 -0.02 0.00 0.00 41.25 39.32 3fed s ASN 152 CO -0.01 -0.30 1.51 0.00 -2.57 0.00 0.00 177.10 175.73 3fed n ALA 153 N 4.68 1.94 -0.91 0.60 0.00 -1.14 -1.86 120.51 123.82 3fed n ALA 153 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3fed n ALA 153 Cb 0.44 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3fed n ALA 153 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fed n PHE 154 N 2.00 0.00 -1.51 0.00 3.72 -1.26 -1.79 117.46 118.61 3fed n PHE 154 Ca 0.10 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 3fed n PHE 154 Cb 0.35 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3fed n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fed n SER 155 N 0.00 0.05 -4.69 4.37 2.88 -0.78 -4.19 113.62 111.26 3fed n SER 155 Ca 0.00 1.03 -0.31 0.00 -1.33 0.00 0.00 58.87 58.26 3fed n SER 155 Cb 0.00 -1.19 0.15 0.00 -0.75 0.00 0.00 64.21 62.42 3fed n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fed s ALA 156 N -1.27 1.60 0.21 -1.46 0.00 -1.05 -4.81 121.76 114.96 3fed s ALA 156 Ca 0.62 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 3fed s ALA 156 Cb -0.66 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.02 3fed s ALA 156 CO 0.58 -2.49 0.63 -0.65 0.00 0.00 0.00 175.76 173.83 3fed s GLN 157 N -4.74 4.04 0.00 0.00 -0.21 -1.26 -4.13 119.66 113.35 3fed s GLN 157 Ca 0.65 0.60 0.00 0.00 0.02 0.00 0.00 55.36 56.62 3fed s GLN 157 Cb -0.21 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.01 3fed s GLN 157 CO 0.58 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.54 3fed n GLY 158 N 0.45 0.80 2.46 3.09 0.00 -0.20 -4.78 105.19 107.01 3fed n GLY 158 Ca -0.02 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 3fed n GLY 158 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3fed n MET 159 N -0.58 1.79 -2.12 1.61 0.00 -1.26 -1.53 117.12 115.03 3fed n MET 159 Ca 0.00 -3.93 -0.35 0.00 0.00 0.00 0.00 57.70 53.42 3fed n MET 159 Cb 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 33.22 31.35 3fed n MET 159 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3fed s PRO 160 N -2.73 3.16 -0.01 3.17 0.04 -1.22 -4.74 135.00 132.67 3fed s PRO 160 Ca 0.43 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.13 3fed s PRO 160 Cb 0.31 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.88 3fed s PRO 160 CO -0.10 -1.01 -0.05 -2.00 0.04 0.00 0.00 177.00 173.88 3fed s GLU 161 N -3.40 0.48 -0.00 4.56 2.12 -1.26 -1.14 118.70 120.06 3fed s GLU 161 Ca 0.73 -0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 3fed s GLU 161 Cb -0.25 -0.48 0.01 0.00 0.26 0.00 0.00 34.13 33.66 3fed s GLU 161 CO 0.31 0.07 0.07 0.41 -0.54 0.00 0.00 175.26 175.58 3fed n GLY 162 N 3.19 0.43 3.81 -1.50 0.00 -0.33 -4.95 105.19 105.84 3fed n GLY 162 Ca -0.16 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3fed n GLY 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fed s ASP 163 N -1.15 6.52 -0.10 1.61 1.01 -1.26 -1.21 116.67 122.08 3fed s ASP 163 Ca 0.02 1.78 -0.12 0.00 0.71 0.00 0.00 52.55 54.94 3fed s ASP 163 Cb -0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3fed s ASP 163 CO -0.00 -0.65 0.27 -0.22 0.21 0.00 0.00 175.17 174.78 3fed s LEU 164 N -3.58 4.36 -0.05 1.23 2.96 -1.26 -1.27 118.68 121.06 3fed s LEU 164 Ca 0.64 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 55.20 3fed s LEU 164 Cb -0.13 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3fed s LEU 164 CO 0.21 0.27 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.68 3fed s VAL 165 N -0.47 1.20 -0.14 1.68 1.01 -0.38 -2.79 120.40 120.52 3fed s VAL 165 Ca 0.18 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3fed s VAL 165 Cb -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3fed s VAL 165 CO 0.07 0.36 0.71 -0.47 0.00 0.00 0.00 175.10 175.77 3fed s TYR 166 N 0.40 3.46 -0.17 5.22 5.04 -0.18 -0.85 117.35 130.27 3fed s TYR 166 Ca -0.10 1.13 0.16 0.00 -2.44 0.00 0.00 57.07 55.82 3fed s TYR 166 Cb -0.14 -2.86 0.35 0.00 0.35 0.00 0.00 41.96 39.67 3fed s TYR 166 CO 0.03 -0.10 1.20 1.33 -1.34 0.00 0.00 175.55 176.67 3fed n VAL 167 N 4.37 2.04 0.00 3.14 0.24 -0.47 -4.83 118.33 122.83 3fed n VAL 167 Ca 0.00 -2.58 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 3fed n VAL 167 Cb 0.50 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 3fed n VAL 167 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fed n ASN 168 N -1.27 0.00 -0.70 -1.34 5.15 -1.26 -1.46 115.26 114.38 3fed n ASN 168 Ca 0.18 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.23 3fed n ASN 168 Cb 0.69 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.16 3fed n ASN 168 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3fed n TYR 169 N 14.00 0.46 -2.85 1.20 4.01 -1.26 -0.68 117.16 132.04 3fed n TYR 169 Ca 0.00 -0.23 -0.20 0.00 -0.16 0.00 0.00 57.90 57.31 3fed n TYR 169 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3fed n TYR 169 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fed n ALA 170 N 0.61 -0.89 -1.73 -0.72 0.00 -0.53 -4.81 120.51 112.43 3fed n ALA 170 Ca 0.14 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 3fed n ALA 170 Cb 0.34 -2.75 0.07 0.00 0.00 0.00 0.00 19.45 17.11 3fed n ALA 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fed s ARG 171 N -5.50 2.50 0.23 0.00 0.52 -1.26 -4.37 118.95 111.07 3fed s ARG 171 Ca 0.20 0.54 -0.06 0.00 -0.52 0.00 0.00 55.73 55.89 3fed s ARG 171 Cb -0.10 -1.97 0.40 0.00 0.52 0.00 0.00 34.95 33.80 3fed s ARG 171 CO 0.25 -1.31 1.75 1.15 0.02 0.00 0.00 175.30 177.16 3fed h THR 172 N -0.86 0.74 0.00 0.02 2.02 -1.93 -0.69 112.91 112.20 3fed h THR 172 Ca -0.46 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 3fed h THR 172 Cb 1.26 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3fed h THR 172 CO 0.62 0.09 -0.36 1.05 0.37 0.00 0.00 175.52 177.29 3fed h GLU 173 N 0.50 0.00 -0.32 6.66 9.09 -1.99 -0.57 114.58 127.95 3fed h GLU 173 Ca 0.38 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.63 3fed h GLU 173 Cb 0.51 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3fed h GLU 173 CO -0.34 0.36 -0.43 -0.44 0.05 0.00 0.00 179.01 178.21 3fed h ASP 174 N 0.00 0.94 0.28 3.06 3.32 -1.50 -1.57 116.42 120.95 3fed h ASP 174 Ca -0.00 -0.50 -0.14 0.00 0.02 0.00 0.00 57.03 56.41 3fed h ASP 174 Cb 0.75 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fed h ASP 174 CO 0.05 1.25 -0.55 -0.26 -1.72 0.00 0.00 179.24 178.01 3fed h PHE 175 N 0.66 0.36 -0.42 4.55 -1.00 -1.10 -1.12 116.94 118.86 3fed h PHE 175 Ca 0.04 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3fed h PHE 175 Cb 1.03 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3fed h PHE 175 CO 0.07 0.78 0.27 0.74 -1.61 0.00 0.00 178.31 178.56 3fed h PHE 176 N 0.22 0.54 -0.62 -0.55 0.04 -1.08 -2.10 116.94 113.39 3fed h PHE 176 Ca 0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3fed h PHE 176 Cb 1.04 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 3fed h PHE 176 CO 0.02 0.35 0.22 -0.22 -0.60 0.00 0.00 178.31 178.08 3fed h LYS 177 N 0.57 0.94 -0.27 1.51 3.64 -0.93 0.11 116.57 122.14 3fed h LYS 177 Ca 0.15 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3fed h LYS 177 Cb -0.05 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3fed h LYS 177 CO -0.03 0.82 0.08 -0.07 -2.27 0.00 0.00 179.45 177.98 3fed h LEU 178 N 0.87 0.07 0.16 5.20 3.38 -1.02 -0.64 115.31 123.34 3fed h LEU 178 Ca 0.20 0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.90 3fed h LEU 178 Cb 0.25 0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.06 3fed h LEU 178 CO -0.01 0.07 -1.33 -0.08 0.09 0.00 0.00 178.44 177.18 3fed h GLU 179 N 0.19 0.52 0.00 1.13 4.81 -1.23 -1.10 114.58 118.90 3fed h GLU 179 Ca 0.12 -0.80 -0.07 0.00 -0.13 0.00 0.00 59.36 58.48 3fed h GLU 179 Cb 0.11 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3fed h GLU 179 CO -0.14 1.37 -1.77 0.54 -0.73 0.00 0.00 179.01 178.28 3fed n ARG 180 N -3.71 0.65 0.00 1.92 1.74 0.37 -4.42 116.66 113.20 3fed n ARG 180 Ca -0.14 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3fed n ARG 180 Cb 1.04 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3fed n ARG 180 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3fed n GLU 181 N -2.50 2.35 0.00 5.56 1.02 -0.43 -4.87 120.64 121.78 3fed n GLU 181 Ca -0.08 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.15 3fed n GLU 181 Cb 0.69 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 31.12 3fed n GLU 181 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fed n MET 182 N -2.04 1.32 -1.25 3.49 2.81 -0.38 -4.98 117.12 116.08 3fed n MET 182 Ca 0.00 -0.66 -0.06 0.00 -1.81 0.00 0.00 57.70 55.17 3fed n MET 182 Cb 0.45 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 3fed n MET 182 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fed n GLY 183 N 1.33 0.83 3.75 3.03 0.00 -0.99 -5.01 105.19 108.12 3fed n GLY 183 Ca 0.07 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3fed n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fed s ILE 184 N -2.25 5.38 -0.26 -0.61 -1.09 -0.45 -5.03 121.20 116.89 3fed s ILE 184 Ca 0.00 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.56 3fed s ILE 184 Cb 0.00 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3fed s ILE 184 CO 0.00 0.47 -0.02 0.21 -1.23 0.00 0.00 174.94 174.38 3fed s ASN 185 N 0.10 4.59 0.00 3.58 3.84 -1.26 -3.93 114.94 121.86 3fed s ASN 185 Ca 0.09 -0.83 0.30 0.00 0.21 0.00 0.00 52.86 52.63 3fed s ASN 185 Cb -0.11 -1.73 1.55 0.00 -0.55 0.00 0.00 41.25 40.40 3fed s ASN 185 CO -0.01 -0.15 2.04 0.00 -2.79 0.00 0.00 177.10 176.19 3fed s THR 187 N -2.29 2.81 0.00 0.00 2.01 -1.17 -1.54 115.64 115.45 3fed s THR 187 Ca 0.36 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3fed s THR 187 Cb 0.21 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.64 3fed s THR 187 CO 0.42 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 3fed n GLY 188 N 4.32 0.74 3.94 4.40 0.00 -0.42 -4.95 105.19 113.22 3fed n GLY 188 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3fed n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fed s LYS 189 N -0.13 3.48 -0.14 1.61 -0.14 -0.59 -4.63 119.74 119.20 3fed s LYS 189 Ca 0.00 -0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 53.91 3fed s LYS 189 Cb 0.00 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.27 3fed s LYS 189 CO 0.00 0.40 0.64 0.42 -0.76 0.00 0.00 175.35 176.05 3fed s ILE 190 N -1.93 5.05 0.07 2.17 1.01 -0.40 -0.73 121.20 126.44 3fed s ILE 190 Ca 0.37 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.31 3fed s ILE 190 Cb -0.10 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3fed s ILE 190 CO 0.30 0.19 0.14 0.68 0.00 0.00 0.00 174.94 176.24 3fed s VAL 191 N 1.34 4.91 -0.12 2.92 -7.23 -0.56 -1.25 120.40 120.42 3fed s VAL 191 Ca 0.32 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.91 3fed s VAL 191 Cb -0.16 -3.38 0.01 0.00 0.56 0.00 0.00 36.38 33.40 3fed s VAL 191 CO 0.13 0.13 -0.21 -0.51 -0.31 0.00 0.00 175.10 174.33 3fed s ILE 192 N -1.45 1.93 0.02 -0.62 2.07 -0.03 -0.57 121.20 122.55 3fed s ILE 192 Ca 0.32 -0.91 0.07 0.00 -1.41 0.00 0.00 60.65 58.71 3fed s ILE 192 Cb -0.13 -1.71 -0.02 0.00 0.13 0.00 0.00 42.46 40.73 3fed s ILE 192 CO 0.25 0.53 -0.20 0.00 -1.91 0.00 0.00 174.94 173.61 3fed s ALA 193 N 0.74 1.67 0.22 1.50 0.00 -0.06 -1.37 121.76 124.47 3fed s ALA 193 Ca -0.10 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 3fed s ALA 193 Cb -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 3fed s ALA 193 CO 0.01 0.39 0.87 -0.98 0.00 0.00 0.00 175.76 176.05 3fed s ARG 194 N -0.84 4.69 0.79 0.00 1.70 0.15 -1.64 118.95 123.80 3fed s ARG 194 Ca 0.07 1.32 -0.13 0.00 -0.47 0.00 0.00 55.73 56.52 3fed s ARG 194 Cb -0.08 -3.20 0.07 0.00 -0.57 0.00 0.00 34.95 31.17 3fed s ARG 194 CO 0.01 0.50 1.19 0.71 -1.08 0.00 0.00 175.30 176.63 3fed s TYR 195 N -1.24 1.93 0.00 5.89 4.12 0.40 -4.40 117.35 124.05 3fed s TYR 195 Ca 0.40 1.65 0.00 0.00 0.02 0.00 0.00 57.07 59.15 3fed s TYR 195 Cb -0.24 -3.43 0.00 0.00 -1.52 0.00 0.00 41.96 36.77 3fed s TYR 195 CO 0.28 -2.67 0.00 0.41 0.02 0.00 0.00 175.55 173.59 3fed n GLY 196 N 0.30 3.18 4.65 0.71 0.00 -1.26 -4.74 105.19 108.03 3fed n GLY 196 Ca 0.13 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3fed n GLY 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fed n LYS 197 N -1.09 0.00 -4.15 1.61 4.76 -1.26 -4.83 118.16 113.21 3fed n LYS 197 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3fed n LYS 197 Cb 0.00 -0.06 -0.10 0.00 -1.84 0.00 0.00 35.03 33.03 3fed n LYS 197 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3fed s ILE 198 N 0.00 0.27 0.33 -0.18 -4.36 -1.26 -5.05 121.20 110.94 3fed s ILE 198 Ca 0.00 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.21 3fed s ILE 198 Cb 0.00 -1.87 -0.12 0.00 1.25 0.00 0.00 42.46 41.72 3fed s ILE 198 CO 0.00 -0.66 1.44 0.33 0.24 0.00 0.00 174.94 176.29 3fed n PHE 199 N -0.05 2.63 0.22 1.37 7.35 -1.26 -4.90 117.46 122.82 3fed n PHE 199 Ca -0.09 0.43 0.07 0.00 -0.76 0.00 0.00 57.45 57.10 3fed n PHE 199 Cb 0.63 -2.50 0.53 0.00 0.35 0.00 0.00 39.48 38.48 3fed n PHE 199 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 3fed h ARG 200 N 3.46 0.00 -0.15 -4.13 0.11 -1.95 -0.94 114.38 110.79 3fed h ARG 200 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 3fed h ARG 200 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3fed h ARG 200 CO 0.69 0.23 -0.14 0.78 0.10 0.00 0.00 179.97 181.63 3fed h GLY 201 N 0.93 0.25 1.35 0.08 0.00 -1.80 -1.90 103.07 101.98 3fed h GLY 201 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3fed h GLY 201 CO 0.03 0.15 -0.04 3.43 0.00 0.00 0.00 176.54 180.11 3fed h ASN 202 N 0.22 0.76 -0.63 0.19 4.21 -1.46 -1.21 115.58 117.67 3fed h ASN 202 Ca 0.05 -0.20 0.02 0.00 1.21 0.00 0.00 56.30 57.37 3fed h ASN 202 Cb 0.39 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.35 3fed h ASN 202 CO 0.02 0.85 0.40 0.11 -1.29 0.00 0.00 177.43 177.53 3fed h LYS 203 N 0.73 0.79 -0.39 0.81 1.57 -1.25 -0.77 116.57 118.05 3fed h LYS 203 Ca 0.14 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3fed h LYS 203 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3fed h LYS 203 CO 0.03 0.52 -0.26 0.28 -0.57 0.00 0.00 179.45 179.44 3fed h VAL 204 N 0.81 1.28 -0.59 0.50 2.07 -1.15 -0.17 116.25 118.99 3fed h VAL 204 Ca 0.24 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3fed h VAL 204 Cb -0.05 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3fed h VAL 204 CO -0.07 0.48 0.33 0.50 0.02 0.00 0.00 177.57 178.82 3fed h LYS 205 N 0.69 0.60 -0.60 1.57 3.64 -1.04 -0.24 116.57 121.18 3fed h LYS 205 Ca 0.08 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3fed h LYS 205 Cb 0.84 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3fed h LYS 205 CO 0.07 0.40 0.09 -0.91 -2.27 0.00 0.00 179.45 176.84 3fed h ASN 206 N 0.62 0.96 -0.23 4.20 2.35 -0.92 -1.44 115.58 121.12 3fed h ASN 206 Ca 0.26 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3fed h ASN 206 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3fed h ASN 206 CO -0.16 0.98 -0.10 0.00 -1.65 0.00 0.00 177.43 176.50 3fed h ALA 207 N 1.02 1.16 -0.47 -0.83 0.00 -0.64 -1.56 119.26 117.93 3fed h ALA 207 Ca 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fed h ALA 207 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fed h ALA 207 CO 0.01 0.54 0.17 0.52 0.00 0.00 0.00 179.25 180.49 3fed h MET 208 N 0.57 0.72 0.00 0.00 2.86 -0.77 -1.63 114.93 116.68 3fed h MET 208 Ca 0.10 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3fed h MET 208 Cb 0.51 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3fed h MET 208 CO 0.03 0.67 -0.19 -0.07 1.06 0.00 0.00 176.91 178.41 3fed h LEU 209 N 0.63 0.00 -0.20 1.22 3.38 -0.93 -1.69 115.31 117.71 3fed h LEU 209 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fed h LEU 209 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fed h LEU 209 CO -0.01 0.19 -0.05 0.00 0.09 0.00 0.00 178.44 178.66 3fed n ALA 210 N -2.47 2.67 -0.45 1.53 0.00 -0.62 -4.92 120.51 116.26 3fed n ALA 210 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3fed n ALA 210 Cb 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fed n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fed n GLY 211 N 1.21 0.77 3.73 0.00 0.00 -0.63 -3.07 105.19 107.20 3fed n GLY 211 Ca 0.17 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3fed n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fed s ALA 212 N -2.00 2.17 -1.93 4.61 0.00 -0.65 -1.30 121.76 122.67 3fed s ALA 212 Ca 0.00 0.71 0.20 0.00 0.00 0.00 0.00 51.96 52.87 3fed s ALA 212 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3fed s ALA 212 CO 0.00 -1.77 1.02 0.44 0.00 0.00 0.00 175.76 175.45 3fed n ILE 213 N -2.82 0.00 -3.59 0.00 -5.35 0.09 -4.69 119.36 103.00 3fed n ILE 213 Ca 0.12 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.22 3fed n ILE 213 Cb 0.51 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.64 3fed n ILE 213 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fed s GLY 214 N -2.17 -0.24 -0.04 3.28 0.00 -1.25 -4.24 107.32 102.65 3fed s GLY 214 Ca 0.18 1.82 -0.00 0.00 0.00 0.00 0.00 44.72 46.71 3fed s GLY 214 CO 0.47 0.70 0.02 -1.50 0.00 0.00 0.00 173.10 172.79 3fed s ILE 215 N -2.02 0.12 -0.17 0.90 2.07 -0.30 -1.50 121.20 120.30 3fed s ILE 215 Ca 0.07 0.17 -0.13 0.00 -1.41 0.00 0.00 60.65 59.35 3fed s ILE 215 Cb -0.01 -0.26 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 3fed s ILE 215 CO -0.05 0.16 0.25 -0.63 -1.91 0.00 0.00 174.94 172.76 3fed s ILE 216 N 1.37 5.34 -0.07 2.00 1.01 0.26 -2.47 121.20 128.65 3fed s ILE 216 Ca -0.05 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.05 3fed s ILE 216 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3fed s ILE 216 CO -0.03 0.41 -0.04 -0.76 0.00 0.00 0.00 174.94 174.52 3fed s LEU 217 N 0.42 3.34 0.08 2.97 1.43 -0.49 -0.88 118.68 125.56 3fed s LEU 217 Ca 0.14 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3fed s LEU 217 Cb -0.12 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3fed s LEU 217 CO 0.02 0.36 0.09 -0.72 0.23 0.00 0.00 176.35 176.33 3fed s TYR 218 N -0.86 0.42 -0.46 0.29 -0.85 -0.65 -0.83 117.35 114.40 3fed s TYR 218 Ca 0.13 -0.89 -0.16 0.00 -0.52 0.00 0.00 57.07 55.63 3fed s TYR 218 Cb -0.11 -0.25 0.05 0.00 0.38 0.00 0.00 41.96 42.03 3fed s TYR 218 CO 0.03 -0.49 0.43 -1.12 -1.52 0.00 0.00 175.55 172.88 3fed s SER 219 N -2.92 6.16 0.20 -0.18 0.01 -1.18 -0.45 113.70 115.34 3fed s SER 219 Ca 0.09 -1.