#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fee h ILE 47 N 0.00 1.26 -0.69 2.46 1.08 -2.05 -1.00 117.51 118.57 3fee h ILE 47 Ca 0.00 -1.03 0.03 0.00 -0.39 0.00 0.00 64.86 63.47 3fee h ILE 47 Cb 0.00 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 3fee h ILE 47 CO 0.00 0.38 0.43 -0.09 -0.69 0.00 0.00 178.15 178.19 3fee h ARG 48 N 0.97 0.82 -0.70 2.37 2.43 -2.00 0.34 114.38 118.61 3fee h ARG 48 Ca 0.19 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3fee h ARG 48 Cb 0.45 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3fee h ARG 48 CO 0.01 0.54 0.26 2.35 -1.51 0.00 0.00 179.97 181.63 3fee h TRP 49 N 0.84 1.08 -0.73 2.20 7.01 -1.86 -1.25 115.95 123.24 3fee h TRP 49 Ca 0.28 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 3fee h TRP 49 Cb 0.02 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 3fee h TRP 49 CO -0.04 0.85 0.28 0.87 -2.79 0.00 0.00 178.44 177.60 3fee h LYS 50 N 1.01 1.09 -0.11 2.65 1.57 -0.49 0.71 116.57 123.00 3fee h LYS 50 Ca 0.23 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fee h LYS 50 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3fee h LYS 50 CO -0.02 0.90 0.08 1.25 -0.57 0.00 0.00 179.45 181.09 3fee h LEU 51 N 1.06 0.13 -0.23 2.94 5.85 -0.55 -2.09 115.31 122.42 3fee h LEU 51 Ca 0.24 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3fee h LEU 51 Cb 0.22 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3fee h LEU 51 CO -0.02 0.10 -0.22 0.58 -0.34 0.00 0.00 178.44 178.54 3fee h VAL 52 N 0.15 1.32 0.00 1.05 2.07 -1.05 -3.23 116.25 116.56 3fee h VAL 52 Ca 0.04 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 3fee h VAL 52 Cb -0.02 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3fee h VAL 52 CO -0.01 0.43 -0.16 0.28 0.02 0.00 0.00 177.57 178.13 3fee h SER 53 N 0.26 0.00 0.83 0.57 0.02 -0.84 -2.66 113.55 111.73 3fee h SER 53 Ca 0.04 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3fee h SER 53 Cb 0.77 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3fee h SER 53 CO 0.06 0.16 -0.47 -0.08 -1.14 0.00 0.00 176.83 175.36 3fee h GLU 54 N 0.00 0.00 -6.87 3.45 4.57 -1.39 -3.44 114.58 110.89 3fee h GLU 54 Ca -0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3fee h GLU 54 Cb 0.81 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.46 3fee h GLU 54 CO 0.02 0.47 0.60 -1.64 -1.18 0.00 0.00 179.01 177.28 3fee s MET 55 N -3.54 4.39 -0.03 1.92 -1.94 -1.00 -4.99 119.30 114.10 3fee s MET 55 Ca -0.00 2.13 0.03 0.00 -1.71 0.00 0.00 55.69 56.14 3fee s MET 55 Cb 0.11 -3.07 -0.00 0.00 2.01 0.00 0.00 34.83 33.88 3fee s MET 55 CO 0.71 -0.12 -0.12 0.15 -0.01 0.00 0.00 175.02 175.63 3fee s LYS 56 N -1.76 1.24 0.26 2.03 -0.14 -1.26 -5.02 119.74 115.09 3fee s LYS 56 Ca 0.49 -0.43 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 3fee s LYS 56 Cb -0.38 -1.13 0.44 0.00 -1.68 0.00 0.00 37.83 35.09 3fee s LYS 56 CO 0.50 0.18 1.84 0.00 -0.76 0.00 0.00 175.35 177.11 3fee h ALA 57 N 6.25 1.34 0.00 5.17 0.00 -1.90 -1.76 119.26 128.37 3fee h ALA 57 Ca -0.33 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3fee h ALA 57 Cb 1.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fee h ALA 57 CO 0.48 0.24 -0.30 1.49 0.00 0.00 0.00 179.25 181.16 3fee h GLU 58 N 0.97 0.00 -0.10 0.00 4.57 -1.91 -1.05 114.58 117.06 3fee h GLU 58 Ca 0.44 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.40 3fee h GLU 58 Cb 0.34 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3fee h GLU 58 CO -0.23 0.30 -0.80 -0.91 -1.18 0.00 0.00 179.01 176.19 3fee h ASN 59 N 0.00 0.88 -0.99 1.04 2.35 -1.77 -1.43 115.58 115.66 3fee h ASN 59 Ca -0.00 -0.67 0.02 0.00 -0.55 0.00 0.00 56.30 55.10 3fee h ASN 59 Cb 0.61 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3fee h ASN 59 CO 0.04 1.41 0.65 0.40 -1.65 0.00 0.00 177.43 178.28 3fee h ILE 60 N 0.41 1.21 -0.31 2.81 2.04 -0.79 -0.13 117.51 122.76 3fee h ILE 60 Ca -0.07 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3fee h ILE 60 Cb 1.45 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3fee h ILE 60 CO 0.16 0.24 0.15 0.50 0.00 0.00 0.00 178.15 179.21 3fee h LYS 61 N 1.30 0.44 -0.55 2.37 3.64 -1.07 0.90 116.57 123.60 3fee h LYS 61 Ca 0.38 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3fee h LYS 61 Cb -0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3fee h LYS 61 CO -0.10 0.40 -0.09 0.66 -2.27 0.00 0.00 179.45 178.05 3fee h SER 62 N 0.37 1.02 -0.33 4.20 4.64 -0.93 -0.21 113.55 122.30 3fee h SER 62 Ca 0.11 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3fee h SER 62 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3fee h SER 62 CO -0.01 1.12 0.20 -0.26 -0.87 0.00 0.00 176.83 177.00 3fee h PHE 63 N 0.91 0.38 -0.49 4.77 0.04 -0.77 -1.68 116.94 120.09 3fee h PHE 63 Ca 0.15 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3fee h PHE 63 Cb 0.65 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3fee h PHE 63 CO 0.04 0.22 0.26 1.25 -0.60 0.00 0.00 178.31 179.49 3fee h LEU 64 N 0.41 0.62 -0.81 1.54 5.85 -0.30 -1.68 115.31 120.94 3fee h LEU 64 Ca 0.13 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3fee h LEU 64 Cb -0.01 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3fee h LEU 64 CO -0.05 0.55 0.51 -0.09 -0.34 0.00 0.00 178.44 179.02 3fee h ARG 65 N 0.65 0.96 0.00 1.25 9.65 -0.90 -2.44 114.38 123.55 3fee h ARG 65 Ca 0.17 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3fee h ARG 65 Cb 0.07 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3fee h ARG 65 CO -0.03 0.63 -0.04 0.66 2.80 0.00 0.00 179.97 184.00 3fee h SER 66 N 0.99 0.00 -0.16 -3.80 4.64 -0.41 -3.03 113.55 111.78 3fee h SER 66 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3fee h SER 66 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3fee h SER 66 CO -0.13 0.04 0.00 0.49 -0.87 0.00 0.00 176.83 176.36 3fee n PHE 67 N -3.15 0.19 -0.71 4.77 3.72 -0.87 -4.51 117.46 116.91 3fee n PHE 67 Ca 0.00 -0.12 0.04 0.00 -0.05 0.00 0.00 57.45 57.32 3fee n PHE 67 Cb 0.31 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 3fee n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fee n THR 68 N 1.11 1.16 0.14 4.37 -2.24 -1.06 -4.69 114.28 113.06 3fee n THR 68 Ca 0.13 -1.31 -0.00 0.00 -2.27 0.00 0.00 64.05 60.59 3fee n THR 68 Cb 0.49 0.25 0.15 0.00 -2.10 0.00 0.00 70.33 69.13 3fee n THR 68 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fee h LYS 69 N 0.00 0.00 -5.16 -0.78 1.57 -1.79 -3.44 116.57 106.96 3fee h LYS 69 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 3fee h LYS 69 Cb 0.83 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.98 3fee h LYS 69 CO 0.00 0.62 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.26 3fee s LEU 70 N -7.26 2.47 0.72 2.94 1.43 -1.26 -5.05 118.68 112.68 3fee s LEU 70 Ca -0.00 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.03 3fee s LEU 70 Cb 0.11 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.96 3fee s LEU 70 CO 0.75 -0.26 1.20 -2.84 0.23 0.00 0.00 176.35 175.44 3fee s PRO 71 N -3.25 2.23 -0.39 1.29 0.02 -1.26 -4.68 135.00 128.95 3fee s PRO 71 Ca 0.13 1.74 0.10 0.00 0.02 0.00 0.00 61.00 62.99 3fee s PRO 71 Cb -0.01 -1.85 0.33 0.00 0.02 0.00 0.00 34.50 33.00 3fee s PRO 71 CO 0.01 -1.77 0.79 -2.39 -0.33 0.00 0.00 177.00 173.32 3fee n HIS 72 N -2.63 -0.59 -2.17 6.54 1.44 -0.97 -4.68 115.22 112.16 3fee n HIS 72 Ca 0.13 -3.40 -0.40 0.00 -2.01 0.00 0.00 57.72 52.04 3fee n HIS 72 Cb 0.50 0.05 -0.02 0.00 0.12 0.00 0.00 29.99 30.65 3fee n HIS 72 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3fee s LEU 73 N -2.22 4.38 0.36 2.39 2.96 -1.24 -1.30 118.68 124.01 3fee s LEU 73 Ca 0.36 2.59 -0.28 0.00 -0.22 0.00 0.00 54.13 56.57 3fee s LEU 73 Cb 0.32 -3.74 -0.12 0.00 0.50 0.00 0.00 46.19 43.15 3fee s LEU 73 CO -0.08 -0.56 1.41 0.00 -1.32 0.00 0.00 176.35 175.80 3fee n ALA 74 N 0.64 1.91 -0.54 5.97 0.00 -1.26 -2.16 120.51 125.07 3fee n ALA 74 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3fee n ALA 74 Cb 0.43 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3fee n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fee n GLY 75 N 0.67 0.99 3.89 0.00 0.00 -1.26 -5.02 105.19 104.46 3fee n GLY 75 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3fee n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fee s THR 76 N -3.17 4.71 0.27 2.61 -4.23 -0.92 -4.89 115.64 110.01 3fee s THR 76 Ca 0.00 -1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 3fee s THR 76 Cb 0.00 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.54 3fee s THR 76 CO 0.00 -0.33 1.90 -0.08 -0.54 0.00 0.00 174.62 175.57 3fee h GLU 77 N 1.33 1.18 -0.40 3.99 4.57 -1.96 -2.02 114.58 121.27 3fee h GLU 77 Ca -0.50 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 3fee h GLU 77 Cb 1.24 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3fee h GLU 77 CO 0.60 0.78 0.15 1.96 -1.18 0.00 0.00 179.01 181.32 3fee h GLN 78 N 1.21 0.57 0.00 1.92 4.20 -1.90 0.67 115.11 121.79 3fee h GLN 78 Ca 0.42 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3fee h GLN 78 Cb 0.09 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3fee