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.01 3fed s SER 219 Cb 0.06 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.00 3fed s SER 219 CO -0.08 -0.65 0.84 -0.62 0.41 0.00 0.00 173.24 173.14 3fed s ASP 220 N 2.34 7.48 0.64 2.44 2.15 -1.26 -3.98 116.67 126.48 3fed s ASP 220 Ca 0.07 1.76 0.39 0.00 0.43 0.00 0.00 52.55 55.20 3fed s ASP 220 Cb -0.21 -2.54 2.17 0.00 -0.30 0.00 0.00 42.92 42.04 3fed s ASP 220 CO 0.09 0.18 2.30 -0.65 -0.17 0.00 0.00 175.17 176.92 3fed h PRO 221 N 4.20 0.00 -0.43 4.34 0.11 -1.93 0.53 132.00 138.82 3fed h PRO 221 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3fed h PRO 221 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3fed h PRO 221 CO 0.67 0.00 0.29 0.00 -0.21 0.00 0.00 178.00 178.75 3fed h ALA 222 N 1.94 1.99 0.00 -0.75 0.00 -1.91 -1.57 119.26 118.95 3fed h ALA 222 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fed h ALA 222 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fed h ALA 222 CO -0.00 -0.07 -1.60 -0.25 0.00 0.00 0.00 179.25 177.33 3fed n ASP 223 N -4.47 1.24 -0.47 0.00 8.00 0.07 -4.57 116.55 116.35 3fed n ASP 223 Ca 0.06 -0.11 0.03 0.00 0.71 0.00 0.00 54.79 55.47 3fed n ASP 223 Cb 0.27 1.64 0.04 0.00 -0.02 0.00 0.00 41.12 43.05 3fed n ASP 223 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fed n TYR 224 N -1.97 0.00 -3.65 1.24 4.02 -0.54 -1.22 117.16 115.05 3fed n TYR 224 Ca -0.02 -0.33 -0.28 0.00 -0.01 0.00 0.00 57.90 57.25 3fed n TYR 224 Cb 0.40 -0.09 -0.16 0.00 -0.02 0.00 0.00 39.34 39.47 3fed n TYR 224 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3fed s PHE 225 N -0.81 0.84 0.33 -0.72 5.36 -0.60 -3.55 117.98 118.83 3fed s PHE 225 Ca 0.12 -1.03 -0.28 0.00 -0.96 0.00 0.00 56.93 54.78 3fed s PHE 225 Cb 0.11 -1.12 -0.10 0.00 -0.34 0.00 0.00 43.02 41.57 3fed s PHE 225 CO -0.01 -0.75 1.21 0.00 -1.46 0.00 0.00 175.22 174.22 3fed s ALA 226 N 1.92 3.40 0.39 11.12 0.00 -1.26 -4.76 121.76 132.56 3fed s ALA 226 Ca 0.06 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 3fed s ALA 226 Cb -0.17 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3fed s ALA 226 CO -0.23 -0.46 1.39 -1.25 0.00 0.00 0.00 175.76 175.21 3fed s PRO 227 N -1.78 4.02 -1.42 0.00 0.04 -1.26 -3.10 135.00 131.49 3fed s PRO 227 Ca 0.49 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.85 3fed s PRO 227 Cb -0.35 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3fed s PRO 227 CO 0.46 -0.53 0.36 -0.85 0.04 0.00 0.00 177.00 176.48 3fed n GLU 228 N 0.28 -3.48 -5.08 4.56 0.00 -1.26 -4.99 120.64 110.66 3fed n GLU 228 Ca 0.02 0.75 -0.28 0.00 0.00 0.00 0.00 57.16 57.65 3fed n GLU 228 Cb 0.41 -5.49 -0.16 0.00 0.00 0.00 0.00 31.44 26.21 3fed n GLU 228 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3fed s VAL 229 N -2.98 1.75 0.49 3.84 1.01 -1.18 -5.14 120.40 118.18 3fed s VAL 229 Ca 0.22 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3fed s VAL 229 Cb -0.11 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 3fed s VAL 229 CO 0.27 0.49 0.97 -1.10 0.00 0.00 0.00 175.10 175.73 3fed s GLN 230 N -0.55 4.03 0.68 2.72 -0.21 -1.26 -4.77 119.66 120.30 3fed s GLN 230 Ca 0.09 0.99 -0.15 0.00 0.02 0.00 0.00 55.36 56.30 3fed s GLN 230 Cb -0.09 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.78 3fed s GLN 230 CO -0.01 -0.19 1.15 -1.25 -2.12 0.00 0.00 175.29 172.87 3fed s PRO 231 N -3.80 2.58 0.24 2.91 0.04 -1.26 -1.99 135.00 133.71 3fed s PRO 231 Ca 0.60 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 3fed s PRO 231 Cb -0.10 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 3fed s PRO 231 CO 0.26 -1.45 1.15 0.98 0.04 0.00 0.00 177.00 177.98 3fed n TYR 232 N -2.47 1.46 1.17 0.56 9.36 -0.44 -1.59 117.16 125.22 3fed n TYR 232 Ca 0.12 0.64 0.12 0.00 3.32 0.00 0.00 57.90 62.10 3fed n TYR 232 Cb 0.51 -2.30 0.28 0.00 -0.63 0.00 0.00 39.34 37.20 3fed n TYR 232 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fed n PRO 233 N 1.35 0.82 0.16 2.98 -0.04 -1.26 -4.79 135.00 134.22 3fed n PRO 233 Ca 0.12 -0.54 0.03 0.00 -0.04 0.00 0.00 63.50 63.07 3fed n PRO 233 Cb 0.29 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.45 3fed n PRO 233 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3fed h LYS 234 N 1.32 0.00 0.00 0.54 1.57 -1.60 -3.46 116.57 114.94 3fed h LYS 234 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fed h LYS 234 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3fed h LYS 234 CO 0.00 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 3fed n GLY 235 N 0.59 3.46 1.59 3.86 0.00 -0.72 -4.82 105.19 109.16 3fed n GLY 235 Ca 0.00 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.69 3fed n GLY 235 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3fed n TRP 236 N 0.00 1.56 -2.50 1.61 4.27 -1.07 -2.19 117.44 119.12 3fed n TRP 236 Ca 0.00 -0.65 -0.26 0.00 -3.89 0.00 0.00 57.50 52.71 3fed n TRP 236 Cb 0.00 -0.30 0.03 0.00 -1.36 0.00 0.00 31.31 29.68 3fed n TRP 236 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 3fed s ASN 237 N -0.94 5.62 -0.13 -0.67 0.01 -0.84 -4.39 114.94 113.59 3fed s ASN 237 Ca 0.51 0.62 -0.29 0.00 -0.71 0.00 0.00 52.86 52.99 3fed s ASN 237 Cb 0.34 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 3fed s ASN 237 CO 0.22 -1.01 1.02 -0.22 -1.51 0.00 0.00 177.10 175.60 3fed s LEU 238 N -4.91 4.22 0.75 0.60 2.96 -1.23 -1.32 118.68 119.74 3fed s LEU 238 Ca 0.53 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.84 3fed s LEU 238 Cb -0.10 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.08 3fed s LEU 238 CO 0.44 -0.50 1.10 -2.84 -1.32 0.00 0.00 176.35 173.22 3fed s PRO 239 N 2.28 2.34 0.00 0.98 0.02 -1.26 -4.86 135.00 134.50 3fed s PRO 239 Ca 0.48 1.23 0.18 0.00 0.02 0.00 0.00 61.00 62.90 3fed s PRO 239 Cb -0.18 -1.90 0.79 0.00 0.02 0.00 0.00 34.50 33.23 3fed s PRO 239 CO 0.16 -1.58 1.56 0.41 -0.33 0.00 0.00 177.00 177.22 3fed n GLY 240 N -1.02 -1.06 0.13 0.52 0.00 -1.26 -2.50 105.19 100.01 3fed n GLY 240 Ca 0.09 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3fed n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fed n THR 241 N -1.45 0.00 -3.69 2.61 -2.24 -1.26 -1.48 114.28 106.77 3fed n THR 241 Ca 0.05 -0.07 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 3fed n THR 241 Cb 0.19 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 3fed n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fed s ALA 242 N -2.79 3.79 0.15 6.98 0.00 -1.04 -4.73 121.76 124.13 3fed s ALA 242 Ca 0.15 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 51.79 3fed s ALA 242 Cb 0.18 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3fed s ALA 242 CO 0.67 0.56 -0.26 0.00 0.00 0.00 0.00 175.76 176.73 3fed s ALA 243 N -1.07 2.42 -0.28 0.00 0.00 -1.26 -3.90 121.76 117.67 3fed s ALA 243 Ca 0.20 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 3fed s ALA 243 Cb -0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3fed s ALA 243 CO 0.09 0.49 0.66 -1.14 0.00 0.00 0.00 175.76 175.86 3fed s GLN 244 N -2.30 4.00 0.84 0.00 0.74 -1.26 -4.47 119.66 117.20 3fed s GLN 244 Ca 0.16 0.46 -0.12 0.00 0.05 0.00 0.00 55.36 55.91 3fed s GLN 244 Cb -0.09 -3.69 0.09 0.00 1.10 0.00 0.00 33.01 30.42 3fed s GLN 244 CO 0.07 -0.52 1.11 1.03 -0.55 0.00 0.00 175.29 176.43 3fed s ARG 245 N 2.62 1.75 0.00 1.67 0.52 -0.81 -4.78 118.95 119.92 3fed s ARG 245 Ca 0.27 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 3fed s ARG 245 Cb -0.15 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3fed s ARG 245 CO 0.10 -1.83 0.00 0.41 0.02 0.00 0.00 175.30 174.01 3fed n GLY 246 N -2.13 3.73 3.81 -3.53 0.00 -1.22 -4.86 105.19 101.00 3fed n GLY 246 Ca 0.07 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3fed n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fed s ASN 247 N 0.00 5.57 -0.17 1.61 2.20 -1.26 -2.88 114.94 120.02 3fed s ASN 247 Ca 0.00 1.72 0.15 0.00 -0.94 0.00 0.00 52.86 53.79 3fed s ASN 247 Cb 0.00 -2.52 0.43 0.00 -2.00 0.00 0.00 41.25 37.17 3fed s ASN 247 CO 0.00 -1.31 1.20 1.33 -2.94 0.00 0.00 177.10 175.38 3fed n VAL 248 N -2.57 1.66 -1.41 3.54 0.24 -0.74 -4.34 118.33 114.70 3fed n VAL 248 Ca 0.08 -2.81 -0.30 0.00 -2.04 0.00 0.00 64.34 59.27 3fed n VAL 248 Cb 0.53 0.03 0.09 0.00 -1.47 0.00 0.00 33.84 33.03 3fed n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fed s LEU 249 N -2.52 2.77 -0.61 1.34 1.43 -1.26 -4.57 118.68 115.26 3fed s LEU 249 Ca 0.38 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 55.09 3fed s LEU 249 Cb 0.38 -4.21 0.21 0.00 0.03 0.00 0.00 46.19 42.60 3fed s LEU 249 CO -0.08 -1.99 0.59 0.59 0.23 0.00 0.00 176.35 175.69 3fed n ASN 250 N -3.47 2.61 0.08 2.29 3.02 -0.34 -4.54 115.26 114.91 3fed n ASN 250 Ca 0.08 -3.16 -0.05 0.00 -0.03 0.00 0.00 54.58 51.42 3fed n ASN 250 Cb 0.55 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 3fed n ASN 250 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3fed h LEU 251 N 4.75 0.00 -1.34 3.41 3.38 -1.86 -3.35 115.31 120.29 3fed h LEU 251 Ca 0.17 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.65 3fed h LEU 251 Cb 0.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3fed h LEU 251 CO 0.70 0.88 -0.82 0.59 0.09 0.00 0.00 178.44 179.88 3fed n ASN 252 N -3.34 -2.88 0.00 -0.43 3.02 -1.26 -1.91 115.26 108.46 3fed n ASN 252 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 3fed n ASN 252 Cb 0.88 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3fed n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fed n GLY 253 N -1.66 0.75 0.20 7.41 0.00 -1.26 -4.19 105.19 106.43 3fed n GLY 253 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3fed n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fed h ALA 254 N 0.00 0.93 0.00 4.61 0.00 -1.73 -3.47 119.26 119.60 3fed h ALA 254 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fed h ALA 254 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fed h ALA 254 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3fed n GLY 255 N 0.46 -0.37 3.57 0.00 0.00 -1.26 -4.33 105.19 103.27 3fed n GLY 255 Ca 0.01 -1.18 -0.53 0.00 0.00 0.00 0.00 46.02 44.32 3fed n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fed n ASP 256 N 0.98 1.27 0.26 1.61 2.03 -1.26 -4.82 116.55 116.63 3fed n ASP 256 Ca 0.00 1.13 0.17 0.00 0.52 0.00 0.00 54.79 56.60 3fed n ASP 256 Cb 0.00 -1.13 0.90 0.00 -0.72 0.00 0.00 41.12 40.17 3fed n ASP 256 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3fed h PRO 257 N 4.18 0.00 -0.00 -0.67 0.11 -1.87 -2.56 132.00 131.19 3fed h PRO 257 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fed h PRO 257 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3fed h PRO 257 CO 0.75 0.00 -0.56 1.28 -0.21 0.00 0.00 178.00 179.26 3fed n LEU 258 N -3.74 1.02 -2.64 2.35 4.77 -1.26 -1.04 117.00 116.46 3fed n LEU 258 Ca -0.01 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.55 3fed n LEU 258 Cb 0.19 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3fed n LEU 258 CO 0.26 0.22 -0.04 0.35 -1.33 0.00 0.00 177.39 176.85 3fed n THR 259 N -1.03 1.33 -1.70 -5.08 -2.24 -0.96 -1.04 114.28 103.56 3fed n THR 259 Ca 0.07 -3.36 -0.43 0.00 -2.27 0.00 0.00 64.05 58.07 3fed n THR 259 Cb 0.36 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3fed n THR 259 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fed n PRO 260 N -0.27 2.67 0.00 -0.78 -0.04 -1.25 -2.02 135.00 133.31 3fed n PRO 260 Ca 0.15 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 3fed n PRO 260 Cb 0.80 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3fed n PRO 260 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fed n GLY 261 N 3.97 3.25 2.95 0.55 0.00 -1.26 -5.04 105.19 109.61 3fed n GLY 261 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3fed n GLY 261 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fed s TYR 262 N -2.97 0.22 0.41 1.61 2.02 -0.86 -4.96 117.35 112.83 3fed s TYR 262 Ca 0.00 -0.33 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 3fed s TYR 262 Cb 0.00 -0.15 -0.08 0.00 -0.40 0.00 0.00 41.96 41.33 3fed s TYR 262 CO 0.00 -0.11 1.19 -1.25 -1.57 0.00 0.00 175.55 173.81 3fed s PRO 263 N -0.91 3.99 -1.30 -1.71 0.04 -1.26 -4.82 135.00 129.04 3fed s PRO 263 Ca -0.09 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 3fed s PRO 263 Cb -0.06 -2.65 0.10 0.00 0.04 0.00 0.00 34.50 31.93 3fed s PRO 263 CO -0.01 -0.38 1.74 0.00 0.04 0.00 0.00 177.00 178.39 3fed n ALA 264 N -0.00 4.03 -2.78 8.56 0.00 -1.26 -4.84 120.51 124.21 3fed n ALA 264 Ca 0.05 -3.99 -0.15 0.00 0.00 0.00 0.00 53.44 49.34 3fed n ALA 264 Cb 0.46 -3.41 0.06 0.00 0.00 0.00 0.00 19.45 16.56 3fed n ALA 264 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fed n LYS 265 N 7.06 0.48 -0.17 0.00 4.76 -1.26 -1.66 118.16 127.36 3fed n LYS 265 Ca 0.46 -1.90 -0.05 0.00 -2.87 0.00 0.00 58.31 53.95 3fed n LYS 265 Cb 0.43 -0.28 0.14 0.00 -1.84 0.00 0.00 35.03 33.49 3fed n LYS 265 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3fed h GLU 266 N 0.00 0.94 -0.00 1.97 3.07 -1.95 -2.91 114.58 115.69 3fed h GLU 266 Ca -0.19 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3fed h GLU 266 Cb 0.80 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3fed h GLU 266 CO 0.24 0.85 -0.35 2.48 -1.40 0.00 0.00 179.01 180.82 3fed n TYR 267 N -4.25 0.00 -2.19 4.33 0.18 -1.26 -4.98 117.16 108.99 3fed n TYR 267 Ca 0.04 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.42 3fed n TYR 267 Cb 0.25 -0.24 -0.02 0.00 -0.38 0.00 0.00 39.34 38.95 3fed n TYR 267 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3fed s THR 268 N -2.83 2.89 0.31 -3.48 2.01 -1.10 -4.96 115.64 108.48 3fed s THR 268 Ca 0.16 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 3fed s THR 268 Cb 0.18 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 69.03 3fed s THR 268 CO 0.62 0.20 1.59 0.12 -0.69 0.00 0.00 174.62 176.45 3fed s PHE 269 N -1.17 2.69 -0.06 4.92 2.19 -1.26 -4.93 117.98 120.36 3fed s PHE 269 Ca 0.49 0.83 0.06 0.00 0.33 0.00 0.00 56.93 58.64 3fed s PHE 269 Cb -0.37 -4.08 -0.01 0.00 -1.31 0.00 0.00 43.02 37.24 3fed s PHE 269 CO 0.49 -3.56 -0.24 1.03 1.83 0.00 0.00 175.22 174.77 3fed s ARG 270 N -0.82 2.48 0.71 10.12 3.00 -1.26 -4.73 118.95 128.45 3fed s ARG 270 Ca 0.62 -0.85 -0.16 0.00 0.00 0.00 0.00 55.73 55.33 3fed s ARG 270 Cb -0.48 -2.08 0.01 0.00 0.00 0.00 0.00 34.95 32.40 3fed s ARG 270 CO 0.51 0.33 1.06 1.28 0.00 0.00 0.00 175.30 178.48 3fed n LEU 271 N 3.06 4.15 -4.74 2.53 4.77 -0.20 -4.96 117.00 121.61 3fed n LEU 271 Ca -0.18 0.70 -0.39 0.00 -0.03 0.00 0.00 56.01 56.12 3fed n LEU 271 Cb 0.52 -1.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.20 3fed n LEU 271 CO 0.26 -1.77 0.98 0.47 -1.33 0.00 0.00 177.39 175.99 3fed n ASP 272 N -1.83 2.74 0.00 -1.43 8.00 -1.26 -4.87 116.55 117.91 3fed n ASP 272 Ca 0.14 1.01 0.05 0.00 0.71 0.00 0.00 54.79 56.70 3fed n ASP 272 Cb 0.49 -1.57 0.45 0.00 -0.02 0.00 0.00 41.12 40.47 3fed n ASP 272 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fed h VAL 273 N 1.59 1.07 -0.02 2.53 2.07 -1.99 0.44 116.25 121.93 3fed h VAL 273 Ca -0.51 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3fed h VAL 273 Cb 1.30 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3fed h VAL 273 CO 0.58 0.09 0.10 -0.33 0.02 0.00 0.00 177.57 178.03 3fed h GLU 274 N 0.50 0.00 -0.33 1.57 3.07 -2.02 -0.88 114.58 116.50 3fed h GLU 274 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3fed h GLU 274 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3fed h GLU 274 CO -0.04 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.96 3fed n GLU 275 N -3.21 2.89 -1.75 2.33 1.02 0.13 -5.01 120.64 117.04 3fed n GLU 275 Ca -0.02 -2.20 -0.42 0.00 -0.02 0.00 0.00 57.16 54.50 3fed n GLU 275 Cb 0.18 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3fed n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fed n GLY 276 N 0.30 1.27 3.73 0.62 0.00 -0.34 -4.86 105.19 105.91 3fed n GLY 276 Ca 0.13 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 3fed n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fed s VAL 277 N -0.33 2.72 0.00 1.61 1.01 -0.21 -3.25 120.40 121.94 3fed s VAL 277 Ca 0.61 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3fed s VAL 277 Cb -0.50 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3fed s VAL 277 CO 0.53 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3fed n GLY 278 N 3.13 1.04 3.70 4.51 0.00 -1.26 -4.61 105.19 111.71 3fed n GLY 278 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3fed n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fed s ILE 279 N -3.32 4.67 0.75 -0.61 1.01 -1.20 -1.20 121.20 121.29 3fed s ILE 279 Ca 0.00 1.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.47 3fed s ILE 279 Cb 0.00 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.27 3fed s ILE 279 CO 0.00 0.07 1.08 -2.16 0.00 0.00 0.00 174.94 173.93 3fed s PRO 280 N 1.56 2.50 0.00 2.79 0.04 -1.26 -4.97 135.00 135.66 3fed s PRO 280 Ca 0.52 1.07 0.12 0.00 0.04 0.00 0.00 61.00 62.75 3fed s PRO 280 Cb -0.21 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.70 3fed s PRO 280 CO 0.23 -1.44 1.23 0.54 0.04 0.00 0.00 177.00 177.60 3fed n ARG 281 N -3.38 2.58 -4.27 4.56 1.74 -1.26 -4.02 116.66 112.61 3fed n ARG 281 Ca 0.08 -1.99 -0.16 0.00 -0.77 0.00 0.00 57.85 55.01 3fed n ARG 281 Cb 0.53 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 3fed n ARG 281 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3fed s ILE 282 N -1.00 1.35 0.52 0.55 -4.36 -1.26 -4.89 121.20 112.11 3fed s ILE 282 Ca 0.24 -1.96 -0.20 0.00 -0.26 0.00 0.00 60.65 58.47 3fed s ILE 282 Cb 0.13 -1.76 -0.07 0.00 1.25 0.00 0.00 42.46 42.01 3fed s ILE 282 CO 0.17 -0.59 1.11 -2.84 0.24 0.00 0.00 174.94 173.03 3fed s PRO 283 N -3.30 3.50 -0.05 0.37 0.02 -1.26 -2.54 135.00 131.74 3fed s PRO 283 Ca 0.15 1.57 -0.03 0.00 0.02 0.00 0.00 61.00 62.71 3fed s PRO 283 Cb -0.01 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.47 3fed s PRO 283 CO 0.03 -0.72 0.11 0.08 -0.33 0.00 0.00 177.00 176.18 3fed s VAL 284 N -1.80 -0.04 -0.07 3.83 1.01 -1.26 -1.14 120.40 120.94 3fed s VAL 284 Ca 0.71 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 3fed s VAL 284 Cb -0.22 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.00 3fed s VAL 284 CO 0.26 0.05 0.35 -2.28 0.00 0.00 0.00 175.10 173.48 3fed s HIS 285 N 0.81 -0.29 -0.02 5.22 5.04 -1.03 -4.32 115.29 120.70 3fed s HIS 285 Ca -0.06 0.60 0.00 0.00 -1.54 0.00 0.00 55.06 54.06 3fed s HIS 285 Cb -0.08 0.13 -0.04 0.00 0.04 0.00 0.00 32.58 32.63 3fed s HIS 285 CO -0.04 -0.32 0.02 -1.25 -2.34 0.00 0.00 174.74 170.82 3fed s PRO 286 N -0.68 2.89 0.12 2.88 0.04 -1.26 -1.39 135.00 137.61 3fed s PRO 286 Ca -0.08 -0.54 0.03 0.00 0.04 0.00 0.00 61.00 60.45 3fed s PRO 286 Cb -0.04 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 3fed s PRO 286 CO 0.03 0.64 -0.08 0.96 0.04 0.00 0.00 177.00 178.60 3fed s ILE 287 N -1.08 0.89 0.82 0.56 -4.36 -0.01 -4.78 121.20 113.23 3fed s ILE 287 Ca 0.19 -1.99 -0.08 0.00 -0.26 0.00 0.00 60.65 58.51 3fed s ILE 287 Cb -0.12 -1.78 0.15 0.00 1.25 0.00 0.00 42.46 41.96 3fed s ILE 287 CO 0.10 -0.80 1.13 -0.83 0.24 0.00 0.00 174.94 174.79 3fed s GLY 288 N -3.10 1.76 0.34 6.27 0.00 -1.25 -3.10 107.32 108.23 3fed s GLY 288 Ca 0.15 -1.38 0.24 0.00 0.00 0.00 0.00 44.72 43.73 3fed s GLY 288 CO -0.02 -0.75 1.69 0.10 0.00 0.00 0.00 173.10 174.11 3fed h TYR 289 N -1.00 0.00 -0.31 1.90 -0.00 -1.65 -1.39 116.97 114.52 3fed h TYR 289 Ca -0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.28 3fed h TYR 289 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.98 3fed h TYR 289 CO -0.50 0.00 0.04 -0.91 -0.00 0.00 0.00 178.16 176.80 3fed h ASN 290 N 0.00 0.49 -0.51 0.10 2.35 -1.62 -1.13 115.58 115.25 3fed h ASN 290 Ca 0.00 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 3fed h ASN 290 Cb 0.88 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3fed h ASN 290 CO 0.00 0.63 -0.09 0.44 -1.65 0.00 0.00 177.43 176.76 3fed h ASP 291 N 0.33 0.96 -0.68 5.81 3.32 -1.73 -3.09 116.42 121.33 3fed h ASP 291 Ca 0.09 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3fed h ASP 291 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3fed h ASP 291 CO 0.01 1.08 0.39 0.00 -1.72 0.00 0.00 179.24 179.00 3fed h ALA 292 N 0.91 1.39 -0.95 3.45 0.00 -1.14 -2.21 119.26 120.72 3fed h ALA 292 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fed h ALA 292 Cb 0.64 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3fed h ALA 292 CO 0.04 0.51 0.63 1.49 0.00 0.00 0.00 179.25 181.92 3fed h GLU 293 N 0.96 1.23 -0.68 0.00 4.81 -1.13 0.17 114.58 119.94 3fed h GLU 293 Ca 0.25 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3fed h GLU 293 Cb 0.00 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3fed h GLU 293 CO -0.04 0.81 0.14 0.82 -0.73 0.00 0.00 179.01 180.01 3fed h ILE 294 N 1.27 1.26 -0.04 2.32 1.08 -1.38 -1.03 117.51 120.99 3fed h ILE 294 Ca 0.36 -1.00 -0.14 0.00 -0.39 0.00 0.00 64.86 63.68 3fed h ILE 294 Cb -0.11 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3fed h ILE 294 CO -0.09 0.38 -0.62 -0.07 -0.69 0.00 0.00 178.15 177.06 3fed h LEU 295 N 1.03 0.17 0.00 1.44 3.38 -0.86 -3.27 115.31 117.21 3fed h LEU 295 Ca 0.21 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3fed h LEU 295 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3fed h LEU 295 CO 0.01 0.75 -0.98 -0.07 0.09 0.00 0.00 178.44 178.24 3fed h LEU 296 N 0.11 0.00 -0.62 1.67 3.38 -0.82 -3.40 115.31 115.63 3fed h LEU 296 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3fed h LEU 296 Cb 1.12 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 3fed h LEU 296 CO 0.09 0.58 0.20 -0.09 0.09 0.00 0.00 178.44 179.32 3fed h ARG 297 N 0.00 0.35 -0.61 1.13 2.43 -1.23 -2.14 114.38 114.30 3fed h ARG 297 Ca -0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3fed h ARG 297 Cb 1.52 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3fed h ARG 297 CO 0.06 0.23 0.00 0.66 -1.51 0.00 0.00 179.97 179.41 3fed n TYR 298 N -5.04 1.61 -1.74 2.20 4.01 -1.26 -4.64 117.16 112.29 3fed n TYR 298 Ca 0.09 -0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 56.76 3fed n TYR 298 Cb 0.30 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3fed n TYR 298 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fed n LEU 299 N 0.93 4.26 0.00 7.72 4.77 -0.81 -0.17 117.00 133.70 3fed n LEU 299 Ca 0.26 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 3fed n LEU 299 Cb 0.97 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3fed n LEU 299 CO 0.26 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3fed n GLY 300 N 1.44 3.34 7.00 -0.72 0.00 0.17 -4.67 105.19 111.76 3fed n GLY 300 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3fed n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fed n GLY 301 N 5.00 0.83 3.79 -0.02 0.00 -1.26 -0.92 105.19 112.61 3fed n GLY 301 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 3fed n GLY 301 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fed s ILE 302 N 0.00 3.65 0.82 -0.61 -4.36 -1.26 -4.80 121.20 114.64 3fed s ILE 302 Ca 0.00 1.13 -0.12 0.00 -0.26 0.00 0.00 60.65 61.40 3fed s ILE 302 Cb 0.00 -3.52 0.09 0.00 1.25 0.00 0.00 42.46 40.28 3fed s ILE 302 CO 0.00 -0.12 1.16 0.00 0.24 0.00 0.00 174.94 176.22 3fed s ALA 303 N -1.80 1.83 0.43 2.27 0.00 -1.26 -1.28 121.76 121.95 3fed s ALA 303 Ca 0.64 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 3fed s ALA 303 Cb -0.20 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 3fed s ALA 303 CO 0.25 -2.28 1.22 -0.35 0.00 0.00 0.00 175.76 174.59 3fed n PRO 304 N -3.55 1.78 0.18 0.00 -0.04 -1.23 -4.67 135.00 127.48 3fed n PRO 304 Ca 0.12 0.64 0.06 0.00 -0.04 0.00 0.00 63.50 64.28 3fed n PRO 304 Cb 0.51 -2.33 0.20 0.00 -0.04 0.00 0.00 33.50 31.85 3fed n PRO 304 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fed h PRO 305 N 1.90 0.00 -2.44 0.54 0.13 -1.92 -3.47 132.00 126.75 3fed h PRO 305 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 3fed h PRO 305 Cb 1.30 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 3fed h PRO 305 CO 0.59 0.34 0.47 0.16 -0.23 0.00 0.00 178.00 179.33 3fed s ASP 306 N -6.34 -0.15 0.60 1.44 1.47 -1.26 -5.04 116.67 107.39 3fed s ASP 306 Ca 0.03 -0.48 0.36 0.00 1.18 0.00 0.00 52.55 53.64 3fed s ASP 306 Cb 0.08 0.52 1.93 0.00 -0.34 0.00 0.00 42.92 45.12 3fed s ASP 306 CO 0.70 -0.98 2.23 0.11 0.68 0.00 0.00 175.17 177.91 3fed h LYS 307 N 2.00 0.00 0.00 2.11 1.57 -1.96 -2.24 116.57 118.05 3fed h LYS 307 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3fed h LYS 307 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3fed h LYS 307 CO 0.27 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.05 3fed n SER 308 N -3.41 0.05 0.00 0.86 3.41 -1.26 -1.75 113.62 111.51 3fed n SER 308 Ca -0.02 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 3fed n SER 308 Cb 0.14 -0.52 0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3fed n SER 308 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3fed n TRP 309 N -1.55 0.00 -3.54 7.33 7.02 -0.84 -4.92 117.44 120.95 3fed n TRP 309 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.15 3fed n TRP 309 Cb 0.19 -0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 28.85 3fed n TRP 309 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3fed s LYS 310 N -3.00 4.13 0.00 -0.99 1.02 -0.72 -4.88 119.74 115.31 3fed s LYS 310 Ca 0.10 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3fed s LYS 310 Cb 0.17 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 3fed s LYS 310 CO 0.77 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 3fed n GLY 311 N 4.04 0.88 0.35 -3.33 0.00 -1.26 -5.03 105.19 100.84 3fed n GLY 311 Ca -0.12 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.32 3fed n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fed n ALA 312 N -3.00 2.80 -1.49 4.61 0.00 -1.26 -4.93 120.51 117.24 3fed n ALA 312 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 3fed n ALA 312 Cb 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 19.45 19.08 3fed n ALA 312 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fed s LEU 313 N -1.55 3.12 -1.37 0.00 1.43 -1.26 -4.92 118.68 114.13 3fed s LEU 313 Ca 0.12 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 54.82 3fed s LEU 313 Cb 0.10 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 3fed s LEU 313 CO 0.26 -1.60 2.84 -3.20 0.23 0.00 0.00 176.35 174.88 3fed n ASN 314 N -3.21 8.21 -4.23 2.29 5.15 -1.26 -4.82 115.26 117.39 3fed n ASN 314 Ca 0.08 -2.76 -0.13 0.00 -0.60 0.00 0.00 54.58 51.17 3fed n ASN 314 Cb 0.53 -1.48 -0.10 0.00 -0.53 0.00 0.00 39.78 38.20 3fed n ASN 314 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3fed s VAL 315 N 0.92 0.52 -0.02 3.44 -7.23 -1.26 -5.02 120.40 111.74 3fed s VAL 315 Ca 0.65 -1.97 0.19 0.00 -1.81 0.00 0.00 61.98 59.04 3fed s VAL 315 Cb 0.20 -2.18 0.16 0.00 0.56 0.00 0.00 36.38 35.12 3fed s VAL 315 CO -0.07 -0.40 1.64 0.77 -0.31 0.00 0.00 175.10 176.72 3fed h SER 316 N 2.69 0.00 -2.14 4.85 4.64 -1.85 -3.47 113.55 118.27 3fed h SER 316 Ca -0.36 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.60 3fed h SER 316 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 3fed h SER 316 CO 0.61 0.35 -0.42 -1.22 -0.87 0.00 0.00 176.83 175.28 3fed n TYR 317 N -3.32 -0.65 -0.92 4.77 4.01 -1.26 -4.58 117.16 115.20 3fed n TYR 317 Ca 0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 3fed n TYR 317 Cb 0.58 -3.40 0.14 0.00 -0.31 0.00 0.00 39.34 36.34 3fed n TYR 317 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3fed s SER 318 N -2.34 3.54 0.02 7.72 0.01 -1.26 -3.52 113.70 117.88 3fed s SER 318 Ca 0.00 2.04 0.18 0.00 1.31 0.00 0.00 55.95 59.48 3fed s SER 318 Cb 0.00 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.52 3fed s SER 318 CO 0.00 -2.69 0.69 -0.38 0.41 0.00 0.00 173.24 171.28 3fed n ILE 319 N -3.95 1.03 -4.10 1.44 2.08 -0.40 -4.64 119.36 110.82 3fed n ILE 319 Ca 0.11 -0.68 0.00 0.00 0.56 0.00 0.00 62.75 62.74 3fed n ILE 319 Cb 0.52 -0.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 3fed n ILE 319 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3fed n GLY 320 N 1.41 -1.92 3.81 7.39 0.00 -0.10 -1.01 105.19 114.78 3fed n GLY 320 Ca -0.11 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 3fed n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fed s PRO 321 N 0.00 3.61 0.00 1.61 0.04 -1.26 -4.15 135.00 134.85 3fed s PRO 321 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3fed s PRO 321 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3fed s PRO 321 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3fed n GLY 322 N -0.78 0.40 3.80 0.56 0.00 -1.12 -4.51 105.19 103.54 3fed n GLY 322 Ca 0.09 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 3fed n GLY 322 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fed s PHE 323 N -2.38 3.08 -0.01 1.61 0.40 -1.26 -0.65 117.98 118.78 3fed s PHE 323 Ca 0.00 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 3fed s PHE 323 Cb 0.00 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.12 3fed s PHE 323 CO 0.00 0.53 0.10 0.95 0.70 0.00 0.00 175.22 177.50 3fed s THR 324 N -2.04 0.07 0.00 0.64 -4.23 0.75 -4.68 115.64 106.16 3fed s THR 324 Ca 0.32 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3fed s THR 324 Cb -0.08 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.42 3fed s THR 324 CO 0.24 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3fed n GLY 325 N 1.87 0.65 0.00 3.99 0.00 -1.26 -4.72 105.19 105.72 3fed n GLY 325 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3fed n GLY 325 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fed n SER 326 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.09 113.62 111.76 3fed n SER 326 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3fed n SER 326 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fed n SER 326 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fed n SER 328 N 0.00 0.00 -4.59 -3.46 3.41 -1.26 -4.99 113.62 102.73 3fed n SER 328 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3fed n SER 328 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3fed n SER 328 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fed s PHE 329 N 0.00 2.92 -0.01 7.33 0.40 -1.26 -3.44 117.98 123.91 3fed s PHE 329 Ca 0.00 0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 3fed s PHE 329 Cb 0.00 -4.07 -0.01 0.00 0.51 0.00 0.00 43.02 39.45 3fed s PHE 329 CO 0.00 -1.10 -0.03 -2.13 0.70 0.00 0.00 175.22 172.66 3fed n ARG 330 N 7.34 0.05 -4.09 0.44 0.63 -0.66 -4.71 116.66 115.64 3fed n ARG 330 Ca 0.09 0.02 -0.09 0.00 -0.92 0.00 0.00 57.85 56.94 3fed n ARG 330 Cb 0.48 -0.58 -0.10 0.00 0.45 0.00 0.00 32.46 32.71 3fed n ARG 330 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3fed s LYS 331 N -2.04 0.62 -0.03 -0.14 -0.14 -0.53 -4.75 119.74 112.74 3fed s LYS 331 Ca -0.03 -1.09 -0.01 0.00 -1.36 0.00 0.00 55.97 53.49 3fed s LYS 331 Cb 0.01 -0.02 -0.04 0.00 -1.68 0.00 0.00 37.83 36.11 3fed s LYS 331 CO 0.04 -0.05 0.05 0.54 -0.76 0.00 0.00 175.35 175.17 3fed s VAL 332 N -3.03 4.55 0.03 3.17 0.11 -0.35 -0.96 120.40 123.93 3fed s VAL 332 Ca 0.02 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 3fed s VAL 332 Cb 0.01 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 3fed s VAL 332 CO -0.05 0.42 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.80 3fed s ARG 333 N -1.49 1.43 0.16 1.54 0.52 0.09 -1.18 118.95 120.01 3fed s ARG 333 Ca 0.20 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3fed s ARG 333 Cb -0.12 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 3fed s ARG 333 CO 0.10 0.39 -0.03 -1.64 0.02 0.00 0.00 175.30 174.14 3fed s MET 334 N -1.08 2.31 -0.26 3.54 -1.94 -0.29 -1.00 119.30 120.59 3fed s MET 334 Ca 0.07 -1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 52.90 3fed s MET 334 Cb -0.09 -2.32 0.09 0.00 2.01 0.00 0.00 34.83 34.52 3fed s MET 334 CO 0.01 0.46 0.12 -1.58 -0.01 0.00 0.00 175.02 174.03 3fed s HIS 335 N -1.63 0.28 -0.08 -0.03 5.04 0.12 -3.44 115.29 115.55 3fed s HIS 335 Ca 0.26 -0.75 -0.01 0.00 -1.54 0.00 0.00 55.06 53.03 3fed s HIS 335 Cb -0.10 -0.85 0.03 0.00 0.04 0.00 0.00 32.58 31.70 3fed s HIS 335 CO 0.17 -0.76 -0.04 0.08 -2.34 0.00 0.00 174.74 171.85 3fed s VAL 336 N 2.11 0.66 -0.30 0.89 1.01 -0.58 -1.37 120.40 122.82 3fed s VAL 336 Ca 0.07 -0.08 0.19 0.00 0.00 0.00 0.00 61.98 62.16 3fed s VAL 336 Cb -0.16 -0.74 0.48 0.00 0.00 0.00 0.00 36.38 35.96 3fed s VAL 336 CO -0.31 0.30 1.04 -1.22 0.00 0.00 0.00 175.10 174.91 3fed n TYR 337 N 4.89 1.40 -1.61 5.22 4.02 -1.26 -1.03 117.16 128.78 3fed n TYR 337 Ca -0.12 -2.49 -0.34 0.00 -0.01 0.00 0.00 57.90 54.94 3fed n TYR 337 Cb 0.50 -0.30 0.07 0.00 -0.02 0.00 0.00 39.34 39.59 3fed n TYR 337 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3fed s ASN 338 N -3.47 4.66 -0.13 7.72 0.01 -1.26 -4.03 114.94 118.44 3fed s ASN 338 Ca 0.29 2.19 -0.03 0.00 -0.71 0.00 0.00 52.86 54.61 3fed s ASN 338 Cb 0.39 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 3fed s ASN 338 CO -0.01 -1.94 -0.04 -0.51 -1.51 0.00 0.00 177.10 173.10 3fed s ILE 339 N -2.13 3.92 -0.16 0.60 -1.16 0.62 -4.81 121.20 118.09 3fed s ILE 339 Ca 0.71 -0.36 -0.13 0.00 -0.51 0.00 0.00 60.65 60.36 3fed s ILE 339 Cb -0.25 -2.69 -0.05 0.00 0.61 0.00 0.00 42.46 40.08 3fed s ILE 339 CO 0.43 0.53 0.26 0.20 -2.81 0.00 0.00 174.94 173.54 3fed s ASN 340 N -0.00 6.41 -0.08 4.50 0.01 -1.26 -1.07 114.94 123.44 3fed s ASN 340 Ca 0.01 0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 52.52 3fed s ASN 340 Cb -0.13 -2.16 0.03 0.00 0.41 0.00 0.00 41.25 39.39 3fed s ASN 340 CO 0.03 0.13 0.29 -1.59 -1.51 0.00 0.00 177.10 174.45 3fed s LYS 341 N 0.33 0.42 0.10 -0.60 -2.85 -0.15 -4.97 119.74 112.02 3fed s LYS 341 Ca 0.15 0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 55.04 3fed s LYS 341 Cb -0.13 0.20 -0.08 0.00 -2.06 0.00 0.00 37.83 35.76 3fed s LYS 341 CO 0.03 -0.08 1.44 0.42 0.10 0.00 0.00 175.35 177.26 3fed s ILE 342 N -0.27 3.25 0.01 3.79 1.01 -1.26 -1.29 121.20 126.43 3fed s ILE 342 Ca -0.04 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.47 3fed s ILE 342 Cb -0.03 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3fed s ILE 342 CO 0.01 0.05 -0.02 -0.89 0.00 0.00 0.00 174.94 174.09 3fed s THR 343 N 1.43 0.17 0.16 2.92 2.01 0.38 -4.89 115.64 117.81 3fed s THR 343 Ca 0.66 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 3fed s THR 343 Cb -0.37 -0.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 3fed s THR 343 CO 0.30 -0.07 1.03 -0.60 -0.69 0.00 0.00 174.62 174.59 3fed s ARG 344 N -0.37 4.66 0.25 4.92 3.52 -1.26 -1.39 118.95 129.29 3fed s ARG 344 Ca -0.03 1.59 0.10 0.00 -0.13 0.00 0.00 55.73 57.27 3fed s ARG 344 Cb -0.03 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 3fed s ARG 344 CO -0.00 0.17 -0.18 0.96 -0.81 0.00 0.00 175.30 175.44 3fed s ILE 345 N -0.23 2.21 -0.09 4.11 -4.36 -0.02 -4.43 121.20 118.39 3fed s ILE 345 Ca 0.48 -2.33 -0.02 0.00 -0.26 0.00 0.00 60.65 58.52 3fed s ILE 345 Cb -0.27 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.27 3fed s ILE 345 CO 0.33 -0.46 0.01 -0.31 0.24 0.00 0.00 174.94 174.74 3fed s TYR 346 N -2.65 0.73 0.15 1.37 2.02 -1.26 -1.82 117.35 115.89 3fed s TYR 346 Ca 0.27 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 3fed s TYR 346 Cb -0.04 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 3fed s TYR 346 CO 0.12 -0.38 0.45 -0.80 -1.57 0.00 0.00 175.55 173.37 3fed s ASN 347 N 1.95 6.60 -0.21 2.29 0.01 0.37 -4.05 114.94 121.90 3fed s ASN 347 Ca 0.04 0.78 -0.08 0.00 -0.71 0.00 0.00 52.86 52.89 3fed s ASN 347 Cb -0.13 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3fed s ASN 347 CO -0.06 0.05 0.09 -0.69 -1.51 0.00 0.00 177.10 174.98 3fed s VAL 348 N -1.62 4.81 -0.11 1.60 1.01 -0.23 -0.51 120.40 125.35 3fed s VAL 348 Ca 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3fed s VAL 348 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3fed s VAL 348 CO 0.21 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.91 3fed s VAL 349 N 0.86 1.28 0.27 2.92 1.01 0.12 -0.38 120.40 126.49 3fed s VAL 349 Ca 0.05 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3fed s VAL 349 Cb -0.13 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 3fed s VAL 349 CO 0.03 0.40 -0.03 -0.83 0.00 0.00 0.00 175.10 174.67 3fed s GLY 350 N 1.30 1.80 0.03 4.51 0.00 0.29 -0.74 107.32 114.51 3fed s GLY 350 Ca -0.01 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 42.77 3fed s GLY 350 CO -0.05 -1.80 0.08 -0.51 0.00 0.00 0.00 173.10 170.82 3fed s THR 351 N -3.15 0.12 -0.25 0.90 -4.23 -0.89 -0.75 115.64 107.39 3fed s THR 351 Ca 0.30 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3fed s THR 351 Cb 0.05 -0.73 0.06 0.00 1.34 0.00 0.00 72.50 73.22 3fed s THR 351 CO 0.12 -0.56 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.91 3fed s ILE 352 N -2.24 1.91 0.45 2.99 1.01 -0.30 -0.65 121.20 124.37 3fed s ILE 352 Ca -0.08 -1.46 -0.22 0.00 0.00 0.00 0.00 60.65 58.89 3fed s ILE 352 Cb -0.03 -2.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 3fed s ILE 352 CO -0.03 -0.05 1.09 -0.13 0.00 0.00 0.00 174.94 175.82 3fed s ARG 353 N 1.22 3.87 0.48 2.79 0.52 -1.26 -1.18 118.95 125.39 3fed s ARG 353 Ca -0.08 1.56 -0.20 0.00 -0.52 0.00 0.00 55.73 56.49 3fed s ARG 353 Cb -0.19 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 32.85 3fed s ARG 353 CO -0.06 -0.41 1.02 0.20 0.02 0.00 0.00 175.30 176.08 3fed s GLY 354 N -1.63 2.48 0.25 -3.53 0.00 -1.21 -4.52 107.32 99.17 3fed s GLY 354 Ca 0.63 0.57 0.23 0.00 0.00 0.00 0.00 44.72 46.15 3fed s GLY 354 CO 0.28 0.88 1.16 1.76 0.00 0.00 0.00 173.10 177.18 3fed h SER 355 N 1.58 0.00 0.00 1.64 0.02 -0.58 -3.34 113.55 112.87 3fed h SER 355 Ca -0.49 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.39 3fed h SER 355 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3fed h SER 355 CO 0.59 0.01 -1.23 0.52 -1.14 0.00 0.00 176.83 175.59 3fed n VAL 356 N -2.77 0.24 -3.42 2.27 0.31 -0.70 -4.89 118.33 109.36 3fed n VAL 356 Ca 0.01 -0.06 -0.27 0.00 -0.01 0.00 0.00 64.34 64.01 3fed n VAL 356 Cb 0.55 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 3fed n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fed n GLU 357 N -3.19 2.31 0.17 5.55 1.02 0.08 -4.92 120.64 121.65 3fed n GLU 357 Ca -0.08 -4.52 0.13 0.00 -0.02 0.00 0.00 57.16 52.67 3fed n GLU 357 Cb 0.56 -2.15 0.60 0.00 -0.02 0.00 0.00 31.44 30.42 3fed n GLU 357 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3fed h PRO 358 N 4.22 0.00 -0.87 3.49 0.13 -1.75 -2.13 132.00 135.09 3fed h PRO 358 Ca 0.19 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.13 3fed h PRO 358 Cb 0.69 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.71 3fed h PRO 358 CO 0.79 0.00 0.23 -0.40 -0.23 0.00 0.00 178.00 178.40 3fed n ASP 359 N -2.37 3.82 -4.06 1.44 5.75 -1.26 -4.50 116.55 115.37 3fed n ASP 359 Ca 0.00 -2.86 -0.22 0.00 -0.01 0.00 0.00 54.79 51.70 3fed n ASP 359 Cb 0.14 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.40 3fed n ASP 359 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3fed s ARG 360 N -2.19 1.25 -0.02 0.11 1.81 -0.80 -4.68 118.95 114.43 3fed s ARG 360 Ca 0.37 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 54.02 3fed s ARG 360 Cb 0.30 -1.14 -0.02 0.00 -0.45 0.00 0.00 34.95 33.65 3fed s ARG 360 CO 0.09 0.18 -0.23 0.71 -0.68 0.00 0.00 175.30 175.38 3fed s TYR 361 N 0.06 2.05 -0.14 -0.53 2.02 -0.32 -0.73 117.35 119.76 3fed s TYR 361 Ca -0.02 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3fed s TYR 361 Cb -0.09 -1.32 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3fed s TYR 361 CO 0.01 -0.06 -0.21 0.08 -1.57 0.00 0.00 175.55 173.80 3fed s VAL 362 N -0.46 2.19 -0.19 0.71 1.01 -0.22 0.13 120.40 123.57 3fed s VAL 362 Ca 0.07 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3fed s VAL 362 Cb -0.09 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3fed s VAL 362 CO -0.00 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.09 3fed s ILE 363 N 0.81 4.97 -0.29 2.22 1.01 -0.44 -0.79 121.20 128.69 3fed s ILE 363 Ca -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 3fed s ILE 363 Cb -0.15 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 39.12 3fed s ILE 363 CO -0.01 0.45 -0.02 -0.22 0.00 0.00 0.00 174.94 175.14 3fed s LEU 364 N 0.38 3.85 0.03 2.97 2.96 0.41 -0.21 118.68 129.07 3fed s LEU 364 Ca 0.05 -1.37 0.04 0.00 -0.22 0.00 0.00 54.13 52.62 3fed s LEU 364 Cb -0.12 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3fed s LEU 364 CO -0.00 -0.25 -0.11 -0.83 -1.32 0.00 0.00 176.35 173.83 3fed s GLY 365 N 1.22 0.62 0.00 7.98 0.00 -0.68 -0.89 107.32 115.57 3fed s GLY 365 Ca -0.05 -0.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.78 3fed s GLY 365 CO -0.03 -0.69 0.42 -0.32 0.00 0.00 0.00 173.10 172.49 3fed s GLY 366 N -1.05 -0.29 0.50 0.20 0.00 -0.40 -0.05 107.32 106.23 3fed s GLY 366 Ca -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 3fed s GLY 366 CO 0.01 0.26 0.91 -2.38 0.00 0.00 0.00 173.10 171.90 3fed s HIS 367 N -1.75 3.51 -0.03 1.90 -3.43 -1.26 -0.78 115.29 113.45 3fed s HIS 367 Ca -0.10 1.23 0.05 0.00 -0.80 0.00 0.00 55.06 55.43 3fed s HIS 367 Cb -0.02 -2.62 -0.07 0.00 -1.43 0.00 0.00 32.58 28.44 3fed s HIS 367 CO 0.03 -0.35 0.05 -2.13 -2.00 0.00 0.00 174.74 170.34 3fed n ARG 368 N -1.84 2.01 -2.57 -0.38 0.63 -0.07 -4.59 116.66 109.85 3fed n ARG 368 Ca 0.04 -0.02 -0.36 0.00 -0.92 0.00 0.00 57.85 56.59 3fed n ARG 368 Cb 0.54 -1.12 -0.04 0.00 0.45 0.00 0.00 32.46 32.29 3fed n ARG 368 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3fed s ASP 369 N -3.20 6.77 0.33 6.15 -4.77 -1.25 -4.82 116.67 115.88 3fed s ASP 369 Ca -0.02 2.01 0.03 0.00 -3.30 0.00 0.00 52.55 51.27 3fed s ASP 369 Cb 0.02 -2.58 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 3fed s ASP 369 CO 0.20 -0.48 0.09 -0.94 0.70 0.00 0.00 175.17 174.74 3fed s SER 370 N -1.61 2.19 -0.02 2.11 1.04 -0.57 -4.44 113.70 112.40 3fed s SER 370 Ca 0.58 -1.46 -0.20 0.00 0.48 0.00 0.00 55.95 55.35 3fed s SER 370 Cb -0.21 0.14 -0.32 0.00 0.10 0.00 0.00 66.02 65.73 3fed s SER 370 CO 0.26 -0.73 0.94 -0.50 0.98 0.00 0.00 173.24 174.20 3fed h TRP 371 N 2.09 0.69 0.00 5.02 4.06 -1.86 -3.26 115.95 122.68 3fed h TRP 371 Ca -0.39 -0.49 0.00 0.00 2.06 0.00 0.00 58.89 60.08 3fed h TRP 371 Cb 1.25 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3fed h TRP 371 CO 0.81 1.37 0.00 0.28 -3.56 0.00 0.00 178.44 177.34 3fed n VAL 372 N -4.01 0.00 0.07 1.49 0.31 -1.26 -4.65 118.33 110.28 3fed n VAL 372 Ca -0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.13 3fed n VAL 372 Cb 0.89 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.74 3fed n VAL 372 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3fed h PHE 373 N 0.00 0.00 -6.10 3.52 0.04 -1.84 -2.54 116.94 110.02 3fed h PHE 373 Ca 0.00 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.34 3fed h PHE 373 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 3fed h PHE 373 CO 0.00 0.93 -0.78 0.41 -0.60 0.00 0.00 178.31 178.27 3fed n GLY 374 N 1.26 -0.41 0.22 -1.45 0.00 -1.21 -4.76 105.19 98.84 3fed n GLY 374 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.22 3fed n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fed h ALA 375 N 0.93 1.57 0.00 4.61 0.00 -1.62 -0.47 119.26 124.28 3fed h ALA 375 Ca -0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3fed h ALA 375 Cb 1.