h GLN 78 CO -0.15 0.48 -0.00 -0.97 -0.67 0.00 0.00 178.83 177.52 3fee h ASN 79 N 0.57 0.00 -0.11 1.46 -1.24 -1.58 -0.76 115.58 113.91 3fee h ASN 79 Ca 0.14 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 3fee h ASN 79 Cb 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 3fee h ASN 79 CO -0.01 0.00 -0.27 0.15 -1.29 0.00 0.00 177.43 176.01 3fee h PHE 80 N 0.00 0.49 -0.93 0.67 3.57 -1.07 -2.52 116.94 117.15 3fee h PHE 80 Ca -0.00 -0.19 0.07 0.00 3.53 0.00 0.00 57.97 61.38 3fee h PHE 80 Cb 0.91 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3fee h PHE 80 CO 0.00 0.89 0.60 -0.07 -2.23 0.00 0.00 178.31 177.50 3fee h LEU 81 N -0.05 0.94 -0.73 0.59 3.38 -0.64 -1.10 115.31 117.70 3fee h LEU 81 Ca -0.00 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3fee h LEU 81 Cb 0.87 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3fee h LEU 81 CO 0.06 0.60 -0.25 0.25 0.09 0.00 0.00 178.44 179.19 3fee h LEU 82 N 1.06 0.71 -0.48 1.67 5.85 -1.15 -0.48 115.31 122.48 3fee h LEU 82 Ca 0.40 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3fee h LEU 82 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3fee h LEU 82 CO -0.16 0.93 0.31 0.00 -0.34 0.00 0.00 178.44 179.18 3fee h ALA 83 N 1.12 0.62 -0.34 1.25 0.00 -0.86 -0.81 119.26 120.22 3fee h ALA 83 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fee h ALA 83 Cb 0.74 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3fee h ALA 83 CO 0.06 0.02 0.17 0.87 0.00 0.00 0.00 179.25 180.37 3fee h LYS 84 N 0.62 0.34 -0.28 0.00 1.79 -0.68 -0.62 116.57 117.75 3fee h LYS 84 Ca 0.19 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3fee h LYS 84 Cb -0.03 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3fee h LYS 84 CO -0.06 0.23 0.16 -0.22 -1.08 0.00 0.00 179.45 178.48 3fee h LYS 85 N 0.35 0.33 -0.69 3.15 3.64 -0.71 0.70 116.57 123.34 3fee h LYS 85 Ca 0.14 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3fee h LYS 85 Cb 0.05 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3fee h LYS 85 CO -0.10 0.22 0.44 0.82 -2.27 0.00 0.00 179.45 178.56 3fee h ILE 86 N 0.34 1.12 -0.36 2.00 2.04 -0.90 -0.84 117.51 120.91 3fee h ILE 86 Ca 0.11 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fee h ILE 86 Cb -0.01 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3fee h ILE 86 CO -0.05 0.16 0.23 -0.61 0.00 0.00 0.00 178.15 177.89 3fee h GLN 87 N 0.88 0.48 -0.62 2.37 4.15 -0.50 0.09 115.11 121.96 3fee h GLN 87 Ca 0.27 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.69 3fee h GLN 87 Cb -0.02 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 3fee h GLN 87 CO -0.09 0.33 0.38 1.15 -1.93 0.00 0.00 178.83 178.67 3fee h THR 88 N 0.49 1.07 -0.39 2.39 2.02 -0.56 -1.82 112.91 116.11 3fee h THR 88 Ca 0.13 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3fee h THR 88 Cb -0.04 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 3fee h THR 88 CO -0.03 0.14 0.12 1.56 0.37 0.00 0.00 175.52 177.68 3fee h GLN 89 N 0.74 0.60 -0.99 6.66 4.20 -0.67 -1.34 115.11 124.31 3fee h GLN 89 Ca 0.25 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.84 3fee h GLN 89 Cb 0.03 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 3fee h GLN 89 CO -0.11 0.61 0.66 -1.49 -0.67 0.00 0.00 178.83 177.83 3fee h TRP 90 N 0.48 1.24 -0.70 2.96 6.55 -0.60 0.67 115.95 126.55 3fee h TRP 90 Ca 0.12 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.94 3fee h TRP 90 Cb 0.26 -0.42 -0.03 0.00 -0.86 0.00 0.00 29.16 28.11 3fee h TRP 90 CO 0.01 0.77 0.22 0.87 -1.05 0.00 0.00 178.44 179.26 3fee h LYS 91 N 1.33 1.10 -0.86 0.49 1.57 -1.11 -2.13 116.57 116.96 3fee h LYS 91 Ca 0.37 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3fee h LYS 91 Cb -0.14 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 31.97 3fee h LYS 91 CO -0.08 0.94 0.51 -0.22 -0.57 0.00 0.00 179.45 180.03 3fee h LYS 92 N 1.04 1.18 0.00 3.15 3.64 -0.32 -1.80 116.57 123.46 3fee h LYS 92 Ca 0.23 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3fee h LYS 92 Cb 0.31 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3fee h LYS 92 CO -0.01 0.84 -0.04 0.74 -2.27 0.00 0.00 179.45 178.71 3fee h PHE 93 N 1.20 0.00 0.00 1.91 0.04 -0.57 -3.46 116.94 116.06 3fee h PHE 93 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 3fee h PHE 93 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3fee h PHE 93 CO 0.01 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 3fee n GLY 94 N -0.19 1.22 3.72 -1.45 0.00 -0.67 -4.24 105.19 103.57 3fee n GLY 94 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3fee n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fee s LEU 95 N 0.00 3.37 0.34 0.99 1.02 -0.84 -4.91 118.68 118.65 3fee s LEU 95 Ca 0.00 2.47 0.11 0.00 0.02 0.00 0.00 54.13 56.73 3fee s LEU 95 Cb 0.00 -4.60 0.62 0.00 0.02 0.00 0.00 46.19 42.23 3fee s LEU 95 CO 0.00 -2.28 1.77 0.44 0.02 0.00 0.00 176.35 176.31 3fee h ASP 96 N -0.13 0.05 -5.05 2.29 3.32 -1.26 -3.45 116.42 112.18 3fee h ASP 96 Ca -0.49 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 3fee h ASP 96 Cb 1.31 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.68 3fee h ASP 96 CO 0.50 0.46 -0.21 -0.94 -1.72 0.00 0.00 179.24 177.33 3fee s SER 97 N -6.91 -0.16 -0.29 6.45 1.04 -1.20 -4.95 113.70 107.68 3fee s SER 97 Ca -0.03 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.25 3fee s SER 97 Cb 0.14 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.82 3fee s SER 97 CO 0.74 -0.64 0.57 0.00 0.98 0.00 0.00 173.24 174.88 3fee s ALA 98 N -2.63 -2.14 0.11 5.32 0.00 -1.26 -2.19 121.76 118.97 3fee s ALA 98 Ca -0.04 1.38 0.09 0.00 0.00 0.00 0.00 51.96 53.39 3fee s ALA 98 Cb -0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3fee s ALA 98 CO -0.04 -1.53 -0.23 0.15 0.00 0.00 0.00 175.76 174.12 3fee s LYS 99 N 2.80 1.21 -0.04 0.00 1.02 0.05 -4.93 119.74 119.85 3fee s LYS 99 Ca 0.16 -1.23 -0.22 0.00 0.02 0.00 0.00 55.97 54.71 3fee s LYS 99 Cb -0.13 -1.53 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 3fee s LYS 99 CO -0.23 0.36 0.63 -0.51 -0.92 0.00 0.00 175.35 174.68 3fee s LEU 100 N -1.98 4.36 -0.17 3.17 1.43 -1.26 -0.51 118.68 123.73 3fee s LEU 100 Ca 0.09 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3fee s LEU 100 Cb -0.10 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.16 3fee s LEU 100 CO 0.05 -0.00 -0.21 -0.69 0.23 0.00 0.00 176.35 175.73 3fee s VAL 101 N 0.31 2.05 0.25 -1.59 1.01 0.27 -4.96 120.40 117.74 3fee s VAL 101 Ca 0.33 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3fee s VAL 101 Cb -0.18 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3fee s VAL 101 CO 0.17 0.54 0.02 -1.38 0.00 0.00 0.00 175.10 174.45 3fee s HIS 102 N 1.12 2.77 0.04 5.22 -3.43 -1.26 -0.39 115.29 119.36 3fee s HIS 102 Ca 0.01 -0.20 -0.01 0.00 -0.80 0.00 0.00 55.06 54.06 3fee s HIS 102 Cb -0.14 -1.25 -0.03 0.00 -1.43 0.00 0.00 32.58 29.73 3fee s HIS 102 CO -0.09 0.59 -0.02 0.71 -2.00 0.00 0.00 174.74 173.92 3fee s TYR 103 N -2.19 0.44 -0.33 0.38 2.02 -0.68 -4.91 117.35 112.08 3fee s TYR 103 Ca 0.31 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 3fee s TYR 103 Cb -0.07 -0.33 0.06 0.00 -0.40 0.00 0.00 41.96 41.22 3fee s TYR 103 CO 0.20 -0.33 0.06 -0.51 -1.57 0.00 0.00 175.55 173.40 3fee s ASP 104 N -2.51 5.03 0.22 2.29 1.01 -0.76 -0.45 116.67 121.49 3fee s ASP 104 Ca 0.01 -1.41 0.08 0.00 0.71 0.00 0.00 52.55 51.93 3fee s ASP 104 Cb 0.03 -1.76 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 3fee s ASP 104 CO -0.07 -0.33 -0.13 0.68 0.21 0.00 0.00 175.17 175.52 3fee s VAL 105 N 1.25 1.73 -0.19 -1.27 -7.23 -0.45 -4.80 120.40 109.43 3fee s VAL 105 Ca -0.02 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 3fee s VAL 105 Cb -0.20 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3fee s VAL 105 CO -0.01 -0.55 1.24 -0.22 -0.31 0.00 0.00 175.10 175.25 3fee s LEU 106 N -3.33 4.13 0.53 1.32 2.96 -1.26 -0.43 118.68 122.60 3fee s LEU 106 Ca 0.24 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 3fee s LEU 106 Cb -0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 3fee s LEU 106 CO 0.08 -0.79 0.19 -0.76 -1.32 0.00 0.00 176.35 173.75 3fee s LEU 107 N 3.58 2.49 -0.13 -0.68 1.43 -0.35 -4.80 118.68 120.21 3fee s LEU 107 Ca 0.54 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.10 3fee s LEU 107 Cb -0.20 -0.95 0.05 0.00 0.03 0.00 0.00 46.19 45.12 3fee s LEU 107 CO 0.15 -0.97 0.32 -0.55 0.23 0.00 0.00 176.35 175.53 3fee s SER 108 N -4.07 -0.38 0.04 2.29 0.15 -1.26 -0.90 113.70 109.57 3fee s SER 108 Ca 0.19 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.51 3fee s SER 108 Cb -0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3fee s SER 108 CO 0.12 -0.17 0.03 -0.31 1.20 0.00 0.00 173.24 174.11 3fee s TYR 109 N 1.21 0.32 0.76 3.44 2.02 -0.07 -4.80 117.35 120.23 3fee s TYR 109 Ca -0.09 -0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 55.78 3fee s TYR 109 Cb -0.09 -0.23 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 3fee s TYR 109 CO -0.09 -0.34 1.16 -2.14 -1.57 0.00 0.00 175.55 172.56 3fee s PRO 110 N -2.88 2.06 -0.30 -1.71 0.02 -1.26 -0.12 135.00 130.83 3fee s PRO 110 Ca -0.03 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 62.35 3fee s PRO 110 Cb 0.00 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3fee s PRO 110 CO -0.06 -1.85 0.69 1.21 -0.33 0.00 0.00 177.00 176.65 3fee s ASN 111 N -2.43 6.57 0.60 2.53 3.84 -1.26 -4.70 114.94 120.09 3fee s ASN 111 Ca 0.70 0.56 0.31 0.00 0.21 0.00 0.00 52.86 54.64 3fee s ASN 111 Cb -0.25 -2.36 1.89 0.00 -0.55 0.00 0.00 41.25 39.98 3fee s ASN 111 CO 0.48 -0.51 2.26 -0.33 -2.79 0.00 0.00 177.10 176.22 3fee h GLU 112 N 8.11 0.00 -0.31 0.43 3.07 -1.95 -2.35 114.58 121.58 3fee h GLU 112 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 3fee h GLU 112 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3fee h GLU 112 CO 0.83 0.01 0.00 0.25 -1.40 0.00 0.00 179.01 178.69 3fee n THR 113 N -3.75 1.65 -3.09 1.13 -2.24 -1.26 -4.63 114.28 102.09 3fee n THR 113 Ca -0.03 -1.43 -0.17 0.00 -2.27 0.00 0.00 64.05 60.14 3fee n THR 113 Cb 0.09 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 3fee n THR 113 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fee n ASN 114 N 0.02 -1.53 -4.76 3.42 5.15 -0.88 -5.14 115.26 111.54 3fee n ASN 114 Ca 0.17 -2.71 -0.38 0.00 -0.60 0.00 0.00 54.58 51.06 3fee n ASN 114 Cb 0.66 0.40 0.01 0.00 -0.53 0.00 0.00 39.78 40.32 3fee n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fee s ALA 115 N 0.15 2.93 0.39 5.20 0.00 -1.25 -4.46 121.76 124.73 3fee s ALA 115 Ca 0.32 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.16 3fee s ALA 115 Cb 0.08 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 3fee s ALA 115 CO -0.15 -0.92 0.92 -0.80 0.00 0.00 0.00 175.76 174.82 3fee s ASN 116 N -1.19 7.00 0.25 0.00 0.01 -1.26 -4.89 114.94 114.86 3fee s ASN 116 Ca 0.66 1.67 -0.22 0.00 -0.71 0.00 0.00 52.86 54.26 3fee s ASN 116 Cb -0.33 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 38.84 3fee s ASN 116 CO 0.40 -0.28 0.80 -0.72 -1.51 0.00 0.00 177.10 175.79 3fee s TYR 117 N -2.04 -0.15 0.05 2.20 -0.85 -0.24 -4.98 117.35 111.34 3fee s TYR 117 Ca 0.59 -0.27 0.09 0.00 -0.52 0.00 0.00 57.07 56.95 3fee s TYR 117 Cb -0.11 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 3fee s TYR 117 CO 0.16 -1.13 -0.25 0.42 -1.52 0.00 0.00 175.55 173.22 3fee s ILE 118 N -3.63 2.22 0.17 -3.49 1.09 -1.26 -0.62 121.20 115.69 3fee s ILE 118 Ca 0.12 -1.38 0.01 0.00 -1.10 0.00 0.00 60.65 58.29 3fee s ILE 118 Cb -0.05 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.43 3fee s ILE 118 CO 0.06 0.35 0.04 -0.94 -0.10 0.00 0.00 174.94 174.35 3fee s SER 119 N -1.30 0.83 -0.13 3.58 1.04 -0.12 -0.67 113.70 116.95 3fee s SER 119 Ca 0.12 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.33 3fee s SER 119 Cb -0.10 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 3fee s SER 119 CO 0.03 -0.67 -0.18 -0.63 0.98 0.00 0.00 173.24 172.76 3fee s ILE 120 N -3.84 2.49 0.26 -1.02 1.01 -0.28 -0.63 121.20 119.19 3fee s ILE 120 Ca 0.27 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.18 3fee s ILE 120 Cb 0.07 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 3fee s ILE 120 CO 0.05 0.54 -0.09 0.68 0.00 0.00 0.00 174.94 176.12 3fee s VAL 121 N 0.51 3.03 0.23 2.92 -7.23 -0.16 -0.41 120.40 119.28 3fee s VAL 121 Ca -0.12 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 3fee s VAL 121 Cb -0.16 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.23 3fee s VAL 121 CO 0.05 -0.36 0.31 -0.90 -0.31 0.00 0.00 175.10 173.89 3fee n ASP 122 N -0.68 0.44 0.00 4.85 3.85 -0.57 -1.53 116.55 122.91 3fee n ASP 122 Ca -0.06 -1.36 0.11 0.00 -0.71 0.00 0.00 54.79 52.76 3fee n ASP 122 Cb 0.59 -0.20 0.53 0.00 -1.35 0.00 0.00 41.12 40.69 3fee n ASP 122 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3fee n GLU 123 N -1.57 0.15 -0.55 0.11 0.28 -1.26 -2.17 120.64 115.63 3fee n GLU 123 Ca 0.05 0.09 0.09 0.00 -0.16 0.00 0.00 57.16 57.24 3fee n GLU 123 Cb 0.19 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 31.89 3fee n GLU 123 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3fee n HIS 124 N -1.40 1.33 -1.37 -1.84 8.25 -1.26 -4.94 115.22 113.98 3fee n HIS 124 Ca 0.08 -0.61 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 3fee n HIS 124 Cb 0.23 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 3fee n HIS 124 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fee n GLU 125 N 1.04 -1.13 -2.89 -0.41 1.02 -0.92 -4.99 120.64 112.36 3fee n GLU 125 Ca 0.24 0.93 -0.41 0.00 -0.02 0.00 0.00 57.16 57.91 3fee n GLU 125 Cb 0.83 -5.07 -0.04 0.00 -0.02 0.00 0.00 31.44 27.14 3fee n GLU 125 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fee s THR 126 N -2.36 4.96 -0.15 2.62 2.01 -1.26 -4.82 115.64 116.65 3fee s THR 126 Ca 0.00 1.72 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 3fee s THR 126 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3fee s THR 126 CO 0.00 0.20 1.60 -1.61 -0.69 0.00 0.00 174.62 174.12 3fee s GLU 127 N 0.96 3.99 -0.08 4.92 2.02 -1.26 -1.51 118.70 127.74 3fee s GLU 127 Ca 0.44 1.88 0.17 0.00 0.02 0.00 0.00 54.97 57.47 3fee s GLU 127 Cb -0.19 -3.99 -0.23 0.00 0.10 0.00 0.00 34.13 29.82 3fee s GLU 127 CO 0.22 -1.06 0.45 -0.89 0.02 0.00 0.00 175.26 174.00 3fee n ILE 128 N 5.94 1.21 -3.72 -1.63 2.08 0.45 -4.98 119.36 118.71 3fee n ILE 128 Ca 0.18 -0.76 -0.14 0.00 0.56 0.00 0.00 62.75 62.59 3fee n ILE 128 Cb 0.44 -0.60 -0.09 0.00 -0.75 0.00 0.00 39.64 38.65 3fee n ILE 128 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3fee s PHE 129 N -2.76 -0.33 -0.07 1.39 5.36 -1.16 -4.98 117.98 115.43 3fee s PHE 129 Ca -0.07 0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 56.50 3fee s PHE 129 Cb 0.08 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 3fee s PHE 129 CO 0.83 -0.37 0.16 0.21 -1.46 0.00 0.00 175.22 174.59 3fee s LYS 130 N -0.86 0.14 0.71 10.12 2.20 -1.26 -1.13 119.74 129.65 3fee s LYS 130 Ca -0.09 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 3fee s LYS 130 Cb -0.04 -0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3fee s LYS 130 CO 0.04 -0.11 1.08 0.95 -0.36 0.00 0.00 175.35 176.95 3fee s THR 131 N 0.73 3.72 0.10 3.43 -4.23 0.16 -5.00 115.64 114.56 3fee s THR 131 Ca -0.05 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3fee s THR 131 Cb -0.07 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.31 3fee s THR 131 CO -0.04 -0.73 0.04 -0.24 -0.54 0.00 0.00 174.62 173.11 3fee n SER 132 N -3.07 1.84 0.00 3.99 2.88 -1.26 -4.68 113.62 113.33 3fee n SER 132 Ca 0.07 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 3fee n SER 132 Cb 0.56 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3fee n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fee n LEU 134 N 0.00 0.00 -4.54 2.46 -0.00 -1.26 -5.06 117.00 108.60 3fee n LEU 134 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.69 3fee n LEU 134 Cb 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.44 3fee n LEU 134 CO 0.07 0.00 -0.45 -1.61 -0.00 0.00 0.00 177.39 175.40 3fee s GLU 135 N 0.00 2.06 0.77 1.47 0.41 -1.26 -5.12 118.70 117.02 3fee s GLU 135 Ca 0.00 -1.04 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 3fee s GLU 135 Cb 0.00 -2.25 0.05 0.00 -1.78 0.00 0.00 34.13 30.15 3fee s GLU 135 CO 0.00 0.51 1.10 -1.25 -0.49 0.00 0.00 175.26 175.13 3fee s PRO 136 N -2.03 2.23 0.94 0.39 0.04 -1.26 -5.01 135.00 130.29 3fee s PRO 136 Ca 0.19 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 3fee s PRO 136 Cb -0.11 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.70 3fee s PRO 136 CO 0.11 -1.67 1.10 -2.14 0.04 0.00 0.00 177.00 174.44 3fee s PRO 137 N -4.72 0.89 0.83 0.56 0.02 -1.26 -4.97 135.00 126.36 3fee s PRO 137 Ca 0.63 1.21 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 3fee s PRO 137 Cb -0.19 -1.74 0.10 0.00 0.02 0.00 0.00 34.50 32.69 3fee s PRO 137 CO 0.53 -2.61 1.15 -2.14 -0.33 0.00 0.00 177.00 173.61 3fee s PRO 138 N -4.71 1.59 0.10 5.54 0.02 -1.26 -4.77 135.00 131.51 3fee s PRO 138 Ca 0.65 1.53 -0.36 0.00 0.02 0.00 0.00 61.00 62.85 3fee s PRO 138 Cb -0.21 -1.79 -0.16 0.00 0.02 0.00 0.00 34.50 32.35 3fee s PRO 138 CO 0.59 -2.20 1.34 -0.25 -0.33 0.00 0.00 177.00 176.15 3fee n ASP 139 N -3.65 1.75 0.00 2.53 10.43 -1.26 -1.00 116.55 125.35 3fee n ASP 139 Ca 0.12 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.60 3fee n ASP 139 Cb 0.52 -1.21 0.00 0.00 1.84 0.00 0.00 41.12 42.26 3fee n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fee n GLY 140 N 2.55 1.90 0.79 0.44 0.00 -1.26 -4.89 105.19 104.72 3fee n GLY 140 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3fee n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fee n TYR 141 N -2.00 0.71 0.15 1.61 4.01 -0.17 -4.79 117.16 116.68 3fee n TYR 141 Ca 0.00 -1.21 0.11 0.00 -0.16 0.00 0.00 57.90 56.64 3fee n TYR 141 Cb 0.00 -0.34 0.63 0.00 -0.31 0.00 0.00 39.34 39.33 3fee n TYR 141 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3fee h GLU 142 N 1.08 0.05 -0.28 -0.72 3.07 -1.87 -0.40 114.58 115.52 3fee h GLU 142 Ca 0.08 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3fee h GLU 142 Cb 1.39 