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fed h ALA 375 CO 0.60 0.32 -0.46 0.82 0.00 0.00 0.00 179.25 180.53 3fed h ILE 376 N 0.09 0.07 -3.51 0.00 2.04 -1.88 -2.24 117.51 112.08 3fed h ILE 376 Ca 0.02 -1.08 -0.71 0.00 1.00 0.00 0.00 64.86 64.09 3fed h ILE 376 Cb 0.40 0.15 -0.26 0.00 -0.74 0.00 0.00 36.82 36.37 3fed h ILE 376 CO 0.03 0.02 -0.48 -0.62 0.00 0.00 0.00 178.15 177.10 3fed s ASP 377 N -5.77 5.69 0.00 1.72 2.15 -1.16 -2.59 116.67 116.71 3fed s ASP 377 Ca -0.13 -1.27 0.15 0.00 0.43 0.00 0.00 52.55 51.74 3fed s ASP 377 Cb 0.02 -2.01 0.26 0.00 -0.30 0.00 0.00 42.92 40.89 3fed s ASP 377 CO 0.21 -0.47 1.16 -0.81 -0.17 0.00 0.00 175.17 175.08 3fed n PRO 378 N 4.96 1.92 0.22 4.34 -0.04 -1.19 -4.37 135.00 140.85 3fed n PRO 378 Ca -0.11 -1.81 0.08 0.00 -0.04 0.00 0.00 63.50 61.62 3fed n PRO 378 Cb 0.44 -1.33 0.51 0.00 -0.04 0.00 0.00 33.50 33.08 3fed n PRO 378 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3fed h THR 379 N 2.96 0.80 -0.90 0.52 2.02 -0.86 0.30 112.91 117.75 3fed h THR 379 Ca 0.00 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.23 3fed h THR 379 Cb 0.73 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 3fed h THR 379 CO 0.00 0.25 0.59 0.77 0.37 0.00 0.00 175.52 177.49 3fed h SER 380 N 0.00 0.90 0.68 4.18 4.64 -1.13 -0.23 113.55 122.58 3fed h SER 380 Ca -0.00 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3fed h SER 380 Cb 0.60 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3fed h SER 380 CO 0.03 0.58 -0.68 1.23 -0.87 0.00 0.00 176.83 177.12 3fed h GLY 381 N 1.02 0.00 0.98 -0.77 0.00 -0.51 -2.22 103.07 101.57 3fed h GLY 381 Ca 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 3fed h GLY 381 CO -0.15 0.00 0.09 -2.08 0.00 0.00 0.00 176.54 174.40 3fed h VAL 382 N 0.00 1.25 -0.55 4.60 2.07 -0.58 -0.06 116.25 122.98 3fed h VAL 382 Ca -0.01 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 3fed h VAL 382 Cb 1.20 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3fed h VAL 382 CO 0.09 0.32 0.02 0.00 0.02 0.00 0.00 177.57 178.02 3fed h ALA 383 N 0.97 0.74 -0.46 1.67 0.00 -1.01 -1.66 119.26 119.51 3fed h ALA 383 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fed h ALA 383 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fed h ALA 383 CO 0.01 0.54 0.28 0.28 0.00 0.00 0.00 179.25 180.36 3fed h VAL 384 N 0.83 1.14 -0.85 0.00 2.07 -1.24 -1.96 116.25 116.24 3fed h VAL 384 Ca 0.16 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3fed h VAL 384 Cb 0.51 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3fed h VAL 384 CO 0.02 0.14 0.45 0.25 0.02 0.00 0.00 177.57 178.45 3fed h LEU 385 N 0.61 1.08 -0.63 2.57 5.85 -0.72 -0.26 115.31 123.80 3fed h LEU 385 Ca 0.17 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3fed h LEU 385 Cb -0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3fed h LEU 385 CO -0.03 0.88 0.12 1.56 -0.34 0.00 0.00 178.44 180.62 3fed h GLN 386 N 1.20 1.04 -0.05 1.25 1.08 -1.08 -0.66 115.11 117.89 3fed h GLN 386 Ca 0.30 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.14 3fed h GLN 386 Cb 0.06 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3fed h GLN 386 CO -0.04 0.96 -0.37 1.49 -0.95 0.00 0.00 178.83 179.92 3fed h GLU 387 N 0.96 0.09 -0.19 1.46 4.57 -0.78 0.28 114.58 120.97 3fed h GLU 387 Ca 0.19 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3fed h GLU 387 Cb 0.42 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3fed h GLU 387 CO 0.01 0.45 -0.17 0.82 -1.18 0.00 0.00 179.01 178.94 3fed h ILE 388 N 0.08 1.33 -0.93 2.32 2.04 -0.78 -2.19 117.51 119.38 3fed h ILE 388 Ca 0.01 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3fed h ILE 388 Cb 0.69 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 3fed h ILE 388 CO 0.05 0.40 0.56 0.00 0.00 0.00 0.00 178.15 179.16 3fed h ALA 389 N 0.65 1.23 -0.76 1.87 0.00 -0.92 -0.66 119.26 120.67 3fed h ALA 389 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3fed h ALA 389 Cb 0.71 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3fed h ALA 389 CO 0.04 0.66 0.34 -0.09 0.00 0.00 0.00 179.25 180.20 3fed h ARG 390 N 1.29 1.11 -0.38 0.00 2.43 -0.87 -0.23 114.38 117.71 3fed h ARG 390 Ca 0.33 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 3fed h ARG 390 Cb -0.05 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3fed h ARG 390 CO -0.06 0.87 -0.35 0.77 -1.51 0.00 0.00 179.97 179.69 3fed h SER 391 N 1.09 0.95 -0.80 -3.80 0.02 -0.70 -0.66 113.55 109.65 3fed h SER 391 Ca 0.26 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3fed h SER 391 Cb 0.15 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 3fed h SER 391 CO -0.03 1.20 0.36 -0.26 -1.14 0.00 0.00 176.83 176.96 3fed h PHE 392 N 0.74 1.17 -0.92 3.45 0.04 -0.89 -1.81 116.94 118.73 3fed h PHE 392 Ca 0.07 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3fed h PHE 392 Cb 0.93 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 3fed h PHE 392 CO 0.06 0.86 0.60 0.78 -0.60 0.00 0.00 178.31 180.01 3fed h GLY 393 N 1.17 1.34 1.05 -1.45 0.00 -0.62 -1.15 103.07 103.42 3fed h GLY 393 Ca 0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3fed h GLY 393 CO -0.03 0.36 0.11 1.70 0.00 0.00 0.00 176.54 178.67 3fed h LYS 394 N 1.11 1.06 -0.57 4.80 1.63 -0.52 -0.89 116.57 123.18 3fed h LYS 394 Ca 0.38 -0.28 0.03 0.00 -0.85 0.00 0.00 60.65 59.93 3fed h LYS 394 Cb 0.09 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3fed h LYS 394 CO -0.13 0.98 0.34 -0.07 -3.45 0.00 0.00 179.45 177.11 3fed h LEU 395 N 0.97 0.54 -1.54 5.20 3.38 -0.87 -2.52 115.31 120.47 3fed h LEU 395 Ca 0.19 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3fed h LEU 395 Cb 0.43 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3fed h LEU 395 CO 0.01 0.37 0.34 0.24 0.09 0.00 0.00 178.44 179.50 3fed h MET 396 N 0.66 0.60 0.00 1.13 2.86 -0.67 -2.31 114.93 117.20 3fed h MET 396 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3fed h MET 396 Cb 0.05 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3fed h MET 396 CO -0.11 0.40 -0.04 0.66 1.06 0.00 0.00 176.91 178.88 3fed h SER 397 N 0.62 0.00 -0.71 1.22 4.64 -0.73 -2.20 113.55 116.39 3fed h SER 397 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3fed h SER 397 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3fed h SER 397 CO -0.05 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 3fed n LYS 398 N -3.19 2.74 0.00 4.77 4.76 -0.90 -4.97 118.16 121.37 3fed n LYS 398 Ca -0.00 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.81 3fed n LYS 398 Cb 0.26 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 3fed n LYS 398 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fed n GLY 399 N 1.58 0.54 3.78 0.72 0.00 -0.83 -5.08 105.19 105.90 3fed n GLY 399 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3fed n GLY 399 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fed s TRP 400 N -2.00 3.14 0.01 1.61 -0.00 -1.04 -4.99 118.94 115.67 3fed s TRP 400 Ca 0.00 1.61 0.01 0.00 -0.00 0.00 0.00 56.10 57.72 3fed s TRP 400 Cb 0.00 -3.18 -0.01 0.00 -0.00 0.00 0.00 33.47 30.28 3fed s TRP 400 CO 0.00 -0.86 -0.04 1.03 -0.00 0.00 0.00 176.95 177.09 3fed s ARG 401 N -2.64 0.29 0.70 5.86 1.81 -1.26 -4.16 118.95 119.56 3fed s ARG 401 Ca 0.60 -0.38 -0.12 0.00 -1.72 0.00 0.00 55.73 54.12 3fed s ARG 401 Cb -0.23 -0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.17 3fed s ARG 401 CO 0.28 0.02 1.07 -1.25 -0.68 0.00 0.00 175.30 174.74 3fed s PRO 402 N -0.79 2.77 0.02 3.54 0.04 -1.26 -4.80 135.00 134.52 3fed s PRO 402 Ca -0.06 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 3fed s PRO 402 Cb -0.05 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 3fed s PRO 402 CO -0.00 -1.24 1.36 -0.09 0.04 0.00 0.00 177.00 177.07 3fed h ARG 403 N -0.66 -0.27 -6.50 4.56 2.43 -1.82 0.91 114.38 113.04 3fed h ARG 403 Ca -0.44 0.02 -0.49 0.00 -0.81 0.00 0.00 59.98 58.25 3fed h ARG 403 Cb 1.22 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3fed h ARG 403 CO 0.55 0.03 -0.16 1.03 -1.51 0.00 0.00 179.97 179.91 3fed s ARG 404 N -4.94 2.38 -0.07 0.20 0.52 -0.28 -0.75 118.95 116.02 3fed s ARG 404 Ca -0.15 -1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 53.24 3fed s ARG 404 Cb 0.03 -2.58 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 3fed s ARG 404 CO 0.60 -0.72 0.54 0.99 0.02 0.00 0.00 175.30 176.73 3fed s THR 405 N -2.63 5.07 -0.12 0.02 2.01 0.09 -3.29 115.64 116.80 3fed s THR 405 Ca 0.56 1.10 -0.17 0.00 0.31 0.00 0.00 61.69 63.49 3fed s THR 405 Cb -0.06 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3fed s THR 405 CO 0.35 0.36 0.43 -0.63 -0.69 0.00 0.00 174.62 174.44 3fed s ILE 406 N 0.27 5.21 -0.22 1.82 1.01 -0.32 -1.06 121.20 127.90 3fed s ILE 406 Ca 0.29 0.85 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 3fed s ILE 406 Cb -0.16 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3fed s ILE 406 CO 0.14 0.35 0.02 -0.63 0.00 0.00 0.00 174.94 174.82 3fed s ILE 407 N 0.52 4.00 -0.15 2.92 1.01 0.03 -1.15 121.20 128.38 3fed s ILE 407 Ca 0.23 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 3fed s ILE 407 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3fed s ILE 407 CO 0.09 0.39 0.13 -0.36 0.00 0.00 0.00 174.94 175.19 3fed s PHE 408 N 1.31 3.49 -0.02 3.97 0.08 0.07 -0.44 117.98 126.43 3fed s PHE 408 Ca 0.04 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.51 3fed s PHE 408 Cb -0.15 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3fed s PHE 408 CO 0.01 0.52 0.01 0.00 -0.10 0.00 0.00 175.22 175.66 3fed s ALA 409 N -0.40 0.18 -0.35 5.36 0.00 -0.07 -0.54 121.76 125.94 3fed s ALA 409 Ca 0.11 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 3fed s ALA 409 Cb -0.12 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.83 3fed s ALA 409 CO 0.01 -0.06 0.13 0.45 0.00 0.00 0.00 175.76 176.29 3fed s SER 410 N 0.79 5.34 0.20 0.00 0.15 0.49 -1.28 113.70 119.40 3fed s SER 410 Ca -0.07 -1.25 -0.14 0.00 0.70 0.00 0.00 55.95 55.19 3fed s SER 410 Cb -0.10 -1.88 -0.07 0.00 -1.71 0.00 0.00 66.02 62.26 3fed s SER 410 CO -0.02 -0.37 0.60 0.26 1.20 0.00 0.00 173.24 174.91 3fed s TRP 411 N 1.38 3.53 0.30 3.44 0.23 0.04 -1.06 118.94 126.79 3fed s TRP 411 Ca -0.01 1.07 0.07 0.00 -2.03 0.00 0.00 56.10 55.21 3fed s TRP 411 Cb -0.20 -2.39 -0.03 0.00 0.03 0.00 0.00 33.47 30.87 3fed s TRP 411 CO 0.02 0.33 0.25 0.34 0.96 0.00 0.00 176.95 178.84 3fed s ASP 412 N -1.97 5.39 -1.35 2.95 -1.08 -1.26 -0.89 116.67 118.47 3fed s ASP 412 Ca 0.43 -0.38 -0.04 0.00 -0.52 0.00 0.00 52.55 52.04 3fed s ASP 412 Cb -0.13 -1.17 0.02 0.00 -1.46 0.00 0.00 42.92 40.18 3fed s ASP 412 CO 0.20 -0.21 0.33 0.00 0.52 0.00 0.00 175.17 176.01 3fed n ALA 413 N -1.28 -0.91 -0.04 3.66 0.00 -1.26 -1.09 120.51 119.59 3fed n ALA 413 Ca -0.05 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 3fed n ALA 413 Cb 0.59 -2.66 0.23 0.00 0.00 0.00 0.00 19.45 17.60 3fed n ALA 413 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fed h GLU 414 N -0.70 0.61 0.00 0.00 4.22 -1.88 -2.28 114.58 114.55 3fed h GLU 414 Ca -0.43 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 58.85 3fed h GLU 414 Cb 1.30 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fed h GLU 414 CO 0.50 0.67 0.00 0.39 -2.18 0.00 0.00 179.01 178.39 3fed n GLU 415 N -4.22 0.01 -0.48 1.92 -0.58 -1.26 -0.99 120.64 115.03 3fed n GLU 415 Ca 0.01 0.18 0.10 0.00 -0.42 0.00 0.00 57.16 57.04 3fed n GLU 415 Cb 0.30 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 29.99 3fed n GLU 415 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3fed n PHE 416 N -1.49 1.19 0.00 -0.32 3.72 -1.00 -4.01 117.46 115.54 3fed n PHE 416 Ca 0.05 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 3fed n PHE 416 Cb 0.21 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3fed n PHE 416 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fed n GLY 417 N 1.15 1.50 2.50 1.37 0.00 -0.72 -4.74 105.19 106.26 3fed n GLY 417 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 3fed n GLY 417 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fed n LEU 418 N 0.00 -2.09 -0.03 0.99 4.77 -0.16 -4.54 117.00 115.93 3fed n LEU 418 Ca 0.00 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 3fed n LEU 418 Cb 0.00 -2.27 -0.10 0.00 -2.33 0.00 0.00 43.42 38.72 3fed n LEU 418 CO 0.00 0.03 0.56 -0.07 -1.33 0.00 0.00 177.39 176.59 3fed h LEU 419 N -0.59 0.15 -0.52 2.23 3.38 -1.62 -1.72 115.31 116.62 3fed h LEU 419 Ca -0.37 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 56.96 3fed h LEU 419 Cb 1.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3fed h LEU 419 CO 0.41 0.70 0.05 1.23 0.09 0.00 0.00 178.44 180.92 3fed h GLY 420 N -0.39 0.94 1.64 0.83 0.00 -1.29 -0.19 103.07 104.62 3fed h GLY 420 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 3fed h GLY 420 CO 0.02 0.61 -0.42 1.48 0.00 0.00 0.00 176.54 178.22 3fed h SER 421 N 0.75 0.42 -0.00 0.19 4.64 -1.74 -2.34 113.55 115.46 3fed h SER 421 Ca 0.15 -0.18 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 3fed h SER 421 Cb 0.45 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3fed h SER 421 CO 0.02 0.79 -1.04 0.74 -0.87 0.00 0.00 176.83 176.47 3fed h THR 422 N 0.32 1.28 -0.61 2.95 2.02 -1.10 -1.84 112.91 115.93 3fed h THR 422 Ca 0.03 -2.24 -0.04 0.00 0.77 0.00 0.00 66.41 64.93 3fed h THR 422 Cb 0.88 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 3fed h THR 422 CO 0.07 0.69 0.24 -0.33 0.37 0.00 0.00 175.52 176.56 3fed h GLU 423 N 0.40 0.89 -0.34 6.66 4.39 -1.02 0.38 114.58 125.94 3fed h GLU 423 Ca -0.13 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 3fed h GLU 423 Cb 1.70 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 3fed h GLU 423 CO 0.21 0.73 -0.32 2.35 -1.16 0.00 0.00 179.01 180.82 3fed h TRP 424 N 0.88 0.85 -0.82 4.33 7.01 -1.37 -0.12 115.95 126.71 3fed h TRP 424 Ca 0.21 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 3fed h TRP 424 Cb 0.18 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 3fed h TRP 424 CO 0.01 0.96 0.36 0.00 -2.79 0.00 0.00 178.44 176.98 3fed h ALA 425 N 1.02 1.06 -0.17 2.65 0.00 -0.90 -1.29 119.26 121.63 3fed h ALA 425 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3fed h ALA 425 Cb 0.84 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3fed h ALA 425 CO 0.07 0.65 -0.34 0.93 0.00 0.00 0.00 179.25 180.56 3fed h GLU 426 N 1.17 0.35 -0.41 0.00 5.08 -0.49 0.04 114.58 120.33 3fed h GLU 426 Ca 0.28 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3fed h GLU 426 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3fed h GLU 426 CO -0.03 0.65 -0.33 1.49 -1.00 0.00 0.00 179.01 179.80 3fed h GLU 427 N 0.31 0.94 -0.42 2.33 4.81 -0.66 -3.33 114.58 118.55 3fed h GLU 427 Ca 0.04 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3fed h GLU 427 Cb 0.75 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3fed h GLU 427 CO 0.06 1.12 0.00 0.09 -0.73 0.00 0.00 179.01 179.55 3fed n ASN 428 N -4.07 3.63 -0.33 1.04 3.02 -0.52 -4.71 115.26 113.32 3fed n ASN 428 Ca -0.01 -2.34 0.13 0.00 -0.03 0.00 0.00 54.58 52.33 3fed n ASN 428 Cb 0.52 -0.40 0.31 0.00 -0.61 0.00 0.00 39.78 39.60 3fed n ASN 428 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3fed h VAL 429 N 2.59 0.62 -0.44 2.41 3.04 -1.09 -0.40 116.25 122.98 3fed h VAL 429 Ca 0.00 -0.21 -0.14 0.00 -1.01 0.00 0.00 66.70 65.34 3fed h VAL 429 Cb 1.08 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 3fed h VAL 429 CO 0.10 0.11 -0.28 0.11 -1.01 0.00 0.00 177.57 176.61 3fed h LYS 430 N 0.62 0.95 0.03 4.17 1.79 -1.87 -0.15 116.57 122.10 3fed h LYS 430 Ca 0.57 -0.43 -0.22 0.00 -2.18 0.00 0.00 60.65 58.38 3fed h LYS 430 Cb 0.96 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3fed h LYS 430 CO -0.43 1.10 -0.97 -0.84 -1.08 0.00 0.00 179.45 177.22 3fed h ILE 431 N 0.80 1.47 -0.37 1.86 3.07 -1.74 -3.24 117.51 119.36 3fed h ILE 431 Ca 0.09 -2.68 -0.08 0.00 1.55 0.00 0.00 64.86 63.74 3fed h ILE 431 Cb 0.85 2.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.95 3fed h ILE 431 CO 0.08 0.79 -0.10 -0.07 -1.05 0.00 0.00 178.15 177.80 3fed h LEU 432 N 0.14 0.73 -0.80 0.16 3.38 -0.85 -2.26 115.31 115.81 3fed h LEU 432 Ca -0.07 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3fed h LEU 432 Cb 1.63 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3fed h LEU 432 CO 0.16 0.93 -0.01 0.06 0.09 0.00 0.00 178.44 179.67 3fed h GLN 433 N 0.52 0.00 -0.00 1.13 3.07 -1.14 -1.68 115.11 117.01 3fed h GLN 433 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 3fed h GLN 433 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 3fed h GLN 433 CO 0.04 0.01 -0.81 0.39 0.09 0.00 0.00 178.83 178.55 3fed n GLU 434 N -3.10 0.10 0.00 0.06 -0.58 -1.12 -4.62 120.64 111.37 3fed n GLU 434 Ca 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3fed n GLU 434 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3fed n GLU 434 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3fed n ARG 435 N -1.38 2.67 -3.04 3.49 1.74 -0.87 -5.06 116.66 114.21 3fed n ARG 435 Ca 0.05 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 3fed n ARG 435 Cb 0.34 -0.26 -0.05 0.00 -1.02 0.00 0.00 32.46 31.47 3fed n ARG 435 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3fed s SER 436 N -0.40 7.10 -0.12 0.55 0.01 -0.65 -1.17 113.70 119.02 3fed s SER 436 Ca 0.00 1.31 -0.24 0.00 1.31 0.00 0.00 55.95 58.34 3fed s SER 436 Cb 0.00 -2.43 -0.26 0.00 0.21 0.00 0.00 66.02 63.53 3fed s SER 436 CO 0.00 -0.01 0.67 0.40 0.41 0.00 0.00 173.24 174.70 3fed h ILE 437 N 4.33 1.44 -2.59 1.44 1.08 -0.66 -3.46 117.51 119.09 3fed h ILE 437 Ca -0.43 -2.38 0.06 0.00 -0.39 0.00 0.00 64.86 61.72 3fed h ILE 437 Cb 1.20 3.02 -0.13 0.00 -3.07 0.00 0.00 36.82 37.84 3fed h ILE 437 CO 0.72 0.60 0.37 0.00 -0.69 0.00 0.00 178.15 179.15 3fed s ALA 438 N -2.34 -1.71 -0.12 1.87 0.00 -1.23 -4.07 121.76 114.16 3fed s ALA 438 Ca -0.20 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3fed s ALA 438 Cb 0.01 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.77 3fed s ALA 438 CO 0.72 -0.75 -0.19 -0.47 0.00 0.00 0.00 175.76 175.08 3fed s TYR 439 N -3.40 2.31 -0.18 0.00 5.04 0.07 -1.32 117.35 119.87 3fed s TYR 439 Ca 0.04 -1.12 -0.02 0.00 -2.44 0.00 0.00 57.07 53.53 3fed s TYR 439 Cb -0.01 -1.61 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 3fed s TYR 439 CO -0.10 -0.54 -0.10 0.42 -1.34 0.00 0.00 175.55 173.89 3fed s ILE 440 N 0.88 3.00 0.59 3.14 -1.09 0.71 -1.60 121.20 126.83 3fed s ILE 440 Ca -0.07 -0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 57.60 3fed s ILE 440 Cb -0.15 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 3fed s ILE 440 CO -0.01 0.48 0.99 0.21 -1.23 0.00 0.00 174.94 175.38 3fed s ASN 441 N 1.03 6.24 -0.37 3.58 2.47 -0.69 -1.69 114.94 125.52 3fed s ASN 441 Ca -0.01 1.34 0.13 0.00 0.42 0.00 0.00 52.86 54.74 3fed s ASN 441 Cb -0.15 -2.43 0.38 0.00 -1.45 0.00 0.00 41.25 37.60 3fed s ASN 441 CO -0.02 -0.81 0.87 -0.24 -3.72 0.00 0.00 177.10 173.18 3fed n SER 442 N -2.64 0.51 -2.41 -4.21 2.88 0.93 -4.76 113.62 103.92 3fed n SER 442 Ca 0.05 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 3fed n SER 442 Cb 0.54 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3fed n SER 442 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3fed n ASP 443 N 0.14 0.00 -4.51 -3.46 -0.08 -1.26 -4.17 116.55 103.22 3fed n ASP 443 Ca 0.17 0.00 -0.54 0.00 -1.51 0.00 0.00 54.79 52.91 3fed n ASP 443 Cb 0.72 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.12 3fed n ASP 443 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3fed n SER 444 N 0.00 0.21 0.01 1.67 7.64 -1.26 -3.62 113.62 118.27 3fed n SER 444 Ca 0.00 1.15 0.11 0.00 1.01 0.00 0.00 58.87 61.13 3fed n SER 444 Cb 0.00 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.10 3fed n SER 444 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3fed n SER 445 N 1.81 0.54 -3.11 6.43 3.41 -1.26 -4.75 113.62 116.69 3fed n SER 445 Ca 0.19 -0.39 -0.19 0.00 -0.26 0.00 0.00 58.87 58.22 3fed n SER 445 Cb 0.16 1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 65.30 3fed n SER 445 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fed n ILE 446 N -1.92 -0.64 1.28 -1.33 0.13 -1.26 -0.88 119.36 114.75 3fed n ILE 446 Ca 0.01 -2.95 0.13 0.00 -1.10 0.00 0.00 62.75 58.83 3fed n ILE 446 Cb 0.45 -0.83 0.38 0.00 -0.84 0.00 0.00 39.64 38.80 3fed n ILE 446 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3fed n GLU 447 N 2.11 1.10 -3.71 9.51 0.28 -0.55 -4.93 120.64 124.45 3fed n GLU 447 Ca 0.21 -0.68 -0.00 0.00 -0.16 0.00 0.00 57.16 56.53 3fed n GLU 447 Cb 0.54 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.94 3fed n GLU 447 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fed n GLY 448 N 1.31 0.48 0.87 -1.84 0.00 -1.21 -4.47 105.19 100.32 3fed n GLY 448 Ca 0.14 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.12 3fed n GLY 448 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fed n ASN 449 N -1.12 1.28 -0.09 1.61 0.23 -1.20 -3.68 115.26 112.30 3fed n ASN 449 Ca 0.01 -2.81 -0.12 0.00 -0.53 0.00 0.00 54.58 51.13 3fed n ASN 449 Cb 0.53 -0.38 -0.05 0.00 -2.08 0.00 0.00 39.78 37.80 3fed n ASN 449 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fed n TYR 450 N -0.38 0.56 -3.74 -2.53 9.36 -0.14 -4.99 117.16 115.30 3fed n TYR 450 Ca 0.11 0.24 -0.08 0.00 3.32 0.00 0.00 57.90 61.49 3fed n TYR 450 Cb 0.86 -0.77 0.02 0.00 -0.63 0.00 0.00 39.34 38.83 3fed n TYR 450 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3fed n THR 451 N -4.50 0.00 -2.62 2.97 5.66 -0.97 -4.97 114.28 109.86 3fed n THR 451 Ca -0.19 -0.94 -0.34 0.00 -3.05 0.00 0.00 64.05 59.53 3fed n THR 451 Cb 0.48 0.90 -0.04 0.00 -1.55 0.00 0.00 70.33 70.12 3fed n THR 451 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3fed s LEU 452 N 0.00 3.87 -0.07 1.09 2.96 -1.26 -0.30 118.68 124.97 3fed s LEU 452 Ca 0.15 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 3fed s LEU 452 Cb -0.04 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 42.11 3fed s LEU 452 CO 0.11 -0.67 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.74 3fed s ARG 453 N -3.21 1.88 -0.03 1.98 3.52 0.70 -4.82 118.95 118.97 3fed s ARG 453 Ca 0.66 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 3fed s ARG 453 Cb -0.15 -1.53 -0.01 0.00 -1.56 0.00 0.00 34.95 31.70 3fed s ARG 453 CO 0.18 0.04 -0.19 0.08 -0.81 0.00 0.00 175.30 174.60 3fed s VAL 454 N 0.65 1.51 -0.09 7.11 1.01 -1.26 -1.44 120.40 127.89 3fed s VAL 454 Ca -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3fed s VAL 454 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 3fed s VAL 454 CO 0.04 0.43 -0.11 -1.81 0.00 0.00 0.00 175.10 173.65 3fed s ASP 455 N -0.27 2.01 0.13 3.32 -0.00 -0.49 -1.32 116.67 120.06 3fed s ASP 455 Ca 0.03 -0.32 -0.25 0.00 -0.00 0.00 0.00 52.55 52.01 3fed s ASP 455 Cb -0.09 -0.87 0.07 0.00 -0.00 0.00 0.00 42.92 42.03 3fed s ASP 455 CO 0.00 -0.03 0.86 0.00 -0.00 0.00 0.00 175.17 176.01 3fed s THR 457 N -3.39 2.52 0.57 0.00 -1.32 -0.97 -4.65 115.64 108.39 3fed s THR 457 Ca 0.09 0.37 0.29 0.00 -1.21 0.00 0.00 61.69 61.23 3fed s THR 457 Cb -0.02 -3.17 0.41 0.00 -1.51 0.00 0.00 72.50 68.21 3fed s THR 457 CO -0.02 -0.03 1.91 -0.65 -2.21 0.00 0.00 174.62 173.62 3fed h PRO 458 N 1.40 0.00 -0.48 7.08 0.11 -1.94 -0.60 132.00 137.57 3fed h PRO 458 Ca -0.50 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.75 3fed h PRO 458 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3fed h PRO 458 CO 0.57 0.00 0.38 -0.07 -0.21 0.00 0.00 178.00 178.67 3fed h LEU 459 N 0.00 0.00 -1.36 2.35 3.38 -1.91 -2.52 115.31 115.25 3fed h LEU 459 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3fed h LEU 459 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3fed h LEU 459 CO -0.00 0.00 -0.28 0.18 0.09 0.00 0.00 178.44 178.43 3fed n LEU 460 N -4.22 2.38 -0.07 1.67 4.77 -0.23 -2.17 117.00 119.13 3fed n LEU 460 Ca 0.09 -0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 55.14 3fed n LEU 460 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 3fed n LEU 460 CO 0.35 0.42 0.80 1.88 -1.33 0.00 0.00 177.39 179.50 3fed h TYR 461 N 3.26 -0.20 -0.72 -1.77 0.05 -1.50 -1.38 116.97 114.71 3fed h TYR 461 Ca 0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3fed h TYR 461 Cb 0.83 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.67 3fed h TYR 461 CO 0.00 -0.15 0.28 1.96 -1.05 0.00 0.00 178.16 179.20 3fed h GLN 462 N -0.03 1.07 -0.46 4.88 4.20 -1.81 -1.29 115.11 121.68 3fed h GLN 462 Ca 0.14 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3fed h GLN 462 Cb 0.24 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3fed h GLN 462 CO -0.30 0.88 0.08 1.25 -0.67 0.00 0.00 178.83 180.06 3fed h LEU 463 N 1.05 0.73 -0.26 1.46 5.85 -1.72 -0.74 115.31 121.67 3fed h LEU 463 Ca 0.24 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3fed h LEU 463 Cb 0.21 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3fed h LEU 463 CO -0.02 0.80 0.13 0.58 -0.34 0.00 0.00 178.44 179.59 3fed h VAL 464 N 0.63 0.99 -0.63 1.05 2.07 -0.88 -0.96 116.25 118.53 3fed h VAL 464 Ca 0.14 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3fed h VAL 464 Cb 0.37 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3fed h VAL 464 CO 0.01 0.05 0.24 1.88 0.02 0.00 0.00 177.57 179.77 3fed h TYR 465 N 0.28 0.96 -0.45 1.57 0.99 -1.05 -1.72 116.97 117.56 3fed h TYR 465 Ca 0.11 -0.08 0.04 0.00 2.00 0.00 0.00 58.73 60.80 3fed h TYR 465 Cb 0.03 -0.29 -0.04 0.00 1.00 0.00 0.00 36.73 37.43 3fed h TYR 465 CO -0.09 0.77 0.20 -0.22 -0.00 0.00 0.00 178.16 178.81 3fed h LYS 466 N 0.88 0.39 -0.08 4.88 3.64 -0.82 -2.90 116.57 122.56 3fed h LYS 466 Ca 0.21 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 3fed h LYS 466 Cb 0.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3fed h LYS 466 CO -0.02 0.26 -0.78 -0.07 -2.27 0.00 0.00 179.45 176.57 3fed h LEU 467 N 0.40 0.60 -2.02 5.20 3.38 -0.97 -2.84 115.31 119.06 3fed h LEU 467 Ca 0.20 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3fed h LEU 467 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3fed h LEU 467 CO -0.16 1.17 -0.09 0.71 0.09 0.00 0.00 178.44 180.16 3fed h THR 468 N 0.33 0.44 0.00 0.22 1.35 -1.24 -1.34 112.91 112.66 3fed h THR 468 Ca -0.05 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3fed h THR 468 Cb 1.38 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3fed h THR 468 CO 0.14 0.08 0.00 0.11 -0.25 0.00 0.00 175.52 175.61 3fed h LYS 469 N 0.00 0.00 -0.28 4.72 1.57 -1.29 -1.72 116.57 119.56 3fed h LYS 469 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fed h LYS 469 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3fed h LYS 469 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 3fed n GLU 470 N -2.64 2.85 -4.68 3.15 1.02 -0.51 -4.76 120.64 115.07 3fed n GLU 470 Ca 0.02 -2.30 -0.33 0.00 -0.02 0.00 0.00 57.16 54.53 3fed n GLU 470 Cb 0.30 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 3fed n GLU 470 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fed s ILE 471 N -1.67 2.79 0.36 -3.67 1.01 -1.18 -5.06 121.20 113.78 3fed s ILE 471 Ca 0.28 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3fed s ILE 471 Cb 0.19 -2.17 -0.11 0.00 0.01 0.00 0.00 42.46 40.38 3fed s ILE 471 CO 0.12 0.52 1.49 -2.84 0.00 0.00 0.00 174.94 174.23 3fed s PRO 472 N 0.60 4.13 0.28 2.79 0.02 -1.26 -0.59 135.00 140.96 3fed s PRO 472 Ca -0.09 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 3fed s PRO 472 Cb -0.16 -2.98 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3fed s PRO 472 CO 0.03 -0.53 1.33 0.45 -0.33 0.00 0.00 177.00 177.95 3fed s SER 473 N -0.06 6.79 0.00 2.53 0.15 -0.50 -4.33 113.70 118.30 3fed s SER 473 Ca 0.54 2.60 0.26 0.00 0.70 0.00 0.00 55.95 60.06 3fed s SER 473 Cb -0.46 -2.63 0.88 0.00 -1.71 0.00 0.00 66.02 62.10 3fed s SER 473 CO 0.60 -0.55 1.65 -0.81 1.20 0.00 0.00 173.24 175.32 3fed n PRO 474 N 1.56 1.77 -2.86 5.44 -0.04 -1.26 -4.73 135.00 134.87 3fed n PRO 474 Ca 0.03 -1.13 -0.38 0.00 -0.04 0.00 0.00 63.50 61.98 3fed n PRO 474 Cb 0.42 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 3fed n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fed s ASP 475 N -1.90 7.42 0.26 3.54 1.11 -1.26 -4.78 116.67 121.06 3fed s ASP 475 Ca 0.36 1.78 -0.31 0.00 0.18 0.00 0.00 52.55 54.55 3fed s ASP 475 Cb 0.20 -2.55 -0.12 0.00 1.07 0.00 0.00 42.92 41.52 3fed s ASP 475 CO 0.32 0.09 1.54 0.47 1.18 0.00 0.00 175.17 178.77 3fed n ASP 476 N 1.15 3.42 0.00 0.27 8.00 -1.26 -1.65 116.55 126.48 3fed n ASP 476 Ca -0.02 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.61 3fed n ASP 476 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3fed n ASP 476 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fed n GLY 477 N 2.44 1.34 1.00 0.44 0.00 -1.26 -4.92 105.19 104.23 3fed n GLY 477 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3fed n GLY 477 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fed n PHE 478 N -2.00 0.77 0.31 1.61 3.72 -0.66 -4.87 117.46 116.34 3fed n PHE 478 Ca 0.00 -1.67 0.20 0.00 -0.05 0.00 0.00 57.45 55.94 3fed n PHE 478 Cb 0.00 -0.36 1.01 0.00 -0.94 0.00 0.00 39.48 39.19 3fed n PHE 478 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fed h GLU 479 N 1.18 0.00 -0.19 -1.08 3.07 -1.85 -1.40 114.58 114.31 3fed h GLU 479 Ca 0.13 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 3fed h GLU 479 Cb 1.27 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.13 3fed h GLU 479 CO 0.25 0.00 -0.20 -1.13 -1.40 0.00 0.00 179.01 176.54 3fed n SER 480 N -3.11 2.34 -4.42 1.42 3.41 -1.26 -4.94 113.62 107.05 3fed n SER 480 Ca -0.02 -3.68 -0.21 0.00 -0.26 0.00 0.00 58.87 54.71 3fed n SER 480 Cb 0.16 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 3fed n SER 480 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fed s LYS 481 N -3.17 1.54 0.54 4.33 -0.14 -0.53 -5.07 119.74 117.24 3fed s LYS 481 Ca 0.41 -1.78 -0.06 0.00 -1.36 0.00 0.00 55.97 53.18 3fed s LYS 481 Cb 0.37 -1.15 -0.02 0.00 -1.68 0.00 0.00 37.83 35.36 3fed s LYS 481 CO -0.01 0.04 0.85 -1.54 -0.76 0.00 0.00 175.35 173.93 3fed s SER 482 N -3.44 5.97 0.34 2.83 1.04 -1.26 -1.40 113.70 117.77 3fed s SER 482 Ca 0.29 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.61 3fed s SER 482 Cb 0.03 -2.02 0.65 0.00 0.10 0.00 0.00 66.02 64.78 3fed s SER 482 CO 0.12 -0.80 1.95 0.25 0.98 0.00 0.00 173.24 175.73 3fed h LEU 483 N 0.03 0.76 -0.85 2.42 5.85 -0.71 -1.58 115.31 121.22 3fed h LEU 483 Ca -0.46 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3fed h LEU 483 Cb 1.23 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3fed h LEU 483 CO 0.61 0.50 0.55 0.22 -0.34 0.00 0.00 178.44 179.98 3fed h TYR 484 N 0.87 1.03 -0.52 1.25 3.20 -1.57 -0.67 116.97 120.56 3fed h TYR 484 Ca 0.32 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 3fed h TYR 484 Cb 0.17 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3fed h TYR 484 CO -0.00 0.59 0.21 0.93 -1.64 0.00 0.00 178.16 178.25 3fed h GLU 485 N 1.06 0.78 -0.17 1.82 5.08 -1.59 0.37 114.58 121.94 3fed h GLU 485 Ca 0.34 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 3fed h GLU 485 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3fed h GLU 485 CO -0.12 0.69 -0.66 0.66 -1.00 0.00 0.00 179.01 178.58 3fed h SER 486 N 0.70 0.75 -0.46 1.42 4.64 -1.24 -2.29 113.55 117.09 3fed h SER 486 Ca 0.17 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3fed h SER 486 Cb 0.20 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3fed h SER 486 CO -0.01 1.22 0.12 -0.25 -0.87 0.00 0.00 176.83 177.04 3fed h TRP 487 N 0.47 0.76 -0.63 4.77 7.01 -0.94 -1.83 115.95 125.56 3fed h TRP 487 Ca -0.02 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 3fed h TRP 487 Cb 1.25 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 28.07 3fed h TRP 487 CO 0.06 0.69 0.33 1.25 -2.79 0.00 0.00 178.44 177.98 3fed h LEU 488 N 0.61 0.81 -0.94 0.65 5.85 -0.88 0.15 115.31 121.56 3fed h LEU 488 Ca 0.15 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3fed h LEU 488 Cb 0.30 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3fed h LEU 488 CO -0.00 0.69 0.34 -0.08 -0.34 0.00 0.00 178.44 179.05 3fed h GLU 489 N 0.87 1.11 0.00 1.25 4.81 -1.17 -3.04 114.58 118.41 3fed h GLU 489 Ca 0.22 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3fed h GLU 489 Cb 0.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3fed h GLU 489 CO -0.03 0.87 -1.43 1.63 -0.73 0.00 0.00 179.01 179.32 3fed n LYS 490 N -4.31 0.62 -3.07 1.92 5.02 -0.71 -4.60 118.16 113.04 3fed n LYS 490 Ca 0.07 0.19 -0.19 0.00 -2.02 0.00 0.00 58.31 56.37 3fed n LYS 490 Cb 0.15 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3fed n LYS 490 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fed n ASP 491 N -2.84 -0.60 -4.76 4.39 4.64 0.49 -5.00 116.55 112.88 3fed n ASP 491 Ca -0.09 -2.91 -0.38 0.00 -1.38 0.00 0.00 54.79 50.02 3fed n ASP 491 Cb 0.81 0.06 0.02 0.00 -1.04 0.00 0.00 41.12 40.97 3fed n ASP 491 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3fed s PRO 492 N -0.81 3.42 0.24 -0.67 0.04 -1.15 -0.76 135.00 135.32 3fed s PRO 492 Ca 0.34 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 3fed s PRO 492 Cb 0.21 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3fed s PRO 492 CO -0.14 -0.95 1.19 0.45 0.04 0.00 0.00 177.00 177.60 3fed s SER 493 N -0.92 7.08 0.45 6.66 0.15 0.11 -4.36 113.70 122.87 3fed s SER 493 Ca 0.67 2.33 0.12 0.00 0.70 0.00 0.00 55.95 59.78 3fed s SER 493 Cb -0.39 -2.62 1.03 0.00 -1.71 0.00 0.00 66.02 62.33 3fed s SER 493 CO 0.47 -0.33 2.05 -0.65 1.20 0.00 0.00 173.24 175.98 3fed h PRO 494 N 4.46 0.17 -0.01 5.44 0.11 -1.93 -2.86 132.00 137.38 3fed h PRO 494 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fed h PRO 494 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fed h PRO 494 CO 0.71 0.19 -0.27 -0.85 -0.21 0.00 0.00 178.00 177.57 3fed n GLU 495 N -4.43 0.84 -3.15 1.05 0.00 -1.26 -4.72 120.64 108.97 3fed n GLU 495 Ca -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 57.16 56.68 3fed n GLU 495 Cb 0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.09 3fed n GLU 495 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3fed s ASN 496 N -2.51 -1.30 0.37 -1.84 3.84 -1.08 -5.03 114.94 107.39 3fed s ASN 496 Ca 0.24 0.66 0.27 0.00 0.21 0.00 0.00 52.86 54.24 3fed s ASN 496 Cb 0.19 2.03 1.30 0.00 -0.55 0.00 0.00 41.25 44.22 3fed s ASN 496 CO 0.53 -0.24 1.81 0.11 -2.79 0.00 0.00 177.10 176.51 3fed h LYS 497 N 7.98 0.00 -0.70 0.43 6.56 -1.84 -1.40 116.57 127.60 3fed h LYS 497 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 3fed h LYS 497 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 3fed h LYS 497 CO 0.19 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.67 3fed n ASN 498 N -2.45 4.23 -4.21 0.86 4.13 -1.26 -4.72 115.26 111.84 3fed n ASN 498 Ca -0.00 -2.16 -0.22 0.00 1.68 0.00 0.00 54.58 53.88 3fed n ASN 498 Cb 0.14 -0.52 -0.13 0.00 -1.54 0.00 0.00 39.78 37.73 3fed n ASN 498 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fed s LEU 499 N -1.30 2.23 0.61 3.41 1.43 -0.53 -5.06 118.68 119.48 3fed s LEU 499 Ca 0.49 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3fed s LEU 499 Cb 0.28 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 3fed s LEU 499 CO 0.30 0.03 1.17 -2.84 0.23 0.00 0.00 176.35 175.24 3fed s PRO 500 N -1.51 2.92 0.17 1.29 0.02 -1.26 0.04 135.00 136.67 3fed s PRO 500 Ca 0.03 1.66 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 3fed s PRO 500 Cb -0.09 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 3fed s PRO 500 CO 0.02 -1.21 1.48 0.50 -0.33 0.00 0.00 177.00 177.47 3fed s ARG 501 N -3.56 4.26 -0.10 5.54 3.52 0.06 -4.35 118.95 124.31 3fed s ARG 501 Ca 0.73 2.26 0.03 0.00 -0.13 0.00 0.00 55.73 58.62 3fed s ARG 501 Cb -0.26 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3fed s ARG 501 CO 0.35 -0.51 -0.20 0.42 -0.81 0.00 0.00 175.30 174.55 3fed s ILE 502 N 0.88 1.80 0.44 4.11 1.01 -1.26 -4.48 121.20 123.69 3fed s ILE 502 Ca 0.66 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3fed s ILE 502 Cb -0.41 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3fed s ILE 502 CO 0.33 0.50 0.70 0.20 0.00 0.00 0.00 174.94 176.68 3fed s ASN 503 N 0.62 6.15 0.60 3.58 0.01 -0.43 -4.93 114.94 120.54 3fed s ASN 503 Ca -0.13 0.66 -0.15 0.00 -0.71 0.00 0.00 52.86 52.52 3fed s ASN 503 Cb -0.16 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 3fed s ASN 503 CO 0.04 -0.55 1.05 -0.54 -1.51 0.00 0.00 177.10 175.58 3fed s LYS 504 N -4.60 3.33 -0.11 -0.60 1.02 -1.26 -2.14 119.74 115.37 3fed s LYS 504 Ca 0.46 1.12 -0.21 0.00 0.02 0.00 0.00 55.97 57.36 3fed s LYS 504 Cb -0.10 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3fed s LYS 504 CO 0.41 -0.80 0.59 -0.51 -0.92 0.00 0.00 175.35 174.12 3fed s LEU 505 N -4.66 4.27 0.00 3.17 1.43 -1.26 -4.37 118.68 117.26 3fed s LEU 505 Ca 0.62 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3fed s LEU 505 Cb -0.15 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.20 3fed s LEU 505 CO 0.40 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3fed n GLY 506 N 3.30 1.18 0.00 -3.19 0.00 -1.26 -4.44 105.19 100.78 3fed n GLY 506 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3fed n GLY 506 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fed n SER 507 N 0.00 0.51 0.00 1.61 2.88 -0.32 -4.50 113.62 113.80 3fed n SER 507 Ca 0.00 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 3fed n SER 507 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fed n SER 507 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fed n GLY 508 N 1.26 1.85 2.93 0.46 0.00 -1.26 -4.47 105.19 105.96 3fed n GLY 508 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3fed n GLY 508 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fed n SER 509 N 0.00 -1.73 0.00 1.61 2.88 -1.26 -5.06 113.62 110.06 3fed n SER 509 Ca 0.00 -2.29 0.09 0.00 -1.33 0.00 0.00 58.87 55.33 3fed n SER 509 Cb 0.00 2.90 0.39 0.00 -0.75 0.00 0.00 64.21 66.76 3fed n SER 509 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3fed n ASP 510 N -1.46 0.00 0.12 -3.46 8.00 -1.26 -2.00 116.55 116.48 3fed n ASP 510 Ca -0.06 0.41 0.11 0.00 0.71 0.00 0.00 54.79 55.96 3fed n ASP 510 Cb 0.47 -0.46 0.47 0.00 -0.02 0.00 0.00 41.12 41.58 3fed n ASP 510 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3fed n PHE 511 N -1.46 0.66 0.02 1.24 1.16 -1.26 -4.19 117.46 113.63 3fed n PHE 511 Ca 0.05 0.28 -0.10 0.00 -1.87 0.00 0.00 57.45 55.81 3fed n PHE 511 Cb 0.20 -0.95 -0.04 0.00 -1.61 0.00 0.00 39.48 37.08 3fed n PHE 511 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3fed h GLU 512 N 0.00 -0.27 -0.38 3.97 4.81 -1.72 -1.21 114.58 119.78 3fed h GLU 512 Ca 0.00 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3fed h GLU 512 Cb 0.25 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3fed h GLU 512 CO 0.00 -0.18 -0.16 0.00 -0.73 0.00 0.00 179.01 177.94 3fed h ALA 513 N 0.68 1.00 -0.62 2.92 0.00 -1.86 0.19 119.26 121.57 3fed h ALA 513 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3fed h ALA 513 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3fed h ALA 513 CO -0.24 0.59 0.33 1.88 0.00 0.00 0.00 179.25 181.82 3fed h TYR 514 N 0.63 0.85 0.00 0.00 -1.99 -1.62 -1.37 116.97 113.47 3fed h TYR 514 Ca 0.10 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 3fed h TYR 514 Cb 0.63 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3fed h TYR 514 CO 0.03 0.62 -0.67 0.35 -0.00 0.00 0.00 178.16 178.49 3fed h PHE 515 N 0.84 0.00 0.00 4.88 3.57 -1.04 0.45 116.94 125.64 3fed h PHE 515 Ca 0.22 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3fed h PHE 515 Cb 0.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3fed h PHE 515 CO -0.01 0.85 -0.71 1.96 -2.23 0.00 0.00 178.31 178.17 3fed h GLN 516 N -1.00 0.00 0.02 1.11 1.08 -0.73 -1.97 115.11 113.61 3fed h GLN 516 Ca -0.15 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.65 3fed h GLN 516 Cb 0.89 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.26 3fed h GLN 516 CO -0.09 0.71 -2.33 -2.13 -0.95 0.00 0.00 178.83 174.04 3fed n ARG 517 N -3.32 0.64 -0.00 1.46 0.63 -0.72 -0.93 116.66 114.42 3fed n ARG 517 Ca 0.01 0.24 0.10 0.00 -0.92 0.00 0.00 57.85 57.28 3fed n ARG 517 Cb 0.80 -1.56 -0.13 0.00 0.45 0.00 0.00 32.46 32.02 3fed n ARG 517 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fed n LEU 518 N -3.71 0.60 -1.36 6.15 4.77 -0.60 -4.73 117.00 118.13 3fed n LEU 518 Ca -0.46 -0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 3fed n LEU 518 Cb 0.94 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.05 3fed n LEU 518 CO 0.20 0.15 0.03 0.61 -1.33 0.00 0.00 177.39 177.05 3fed n GLY 519 N 1.42 0.29 3.64 -0.72 0.00 -0.74 -4.78 105.19 104.30 3fed n GLY 519 Ca 0.01 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3fed n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fed s ILE 520 N -2.86 5.29 0.08 -0.61 1.01 0.08 -3.00 121.20 121.19 3fed s ILE 520 Ca 0.14 0.32 -0.37 0.00 0.00 0.00 0.00 60.65 60.74 3fed s ILE 520 Cb -0.06 -3.57 -0.17 0.00 0.01 0.00 0.00 42.46 38.67 3fed s ILE 520 CO 0.17 0.28 1.34 0.00 0.00 0.00 0.00 174.94 176.74 3fed n ALA 521 N 4.66 -0.99 -2.50 9.38 0.00 -1.26 -4.00 120.51 125.80 3fed n ALA 521 Ca -0.13 0.52 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 3fed n ALA 521 Cb 0.52 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 3fed n ALA 521 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fed s SER 522 N 0.52 1.20 0.06 0.00 0.01 -1.26 -0.75 113.70 113.49 3fed s SER 522 Ca 0.85 -0.79 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 3fed s SER 522 Cb -0.96 0.04 0.04 0.00 0.21 0.00 0.00 66.02 65.35 3fed s SER 522 CO 0.47 -0.30 0.44 -0.83 0.41 0.00 0.00 173.24 173.43 3fed s GLY 523 N -2.36 -0.31 0.01 3.44 0.00 -0.63 -2.29 107.32 105.17 3fed s GLY 523 Ca 0.03 0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.98 3fed s GLY 523 CO -0.01 0.04 0.14 1.09 0.00 0.00 0.00 173.10 174.36 3fed s ARG 524 N -2.73 0.51 -0.09 2.90 1.70 -0.08 -1.71 118.95 119.46 3fed s ARG 524 Ca -0.04 -0.45 -0.09 0.00 -0.47 0.00 0.00 55.73 54.68 3fed s ARG 524 Cb -0.00 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 3fed s ARG 524 CO -0.04 -0.13 0.24 0.00 -1.08 0.00 0.00 175.30 174.30 3fed s ALA 525 N -1.60 -0.60 0.23 7.88 0.00 -1.26 -1.40 121.76 125.01 3fed s ALA 525 Ca -0.13 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 3fed s ALA 525 Cb -0.06 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.71 3fed s ALA 525 CO 0.01 -0.12 0.65 -0.98 0.00 0.00 0.00 175.76 175.32 3fed s ARG 526 N 0.07 1.59 0.29 0.00 1.70 -0.52 -4.90 118.95 117.18 3fed s ARG 526 Ca -0.01 -0.83 -0.20 0.00 -0.47 0.00 0.00 55.73 54.22 3fed s ARG 526 Cb -0.02 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 34.86 3fed s ARG 526 CO 0.00 -0.71 0.80 0.71 -1.08 0.00 0.00 175.30 175.02 3fed s TYR 527 N -3.87 3.55 0.29 5.89 1.51 -0.05 -0.22 117.35 124.45 3fed s TYR 527 Ca 0.08 1.45 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3fed s TYR 527 Cb -0.04 -2.