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3fee h GLU 142 CO 0.21 0.04 0.00 0.27 -1.40 0.00 0.00 179.01 178.13 3fee n ASN 143 N -4.49 1.81 -4.68 1.42 0.23 -1.26 -4.85 115.26 103.45 3fee n ASN 143 Ca 0.02 -1.88 -0.42 0.00 -0.53 0.00 0.00 54.58 51.77 3fee n ASN 143 Cb 0.25 -0.19 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 3fee n ASN 143 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3fee s VAL 144 N -1.63 4.87 -0.34 3.53 1.01 -0.16 -4.94 120.40 122.74 3fee s VAL 144 Ca 0.27 1.73 0.11 0.00 0.00 0.00 0.00 61.98 64.09 3fee s VAL 144 Cb 0.14 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 3fee s VAL 144 CO 0.20 0.04 0.38 0.35 0.00 0.00 0.00 175.10 176.07 3fee n THR 145 N 4.62 0.00 -1.74 3.92 -2.24 -1.26 -4.63 114.28 112.96 3fee n THR 145 Ca 0.05 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 3fee n THR 145 Cb 0.49 0.76 0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3fee n THR 145 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fee n ASN 146 N -1.46 3.63 -4.72 3.42 6.94 -1.26 -5.01 115.26 116.80 3fee n ASN 146 Ca 0.01 -3.81 -0.42 0.00 -0.02 0.00 0.00 54.58 50.33 3fee n ASN 146 Cb 0.20 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 3fee n ASN 146 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3fee s ILE 147 N -3.93 3.19 0.08 1.53 1.01 -1.26 -4.96 121.20 116.86 3fee s ILE 147 Ca 0.47 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3fee s ILE 147 Cb 0.40 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3fee s ILE 147 CO -0.01 0.07 1.03 0.54 0.00 0.00 0.00 174.94 176.58 3fee s VAL 148 N 0.99 4.42 0.93 2.92 0.11 -1.26 -5.01 120.40 123.50 3fee s VAL 148 Ca 0.64 1.89 -0.12 0.00 -2.93 0.00 0.00 61.98 61.47 3fee s VAL 148 Cb -0.38 -4.21 0.15 0.00 -1.53 0.00 0.00 36.38 30.41 3fee s VAL 148 CO 0.31 0.23 1.09 -2.16 -3.33 0.00 0.00 175.10 171.25 3fee s PRO 149 N 0.38 0.99 0.33 1.54 0.04 -1.26 -4.92 135.00 132.10 3fee s PRO 149 Ca 0.51 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 3fee s PRO 149 Cb -0.25 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3fee s PRO 149 CO 0.30 -2.40 1.42 -2.14 0.04 0.00 0.00 177.00 174.22 3fee s PRO 150 N -4.94 4.22 0.14 0.56 0.02 -1.26 -4.96 135.00 128.79 3fee s PRO 150 Ca 0.64 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.81 3fee s PRO 150 Cb -0.18 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.37 3fee s PRO 150 CO 0.57 -0.40 0.92 1.52 -0.33 0.00 0.00 177.00 179.29 3fee s TYR 151 N -0.88 -0.17 -0.33 6.54 1.13 -1.26 -4.85 117.35 117.52 3fee s TYR 151 Ca 0.53 -0.13 -0.03 0.00 -1.41 0.00 0.00 57.07 56.03 3fee s TYR 151 Cb -0.43 0.63 0.06 0.00 -1.10 0.00 0.00 41.96 41.12 3fee s TYR 151 CO 0.55 -0.83 0.07 -0.80 -2.51 0.00 0.00 175.55 172.04 3fee s ASN 152 N -2.88 5.07 0.28 -0.18 -0.87 -1.26 -3.38 114.94 111.72 3fee s ASN 152 Ca 0.11 -1.41 -0.30 0.00 -1.57 0.00 0.00 52.86 49.69 3fee s ASN 152 Cb -0.02 -1.77 -0.13 0.00 -0.02 0.00 0.00 41.25 39.31 3fee s ASN 152 CO 0.01 -0.34 1.42 0.00 -2.57 0.00 0.00 177.10 175.62 3fee n ALA 153 N 4.66 1.51 -0.99 0.60 0.00 -1.13 -1.88 120.51 123.29 3fee n ALA 153 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3fee n ALA 153 Cb 0.43 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3fee n ALA 153 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fee n PHE 154 N 1.53 0.00 -1.51 0.00 3.72 -1.26 -1.91 117.46 118.03 3fee n PHE 154 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 3fee n PHE 154 Cb 0.34 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 3fee n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fee n SER 155 N -0.04 -0.20 -4.71 4.37 2.88 -0.78 -4.19 113.62 110.94 3fee n SER 155 Ca 0.00 0.93 -0.31 0.00 -1.33 0.00 0.00 58.87 58.16 3fee n SER 155 Cb 0.02 -1.20 0.14 0.00 -0.75 0.00 0.00 64.21 62.42 3fee n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fee s ALA 156 N -1.43 1.74 0.19 -1.46 0.00 -1.05 -4.81 121.76 114.94 3fee s ALA 156 Ca 0.64 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 3fee s ALA 156 Cb -0.57 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.07 3fee s ALA 156 CO 0.57 -2.42 0.68 -0.65 0.00 0.00 0.00 175.76 173.93 3fee s GLN 157 N -4.71 4.20 0.00 0.00 -0.21 -1.26 -4.16 119.66 113.52 3fee s GLN 157 Ca 0.65 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.82 3fee s GLN 157 Cb -0.21 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 30.87 3fee s GLN 157 CO 0.57 0.44 0.00 0.41 -2.12 0.00 0.00 175.29 174.58 3fee n GLY 158 N 0.84 0.47 2.52 3.09 0.00 -0.29 -4.79 105.19 107.04 3fee n GLY 158 Ca -0.04 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3fee n GLY 158 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3fee n MET 159 N -0.56 1.98 -1.98 1.61 0.00 -1.26 -1.43 117.12 115.49 3fee n MET 159 Ca 0.00 -4.03 -0.36 0.00 0.00 0.00 0.00 57.70 53.32 3fee n MET 159 Cb 0.00 -1.93 0.04 0.00 0.00 0.00 0.00 33.22 31.32 3fee n MET 159 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3fee s PRO 160 N -2.91 2.94 -0.00 3.17 0.04 -1.23 -4.74 135.00 132.27 3fee s PRO 160 Ca 0.44 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.26 3fee s PRO 160 Cb 0.32 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.93 3fee s PRO 160 CO -0.10 -1.22 -0.04 -2.00 0.04 0.00 0.00 177.00 173.68 3fee s GLU 161 N -3.41 0.35 -0.00 4.56 2.12 -1.26 -1.37 118.70 119.68 3fee s GLU 161 Ca 0.76 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 3fee s GLU 161 Cb -0.29 -0.34 0.01 0.00 0.26 0.00 0.00 34.13 33.76 3fee s GLU 161 CO 0.34 0.08 0.08 0.41 -0.54 0.00 0.00 175.26 175.63 3fee n GLY 162 N 3.02 0.46 3.82 -1.50 0.00 -0.34 -4.95 105.19 105.70 3fee n GLY 162 Ca -0.13 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3fee n GLY 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fee s ASP 163 N -1.17 6.73 -0.01 1.61 1.01 -1.26 -1.30 116.67 122.28 3fee s ASP 163 Ca 0.02 1.69 -0.10 0.00 0.71 0.00 0.00 52.55 54.88 3fee s ASP 163 Cb -0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3fee s ASP 163 CO -0.00 -0.51 0.30 -0.22 0.21 0.00 0.00 175.17 174.95 3fee s LEU 164 N -3.50 4.40 -0.03 1.23 2.96 -1.26 -1.36 118.68 121.12 3fee s LEU 164 Ca 0.62 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3fee s LEU 164 Cb -0.10 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.06 3fee s LEU 164 CO 0.20 0.30 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.79 3fee s VAL 165 N -1.18 0.47 -0.13 1.68 1.01 -0.39 -2.80 120.40 119.06 3fee s VAL 165 Ca 0.24 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 3fee s VAL 165 Cb -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3fee s VAL 165 CO 0.13 0.19 0.61 -0.47 0.00 0.00 0.00 175.10 175.56 3fee s TYR 166 N 0.64 3.49 -0.18 5.22 5.04 -0.29 -0.78 117.35 130.49 3fee s TYR 166 Ca -0.08 1.04 0.13 0.00 -2.44 0.00 0.00 57.07 55.72 3fee s TYR 166 Cb -0.11 -2.73 0.38 0.00 0.35 0.00 0.00 41.96 39.85 3fee s TYR 166 CO -0.00 0.02 1.20 1.33 -1.34 0.00 0.00 175.55 176.76 3fee n VAL 167 N 4.05 2.10 0.00 3.14 0.24 -0.35 -4.84 118.33 122.67 3fee n VAL 167 Ca -0.03 -2.94 0.00 0.00 -2.04 0.00 0.00 64.34 59.33 3fee n VAL 167 Cb 0.51 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 3fee n VAL 167 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fee n ASN 168 N -1.20 0.00 -0.63 -1.34 5.15 -1.26 -1.02 115.26 114.95 3fee n ASN 168 Ca 0.18 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.25 3fee n ASN 168 Cb 0.68 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 40.21 3fee n ASN 168 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3fee n TYR 169 N 14.00 0.34 -2.46 1.20 4.01 -1.26 -0.81 117.16 132.18 3fee n TYR 169 Ca 0.00 -0.17 -0.17 0.00 -0.16 0.00 0.00 57.90 57.40 3fee n TYR 169 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 3fee n TYR 169 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fee n ALA 170 N 0.47 -0.71 -1.62 -0.72 0.00 -0.19 -4.80 120.51 112.94 3fee n ALA 170 Ca 0.15 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 3fee n ALA 170 Cb 0.33 -1.96 0.07 0.00 0.00 0.00 0.00 19.45 17.89 3fee n ALA 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fee s ARG 171 N -5.08 2.49 0.24 0.00 0.52 -1.26 -4.39 118.95 111.46 3fee s ARG 171 Ca 0.02 0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 55.87 3fee s ARG 171 Cb -0.01 -1.96 0.42 0.00 0.52 0.00 0.00 34.95 33.92 3fee s ARG 171 CO 0.02 -1.35 1.70 1.15 0.02 0.00 0.00 175.30 176.84 3fee h THR 172 N -0.89 0.56 0.00 0.02 2.02 -1.93 0.41 112.91 113.10 3fee h THR 172 Ca -0.46 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 3fee h THR 172 Cb 1.25 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3fee h THR 172 CO 0.59 0.05 -0.33 1.05 0.37 0.00 0.00 175.52 177.26 3fee h GLU 173 N 0.29 0.00 -0.28 6.66 9.09 -1.99 -0.12 114.58 128.23 3fee h GLU 173 Ca 0.39 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.72 3fee h GLU 173 Cb 0.64 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 3fee h GLU 173 CO -0.47 0.33 -0.14 -0.44 0.05 0.00 0.00 179.01 178.34 3fee h ASP 174 N 0.00 0.61 -0.09 3.06 3.32 -1.30 -1.45 116.42 120.56 3fee h ASP 174 Ca -0.00 -0.41 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 3fee h ASP 174 Cb 0.65 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fee h ASP 174 CO 0.04 0.88 -0.39 -0.26 -1.72 0.00 0.00 179.24 177.79 3fee h PHE 175 N 0.33 0.73 -0.33 4.55 -1.00 -1.01 -1.31 116.94 118.91 3fee h PHE 175 Ca 0.06 -0.21 0.04 0.00 2.81 0.00 0.00 57.97 60.67 3fee h PHE 175 Cb 0.66 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 3fee h PHE 175 CO 0.06 0.92 0.09 0.74 -1.61 0.00 0.00 178.31 178.51 3fee h PHE 176 N 0.51 0.15 -0.63 -0.55 0.04 -0.98 -2.03 116.94 113.45 3fee h PHE 176 Ca 0.04 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3fee h PHE 176 Cb 0.91 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.00 3fee h PHE 176 CO 0.04 0.05 0.40 -0.22 -0.60 0.00 0.00 178.31 177.98 3fee h LYS 177 N 0.21 0.79 -0.11 1.51 3.64 -0.92 0.22 116.57 121.91 3fee h LYS 177 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3fee h LYS 177 Cb 0.14 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3fee h LYS 177 CO -0.18 0.52 0.07 -0.07 -2.27 0.00 0.00 179.45 177.53 3fee h LEU 178 N 0.81 0.13 0.08 5.20 3.38 -1.01 -0.21 115.31 123.69 3fee h LEU 178 Ca 0.24 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 3fee h LEU 178 Cb -0.05 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 40.70 3fee h LEU 178 CO -0.07 0.10 -1.19 -0.08 0.09 0.00 0.00 178.44 177.28 3fee h GLU 179 N 0.15 0.63 0.00 1.13 4.81 -1.19 -1.22 114.58 118.89 3fee h GLU 179 Ca 0.04 -0.79 -0.05 0.00 -0.13 0.00 0.00 59.36 58.43 3fee h GLU 179 Cb -0.01 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3fee h GLU 179 CO -0.01 1.35 -1.57 0.54 -0.73 0.00 0.00 179.01 178.59 3fee n ARG 180 N -3.80 0.64 0.00 1.92 1.74 0.75 -4.39 116.66 113.52 3fee n ARG 180 Ca -0.13 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3fee n ARG 180 Cb 0.96 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 3fee n ARG 180 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3fee n GLU 181 N -2.54 1.95 0.00 5.56 1.02 -0.23 -4.86 120.64 121.54 3fee n GLU 181 Ca -0.05 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.19 3fee n GLU 181 Cb 0.64 -0.96 -0.08 0.00 -0.02 0.00 0.00 31.44 31.03 3fee n GLU 181 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fee n MET 182 N -2.13 0.41 -1.26 3.49 2.81 -0.36 -4.98 117.12 115.11 3fee n MET 182 Ca 0.00 -0.34 -0.07 0.00 -1.81 0.00 0.00 57.70 55.48 3fee n MET 182 Cb 0.46 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 3fee n MET 182 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fee n GLY 183 N 1.47 0.87 3.74 3.03 0.00 -1.00 -5.01 105.19 108.30 3fee n GLY 183 Ca 0.06 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3fee n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fee s ILE 184 N -2.27 5.11 -0.30 -0.61 -1.09 -0.49 -5.03 121.20 116.52 3fee s ILE 184 Ca 0.00 0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 3fee s ILE 184 Cb 0.00 -3.27 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 3fee s ILE 184 CO 0.00 0.52 0.02 0.21 -1.23 0.00 0.00 174.94 174.46 3fee s ASN 185 N -0.23 4.90 0.00 3.58 3.84 -1.26 -3.89 114.94 121.88 3fee s ASN 185 Ca 0.09 -1.10 0.30 0.00 0.21 0.00 0.00 52.86 52.36 3fee s ASN 185 Cb -0.12 -1.76 1.65 0.00 -0.55 0.00 0.00 41.25 40.48 3fee s ASN 185 CO 0.01 -0.24 2.08 0.00 -2.79 0.00 0.00 177.10 176.15 3fee s THR 187 N -1.99 2.73 0.00 0.00 2.01 -1.18 -1.38 115.64 115.82 3fee s THR 187 Ca 0.44 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3fee s THR 187 Cb 0.21 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3fee s THR 187 CO 0.35 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 3fee n GLY 188 N 4.06 0.79 3.94 4.40 0.00 -0.34 -4.95 105.19 113.09 3fee n GLY 188 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3fee n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fee s LYS 189 N -0.03 3.48 -0.13 1.61 -0.14 -0.48 -4.63 119.74 119.42 3fee s LYS 189 Ca 0.00 -0.48 -0.19 0.00 -1.36 0.00 0.00 55.97 53.94 3fee s LYS 189 Cb 0.00 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 3fee s LYS 189 CO 0.00 0.39 0.53 0.42 -0.76 0.00 0.00 175.35 175.93 3fee s ILE 190 N -1.95 5.14 0.07 2.17 1.01 -0.46 -0.65 121.20 126.53 3fee s ILE 190 Ca 0.37 1.05 0.02 0.00 0.00 0.00 0.00 60.65 62.10 3fee s ILE 190 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3fee s ILE 190 CO 0.30 0.27 0.09 0.68 0.00 0.00 0.00 174.94 176.28 3fee s VAL 191 N 0.91 4.63 -0.14 2.92 -7.23 -0.57 -1.26 120.40 119.67 3fee s VAL 191 Ca 0.28 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 3fee s VAL 191 Cb -0.16 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3fee s VAL 191 CO 0.11 0.16 -0.22 -0.51 -0.31 0.00 0.00 175.10 174.34 3fee s ILE 192 N -1.37 2.04 0.05 -0.62 2.07 0.04 -0.74 121.20 122.67 3fee s ILE 192 Ca 0.29 -0.97 0.07 0.00 -1.41 0.00 0.00 60.65 58.63 3fee s ILE 192 Cb -0.12 -1.80 -0.03 0.00 0.13 0.00 0.00 42.46 40.64 3fee s ILE 192 CO 0.21 0.55 -0.20 0.00 -1.91 0.00 0.00 174.94 173.59 3fee s ALA 193 N 0.78 1.66 0.25 1.50 0.00 0.13 -1.21 121.76 124.87 3fee s ALA 193 Ca -0.08 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 3fee s ALA 193 Cb -0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 3fee s ALA 193 CO -0.01 0.35 0.80 -0.98 0.00 0.00 0.00 175.76 175.92 3fee s ARG 194 N -1.33 4.38 0.77 0.00 1.70 0.01 -1.85 118.95 122.64 3fee s ARG 194 Ca 0.06 1.03 -0.12 0.00 -0.47 0.00 0.00 55.73 56.23 3fee s ARG 194 Cb -0.09 -2.89 0.06 0.00 -0.57 0.00 0.00 34.95 31.46 3fee s ARG 194 CO 0.02 0.38 1.13 0.71 -1.08 0.00 0.00 175.30 176.45 3fee s TYR 195 N -1.52 2.30 0.00 5.89 4.12 0.46 -4.41 117.35 124.19 3fee s TYR 195 Ca 0.44 1.61 0.00 0.00 0.02 0.00 0.00 57.07 59.15 3fee s TYR 195 Cb -0.18 -3.21 0.00 0.00 -1.52 0.00 0.00 41.96 37.06 3fee s TYR 195 CO 0.22 -2.12 0.00 0.41 0.02 0.00 0.00 175.55 174.09 3fee n GLY 196 N -0.49 2.87 4.72 0.71 0.00 -1.26 -4.73 105.19 107.01 3fee n GLY 196 Ca 0.11 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3fee n GLY 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fee n LYS 197 N -1.03 0.00 -4.13 1.61 4.76 -1.26 -4.82 118.16 113.29 3fee n LYS 197 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3fee n LYS 197 Cb 0.00 -0.10 -0.10 0.00 -1.84 0.00 0.00 35.03 32.99 3fee n LYS 197 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3fee s ILE 198 N 0.00 0.22 0.34 -0.18 -4.36 -1.26 -5.05 121.20 110.91 3fee s ILE 198 Ca 0.00 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.22 3fee s ILE 198 Cb 0.00 -1.83 -0.11 0.00 1.25 0.00 0.00 42.46 41.77 3fee s ILE 198 CO 0.00 -0.69 1.52 0.33 0.24 0.00 0.00 174.94 176.33 3fee n PHE 199 N -0.02 2.89 0.24 1.37 7.35 -1.26 -4.90 117.46 123.13 3fee n PHE 199 Ca -0.09 0.38 0.08 0.00 -0.76 0.00 0.00 57.45 57.06 3fee n PHE 199 Cb 0.62 -2.55 0.59 0.00 0.35 0.00 0.00 39.48 38.49 3fee n PHE 199 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 3fee h ARG 200 N 3.62 0.00 -0.27 -4.13 0.11 -1.95 -0.93 114.38 110.84 3fee h ARG 200 Ca -0.49 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.54 3fee h ARG 200 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 3fee h ARG 200 CO 0.70 0.15 -0.07 0.78 0.10 0.00 0.00 179.97 181.63 3fee h GLY 201 N 0.54 0.47 1.11 0.08 0.00 -1.79 -1.92 103.07 101.56 3fee h GLY 201 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3fee h GLY 201 CO 0.02 0.27 0.29 3.43 0.00 0.00 0.00 176.54 180.55 3fee h ASN 202 N 0.41 1.04 -0.52 0.19 4.21 -1.45 -0.97 115.58 118.50 3fee h ASN 202 Ca 0.09 -0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.46 3fee h ASN 202 Cb 0.38 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 3fee h ASN 202 CO 0.02 0.93 0.31 0.11 -1.29 0.00 0.00 177.43 177.51 3fee h LYS 203 N 1.10 0.59 -0.39 0.81 1.57 -1.22 -0.16 116.57 118.87 3fee h LYS 203 Ca 0.25 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3fee h LYS 203 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3fee h LYS 203 CO -0.02 0.39 -0.02 0.28 -0.57 0.00 0.00 179.45 179.51 3fee h VAL 204 N 0.61 1.26 -0.58 0.50 2.07 -1.14 0.14 116.25 119.12 3fee h VAL 204 Ca 0.21 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3fee h VAL 204 Cb 0.03 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3fee h VAL 204 CO -0.10 0.35 0.22 0.50 0.02 0.00 0.00 177.57 178.57 3fee h LYS 205 N 0.53 0.40 -0.34 1.57 3.64 -0.96 -0.12 116.57 121.30 3fee h LYS 205 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3fee h LYS 205 Cb 0.51 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3fee h LYS 205 CO 0.02 0.27 0.09 -0.91 -2.27 0.00 0.00 179.45 176.65 3fee h ASN 206 N 0.42 0.51 -0.63 4.20 2.35 -0.69 -1.21 115.58 120.52 3fee h ASN 206 Ca 0.28 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3fee h ASN 206 Cb 0.32 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3fee h ASN 206 CO -0.27 0.60 0.28 0.00 -1.65 0.00 0.00 177.43 176.39 3fee h ALA 207 N 0.92 1.25 -0.44 -0.83 0.00 -0.63 -1.06 119.26 118.46 3fee h ALA 207 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fee h ALA 207 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fee h