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 3fed s TYR 527 CO 0.00 0.20 0.36 -0.08 -1.11 0.00 0.00 175.55 174.92 3fed s THR 528 N -1.73 0.00 0.91 -0.71 -1.32 0.58 -1.49 115.64 111.88 3fed s THR 528 Ca 0.49 -1.74 -0.13 0.00 -1.21 0.00 0.00 61.69 59.10 3fed s THR 528 Cb -0.15 -2.50 0.14 0.00 -1.51 0.00 0.00 72.50 68.48 3fed s THR 528 CO 0.20 0.00 1.19 -1.59 -2.21 0.00 0.00 174.62 172.21 3fed s LYS 529 N -3.55 1.17 -0.48 7.08 -2.85 -1.26 -0.97 119.74 118.88 3fed s LYS 529 Ca 0.33 0.05 -0.22 0.00 -1.00 0.00 0.00 55.97 55.14 3fed s LYS 529 Cb 0.02 -1.86 0.04 0.00 -2.06 0.00 0.00 37.83 33.96 3fed s LYS 529 CO 0.18 -2.13 0.73 1.21 0.10 0.00 0.00 175.35 175.43 3fed s ASN 530 N -4.40 6.32 0.48 0.03 3.84 -1.26 -4.63 114.94 115.32 3fed s ASN 530 Ca 0.66 -0.42 0.26 0.00 0.21 0.00 0.00 52.86 53.57 3fed s ASN 530 Cb -0.11 -2.35 1.19 0.00 -0.55 0.00 0.00 41.25 39.43 3fed s ASN 530 CO 0.52 -0.92 1.94 0.07 -2.79 0.00 0.00 177.10 175.92 3fed h LYS 531 N 9.01 0.00 0.00 0.43 2.10 -1.95 0.20 116.57 126.36 3fed h LYS 531 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3fed h LYS 531 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3fed h LYS 531 CO 0.96 0.17 0.00 1.57 -2.00 0.00 0.00 179.45 180.15 3fed h LYS 532 N 0.00 0.00 0.00 0.07 5.09 -1.97 -3.33 116.57 116.43 3fed h LYS 532 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 3fed h LYS 532 Cb 0.56 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.89 3fed h LYS 532 CO 0.02 0.00 -1.02 0.25 -2.09 0.00 0.00 179.45 176.61 3fed n THR 533 N -2.84 0.01 -3.66 0.07 -2.24 -1.08 -4.99 114.28 99.54 3fed n THR 533 Ca 0.03 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 3fed n THR 533 Cb 0.43 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 3fed n THR 533 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fed s ASP 534 N -2.22 5.55 0.00 3.42 1.01 0.67 -4.97 116.67 120.13 3fed s ASP 534 Ca -0.00 -0.89 0.22 0.00 0.71 0.00 0.00 52.55 52.60 3fed s ASP 534 Cb 0.00 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.95 3fed s ASP 534 CO 0.02 -0.31 1.08 1.17 0.21 0.00 0.00 175.17 177.34 3fed n LYS 535 N 4.95 1.03 -1.82 8.23 3.00 -1.26 -4.56 118.16 127.73 3fed n LYS 535 Ca -0.13 -0.85 -0.32 0.00 -0.00 0.00 0.00 58.31 57.01 3fed n LYS 535 Cb 0.47 -1.48 0.03 0.00 0.00 0.00 0.00 35.03 34.05 3fed n LYS 535 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 3fed s TYR 536 N -2.55 2.86 0.38 5.64 1.13 -1.26 -4.86 117.35 118.69 3fed s TYR 536 Ca 0.17 1.51 -0.08 0.00 -1.41 0.00 0.00 57.07 57.26 3fed s TYR 536 Cb 0.18 -3.04 -0.06 0.00 -1.10 0.00 0.00 41.96 37.94 3fed s TYR 536 CO 0.61 -1.36 0.71 -1.12 -2.51 0.00 0.00 175.55 171.89 3fed s SER 537 N -2.93 6.46 0.12 -0.18 0.01 -0.35 -4.90 113.70 111.92 3fed s SER 537 Ca 0.63 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.88 3fed s SER 537 Cb -0.17 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3fed s SER 537 CO 0.43 -0.37 0.00 -1.20 0.41 0.00 0.00 173.24 172.51 3fed n SER 538 N -1.35 0.00 -4.12 2.44 7.64 -1.26 -4.51 113.62 112.46 3fed n SER 538 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 3fed n SER 538 Cb 0.54 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 3fed n SER 538 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3fed s TYR 539 N 0.00 0.75 0.25 1.43 -0.85 -1.26 -5.00 117.35 112.67 3fed s TYR 539 Ca 0.00 -0.84 -0.03 0.00 -0.52 0.00 0.00 57.07 55.68 3fed s TYR 539 Cb 0.00 -0.45 0.41 0.00 0.38 0.00 0.00 41.96 42.30 3fed s TYR 539 CO 0.00 -0.18 1.83 -1.35 -1.52 0.00 0.00 175.55 174.33 3fed h PRO 540 N 3.39 0.89 -0.58 -3.49 0.11 -1.81 -2.14 132.00 128.38 3fed h PRO 540 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3fed h PRO 540 Cb 1.17 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3fed h PRO 540 CO 0.59 0.59 0.00 1.33 -0.21 0.00 0.00 178.00 180.30 3fed n VAL 541 N -4.66 1.00 -1.64 3.15 0.24 -1.26 -4.50 118.33 110.65 3fed n VAL 541 Ca 0.15 -0.79 -0.56 0.00 -2.04 0.00 0.00 64.34 61.09 3fed n VAL 541 Cb 0.26 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.78 3fed n VAL 541 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fed n TYR 542 N 0.96 1.66 -1.76 6.34 9.36 -0.81 -1.64 117.16 131.28 3fed n TYR 542 Ca 0.19 0.68 -0.16 0.00 3.32 0.00 0.00 57.90 61.93 3fed n TYR 542 Cb 0.56 -2.35 -0.05 0.00 -0.63 0.00 0.00 39.34 36.87 3fed n TYR 542 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3fed n HIS 543 N 3.69 -0.27 -4.01 2.98 8.25 -1.26 -4.73 115.22 119.88 3fed n HIS 543 Ca 0.23 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.43 3fed n HIS 543 Cb 0.13 -2.90 -0.03 0.00 1.12 0.00 0.00 29.99 28.31 3fed n HIS 543 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3fed s THR 544 N -2.65 1.86 -0.90 1.59 -4.23 -0.66 -1.92 115.64 108.73 3fed s THR 544 Ca 0.00 -1.58 0.12 0.00 -1.18 0.00 0.00 61.69 59.05 3fed s THR 544 Cb 0.00 -2.44 0.11 0.00 1.34 0.00 0.00 72.50 71.51 3fed s THR 544 CO 0.00 0.00 1.38 2.30 -0.54 0.00 0.00 174.62 177.76 3fed n ILE 545 N -1.56 1.25 0.52 2.99 -5.35 -1.26 -3.38 119.36 112.57 3fed n ILE 545 Ca -0.03 0.34 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 3fed n ILE 545 Cb 0.64 -1.19 0.27 0.00 -1.74 0.00 0.00 39.64 37.62 3fed n ILE 545 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3fed n TYR 546 N -1.63 0.54 -2.54 4.28 4.01 -1.26 -4.61 117.16 115.95 3fed n TYR 546 Ca 0.02 -0.27 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 3fed n TYR 546 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3fed n TYR 546 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3fed s GLU 547 N -1.46 3.87 0.26 -0.72 2.02 -1.22 -4.77 118.70 116.68 3fed s GLU 547 Ca 0.36 -1.93 0.09 0.00 0.02 0.00 0.00 54.97 53.51 3fed s GLU 547 Cb 0.20 -5.52 -0.04 0.00 0.10 0.00 0.00 34.13 28.87 3fed s GLU 547 CO 0.27 -2.40 0.00 0.95 0.02 0.00 0.00 175.26 174.11 3fed s THR 548 N 4.77 3.50 0.29 3.63 -4.23 -1.26 -1.68 115.64 120.66 3fed s THR 548 Ca 0.55 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3fed s THR 548 Cb 0.04 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.29 3fed s THR 548 CO 0.08 -0.36 1.77 0.15 -0.54 0.00 0.00 174.62 175.72 3fed h PHE 549 N 1.90 0.94 -0.42 3.99 3.04 -1.92 -1.77 116.94 122.71 3fed h PHE 549 Ca -0.45 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.46 3fed h PHE 549 Cb 1.25 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 3fed h PHE 549 CO 0.68 0.20 -0.06 0.93 -2.02 0.00 0.00 178.31 178.04 3fed h GLU 550 N 0.70 0.71 -0.24 1.11 3.07 -1.96 -0.85 114.58 117.13 3fed h GLU 550 Ca 0.54 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 59.21 3fed h GLU 550 Cb 0.82 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 3fed h GLU 550 CO -0.39 0.77 0.10 1.25 -1.40 0.00 0.00 179.01 179.34 3fed h LEU 551 N 0.66 0.14 -0.13 1.33 5.85 -1.63 0.22 115.31 121.74 3fed h LEU 551 Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3fed h LEU 551 Cb 0.50 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3fed h LEU 551 CO 0.03 0.11 0.02 0.58 -0.34 0.00 0.00 178.44 178.84 3fed h VAL 552 N 0.22 1.22 -0.26 1.05 2.07 -1.01 -1.34 116.25 118.21 3fed h VAL 552 Ca 0.10 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 3fed h VAL 552 Cb 0.05 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3fed h VAL 552 CO -0.09 0.21 -0.44 -0.08 0.02 0.00 0.00 177.57 177.19 3fed h GLU 553 N -0.02 0.65 0.12 1.57 4.81 -1.10 -1.50 114.58 119.11 3fed h GLU 553 Ca 0.04 -0.35 -0.19 0.00 -0.13 0.00 0.00 59.36 58.72 3fed h GLU 553 Cb 0.30 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.72 3fed h GLU 553 CO 0.00 0.96 -0.82 -0.22 -0.73 0.00 0.00 179.01 178.20 3fed h LYS 554 N 0.52 0.35 0.00 1.92 3.64 -0.96 -3.13 116.57 118.91 3fed h LYS 554 Ca 0.04 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.76 3fed h LYS 554 Cb 0.98 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3fed h LYS 554 CO 0.09 1.23 -1.67 1.19 -2.27 0.00 0.00 179.45 178.02 3fed n PHE 555 N -4.11 0.00 -0.14 1.91 3.72 -0.51 -4.76 117.46 113.58 3fed n PHE 555 Ca -0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.98 3fed n PHE 555 Cb 0.81 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.82 3fed n PHE 555 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3fed n TYR 556 N -2.21 0.00 -2.74 1.38 4.02 -0.84 -4.94 117.16 111.82 3fed n TYR 556 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.70 3fed n TYR 556 Cb 0.64 -1.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.01 3fed n TYR 556 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3fed n ASP 557 N -4.13 -2.83 0.20 7.72 2.03 -0.63 -4.71 116.55 114.20 3fed n ASP 557 Ca -0.54 -3.15 0.07 0.00 0.52 0.00 0.00 54.79 51.70 3fed n ASP 557 Cb 0.90 1.75 0.60 0.00 -0.72 0.00 0.00 41.12 43.64 3fed n ASP 557 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fed h PRO 558 N 4.03 0.11 0.00 -0.67 0.13 -1.73 -0.64 132.00 133.23 3fed h PRO 558 Ca -0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3fed h PRO 558 Cb 1.05 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3fed h PRO 558 CO 0.26 0.07 -0.28 0.25 -0.23 0.00 0.00 178.00 178.07 3fed n THR 559 N -4.52 0.10 -1.19 1.56 -2.24 -1.26 -4.93 114.28 101.80 3fed n THR 559 Ca -0.01 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 3fed n THR 559 Cb 0.10 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3fed n THR 559 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fed n PHE 560 N -1.65 0.00 0.05 4.78 3.72 -0.25 -4.80 117.46 119.31 3fed n PHE 560 Ca 0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.39 3fed n PHE 560 Cb 0.36 -2.20 0.11 0.00 -0.94 0.00 0.00 39.48 36.80 3fed n PHE 560 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3fed h LYS 561 N 0.09 0.39 -0.24 -1.08 1.79 -1.92 -0.63 116.57 114.97 3fed h LYS 561 Ca -0.13 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.00 3fed h LYS 561 Cb 0.97 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3fed h LYS 561 CO 0.19 0.83 -0.22 0.87 -1.08 0.00 0.00 179.45 180.05 3fed h LYS 562 N 0.30 0.58 -0.96 3.15 1.57 -1.89 -1.23 116.57 118.09 3fed h LYS 562 Ca 0.01 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3fed h LYS 562 Cb 1.05 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 3fed h LYS 562 CO 0.09 0.89 0.62 1.96 -0.57 0.00 0.00 179.45 182.44 3fed h GLN 563 N 0.28 1.18 -0.73 3.15 4.20 -1.86 -2.12 115.11 119.21 3fed h GLN 563 Ca 0.04 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3fed h GLN 563 Cb 0.77 -0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 3fed h GLN 563 CO 0.06 0.78 0.48 1.25 -0.67 0.00 0.00 178.83 180.73 3fed h LEU 564 N 1.22 0.84 -1.31 1.46 5.85 -0.85 -1.48 115.31 121.04 3fed h LEU 564 Ca 0.38 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 3fed h LEU 564 Cb -0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3fed h LEU 564 CO -0.12 0.61 0.19 0.77 -0.34 0.00 0.00 178.44 179.55 3fed h SER 565 N 0.99 0.60 -0.41 1.25 4.64 -0.59 0.07 113.55 120.10 3fed h SER 565 Ca 0.27 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 3fed h SER 565 Cb -0.11 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 3fed h SER 565 CO -0.06 0.54 -0.27 0.58 -0.87 0.00 0.00 176.83 176.76 3fed h VAL 566 N 0.66 1.28 -0.75 0.95 2.07 -0.94 -1.45 116.25 118.06 3fed h VAL 566 Ca 0.16 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3fed h VAL 566 Cb 0.13 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3fed h VAL 566 CO -0.02 0.48 0.42 0.00 0.02 0.00 0.00 177.57 178.48 3fed h ALA 567 N 0.80 0.97 -0.61 1.67 0.00 -0.57 -0.13 119.26 121.38 3fed h ALA 567 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3fed h ALA 567 Cb 0.84 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3fed h ALA 567 CO 0.07 0.47 0.27 1.96 0.00 0.00 0.00 179.25 182.02 3fed h GLN 568 N 1.04 0.90 -0.16 0.00 4.20 -0.85 -0.05 115.11 120.20 3fed h GLN 568 Ca 0.27 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3fed h GLN 568 Cb 0.02 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3fed h GLN 568 CO -0.04 0.75 -0.05 1.25 -0.67 0.00 0.00 178.83 180.07 3fed h LEU 569 N 0.85 0.31 -0.68 1.46 5.85 -0.95 0.12 115.31 122.26 3fed h LEU 569 Ca 0.21 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fed h LEU 569 Cb 0.17 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3fed h LEU 569 CO -0.02 0.62 0.43 0.03 -0.34 0.00 0.00 178.44 179.17 3fed h ARG 570 N -0.00 0.91 -0.39 1.25 3.08 -0.93 -0.47 114.38 117.83 3fed h ARG 570 Ca 0.04 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3fed h ARG 570 Cb 0.49 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3fed h ARG 570 CO 0.02 0.62 -0.18 0.78 -1.07 0.00 0.00 179.97 180.14 3fed h GLY 571 N 0.93 0.89 1.52 0.04 0.00 -0.97 -2.44 103.07 103.03 3fed h GLY 571 Ca 0.25 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 3fed h GLY 571 CO -0.05 0.72 -0.03 0.00 0.00 0.00 0.00 176.54 177.18 3fed h ALA 572 N 0.81 1.27 -0.08 3.60 0.00 -0.75 -0.43 119.26 123.67 3fed h ALA 572 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fed h ALA 572 Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fed h ALA 572 CO 0.06 0.49 0.05 -0.07 0.00 0.00 0.00 179.25 179.78 3fed h LEU 573 N 0.56 0.10 -0.37 0.00 3.38 -0.97 -0.80 115.31 117.22 3fed h LEU 573 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3fed h LEU 573 Cb 0.40 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3fed h LEU 573 CO 0.02 0.09 0.12 0.58 0.09 0.00 0.00 178.44 179.34 3fed h VAL 574 N 0.09 0.88 -0.27 1.22 2.07 -1.11 -1.78 116.25 117.36 3fed h VAL 574 Ca 0.03 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3fed h VAL 574 Cb 0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3fed h VAL 574 CO -0.01 0.05 0.14 0.22 0.02 0.00 0.00 177.57 177.99 3fed h TYR 575 N 0.27 0.25 -0.32 1.57 3.20 -0.81 -0.49 116.97 120.64 3fed h TYR 575 Ca 0.17 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 3fed h TYR 575 Cb 0.15 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3fed h TYR 575 CO -0.15 0.14 -0.27 0.93 -1.64 0.00 0.00 178.16 177.17 3fed h GLU 576 N 0.29 0.66 -0.15 1.82 4.39 -0.92 -0.01 114.58 120.66 3fed h GLU 576 Ca 0.11 -0.27 -0.13 0.00 0.34 0.00 0.00 59.36 59.40 3fed h GLU 576 Cb 0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3fed h GLU 576 CO -0.07 0.86 -0.49 -0.07 -1.16 0.00 0.00 179.01 178.08 3fed h LEU 577 N 0.57 0.42 0.00 1.33 3.38 -1.08 -2.47 115.31 117.46 3fed h LEU 577 Ca 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3fed h LEU 577 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3fed h LEU 577 CO 0.06 0.84 -0.91 1.62 0.09 0.00 0.00 178.44 180.15 3fed h VAL 578 N 0.31 0.24 0.00 1.22 3.04 -0.73 -3.40 116.25 116.93 3fed h VAL 578 Ca 0.02 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 3fed h VAL 578 Cb 0.97 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3fed h VAL 578 CO 0.08 0.14 -1.34 -0.67 -1.01 0.00 0.00 177.57 174.77 3fed n ASP 579 N -2.87 3.02 -4.76 3.17 4.64 -0.05 -1.13 116.55 118.57 3fed n ASP 579 Ca -0.02 -0.02 -0.41 0.00 -1.38 0.00 0.00 54.79 52.96 3fed n ASP 579 Cb 0.65 1.36 -0.03 0.00 -1.04 0.00 0.00 41.12 42.06 3fed n ASP 579 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3fed s SER 580 N -2.91 6.97 0.10 1.67 0.15 -0.93 -4.66 113.70 114.09 3fed s SER 580 Ca -0.03 2.49 -0.23 0.00 0.70 0.00 0.00 55.95 58.88 3fed s SER 580 Cb 0.05 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.60 3fed s SER 580 CO 0.34 -0.39 1.73 0.50 1.20 0.00 0.00 173.24 176.62 3fed h LYS 581 N 3.87 -0.03 -5.28 5.44 3.64 -1.95 -3.38 116.57 118.88 3fed h LYS 581 Ca -0.47 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.30 3fed h LYS 581 Cb 1.22 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 3fed h LYS 581 CO 0.68 -0.02 -0.35 0.42 -2.27 0.00 0.00 179.45 177.90 3fed s ILE 582 N -6.19 5.29 0.14 2.00 -1.09 -1.26 -4.99 121.20 115.10 3fed s ILE 582 Ca -0.13 0.45 -0.34 0.00 -2.23 0.00 0.00 60.65 58.40 3fed s ILE 582 Cb 0.07 -3.61 -0.14 0.00 -1.58 0.00 0.00 42.46 37.20 3fed s ILE 582 CO 0.66 0.31 1.61 -0.38 -1.23 0.00 0.00 174.94 175.91 3fed n ILE 583 N 4.21 0.05 -1.73 2.92 5.41 -1.26 -4.84 119.36 124.12 3fed n ILE 583 Ca -0.12 -0.01 -0.40 0.00 1.00 0.00 0.00 62.75 63.23 3fed n ILE 583 Cb 0.52 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 37.85 3fed n ILE 583 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3fed n PRO 584 N 3.71 4.21 -4.02 0.38 -0.04 -1.26 -4.89 135.00 133.09 3fed n PRO 584 Ca 0.17 -2.96 -0.26 0.00 -0.04 0.00 0.00 63.50 60.41 3fed n PRO 584 Cb 0.29 -2.71 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 3fed n PRO 584 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fed s PHE 585 N 0.23 3.31 -0.15 0.54 0.08 -1.26 -4.55 117.98 116.17 3fed s PHE 585 Ca 0.60 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3fed s PHE 585 Cb 0.18 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3fed s PHE 585 CO -0.08 0.52 -0.14 1.21 -0.10 0.00 0.00 175.22 176.63 3fed s ASN 586 N -3.12 2.76 0.14 1.36 3.84 -0.92 -5.00 114.94 114.00 3fed s ASN 586 Ca 0.33 -0.53 0.08 0.00 0.21 0.00 0.00 52.86 52.95 3fed s ASN 586 Cb -0.11 -1.19 -0.17 0.00 -0.55 0.00 0.00 41.25 39.24 3fed s ASN 586 CO 0.26 -0.06 1.30 0.40 -2.79 0.00 0.00 177.10 176.21 3fed h ILE 587 N 6.08 1.59 0.00 -5.21 1.08 -1.91 -3.19 117.51 115.95 3fed h ILE 587 Ca -0.37 -3.24 -0.06 0.00 -0.39 0.00 0.00 64.86 60.80 3fed h ILE 587 Cb 1.13 2.78 -0.01 0.00 -3.07 0.00 0.00 36.82 37.66 3fed h ILE 587 CO 0.53 0.90 -0.28 1.56 -0.69 0.00 0.00 178.15 180.17 3fed h GLN 588 N 0.00 0.00 -0.17 2.37 4.20 -1.95 -0.88 115.11 118.68 3fed h GLN 588 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3fed h GLN 588 Cb 1.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 3fed h GLN 588 CO 0.12 0.28 -0.19 -0.44 -0.67 0.00 0.00 178.83 177.93 3fed h ASP 589 N 0.00 0.27 -0.50 1.46 3.32 -1.86 -1.37 116.42 117.74 3fed h ASP 589 Ca -0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 3fed h ASP 589 Cb 0.50 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3fed h ASP 589 CO 0.04 0.48 -0.16 0.22 -1.72 0.00 0.00 179.24 178.09 3fed h TYR 590 N 0.26 1.12 -0.82 4.55 5.03 -1.33 -1.61 116.97 124.17 3fed h TYR 590 Ca 0.05 -0.25 0.01 0.00 2.58 0.00 0.00 58.73 61.11 3fed h TYR 590 Cb 0.49 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 3fed h TYR 590 CO 0.01 1.07 0.54 0.00 -1.32 0.00 0.00 178.16 178.46 3fed h ALA 591 N 0.89 1.04 -0.56 1.82 0.00 -0.58 -0.34 119.26 121.54 3fed h ALA 591 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fed h ALA 591 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fed h ALA 591 CO 0.06 0.46 0.16 1.49 0.00 0.00 0.00 179.25 181.41 3fed h GLU 592 N 1.12 0.88 -0.56 0.00 4.57 -1.11 -2.15 114.58 117.32 3fed h GLU 592 Ca 0.30 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3fed h GLU 592 Cb -0.12 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 3fed h GLU 592 CO -0.06 0.81 0.33 0.00 -1.18 0.00 0.00 179.01 178.90 3fed h ALA 593 N 1.03 0.72 -0.53 2.92 0.00 -0.71 -2.06 119.26 120.62 3fed h ALA 593 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fed h ALA 593 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3fed h ALA 593 CO -0.00 0.22 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 3fed h LEU 594 N 0.76 0.66 -0.57 0.00 3.38 -0.83 0.09 115.31 118.79 3fed h LEU 594 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3fed h LEU 594 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3fed h LEU 594 CO -0.04 0.55 0.21 0.11 0.09 0.00 0.00 178.44 179.37 3fed h LYS 595 N 0.75 0.87 -0.39 1.13 1.57 -0.95 -0.22 116.57 119.32 3fed h LYS 595 Ca 0.19 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3fed h LYS 595 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3fed h LYS 595 CO -0.03 0.76 0.06 -0.97 -0.57 0.00 0.00 179.45 178.71 3fed h ASN 596 N 0.80 0.62 -0.08 0.86 -0.73 -0.62 -1.91 115.58 114.53 3fed h ASN 596 Ca 0.19 -0.26 -0.09 0.00 1.87 0.00 0.00 56.30 58.01 3fed h ASN 596 Cb 0.23 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 3fed h ASN 596 CO -0.01 0.73 -0.22 1.88 -0.37 0.00 0.00 177.43 179.44 3fed h TYR 597 N 0.50 0.54 -0.41 0.67 0.05 -0.79 -0.95 116.97 116.57 3fed h TYR 597 Ca 0.12 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 3fed h TYR 597 Cb 0.37 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3fed h TYR 597 CO 0.03 0.67 -0.09 0.00 -1.05 0.00 0.00 178.16 177.72 3fed h ALA 598 N 1.34 0.57 -0.86 3.88 0.00 -0.96 -1.68 119.26 121.55 3fed h ALA 598 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3fed h ALA 598 Cb 0.62 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3fed h ALA 598 CO 0.04 0.43 0.46 0.00 0.00 0.00 0.00 179.25 180.19 3fed h ALA 599 N 0.86 1.10 -0.34 0.00 0.00 -1.03 -1.57 119.26 118.28 3fed h ALA 599 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fed h ALA 599 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fed h ALA 599 CO 0.04 0.62 0.12 1.03 0.00 0.00 0.00 179.25 181.06 3fed h SER 600 N 1.20 0.48 -0.01 0.00 0.87 -0.91 0.08 113.55 115.26 3fed h SER 600 Ca 0.30 -0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 3fed h SER 600 Cb 0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3fed h SER 600 CO -0.05 0.53 -0.53 -0.29 -0.53 0.00 0.00 176.83 175.97 3fed h ILE 601 N 0.39 1.31 -0.59 2.23 6.09 -1.22 -1.75 117.51 123.97 3fed h ILE 601 Ca 0.11 -1.76 -0.05 0.00 -1.37 0.00 0.00 64.86 61.79 3fed h ILE 601 Cb 0.22 1.72 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 3fed h ILE 601 CO -0.01 0.55 0.17 0.22 -3.07 0.00 0.00 178.15 176.01 3fed h TYR 602 N 0.46 0.97 -0.70 2.19 3.20 -1.20 -2.57 116.97 119.32 3fed h TYR 602 Ca 0.01 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 3fed h TYR 602 Cb 1.07 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3fed h TYR 602 CO 0.05 0.81 0.32 -0.91 -1.64 0.00 0.00 178.16 176.79 3fed h ASN 603 N 0.85 0.90 -0.07 -2.11 2.35 -0.60 -1.23 115.58 115.67 3fed h ASN 603 Ca 0.19 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3fed h ASN 603 Cb 0.31 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3fed h ASN 603 CO -0.00 0.77 0.00 -0.07 -1.65 0.00 0.00 177.43 176.48 3fed h LEU 604 N 0.99 0.18 0.00 1.61 3.38 -0.95 -2.41 115.31 118.11 3fed h LEU 604 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fed h LEU 604 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fed h LEU 604 CO -0.03 0.22 -0.04 -1.54 0.09 0.00 0.00 178.44 177.14 3fed n SER 605 N -4.42 0.43 -0.03 -0.43 3.41 -0.48 -4.05 113.62 108.04 3fed n SER 605 Ca -0.01 0.49 0.02 0.00 -0.26 0.00 0.00 58.87 59.12 3fed n SER 605 Cb 0.16 -0.58 0.37 0.00 -0.26 0.00 0.00 64.21 63.89 3fed n SER 605 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fed h LYS 606 N 0.00 0.61 0.00 4.33 1.57 -1.24 0.31 116.57 122.15 3fed h LYS 606 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fed h LYS 606 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fed h LYS 606 CO 0.00 0.45 0.00 0.36 -0.57 0.00 0.00 179.45 179.69 3fed n LYS 607 N -4.42 0.01 -0.58 3.15 2.85 -1.26 -1.65 118.16 116.26 3fed n LYS 607 Ca 0.03 0.31 0.08 0.00 -1.05 0.00 0.00 58.31 57.68 3fed n LYS 607 Cb 0.10 -1.53 0.30 0.00 -0.65 0.00 0.00 35.03 33.25 3fed n LYS 607 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3fed n HIS 608 N -1.55 1.29 -0.24 5.58 8.25 0.09 -4.81 115.22 123.83 3fed n HIS 608 Ca 0.03 -0.80 0.04 0.00 -0.26 0.00 0.00 57.72 56.73 3fed n HIS 608 Cb 0.14 -0.36 0.16 0.00 1.12 0.00 0.00 29.99 31.06 3fed n HIS 608 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3fed h ASP 609 N 2.59 0.05 -0.92 0.41 3.58 -1.32 0.17 116.42 120.96 3fed h ASP 609 Ca 0.00 0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.61 3fed h ASP 609 Cb 1.57 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.74 3fed h ASP 609 CO 0.29 -0.00 0.61 -0.61 -2.88 0.00 0.00 179.24 176.65 3fed h GLN 610 N 0.29 1.13 -0.17 0.28 5.75 -1.87 -1.77 115.11 118.76 3fed h GLN 610 Ca 0.39 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.68 3fed h GLN 610 Cb 0.62 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3fed h GLN 610 CO -0.46 0.75 -0.47 1.96 -2.65 0.00 0.00 178.83 177.95 3fed h GLN 611 N 1.17 0.44 -0.70 1.69 7.50 -1.14 -0.33 115.11 123.74 3fed h GLN 611 Ca 0.37 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 59.27 3fed h GLN 611 Cb 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 3fed h GLN 611 CO -0.11 0.82 0.44 -0.07 -1.50 0.00 0.00 178.83 178.41 3fed h LEU 612 N 0.35 0.83 -0.24 1.46 3.38 -0.55 -0.70 115.31 119.85 3fed h LEU 612 Ca 0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3fed h LEU 612 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3fed h LEU 612 CO 0.08 0.63 0.03 0.74 0.09 0.00 0.00 178.44 180.01 3fed h THR 613 N 0.95 1.24 -0.27 0.22 2.02 -1.02 0.75 112.91 116.80 3fed h THR 613 Ca 0.25 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 3fed h THR 613 Cb -0.06 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3fed h THR 613 CO -0.05 0.25 -0.10 0.44 0.37 0.00 0.00 175.52 176.43 3fed h ASP 614 N 0.19 0.43 -0.42 4.18 3.32 -0.84 -2.73 116.42 120.55 3fed h ASP 614 Ca 0.07 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fed h ASP 614 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3fed h ASP 614 CO 0.01 0.57 0.00 1.41 -1.72 0.00 0.00 179.24 179.51 3fed n HIS 615 N -4.23 0.55 -3.28 4.55 8.25 -0.29 -4.98 115.22 115.79 3fed n HIS 615 Ca 0.00 -0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 57.02 3fed n HIS 615 Cb 0.30 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.47 3fed n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fed n GLY 616 N 1.53 -0.19 3.68 -1.41 0.00 -0.67 -4.95 105.19 103.18 3fed n GLY 616 Ca 0.20 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3fed n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fed s VAL 617 N -3.25 5.36 0.02 1.61 1.01 0.17 -5.04 120.40 120.28 3fed s VAL 617 Ca 0.35 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3fed s VAL 617 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3fed s VAL 617 CO 0.56 0.37 -0.05 -0.94 0.00 0.00 0.00 175.10 175.04 3fed s SER 618 N 0.84 0.49 0.00 3.32 1.04 -1.26 -4.61 113.70 113.51 3fed s SER 618 Ca 0.09 -0.40 0.18 0.00 0.48 0.00 0.00 55.95 56.30 3fed s SER 618 Cb -0.13 0.04 0.51 0.00 0.10 0.00 0.00 66.02 66.54 3fed s SER 618 CO 0.03 -0.17 1.42 0.49 0.98 0.00 0.00 173.24 175.98 3fed n PHE 619 N 1.93 0.54 -0.29 5.02 3.72 -1.26 -4.55 117.46 122.58 3fed n PHE 619 Ca -0.20 -0.27 0.01 0.00 -0.05 0.00 0.00 57.45 56.94 3fed n PHE 619 Cb 0.56 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.25 3fed n PHE 619 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3fed h ASP 620 N 3.03 0.71 -0.13 4.37 3.32 -2.00 -1.45 116.42 124.27 3fed h ASP 620 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3fed h ASP 620 Cb 0.68 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3fed h ASP 620 CO 0.00 0.43 -0.16 0.77 -1.72 0.00 0.00 179.24 178.56 3fed h SER 621 N 0.83 0.50 -0.22 6.45 4.64 -1.96 -0.64 113.55 123.16 3fed h SER 621 Ca 0.37 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3fed h SER 621 Cb 0.27 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3fed h SER 621 CO -0.21 0.68 -0.01 0.25 -0.87 0.00 0.00 176.83 176.67 3fed h LEU 622 N 0.47 0.38 -1.17 5.97 5.85 -1.58 -0.62 115.31 124.61 3fed h LEU 622 Ca 0.08 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 3fed h LEU 622 Cb 0.55 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3fed h LEU 622 CO 0.04 0.60 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.36 3fed h PHE 623 N 0.14 0.46 -0.47 1.25 0.04 -1.16 -1.28 116.94 115.93 3fed h PHE 623 Ca 0.06 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 3fed h PHE 623 Cb 0.41 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3fed h PHE 623 CO 0.04 0.55 -0.14 1.03 -0.60 0.00 0.00 178.31 179.19 3fed h SER 624 N 0.41 0.93 -0.54 2.17 0.87 -0.95 -1.07 113.55 115.36 3fed h SER 624 Ca 0.08 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 3fed h SER 624 Cb 0.46 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3fed h SER 624 CO 0.03 1.09 0.17 0.00 -0.53 0.00 0.00 176.83 177.59 3fed h ALA 625 N 0.87 0.71 -0.75 6.23 0.00 -0.78 -0.56 119.26 124.98 3fed h ALA 625 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3fed h ALA 625 Cb 0.70 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fed h ALA 625 CO 0.05 0.37 0.33 0.28 0.00 0.00 0.00 179.25 180.28 3fed h VAL 626 N 0.75 1.25 -0.50 0.00 2.07 -1.04 0.16 116.25 118.95 3fed h VAL 626 Ca 0.18 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3fed h VAL 626 Cb 0.27 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3fed h VAL 626 CO -0.01 0.31 0.31 0.50 0.02 0.00 0.00 177.57 178.70 3fed h LYS 627 N 1.07 0.67 -0.45 1.57 3.64 -0.86 -0.79 116.57 121.42 3fed h LYS 627 Ca 0.25 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3fed h LYS 627 Cb 0.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3fed h LYS 627 CO -0.03 0.48 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.62 3fed h ASN 628 N 0.67 0.78 -0.66 4.20 2.35 -0.58 -1.92 115.58 120.43 3fed h ASN 628 Ca 0.18 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3fed h ASN 628 Cb -0.03 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 3fed h ASN 628 CO -0.04 0.91 0.27 0.15 -1.65 0.00 0.00 177.43 177.08 3fed h PHE 629 N 0.72 0.99 -0.84 1.19 3.57 -0.47 -1.10 116.94 121.00 3fed h PHE 629 Ca 0.12 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3fed h PHE 629 Cb 0.58 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3fed h PHE 629 CO 0.03 0.77 0.40 1.03 -2.23 0.00 0.00 178.31 178.31 3fed h SER 630 N 0.93 1.10 -0.45 0.41 0.87 -0.70 0.27 113.55 115.98 3fed h SER 630 Ca 0.22 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3fed h SER 630 Cb 0.19 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3fed h SER 630 CO -0.02 0.93 0.19 -0.08 -0.53 0.00 0.00 176.83 177.32 3fed h GLU 631 N 1.19 0.66 -0.52 2.24 4.81 -1.18 -1.47 114.58 120.31 3fed h GLU 631 Ca 0.29 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3fed h GLU 631 Cb 0.12 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3fed h GLU 631 CO -0.04 0.59 -0.01 0.00 -0.73 0.00 0.00 179.01 178.82 3fed h ALA 632 N 1.04 0.99 -0.43 2.92 0.00 -0.80 -0.82 119.26 122.15 3fed h ALA 632 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3fed h ALA 632 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fed h ALA 632 CO -0.02 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.60 3fed h ALA 633 N 1.15 0.73 -0.18 0.00 0.00 -0.81 0.17 119.26 120.31 3fed h ALA 633 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3fed h ALA 633 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3fed h ALA 633 CO 0.03 0.66 0.01 0.66 0.00 0.00 0.00 179.25 180.61 3fed h SER 634 N 0.78 0.31 -0.56 0.00 4.64 -1.09 -1.97 113.55 115.65 3fed h SER 634 Ca 0.10 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3fed h SER 634 Cb 0.81 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 3fed h SER 634 CO 0.07 0.52 0.26 0.44 -0.87 0.00 0.00 176.83 177.25 3fed h ASP 635 N 0.08 0.78 -0.23 4.97 3.32 -1.05 -1.14 116.42 123.15 3fed h ASP 635 Ca 0.05 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3fed h ASP 635 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3fed h ASP 635 CO 0.01 0.68 0.10 0.15 -1.72 0.00 0.00 179.24 178.46 3fed h PHE 636 N 0.85 0.35 -0.16 4.55 3.57 -0.76 -1.40 116.94 123.94 3fed h PHE 636 Ca 0.21 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3fed h PHE 636 Cb 0.13 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3fed h PHE 636 CO 0.01 0.37 -0.22 0.45 -2.23 0.00 0.00 178.31 176.69 3fed h HIS 637 N 0.23 0.30 -0.76 0.41 3.86 -1.00 0.16 115.15 118.34 3fed h HIS 637 Ca 0.08 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 3fed h HIS 637 Cb 0.16 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3fed h HIS 637 CO -0.01 0.48 0.28 0.87 0.86 0.00 0.00 177.93 180.41 3fed h LYS 638 N 0.25 1.15 -0.00 2.45 1.57 -0.89 -2.67 116.57 118.42 3fed h LYS 638 Ca 0.04 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 3fed h LYS 638 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3fed h LYS 638 CO 0.04 0.94 -0.86 0.00 -0.57 0.00 0.00 179.45 179.00 3fed h ARG 639 N 1.11 0.22 -0.59 3.15 3.08 -0.66 -3.30 114.38 117.39 3fed h ARG 639 Ca 0.25 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3fed h ARG 639 Cb 0.24 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3fed h ARG 639 CO -0.02 0.95 0.23 1.25 -1.07 0.00 0.00 179.97 181.32 3fed h LEU 640 N 0.13 0.78 -0.90 3.04 5.85 -0.39 -1.03 115.31 122.79 3fed h LEU 640 Ca -0.04 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3fed h LEU 640 Cb 1.48 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3fed h LEU 640 CO 0.13 0.71 0.00 0.16 -0.34 0.00 0.00 178.44 179.10 3fed h ILE 641 N 0.85 0.00 -0.01 4.05 3.07 -1.56 -2.42 117.51 121.49 3fed h ILE 641 Ca 0.20 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3fed h ILE 641 Cb 0.17 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 3fed h ILE 641 CO -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 178.15 176.73 3fed n GLN 642 N -2.43 0.65 -1.81 0.16 1.13 -0.40 -4.98 117.38 109.70 3fed n GLN 642 Ca 0.02 -0.40 -0.40 0.00 -1.94 0.00 0.00 57.00 54.27 3fed n GLN 642 Cb 0.24 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.11 3fed n GLN 642 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fed s VAL 643 N -2.63 2.09 -0.58 5.09 0.11 -0.91 -4.90 120.40 118.66 3fed s VAL 643 Ca 0.20 0.08 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 3fed s VAL 643 Cb 0.19 -3.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.01 3fed s VAL 643 CO 0.58 0.02 1.29 -0.62 -3.33 0.00 0.00 175.10 173.03 3fed s ASP 644 N -0.35 6.30 0.25 3.54 -1.08 -1.26 -4.86 116.67 119.20 3fed s ASP 644 Ca 0.57 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.96 3fed s ASP 644 Cb -0.45 -2.55 0.98 0.00 -1.46 0.00 0.00 42.92 39.44 3fed s ASP 644 CO 0.59 -1.60 1.66 0.18 0.52 0.00 0.00 175.17 176.53 3fed n LEU 645 N 8.97 0.58 -1.04 -1.34 4.77 -1.26 -1.30 117.00 126.38 3fed n LEU 645 Ca 0.10 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 56.84 3fed n LEU 645 Cb 0.49 -0.63 0.25 0.00 -2.33 0.00 0.00 43.42 41.20 3fed n LEU 645 CO 0.71 -0.63 0.71 0.59 -1.33 0.00 0.00 177.39 177.45 3fed n ASN 646 N -2.18 3.02 -4.14 -1.43 3.02 -1.26 -4.74 115.26 107.54 3fed n ASN 646 Ca 0.01 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.20 3fed n ASN 646 Cb 0.18 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 3fed n ASN 646 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fed s ASN 647 N -1.01 5.30 0.33 6.41 3.84 -0.42 -4.99 114.94 124.39 3fed s ASN 647 Ca 0.38 -1.93 0.02 0.00 0.21 0.00 0.00 52.86 51.53 3fed s ASN 647 Cb 0.20 -1.85 0.56 0.00 -0.55 0.00 0.00 41.25 39.61 3fed s ASN 647 CO 0.26 -0.54 1.92 -0.65 -2.79 0.00 0.00 177.10 175.30 3fed h PRO 648 N 8.11 0.75 -0.18 0.43 0.11 -1.85 -1.61 132.00 137.76 3fed h PRO 648 Ca -0.15 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 65.72 3fed h PRO 648 Cb 1.05 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3fed h PRO 648 CO 0.71 0.61 -0.47 0.82 -0.21 0.00 0.00 178.00 179.45 3fed h ILE 649 N 0.75 1.32 -0.47 4.15 1.08 -1.95 -0.34 117.51 122.05 3fed h ILE 649 Ca 0.18 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.96 3fed h ILE 649 Cb 0.13 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 3fed h ILE 649 CO -0.02 0.52 0.26 0.00 -0.69 0.00 0.00 178.15 178.22 3fed h ALA 650 N 1.10 0.61 -0.24 1.87 0.00 -1.74 -0.16 119.26 120.70 3fed h ALA 650 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fed h ALA 650 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3fed h ALA 650 CO 0.09 0.13 0.11 0.28 0.00 0.00 0.00 179.25 179.86 3fed h VAL 651 N 0.62 1.15 -0.69 0.00 2.07 -1.20 -2.73 116.25 115.48 3fed h VAL 651 Ca 0.17 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3fed h VAL 651 Cb 0.05 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3fed h VAL 651 CO -0.03 0.15 0.29 -0.09 0.02 0.00 0.00 177.57 177.91 3fed h ARG 652 N 0.26 1.00 -0.61 1.57 9.65 -0.74 -0.01 114.38 125.50 3fed h ARG 652 Ca 0.08 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 3fed h ARG 652 Cb 0.14 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3fed h ARG 652 CO -0.01 0.80 0.18 0.52 2.80 0.00 0.00 179.97 184.26 3fed h MET 653 N 0.99 0.96 -0.15 0.20 2.86 -0.94 0.40 114.93 119.25 3fed h MET 653 Ca 0.23 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 3fed h MET 653 Cb 0.16 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3fed h MET 653 CO -0.02 0.86 -0.57 0.52 1.06 0.00 0.00 176.91 178.76 3fed h MET 654 N 0.88 0.47 -0.38 1.72 2.86 -1.17 -2.55 114.93 116.77 3fed h MET 654 Ca 0.20 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3fed h MET 654 Cb 0.31 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3fed h MET 654 CO -0.00 0.91 0.11 -0.91 1.06 0.00 0.00 176.91 178.08 3fed h ASN 655 N 0.35 0.50 -0.52 1.22 2.35 -0.77 -1.12 115.58 117.58 3fed h ASN 655 Ca 0.00 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3fed h ASN 655 Cb 1.11 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 3fed h ASN 655 CO 0.10 0.49 0.02 0.44 -1.65 0.00 0.00 177.43 176.83 3fed h ASP 656 N 0.54 0.93 -0.68 5.81 5.19 -0.74 0.90 116.42 128.37 3fed h ASP 656 Ca 0.13 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 3fed h ASP 656 Cb 0.17 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 3fed h ASP 656 CO -0.01 0.97 0.15 1.56 -3.12 0.00 0.00 179.24 178.79 3fed h GLN 657 N 0.89 1.11 -0.42 3.56 4.20 -0.95 -0.14 115.11 123.36 3fed h GLN 657 Ca 0.17 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3fed h GLN 657 Cb 0.49 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3fed h GLN 657 CO 0.02 0.99 0.17 -0.07 -0.67 0.00 0.00 178.83 179.28 3fed h LEU 658 N 1.04 0.57 -0.71 1.46 3.38 -0.82 -2.42 115.31 117.81 3fed h LEU 658 Ca 0.21 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3fed h LEU 658 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3fed h LEU 658 CO 0.01 0.57 -0.13 -0.03 0.09 0.00 0.00 178.44 178.95 3fed h MET 659 N 0.53 0.86 -0.02 1.13 4.05 -0.63 -3.18 114.93 117.67 3fed h MET 659 Ca 0.14 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 3fed h MET 659 Cb 0.18 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3fed h MET 659 CO -0.01 0.94 -0.02 1.28 0.23 0.00 0.00 176.91 179.33 3fed n LEU 660 N -4.15 1.73 -0.03 3.39 4.77 -0.08 -4.23 117.00 118.40 3fed n LEU 660 Ca 0.01 -0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.31 3fed n LEU 660 Cb 0.39 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3fed n LEU 660 CO 0.44 0.29 0.82 0.25 -1.33 0.00 0.00 177.39 177.86 3fed h LEU 661 N 2.69 0.18 -1.71 2.23 7.12 -1.41 -2.02 115.31 122.38 3fed h LEU 661 Ca 0.00 -0.19 0.01 0.00 0.13 0.00 0.00 57.88 57.83 3fed h LEU 661 Cb 0.59 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.65 3fed h LEU 661 CO 0.00 0.32 0.21 -0.08 -0.13 0.00 0.00 178.44 178.76 3fed h GLU 662 N 0.03 0.39 0.00 1.25 4.57 -1.80 -1.21 114.58 117.81 3fed h GLU 662 Ca 0.04 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3fed h GLU 662 Cb 0.20 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3fed h GLU 662 CO -0.00 0.26 -0.16 0.00 -1.18 0.00 0.00 179.01 177.93 3fed h ARG 663 N 0.40 0.00 0.00 1.92 2.47 -1.28 -2.61 114.38 115.28 3fed h ARG 663 Ca 0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3fed h ARG 663 Cb -0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3fed h ARG 663 CO -0.03 0.16 -0.01 0.00 0.56 0.00 0.00 179.97 180.65 3fed h ALA 664 N 1.84 1.01 -0.00 0.04 0.00 -0.89 -2.05 119.26 119.21 3fed h ALA 664 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fed h ALA 664 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fed h ALA 664 CO 0.02 0.01 -0.03 1.19 0.00 0.00 0.00 179.25 180.44 3fed n PHE 665 N -3.12 0.00 -3.16 0.00 3.72 -0.98 -4.67 117.46 109.24 3fed n PHE 665 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3fed n PHE 665 Cb 0.23 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 3fed n PHE 665 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fed s