ALA 207 CO 0.00 0.56 0.21 0.52 0.00 0.00 0.00 179.25 180.54 3fee h MET 208 N 0.95 0.64 0.00 0.00 2.86 -0.67 -1.39 114.93 117.32 3fee h MET 208 Ca 0.23 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3fee h MET 208 Cb 0.16 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 3fee h MET 208 CO -0.02 0.56 -0.10 1.25 1.06 0.00 0.00 176.91 179.66 3fee h LEU 209 N 0.57 0.00 -0.44 1.22 5.85 -0.73 -1.44 115.31 120.34 3fee h LEU 209 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3fee h LEU 209 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3fee h LEU 209 CO -0.02 0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 178.02 3fee n ALA 210 N -2.24 2.88 -0.49 1.25 0.00 -0.45 -4.95 120.51 116.51 3fee n ALA 210 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3fee n ALA 210 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3fee n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fee n GLY 211 N 1.28 0.74 3.74 0.00 0.00 -0.54 -3.08 105.19 107.33 3fee n GLY 211 Ca 0.14 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3fee n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fee s ALA 212 N -2.00 2.20 -2.35 4.61 0.00 -0.56 -1.20 121.76 122.45 3fee s ALA 212 Ca 0.00 0.75 0.20 0.00 0.00 0.00 0.00 51.96 52.91 3fee s ALA 212 Cb 0.00 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.82 3fee s ALA 212 CO 0.00 -1.72 1.10 0.44 0.00 0.00 0.00 175.76 175.58 3fee n ILE 213 N -2.71 0.00 -3.60 0.00 -5.35 0.18 -4.68 119.36 103.20 3fee n ILE 213 Ca 0.12 -0.45 -0.05 0.00 -0.27 0.00 0.00 62.75 62.10 3fee n ILE 213 Cb 0.51 1.38 -0.03 0.00 -1.74 0.00 0.00 39.64 39.75 3fee n ILE 213 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fee s GLY 214 N -1.81 -0.18 -0.04 3.28 0.00 -1.25 -4.21 107.32 103.11 3fee s GLY 214 Ca 0.22 2.05 -0.00 0.00 0.00 0.00 0.00 44.72 46.99 3fee s GLY 214 CO 0.31 0.81 0.01 -1.50 0.00 0.00 0.00 173.10 172.73 3fee s ILE 215 N -1.73 0.18 -0.18 0.90 2.07 -0.28 -1.52 121.20 120.64 3fee s ILE 215 Ca 0.07 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.34 3fee s ILE 215 Cb -0.01 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 3fee s ILE 215 CO -0.04 0.18 0.21 -0.63 -1.91 0.00 0.00 174.94 172.75 3fee s ILE 216 N 1.46 5.36 -0.05 2.00 1.01 0.08 -2.59 121.20 128.48 3fee s ILE 216 Ca -0.04 0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.99 3fee s ILE 216 Cb -0.13 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3fee s ILE 216 CO -0.03 0.41 -0.04 -0.76 0.00 0.00 0.00 174.94 174.53 3fee s LEU 217 N 0.42 3.33 0.12 2.97 1.43 -0.47 -0.69 118.68 125.79 3fee s LEU 217 Ca 0.12 -0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3fee s LEU 217 Cb -0.12 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3fee s LEU 217 CO 0.01 0.34 0.20 -0.72 0.23 0.00 0.00 176.35 176.40 3fee s TYR 218 N -0.92 0.32 -0.48 0.29 -0.85 -0.77 -0.86 117.35 114.09 3fee s TYR 218 Ca 0.15 -0.73 -0.16 0.00 -0.52 0.00 0.00 57.07 55.81 3fee s TYR 218 Cb -0.11 -0.11 0.07 0.00 0.38 0.00 0.00 41.96 42.19 3fee s TYR 218 CO 0.05 -0.59 0.43 -1.12 -1.52 0.00 0.00 175.55 172.79 3fee s SER 219 N -2.92 6.16 0.26 -0.18 0.01 -1.19 -0.40 113.70 115.44 3fee s SER 219 Ca 0.11 -1.31 -0.30 0.00 1.31 0.00 0.00 55.95 55.76 3fee s SER 219 Cb 0.05 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 3fee s SER 219 CO -0.06 -0.68 1.00 -0.62 0.41 0.00 0.00 173.24 173.29 3fee s ASP 220 N 2.67 7.49 0.63 2.44 2.15 -1.26 -4.05 116.67 126.73 3fee s ASP 220 Ca 0.05 2.08 0.40 0.00 0.43 0.00 0.00 52.55 55.51 3fee s ASP 220 Cb -0.24 -2.62 2.10 0.00 -0.30 0.00 0.00 42.92 41.86 3fee s ASP 220 CO 0.07 0.03 2.26 -0.65 -0.17 0.00 0.00 175.17 176.72 3fee h PRO 221 N 3.99 0.00 -0.61 4.34 0.11 -1.93 0.14 132.00 138.04 3fee h PRO 221 Ca -0.46 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 3fee h PRO 221 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3fee h PRO 221 CO 0.67 0.01 0.41 0.00 -0.21 0.00 0.00 178.00 178.89 3fee h ALA 222 N 1.99 2.06 0.00 -0.75 0.00 -1.91 -1.72 119.26 118.92 3fee h ALA 222 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fee h ALA 222 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fee h ALA 222 CO 0.00 -0.20 -1.38 -0.25 0.00 0.00 0.00 179.25 177.42 3fee n ASP 223 N -4.47 1.34 -0.48 0.00 8.00 0.36 -4.49 116.55 116.82 3fee n ASP 223 Ca 0.10 -0.24 0.03 0.00 0.71 0.00 0.00 54.79 55.39 3fee n ASP 223 Cb 0.40 1.48 0.05 0.00 -0.02 0.00 0.00 41.12 43.03 3fee n ASP 223 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fee n TYR 224 N -1.82 0.00 -3.66 1.24 4.02 -0.40 -0.71 117.16 115.84 3fee n TYR 224 Ca -0.01 -0.38 -0.28 0.00 -0.01 0.00 0.00 57.90 57.22 3fee n TYR 224 Cb 0.34 -0.09 -0.16 0.00 -0.02 0.00 0.00 39.34 39.40 3fee n TYR 224 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3fee s PHE 225 N -0.91 0.81 0.36 -0.72 5.36 -0.65 -3.54 117.98 118.69 3fee s PHE 225 Ca 0.13 -0.93 -0.26 0.00 -0.96 0.00 0.00 56.93 54.91 3fee s PHE 225 Cb 0.13 -1.06 -0.09 0.00 -0.34 0.00 0.00 43.02 41.65 3fee s PHE 225 CO -0.01 -0.70 1.08 0.00 -1.46 0.00 0.00 175.22 174.13 3fee s ALA 226 N 1.93 3.21 0.41 11.12 0.00 -1.26 -4.76 121.76 132.40 3fee s ALA 226 Ca 0.04 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 3fee s ALA 226 Cb -0.17 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3fee s ALA 226 CO -0.19 -0.23 1.41 -1.25 0.00 0.00 0.00 175.76 175.50 3fee s PRO 227 N -2.09 3.93 -1.19 0.00 0.04 -1.26 -2.97 135.00 131.46 3fee s PRO 227 Ca 0.53 2.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.96 3fee s PRO 227 Cb -0.27 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.48 3fee s PRO 227 CO 0.34 -0.62 0.12 -0.85 0.04 0.00 0.00 177.00 176.03 3fee n GLU 228 N 0.16 -2.54 -4.88 4.56 0.00 -1.26 -4.99 120.64 111.69 3fee n GLU 228 Ca 0.03 0.64 -0.31 0.00 0.00 0.00 0.00 57.16 57.51 3fee n GLU 228 Cb 0.41 -5.28 -0.14 0.00 0.00 0.00 0.00 31.44 26.44 3fee n GLU 228 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3fee s VAL 229 N -2.74 2.70 0.45 3.84 1.01 -1.16 -5.13 120.40 119.36 3fee s VAL 229 Ca 0.08 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 3fee s VAL 229 Cb -0.04 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 3fee s VAL 229 CO 0.10 0.47 0.92 -1.10 0.00 0.00 0.00 175.10 175.49 3fee s GLN 230 N -1.03 4.04 0.60 2.72 -0.21 -1.26 -4.78 119.66 119.74 3fee s GLN 230 Ca 0.13 0.94 -0.18 0.00 0.02 0.00 0.00 55.36 56.26 3fee s GLN 230 Cb -0.10 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 3fee s GLN 230 CO 0.02 -0.11 1.19 -1.25 -2.12 0.00 0.00 175.29 173.02 3fee s PRO 231 N -3.59 2.96 0.26 2.91 0.04 -1.26 -1.91 135.00 134.41 3fee s PRO 231 Ca 0.59 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 3fee s PRO 231 Cb -0.10 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 3fee s PRO 231 CO 0.23 -1.20 0.99 0.98 0.04 0.00 0.00 177.00 178.04 3fee n TYR 232 N -1.68 1.12 0.92 0.56 9.36 -0.17 -1.96 117.16 125.30 3fee n TYR 232 Ca 0.13 0.72 0.12 0.00 3.32 0.00 0.00 57.90 62.20 3fee n TYR 232 Cb 0.50 -2.23 0.26 0.00 -0.63 0.00 0.00 39.34 37.24 3fee n TYR 232 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fee n PRO 233 N 0.94 0.05 0.17 2.98 -0.04 -1.26 -4.79 135.00 133.05 3fee n PRO 233 Ca 0.11 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 3fee n PRO 233 Cb 0.30 -1.53 0.29 0.00 -0.04 0.00 0.00 33.50 32.52 3fee n PRO 233 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3fee h LYS 234 N 0.00 0.00 0.00 0.54 1.57 -1.70 -3.46 116.57 113.52 3fee h LYS 234 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fee h LYS 234 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fee h LYS 234 CO 0.00 0.46 0.00 0.41 -0.57 0.00 0.00 179.45 179.75 3fee n GLY 235 N -0.21 4.25 1.39 3.86 0.00 -0.89 -4.83 105.19 108.76 3fee n GLY 235 Ca -0.02 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.71 3fee n GLY 235 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3fee n TRP 236 N 0.00 1.34 -2.44 1.61 4.27 -1.07 -1.98 117.44 119.18 3fee n TRP 236 Ca 0.00 -0.66 -0.26 0.00 -3.89 0.00 0.00 57.50 52.69 3fee n TRP 236 Cb 0.00 -0.26 0.03 0.00 -1.36 0.00 0.00 31.31 29.72 3fee n TRP 236 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 3fee s ASN 237 N -1.09 5.59 -0.15 -0.67 0.01 -0.80 -4.37 114.94 113.45 3fee s ASN 237 Ca 0.47 0.66 -0.29 0.00 -0.71 0.00 0.00 52.86 52.99 3fee s ASN 237 Cb 0.32 -1.67 -0.00 0.00 0.41 0.00 0.00 41.25 40.31 3fee s ASN 237 CO 0.20 -1.05 1.00 -0.22 -1.51 0.00 0.00 177.10 175.52 3fee s LEU 238 N -4.96 4.19 0.72 0.60 2.96 -1.23 -1.00 118.68 119.96 3fee s LEU 238 Ca 0.54 1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 55.76 3fee s LEU 238 Cb -0.10 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.10 3fee s LEU 238 CO 0.44 -0.52 1.11 -2.84 -1.32 0.00 0.00 176.35 173.23 3fee s PRO 239 N 2.41 2.47 0.00 0.98 0.02 -1.26 -4.87 135.00 134.76 3fee s PRO 239 Ca 0.46 1.31 0.18 0.00 0.02 0.00 0.00 61.00 62.96 3fee s PRO 239 Cb -0.17 -1.92 0.87 0.00 0.02 0.00 0.00 34.50 33.30 3fee s PRO 239 CO 0.13 -1.49 1.53 0.41 -0.33 0.00 0.00 177.00 177.25 3fee n GLY 240 N -0.78 -0.90 0.03 0.52 0.00 -1.26 -2.53 105.19 100.28 3fee n GLY 240 Ca 0.10 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3fee n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fee n THR 241 N -1.32 0.00 -3.60 2.61 -2.24 -1.26 -1.37 114.28 107.10 3fee n THR 241 Ca 0.08 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 3fee n THR 241 Cb 0.15 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 3fee n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fee s ALA 242 N -2.95 3.75 0.11 6.98 0.00 -1.05 -4.73 121.76 123.87 3fee s ALA 242 Ca 0.11 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.77 3fee s ALA 242 Cb 0.17 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3fee s ALA 242 CO 0.75 0.55 -0.18 0.00 0.00 0.00 0.00 175.76 176.89 3fee s ALA 243 N -1.24 1.71 -0.20 0.00 0.00 -1.26 -3.83 121.76 116.93 3fee s ALA 243 Ca 0.27 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 3fee s ALA 243 Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3fee s ALA 243 CO 0.15 0.27 0.68 -1.14 0.00 0.00 0.00 175.76 175.72 3fee s GLN 244 N -2.18 4.21 0.66 0.00 0.74 -1.26 -4.51 119.66 117.33 3fee s GLN 244 Ca 0.07 0.70 -0.10 0.00 0.05 0.00 0.00 55.36 56.08 3fee s GLN 244 Cb -0.08 -3.59 -0.00 0.00 1.10 0.00 0.00 33.01 30.43 3fee s GLN 244 CO 0.04 -0.29 1.04 1.03 -0.55 0.00 0.00 175.29 176.56 3fee s ARG 245 N 2.08 3.08 0.00 1.67 0.52 -0.55 -4.78 118.95 120.97 3fee s ARG 245 Ca 0.30 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 3fee s ARG 245 Cb -0.16 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3fee s ARG 245 CO 0.10 -0.84 0.00 0.41 0.02 0.00 0.00 175.30 174.99 3fee n GLY 246 N -2.85 3.54 3.83 -3.53 0.00 -1.22 -4.85 105.19 100.10 3fee n GLY 246 Ca 0.06 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3fee n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fee s ASN 247 N 0.00 5.87 -0.17 1.61 2.20 -1.25 -2.83 114.94 120.37 3fee s ASN 247 Ca 0.00 1.63 0.15 0.00 -0.94 0.00 0.00 52.86 53.70 3fee s ASN 247 Cb 0.00 -2.50 0.43 0.00 -2.00 0.00 0.00 41.25 37.17 3fee s ASN 247 CO 0.00 -1.11 1.20 1.33 -2.94 0.00 0.00 177.10 175.58 3fee n VAL 248 N -2.47 1.69 -1.43 3.54 0.24 -0.80 -4.34 118.33 114.75 3fee n VAL 248 Ca 0.07 -2.78 -0.31 0.00 -2.04 0.00 0.00 64.34 59.29 3fee n VAL 248 Cb 0.53 0.03 0.08 0.00 -1.47 0.00 0.00 33.84 33.01 3fee n VAL 248 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fee s LEU 249 N -2.52 2.94 -0.66 1.34 1.43 -1.26 -4.55 118.68 115.40 3fee s LEU 249 Ca 0.38 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 3fee s LEU 249 Cb 0.38 -4.36 0.21 0.00 0.03 0.00 0.00 46.19 42.44 3fee s LEU 249 CO -0.09 -1.83 0.60 -3.20 0.23 0.00 0.00 176.35 172.06 3fee n ASN 250 N -3.38 3.16 0.12 2.29 5.15 -0.30 -4.50 115.26 117.80 3fee n ASN 250 Ca 0.08 -3.27 0.01 0.00 -0.60 0.00 0.00 54.58 50.80 3fee n ASN 250 Cb 0.54 -0.71 -0.00 0.00 -0.53 0.00 0.00 39.78 39.07 3fee n ASN 250 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3fee h LEU 251 N 4.85 0.00 -1.42 1.20 3.38 -1.87 -3.35 115.31 118.09 3fee h LEU 251 Ca 0.17 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.62 3fee h LEU 251 Cb 0.72 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.35 3fee h LEU 251 CO 0.75 0.56 -0.85 0.59 0.09 0.00 0.00 178.44 179.59 3fee n ASN 252 N -3.19 -2.25 0.00 -0.43 5.03 -1.26 -1.83 115.26 111.33 3fee n ASN 252 Ca 0.00 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.47 3fee n ASN 252 Cb 0.77 -3.04 0.00 0.00 -1.02 0.00 0.00 39.78 36.49 3fee n ASN 252 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fee n GLY 253 N -1.68 0.74 0.18 7.41 0.00 -1.26 -4.21 105.19 106.35 3fee n GLY 253 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3fee n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fee h ALA 254 N 0.00 0.87 0.00 4.61 0.00 -1.70 -3.47 119.26 119.58 3fee h ALA 254 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fee h ALA 254 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fee h ALA 254 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3fee n GLY 255 N 0.63 -0.27 3.60 0.00 0.00 -1.26 -4.32 105.19 103.58 3fee n GLY 255 Ca 0.01 -1.27 -0.51 0.00 0.00 0.00 0.00 46.02 44.25 3fee n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fee n ASP 256 N 0.92 1.89 0.20 1.61 2.03 -1.26 -4.82 116.55 117.12 3fee n ASP 256 Ca 0.00 1.11 0.17 0.00 0.52 0.00 0.00 54.79 56.59 3fee n ASP 256 Cb 0.00 -1.23 0.82 0.00 -0.72 0.00 0.00 41.12 39.98 3fee n ASP 256 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3fee h PRO 257 N 4.75 0.00 0.00 -0.67 0.11 -1.87 -2.64 132.00 131.68 3fee h PRO 257 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fee h PRO 257 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3fee h PRO 257 CO 0.79 0.00 -0.64 1.28 -0.21 0.00 0.00 178.00 179.22 3fee n LEU 258 N -3.88 0.59 -2.63 2.35 4.77 -1.26 -0.89 117.00 116.06 3fee n LEU 258 Ca 0.02 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3fee n LEU 258 Cb 0.31 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3fee n LEU 258 CO 0.28 0.11 -0.05 0.35 -1.33 0.00 0.00 177.39 176.75 3fee n THR 259 N -1.62 1.28 -1.71 -5.08 -2.24 -0.99 -0.94 114.28 102.97 3fee n THR 259 Ca 0.05 -3.41 -0.42 0.00 -2.27 0.00 0.00 64.05 57.99 3fee n THR 259 Cb 0.36 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 3fee n THR 259 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fee n PRO 260 N -0.17 2.73 0.00 -0.78 -0.04 -1.25 -2.01 135.00 133.48 3fee n PRO 260 Ca 0.15 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 3fee n PRO 260 Cb 0.79 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3fee n PRO 260 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fee n GLY 261 N 3.98 3.14 2.96 0.55 0.00 -1.26 -5.04 105.19 109.52 3fee n GLY 261 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3fee n GLY 261 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fee s TYR 262 N -2.88 0.28 0.39 1.61 2.02 -0.85 -4.95 117.35 112.97 3fee s TYR 262 Ca 0.00 -0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 56.11 3fee s TYR 262 Cb 0.00 -0.19 -0.09 0.00 -0.40 0.00 0.00 41.96 41.29 3fee s TYR 262 CO 0.00 -0.10 1.17 -1.25 -1.57 0.00 0.00 175.55 173.80 3fee s PRO 263 N -0.96 4.10 -1.31 -1.71 0.04 -1.26 -4.81 135.00 129.08 3fee s PRO 263 Ca -0.09 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 3fee s PRO 263 Cb -0.07 -2.72 0.10 0.00 0.04 0.00 0.00 34.50 31.85 3fee s PRO 263 CO -0.00 -0.29 1.80 0.00 0.04 0.00 0.00 177.00 178.55 3fee n ALA 264 N 0.16 4.30 -1.98 8.56 0.00 -1.26 -4.85 120.51 125.44 3fee n ALA 264 Ca 0.04 -4.00 -0.25 0.00 0.00 0.00 0.00 53.44 49.23 3fee n ALA 264 Cb 0.46 -3.39 0.13 0.00 0.00 0.00 0.00 19.45 16.64 3fee n ALA 264 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fee s LYS 265 N 2.94 1.41 0.47 0.00 -0.14 -1.26 -1.84 119.74 121.32 3fee s LYS 265 Ca 0.48 -0.99 0.27 0.00 -1.36 0.00 0.00 55.97 54.37 3fee s LYS 265 Cb 0.05 -2.22 0.97 0.00 -1.68 0.00 0.00 37.83 34.95 3fee s LYS 265 CO 0.02 -1.69 1.84 0.93 -0.76 0.00 0.00 175.35 175.68 3fee h GLU 266 N -0.79 0.00 -0.00 1.68 5.08 -1.95 -2.77 114.58 115.83 3fee h GLU 266 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3fee h GLU 266 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3fee h GLU 266 CO 0.39 0.14 -0.48 2.48 -1.00 0.00 0.00 179.01 180.55 3fee n TYR 267 N -3.26 0.00 -2.25 4.33 0.18 -1.26 -5.00 117.16 109.89 3fee n TYR 267 Ca 0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.38 3fee n TYR 267 Cb 0.41 -0.21 -0.03 0.00 -0.38 0.00 0.00 39.34 39.14 3fee n TYR 267 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3fee s THR 268 N -2.89 3.09 0.28 -3.48 2.01 -1.05 -4.95 115.64 108.66 3fee s THR 268 Ca 0.14 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 3fee s THR 268 Cb 0.18 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 3fee s THR 268 CO 0.67 0.22 1.60 0.12 -0.69 0.00 0.00 174.62 176.54 3fee s PHE 269 N -0.77 2.78 -0.07 4.92 2.19 -1.26 -4.94 117.98 120.83 3fee s PHE 269 Ca 0.50 0.74 0.05 0.00 0.33 0.00 0.00 56.93 58.54 3fee s PHE 269 Cb -0.36 -4.07 -0.01 0.00 -1.31 0.00 0.00 43.02 37.27 3fee s PHE 269 CO 0.45 -3.64 -0.22 1.03 1.83 0.00 0.00 175.22 174.67 3fee s ARG 270 N -0.30 2.71 0.70 10.12 3.00 -1.26 -4.73 118.95 129.19 3fee s ARG 270 Ca 0.64 -0.85 -0.16 0.00 0.00 0.00 0.00 55.73 55.36 3fee s ARG 270 Cb -0.48 -2.27 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 3fee s ARG 270 CO 0.46 0.37 0.90 1.28 0.00 0.00 0.00 175.30 178.31 3fee n LEU 271 N 3.01 3.16 -4.76 2.53 4.77 -0.12 -4.95 117.00 120.64 3fee n LEU 271 Ca -0.18 0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 56.09 3fee n LEU 271 Cb 0.52 -1.