ILE 666 N -2.28 5.05 -0.28 4.37 -1.09 -0.77 -1.25 121.20 124.96 3fed s ILE 666 Ca 0.37 1.11 -0.08 0.00 -2.23 0.00 0.00 60.65 59.82 3fed s ILE 666 Cb 0.21 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3fed s ILE 666 CO 0.42 0.14 0.09 -0.62 -1.23 0.00 0.00 174.94 173.74 3fed s ASP 667 N 1.16 5.19 0.55 3.58 -1.08 0.44 -4.97 116.67 121.54 3fed s ASP 667 Ca 0.27 -0.47 0.37 0.00 -0.52 0.00 0.00 52.55 52.20 3fed s ASP 667 Cb -0.16 -1.92 1.96 0.00 -1.46 0.00 0.00 42.92 41.34 3fed s ASP 667 CO 0.10 -0.13 2.13 1.55 0.52 0.00 0.00 175.17 179.34 3fed h PRO 668 N 8.26 0.00 0.00 4.34 0.13 -1.97 -0.80 132.00 141.96 3fed h PRO 668 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3fed h PRO 668 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3fed h PRO 668 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 3fed n LEU 669 N -2.84 0.40 0.00 1.56 4.77 -1.26 -5.02 117.00 114.61 3fed n LEU 669 Ca -0.02 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.54 3fed n LEU 669 Cb 0.09 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3fed n LEU 669 CO 0.18 -0.18 -0.04 0.61 -1.33 0.00 0.00 177.39 176.63 3fed n GLY 670 N 1.00 -1.93 3.96 -0.72 0.00 -0.31 -4.81 105.19 102.38 3fed n GLY 670 Ca 0.05 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 3fed n GLY 670 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fed s LEU 671 N 0.00 3.92 0.03 0.99 1.43 -0.80 -4.95 118.68 119.30 3fed s LEU 671 Ca 0.00 0.15 -0.34 0.00 -1.03 0.00 0.00 54.13 52.91 3fed s LEU 671 Cb 0.00 -3.02 -0.12 0.00 0.03 0.00 0.00 46.19 43.07 3fed s LEU 671 CO 0.00 -0.44 1.77 -2.65 0.23 0.00 0.00 176.35 175.25 3fed n PRO 672 N -1.79 2.24 -0.88 1.29 -0.02 -1.26 -0.74 135.00 133.85 3fed n PRO 672 Ca -0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3fed n PRO 672 Cb 0.57 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3fed n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fed n GLY 673 N 4.02 0.53 2.43 -1.23 0.00 -1.26 -4.92 105.19 104.76 3fed n GLY 673 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3fed n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fed s LYS 674 N -0.49 0.78 0.61 1.61 1.02 0.08 -4.98 119.74 118.38 3fed s LYS 674 Ca 0.00 -1.81 0.34 0.00 0.02 0.00 0.00 55.97 54.52 3fed s LYS 674 Cb 0.00 -1.40 2.00 0.00 -0.52 0.00 0.00 37.83 37.90 3fed s LYS 674 CO 0.00 -1.31 2.29 -0.07 -0.92 0.00 0.00 175.35 175.33 3fed h LEU 675 N 6.20 0.00 -1.91 3.17 3.38 -1.88 -2.46 115.31 121.81 3fed h LEU 675 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fed h LEU 675 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3fed h LEU 675 CO 0.33 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.36 3fed n PHE 676 N -3.62 0.16 -3.68 1.13 3.72 -1.26 -4.54 117.46 109.37 3fed n PHE 676 Ca -0.03 -0.14 -0.39 0.00 -0.05 0.00 0.00 57.45 56.84 3fed n PHE 676 Cb 0.08 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 3fed n PHE 676 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3fed s TYR 677 N -1.10 3.29 -0.22 1.38 2.02 -1.13 -4.08 117.35 117.51 3fed s TYR 677 Ca 0.20 -1.42 0.05 0.00 -0.37 0.00 0.00 57.07 55.53 3fed s TYR 677 Cb 0.12 -2.54 -0.06 0.00 -0.40 0.00 0.00 41.96 39.09 3fed s TYR 677 CO 0.18 -0.76 0.21 0.54 -1.57 0.00 0.00 175.55 174.14 3fed n ARG 678 N 4.86 4.79 -2.67 -0.62 1.74 -0.10 -1.90 116.66 122.76 3fed n ARG 678 Ca -0.11 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 3fed n ARG 678 Cb 0.44 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 3fed n ARG 678 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3fed s HIS 679 N -1.57 3.57 -0.29 -1.55 2.46 -1.05 -0.42 115.29 116.45 3fed s HIS 679 Ca 0.02 1.62 0.20 0.00 0.47 0.00 0.00 55.06 57.36 3fed s HIS 679 Cb 0.04 -3.18 0.16 0.00 -0.13 0.00 0.00 32.58 29.47 3fed s HIS 679 CO 0.21 -0.22 1.41 0.82 -2.47 0.00 0.00 174.74 174.49 3fed h ILE 680 N 4.89 0.34 0.09 0.89 1.08 -1.56 -3.33 117.51 119.91 3fed h ILE 680 Ca -0.37 -1.50 -0.33 0.00 -0.39 0.00 0.00 64.86 62.27 3fed h ILE 680 Cb 1.19 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.00 3fed h ILE 680 CO 0.80 0.19 -1.77 0.40 -0.69 0.00 0.00 178.15 177.08 3fed h ILE 681 N 0.00 0.85 -4.04 -0.67 1.08 -1.92 -3.37 117.51 109.45 3fed h ILE 681 Ca -0.02 -2.58 -0.45 0.00 -0.39 0.00 0.00 64.86 61.42 3fed h ILE 681 Cb 1.18 2.57 -0.24 0.00 -3.07 0.00 0.00 36.82 37.26 3fed h ILE 681 CO 0.03 0.76 -0.80 -0.36 -0.69 0.00 0.00 178.15 177.10 3fed s PHE 682 N -2.59 1.28 0.12 1.37 0.40 -1.25 -0.57 117.98 116.74 3fed s PHE 682 Ca -0.13 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 3fed s PHE 682 Cb 0.07 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.86 3fed s PHE 682 CO 0.81 0.05 0.32 0.00 0.70 0.00 0.00 175.22 177.09 3fed s ALA 683 N -0.90 -0.56 0.37 5.36 0.00 -0.68 -4.35 121.76 121.01 3fed s ALA 683 Ca 0.02 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 3fed s ALA 683 Cb -0.08 0.64 -0.11 0.00 0.00 0.00 0.00 23.12 23.57 3fed s ALA 683 CO 0.01 -0.60 1.33 -2.30 0.00 0.00 0.00 175.76 174.20 3fed n PRO 684 N -0.17 2.19 -1.87 0.00 -0.02 -1.26 -0.43 135.00 133.45 3fed n PRO 684 Ca -0.14 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3fed n PRO 684 Cb 0.63 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3fed n PRO 684 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fed s SER 685 N -0.34 6.35 0.25 2.55 0.15 0.72 -4.75 113.70 118.63 3fed s SER 685 Ca 0.57 2.95 0.22 0.00 0.70 0.00 0.00 55.95 60.39 3fed s SER 685 Cb -0.53 -2.66 0.97 0.00 -1.71 0.00 0.00 66.02 62.09 3fed s SER 685 CO 0.61 -0.86 1.66 -1.54 1.20 0.00 0.00 173.24 174.32 3fed n SER 686 N 0.40 0.58 -0.00 5.45 3.41 -1.26 -2.16 113.62 120.04 3fed n SER 686 Ca 0.01 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3fed n SER 686 Cb 0.40 -0.78 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 3fed n SER 686 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fed n HIS 687 N -2.17 0.00 -3.13 7.33 8.25 -1.26 -4.87 115.22 119.37 3fed n HIS 687 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 3fed n HIS 687 Cb 0.17 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 3fed n HIS 687 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3fed s ASN 688 N -3.20 -1.00 0.63 0.41 2.47 -0.92 -4.81 114.94 108.52 3fed s ASN 688 Ca 0.04 0.03 0.39 0.00 0.42 0.00 0.00 52.86 53.74 3fed s ASN 688 Cb 0.15 1.57 2.09 0.00 -1.45 0.00 0.00 41.25 43.61 3fed s ASN 688 CO 0.83 -0.17 2.27 0.07 -3.72 0.00 0.00 177.10 176.38 3fed h LYS 689 N 7.40 0.00 0.00 0.43 2.10 -1.89 -1.04 116.57 123.57 3fed h LYS 689 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 3fed h LYS 689 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3fed h LYS 689 CO 0.02 0.01 -0.14 1.88 -2.00 0.00 0.00 179.45 179.22 3fed h TYR 690 N 0.00 0.00 -2.94 0.07 0.05 -1.88 -0.83 116.97 111.45 3fed h TYR 690 Ca -0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 3fed h TYR 690 Cb 0.12 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 3fed h TYR 690 CO 0.00 0.14 -0.31 0.00 -1.05 0.00 0.00 178.16 176.94 3fed s ALA 691 N -3.99 3.78 0.21 3.88 0.00 -0.40 -4.19 121.76 121.06 3fed s ALA 691 Ca -0.02 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 3fed s ALA 691 Cb 0.12 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 3fed s ALA 691 CO 0.59 0.57 0.70 0.20 0.00 0.00 0.00 175.76 177.82 3fed s GLY 692 N -1.38 2.59 -0.04 0.00 0.00 -1.26 -0.20 107.32 107.04 3fed s GLY 692 Ca 0.25 0.12 0.07 0.00 0.00 0.00 0.00 44.72 45.16 3fed s GLY 692 CO 0.13 0.47 -0.25 1.85 0.00 0.00 0.00 173.10 175.30 3fed s GLU 693 N -1.99 2.28 0.28 2.90 2.56 0.43 -4.76 118.70 120.41 3fed s GLU 693 Ca 0.42 -0.90 -0.08 0.00 0.00 0.00 0.00 54.97 54.42 3fed s GLU 693 Cb -0.16 -2.06 -0.06 0.00 2.00 0.00 0.00 34.13 33.84 3fed s GLU 693 CO 0.21 0.47 0.58 -1.54 -0.56 0.00 0.00 175.26 174.41 3fed s SER 694 N -0.39 6.53 -1.25 -1.70 1.04 -1.26 -1.69 113.70 114.98 3fed s SER 694 Ca 0.03 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 57.01 3fed s SER 694 Cb -0.12 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 63.85 3fed s SER 694 CO 0.01 -0.17 0.59 0.49 0.98 0.00 0.00 173.24 175.13 3fed n PHE 695 N -0.67 -1.33 -0.06 5.02 3.72 0.27 -4.66 117.46 119.74 3fed n PHE 695 Ca -0.00 0.11 0.05 0.00 -0.05 0.00 0.00 57.45 57.56 3fed n PHE 695 Cb 0.53 -2.73 0.41 0.00 -0.94 0.00 0.00 39.48 36.75 3fed n PHE 695 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fed h PRO 696 N -2.53 0.60 -0.58 -1.08 0.13 -1.74 0.37 132.00 127.17 3fed h PRO 696 Ca -0.71 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.28 3fed h PRO 696 Cb 1.39 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3fed h PRO 696 CO 0.54 0.39 -0.05 0.78 -0.23 0.00 0.00 178.00 179.44 3fed h GLY 697 N 0.61 1.14 0.76 1.56 0.00 -1.88 -1.11 103.07 104.16 3fed h GLY 697 Ca 0.20 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 3fed h GLY 697 CO -0.05 0.81 -0.31 -2.22 0.00 0.00 0.00 176.54 174.77 3fed h ILE 698 N 0.95 1.38 -0.35 2.60 2.04 -1.60 -2.66 117.51 119.88 3fed h ILE 698 Ca 0.16 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.46 3fed h ILE 698 Cb 0.61 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 3fed h ILE 698 CO 0.04 0.48 0.06 0.22 0.00 0.00 0.00 178.15 178.94 3fed h TYR 699 N -0.01 0.09 -0.10 1.37 3.20 -0.86 -1.25 116.97 119.41 3fed h TYR 699 Ca -0.01 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3fed h TYR 699 Cb 0.92 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3fed h TYR 699 CO 0.11 0.00 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.78 3fed h ASP 700 N 0.17 0.22 -0.09 -2.11 3.32 -1.27 -0.41 116.42 116.25 3fed h ASP 700 Ca 0.16 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3fed h ASP 700 Cb 0.19 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3fed h ASP 700 CO -0.23 0.61 -0.28 0.00 -1.72 0.00 0.00 179.24 177.62 3fed h ALA 701 N 1.40 1.00 0.00 3.45 0.00 -1.02 -3.21 119.26 120.88 3fed h ALA 701 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3fed h ALA 701 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fed h ALA 701 CO 0.06 0.59 -0.84 0.82 0.00 0.00 0.00 179.25 179.88 3fed h ILE 702 N 0.48 0.05 -2.57 0.00 1.08 -0.87 -3.44 117.51 112.23 3fed h ILE 702 Ca 0.06 -1.09 -0.53 0.00 -0.39 0.00 0.00 64.86 62.92 3fed h ILE 702 Cb 0.74 1.64 0.05 0.00 -3.07 0.00 0.00 36.82 36.18 3fed h ILE 702 CO 0.06 0.03 1.06 0.33 -0.69 0.00 0.00 178.15 178.93 3fed n PHE 703 N -2.78 2.69 -2.25 1.37 7.35 -0.20 -1.91 117.46 121.74 3fed n PHE 703 Ca 0.00 -0.05 -0.16 0.00 -0.76 0.00 0.00 57.45 56.48 3fed n PHE 703 Cb 0.57 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.68 3fed n PHE 703 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3fed n ASP 704 N 4.77 -4.69 0.24 -2.13 2.03 -1.26 -4.85 116.55 110.66 3fed n ASP 704 Ca 0.17 0.16 0.08 0.00 0.52 0.00 0.00 54.79 55.71 3fed n ASP 704 Cb 0.36 -3.99 0.59 0.00 -0.72 0.00 0.00 41.12 37.35 3fed n ASP 704 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3fed h ILE 705 N 0.00 0.98 0.00 5.18 2.10 -1.67 -1.33 117.51 122.77 3fed h ILE 705 Ca -0.37 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.07 3fed h ILE 705 Cb 1.24 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3fed h ILE 705 CO 0.46 0.14 0.00 1.05 -1.08 0.00 0.00 178.15 178.71 3fed h GLU 706 N 0.00 0.00 -0.32 2.19 9.09 -1.89 -2.15 114.58 121.51 3fed h GLU 706 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fed h GLU 706 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3fed h GLU 706 CO 0.02 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.17 3fed n ASN 707 N -3.07 3.30 -4.77 3.06 3.02 -0.50 -4.97 115.26 111.33 3fed n ASN 707 Ca -0.02 -1.98 -0.39 0.00 -0.03 0.00 0.00 54.58 52.16 3fed n ASN 707 Cb 0.17 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3fed n ASN 707 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fed s LYS 708 N -1.60 4.26 0.24 3.52 -0.14 -0.81 -4.94 119.74 120.27 3fed s LYS 708 Ca 0.37 1.96 -0.07 0.00 -1.36 0.00 0.00 55.97 56.88 3fed s LYS 708 Cb 0.22 -2.90 0.23 0.00 -1.68 0.00 0.00 37.83 33.69 3fed s LYS 708 CO 0.31 -0.18 1.88 0.00 -0.76 0.00 0.00 175.35 176.60 3fed h ALA 709 N 3.10 1.20 -3.54 5.17 0.00 -1.93 -3.38 119.26 119.89 3fed h ALA 709 Ca -0.48 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.64 3fed h ALA 709 Cb 1.23 -0.38 -0.39 0.00 0.00 0.00 0.00 17.79 18.26 3fed h ALA 709 CO 0.64 0.67 -0.67 1.21 0.00 0.00 0.00 179.25 181.10 3fed s ASN 710 N -6.20 4.90 0.26 0.00 3.84 -1.26 -4.97 114.94 111.50 3fed s ASN 710 Ca -0.13 -2.13 0.02 0.00 0.21 0.00 0.00 52.86 50.83 3fed s ASN 710 Cb 0.17 -1.68 0.34 0.00 -0.55 0.00 0.00 41.25 39.53 3fed s ASN 710 CO 0.83 -0.42 1.66 0.77 -2.79 0.00 0.00 177.10 177.14 3fed h SER 711 N 7.72 0.45 -0.35 -4.21 4.64 -1.94 -1.19 113.55 118.67 3fed h SER 711 Ca -0.06 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3fed h SER 711 Cb 1.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 3fed h SER 711 CO 0.57 0.79 0.15 0.03 -0.87 0.00 0.00 176.83 177.50 3fed h ARG 712 N 0.36 0.52 -0.54 4.77 3.08 -1.97 -1.33 114.38 119.28 3fed h ARG 712 Ca 0.04 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3fed h ARG 712 Cb 0.83 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3fed h ARG 712 CO 0.07 0.50 0.12 1.25 -1.07 0.00 0.00 179.97 180.84 3fed h LEU 713 N 0.43 0.83 -0.33 3.04 5.85 -1.95 -2.36 115.31 120.81 3fed h LEU 713 Ca 0.12 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3fed h LEU 713 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3fed h LEU 713 CO -0.01 0.85 0.17 0.00 -0.34 0.00 0.00 178.44 179.11 3fed h ALA 714 N 1.01 0.43 -0.01 1.25 0.00 -0.90 -2.08 119.26 118.96 3fed h ALA 714 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3fed h ALA 714 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fed h ALA 714 CO 0.00 -0.02 -0.49 -1.49 0.00 0.00 0.00 179.25 177.25 3fed h TRP 715 N 0.41 0.03 -0.32 0.00 4.06 -1.22 -2.33 115.95 116.57 3fed h TRP 715 Ca 0.12 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 3fed h TRP 715 Cb 0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3fed h TRP 715 CO -0.02 0.51 -0.00 0.87 -3.56 0.00 0.00 178.44 176.23 3fed h LYS 716 N 0.02 0.49 -0.44 0.49 1.57 -1.11 -1.11 116.57 116.48 3fed h LYS 716 Ca -0.00 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3fed h LYS 716 Cb 0.88 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3fed h LYS 716 CO 0.06 0.53 -0.07 1.49 -0.57 0.00 0.00 179.45 180.89 3fed h GLU 717 N 0.48 0.77 -0.31 3.15 4.57 -0.86 -0.41 114.58 121.97 3fed h GLU 717 Ca 0.10 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3fed h GLU 717 Cb 0.32 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3fed h GLU 717 CO 0.01 0.83 0.15 0.28 -1.18 0.00 0.00 179.01 179.10 3fed h VAL 718 N 0.71 1.16 -0.82 0.32 2.07 -1.03 -2.02 116.25 116.64 3fed h VAL 718 Ca 0.13 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3fed h VAL 718 Cb 0.54 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3fed h VAL 718 CO 0.03 0.16 0.54 0.11 0.02 0.00 0.00 177.57 178.43 3fed h LYS 719 N 0.36 1.08 -0.30 1.57 1.57 -0.88 -0.94 116.57 119.03 3fed h LYS 719 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fed h LYS 719 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fed h LYS 719 CO -0.01 0.72 0.19 -0.22 -0.57 0.00 0.00 179.45 179.56 3fed h LYS 720 N 1.11 0.41 0.00 3.15 3.64 -0.75 -1.62 116.57 122.51 3fed h LYS 720 Ca 0.30 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3fed h LYS 720 Cb -0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3fed h LYS 720 CO -0.06 0.30 -0.56 0.45 -2.27 0.00 0.00 179.45 177.31 3fed h HIS 721 N 0.40 0.00 -0.42 1.91 3.86 -0.84 -1.03 115.15 119.04 3fed h HIS 721 Ca 0.11 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3fed h HIS 721 Cb -0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3fed h HIS 721 CO -0.05 0.56 0.17 0.82 0.86 0.00 0.00 177.93 180.30 3fed h ILE 722 N 0.00 1.19 -0.76 2.45 2.04 -1.06 -1.62 117.51 119.75 3fed h ILE 722 Ca -0.01 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3fed h ILE 722 Cb 1.25 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3fed h ILE 722 CO 0.07 0.22 0.35 -1.28 0.00 0.00 0.00 178.15 177.51 3fed h SER 723 N 0.53 1.01 -0.41 1.72 0.87 -0.92 -0.70 113.55 115.64 3fed h SER 723 Ca 0.14 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3fed h SER 723 Cb 0.17 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3fed h SER 723 CO -0.01 0.87 0.16 0.40 -0.53 0.00 0.00 176.83 177.71 3fed h ILE 724 N 1.08 1.20 -0.65 2.23 2.04 -1.12 -0.96 117.51 121.33 3fed h ILE 724 Ca 0.26 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3fed h ILE 724 Cb 0.14 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3fed h ILE 724 CO -0.03 0.23 0.24 0.00 0.00 0.00 0.00 178.15 178.59 3fed h ALA 725 N 1.00 0.85 -0.33 1.87 0.00 -0.95 -0.51 119.26 121.19 3fed h ALA 725 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3fed h ALA 725 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fed h ALA 725 CO -0.01 0.49 0.08 0.00 0.00 0.00 0.00 179.25 179.80 3fed h ALA 726 N 1.10 0.43 -0.63 0.00 0.00 -0.96 -1.55 119.26 117.65 3fed h ALA 726 Ca 0.21 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3fed h ALA 726 Cb 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3fed h ALA 726 CO -0.01 0.10 0.37 0.35 0.00 0.00 0.00 179.25 180.06 3fed h PHE 727 N 0.38 0.69 -0.45 0.00 3.57 -1.00 -1.52 116.94 118.61 3fed h PHE 727 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3fed h PHE 727 Cb 0.30 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3fed h PHE 727 CO 0.02 0.37 -0.16 1.15 -2.23 0.00 0.00 178.31 177.46 3fed h THR 728 N 0.72 1.27 -0.37 4.41 2.02 -0.74 0.19 112.91 120.40 3fed h THR 728 Ca 0.27 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 3fed h THR 728 Cb 0.08 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3fed h THR 728 CO -0.13 0.44 -0.24 0.40 0.37 0.00 0.00 175.52 176.37 3fed h ILE 729 N 0.74 1.27 -0.72 3.11 2.04 -1.17 -0.56 117.51 122.23 3fed h ILE 729 Ca 0.11 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 3fed h ILE 729 Cb 0.72 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3fed h ILE 729 CO 0.05 0.45 0.23 -0.61 0.00 0.00 0.00 178.15 178.27 3fed h GLN 730 N 0.65 1.10 -0.47 2.37 5.75 -0.88 -0.44 115.11 123.19 3fed h GLN 730 Ca 0.09 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 3fed h GLN 730 Cb 0.74 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3fed h GLN 730 CO 0.06 0.94 0.15 0.00 -2.65 0.00 0.00 178.83 177.32 3fed h ALA 731 N 1.18 0.62 -0.69 3.38 0.00 -0.37 -0.33 119.26 123.06 3fed h ALA 731 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fed h ALA 731 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3fed h ALA 731 CO -0.01 0.28 0.45 0.00 0.00 0.00 0.00 179.25 179.97 3fed h ALA 732 N 1.00 0.88 -0.95 0.00 0.00 -0.83 -1.64 119.26 117.72 3fed h ALA 732 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3fed h ALA 732 Cb 0.28 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3fed h ALA 732 CO -0.00 0.26 0.61 0.00 0.00 0.00 0.00 179.25 180.11 3fed h ALA 733 N 1.27 1.30 0.00 0.00 0.00 -0.71 -1.79 119.26 119.33 3fed h ALA 733 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fed h ALA 733 Cb -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3fed h ALA 733 CO -0.08 0.42 -0.05 0.78 0.00 0.00 0.00 179.25 180.32 3fed h GLY 734 N 1.13 0.00 2.00 0.00 0.00 -0.12 -1.29 103.07 104.79 3fed h GLY 734 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3fed h GLY 734 CO -0.16 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.47 3fed h THR 735 N 0.00 0.00 0.00 4.70 1.35 -0.82 -2.96 112.91 115.18 3fed h THR 735 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3fed h THR 735 Cb 0.10 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3fed h THR 735 CO 0.01 0.00 -0.75 0.18 -0.25 0.00 0.00 175.52 174.71 3fed n LEU 736 N -2.34 0.63 -4.78 3.87 4.77 -0.49 -4.91 117.00 113.75 3fed n LEU 736 Ca 0.03 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 3fed n LEU 736 Cb 0.27 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3fed n LEU 736 CO 0.22 0.03 0.78 -0.54 -1.33 0.00 0.00 177.39 176.55 3fed s LYS 737 N -3.13 3.40 0.11 3.23 1.02 -1.12 -4.75 119.74 118.50 3fed s LYS 737 Ca 0.06 1.60 -0.07 0.00 0.02 0.00 0.00 55.97 57.59 3fed s LYS 737 Cb 0.15 -2.03 -0.16 0.00 -0.52 0.00 0.00 37.83 35.27 3fed s LYS 737 CO 0.75 -0.81 1.24 1.49 -0.92 0.00 0.00 175.35 177.10 3fed h GLU 738 N 1.26 0.45 0.00 1.68 4.81 -1.93 -3.51 114.58 117.34 3fed h GLU 738 Ca -0.50 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.20 3fed h GLU 738 Cb 1.26 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.80 3fed h GLU 738 CO 0.57 1.18 0.00 0.28 -0.73 0.00 0.00 179.01 180.31