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 3fee n LEU 271 CO 0.26 -2.17 1.00 -1.81 -1.33 0.00 0.00 177.39 173.35 3fee s ASP 272 N -1.54 5.67 0.36 -1.43 1.01 -1.26 -4.86 116.67 114.62 3fee s ASP 272 Ca 0.73 2.78 0.06 0.00 0.71 0.00 0.00 52.55 56.83 3fee s ASP 272 Cb -0.36 -2.64 0.75 0.00 1.01 0.00 0.00 42.92 41.68 3fee s ASP 272 CO 0.51 -1.30 1.95 0.58 0.21 0.00 0.00 175.17 177.12 3fee h VAL 273 N 1.91 1.01 0.00 -1.27 2.07 -1.99 0.19 116.25 118.16 3fee h VAL 273 Ca -0.51 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3fee h VAL 273 Cb 1.28 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3fee h VAL 273 CO 0.59 0.14 0.03 1.05 0.02 0.00 0.00 177.57 179.40 3fee h GLU 274 N 0.75 0.00 -0.34 1.57 9.09 -2.03 -0.63 114.58 122.99 3fee h GLU 274 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3fee h GLU 274 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3fee h GLU 274 CO -0.11 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.34 3fee n GLU 275 N -2.67 2.37 -1.66 1.06 1.02 0.63 -5.01 120.64 116.38 3fee n GLU 275 Ca -0.02 -2.01 -0.44 0.00 -0.02 0.00 0.00 57.16 54.67 3fee n GLU 275 Cb 0.08 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3fee n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fee n GLY 276 N 0.84 0.50 3.73 0.62 0.00 -0.25 -4.87 105.19 105.76 3fee n GLY 276 Ca 0.14 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 3fee n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fee s VAL 277 N -0.56 2.81 0.00 1.61 1.01 -0.07 -3.29 120.40 121.91 3fee s VAL 277 Ca 0.63 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3fee s VAL 277 Cb -0.65 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3fee s VAL 277 CO 0.56 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3fee n GLY 278 N 3.09 1.29 3.67 4.51 0.00 -1.26 -4.61 105.19 111.88 3fee n GLY 278 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3fee n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fee s ILE 279 N -3.25 4.15 0.81 -0.61 1.01 -1.21 -1.15 121.20 120.96 3fee s ILE 279 Ca 0.00 1.45 -0.11 0.00 0.00 0.00 0.00 60.65 61.99 3fee s ILE 279 Cb 0.00 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.62 3fee s ILE 279 CO 0.00 -0.06 1.09 -2.16 0.00 0.00 0.00 174.94 173.81 3fee s PRO 280 N 2.86 1.92 0.00 2.79 0.04 -1.26 -4.97 135.00 136.39 3fee s PRO 280 Ca 0.57 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.83 3fee s PRO 280 Cb -0.25 -1.86 0.26 0.00 0.04 0.00 0.00 34.50 32.69 3fee s PRO 280 CO 0.20 -1.86 1.15 0.54 0.04 0.00 0.00 177.00 177.08 3fee n ARG 281 N -3.66 2.19 -4.25 4.56 1.74 -1.26 -4.01 116.66 111.97 3fee n ARG 281 Ca 0.09 -1.82 -0.16 0.00 -0.77 0.00 0.00 57.85 55.18 3fee n ARG 281 Cb 0.54 -1.27 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 3fee n ARG 281 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3fee s ILE 282 N -1.00 1.25 0.49 0.55 -4.36 -1.26 -4.89 121.20 111.98 3fee s ILE 282 Ca 0.22 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.49 3fee s ILE 282 Cb 0.12 -1.70 -0.07 0.00 1.25 0.00 0.00 42.46 42.06 3fee s ILE 282 CO 0.16 -0.60 1.09 -2.84 0.24 0.00 0.00 174.94 173.00 3fee s PRO 283 N -3.26 3.69 -0.03 0.37 0.02 -1.26 -2.52 135.00 132.01 3fee s PRO 283 Ca 0.13 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 3fee s PRO 283 Cb -0.01 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3fee s PRO 283 CO 0.02 -0.56 0.07 0.08 -0.33 0.00 0.00 177.00 176.28 3fee s VAL 284 N -1.79 -0.02 -0.10 3.83 1.01 -1.26 -1.13 120.40 120.94 3fee s VAL 284 Ca 0.67 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 3fee s VAL 284 Cb -0.22 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.09 3fee s VAL 284 CO 0.26 0.04 0.43 -2.28 0.00 0.00 0.00 175.10 173.55 3fee s HIS 285 N 0.52 -0.40 -0.02 5.22 5.04 -1.07 -4.30 115.29 120.27 3fee s HIS 285 Ca -0.04 0.85 -0.01 0.00 -1.54 0.00 0.00 55.06 54.33 3fee s HIS 285 Cb -0.06 0.18 -0.04 0.00 0.04 0.00 0.00 32.58 32.70 3fee s HIS 285 CO -0.02 -0.35 0.07 -1.25 -2.34 0.00 0.00 174.74 170.85 3fee s PRO 286 N -0.54 3.05 0.14 2.88 0.04 -1.26 -1.37 135.00 137.95 3fee s PRO 286 Ca -0.07 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 60.54 3fee s PRO 286 Cb -0.03 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 3fee s PRO 286 CO 0.03 0.66 -0.07 0.96 0.04 0.00 0.00 177.00 178.62 3fee s ILE 287 N -1.13 0.93 0.84 0.56 -4.36 -0.03 -4.78 121.20 113.22 3fee s ILE 287 Ca 0.21 -2.01 -0.08 0.00 -0.26 0.00 0.00 60.65 58.51 3fee s ILE 287 Cb -0.12 -1.86 0.16 0.00 1.25 0.00 0.00 42.46 41.90 3fee s ILE 287 CO 0.11 -0.73 1.15 -0.83 0.24 0.00 0.00 174.94 174.89 3fee s GLY 288 N -3.13 1.77 0.43 6.27 0.00 -1.25 -3.15 107.32 108.25 3fee s GLY 288 Ca 0.17 -1.49 0.23 0.00 0.00 0.00 0.00 44.72 43.64 3fee s GLY 288 CO -0.00 -0.82 1.67 0.10 0.00 0.00 0.00 173.10 174.04 3fee h TYR 289 N -1.06 0.00 -0.39 1.90 -0.00 -1.66 -1.10 116.97 114.67 3fee h TYR 289 Ca -0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.31 3fee h TYR 289 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.96 3fee h TYR 289 CO -0.65 0.11 0.17 -0.91 -0.00 0.00 0.00 178.16 176.88 3fee h ASN 290 N 0.00 0.52 -0.20 0.10 2.35 -1.59 -0.58 115.58 116.18 3fee h ASN 290 Ca -0.00 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.42 3fee h ASN 290 Cb 0.96 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3fee h ASN 290 CO 0.01 0.53 -0.53 0.44 -1.65 0.00 0.00 177.43 176.24 3fee h ASP 291 N 0.48 0.88 -0.52 5.81 3.32 -1.73 -3.08 116.42 121.58 3fee h ASP 291 Ca 0.13 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3fee h ASP 291 Cb 0.16 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3fee h ASP 291 CO -0.01 1.23 0.19 0.00 -1.72 0.00 0.00 179.24 178.93 3fee h ALA 292 N 0.79 1.28 -0.92 3.45 0.00 -1.03 -2.15 119.26 120.68 3fee h ALA 292 Ca 0.02 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3fee h ALA 292 Cb 1.12 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3fee h ALA 292 CO 0.11 0.52 0.59 1.49 0.00 0.00 0.00 179.25 181.96 3fee h GLU 293 N 0.81 0.93 -0.52 0.00 4.81 -1.02 0.64 114.58 120.22 3fee h GLU 293 Ca 0.19 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3fee h GLU 293 Cb 0.21 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3fee h GLU 293 CO -0.01 0.61 -0.15 0.82 -0.73 0.00 0.00 179.01 179.55 3fee h ILE 294 N 0.95 1.27 -0.15 2.32 2.04 -1.35 -1.26 117.51 121.34 3fee h ILE 294 Ca 0.42 -1.32 -0.16 0.00 1.00 0.00 0.00 64.86 64.80 3fee h ILE 294 Cb 0.35 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3fee h ILE 294 CO -0.18 0.46 -0.60 -0.07 0.00 0.00 0.00 178.15 177.76 3fee h LEU 295 N 0.90 0.55 0.00 1.44 3.38 -0.90 -3.26 115.31 117.42 3fee h LEU 295 Ca 0.13 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 3fee h LEU 295 Cb 0.73 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3fee h LEU 295 CO 0.06 1.02 -0.72 -0.07 0.09 0.00 0.00 178.44 178.82 3fee h LEU 296 N 0.36 0.00 -0.77 1.67 3.38 -0.82 -3.40 115.31 115.73 3fee h LEU 296 Ca -0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.13 3fee h LEU 296 Cb 1.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 3fee h LEU 296 CO 0.11 0.67 0.24 -0.09 0.09 0.00 0.00 178.44 179.46 3fee h ARG 297 N 0.00 0.32 -0.48 1.13 2.43 -1.27 -2.12 114.38 114.41 3fee h ARG 297 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3fee h ARG 297 Cb 1.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 3fee h ARG 297 CO 0.08 0.21 0.00 0.66 -1.51 0.00 0.00 179.97 179.42 3fee n TYR 298 N -5.10 1.37 -1.78 2.20 4.01 -1.26 -4.65 117.16 111.95 3fee n TYR 298 Ca 0.16 -0.71 -0.41 0.00 -0.16 0.00 0.00 57.90 56.77 3fee n TYR 298 Cb 0.48 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 3fee n TYR 298 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fee s LEU 299 N -2.31 4.34 0.00 7.72 1.43 -0.80 -0.15 118.68 128.92 3fee s LEU 299 Ca 0.46 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.51 3fee s LEU 299 Cb 0.33 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3fee s LEU 299 CO 0.16 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.44 3fee n GLY 300 N 2.14 3.02 7.00 -3.19 0.00 0.54 -4.65 105.19 110.06 3fee n GLY 300 Ca 0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3fee n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fee n GLY 301 N 5.00 1.40 3.77 -0.02 0.00 -1.26 -0.73 105.19 113.35 3fee n GLY 301 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3fee n GLY 301 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fee s ILE 302 N 0.00 3.38 0.84 -0.61 -4.36 -1.26 -4.80 121.20 114.39 3fee s ILE 302 Ca 0.00 1.08 -0.12 0.00 -0.26 0.00 0.00 60.65 61.35 3fee s ILE 302 Cb 0.00 -3.57 0.10 0.00 1.25 0.00 0.00 42.46 40.24 3fee s ILE 302 CO 0.00 0.03 1.19 0.00 0.24 0.00 0.00 174.94 176.40 3fee n ALA 303 N -0.14 -0.26 -1.69 2.27 0.00 -1.26 -1.20 120.51 118.22 3fee n ALA 303 Ca 0.05 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 3fee n ALA 303 Cb 0.48 -2.24 0.02 0.00 0.00 0.00 0.00 19.45 17.71 3fee n ALA 303 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fee n PRO 304 N -3.59 1.83 0.17 0.00 -0.04 -1.23 -4.66 135.00 127.48 3fee n PRO 304 Ca 0.13 0.65 0.05 0.00 -0.04 0.00 0.00 63.50 64.29 3fee n PRO 304 Cb 0.51 -2.36 0.19 0.00 -0.04 0.00 0.00 33.50 31.80 3fee n PRO 304 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fee h PRO 305 N 1.94 0.00 -2.56 0.54 0.13 -1.92 -3.46 132.00 126.67 3fee h PRO 305 Ca -0.48 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 3fee h PRO 305 Cb 1.30 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 3fee h PRO 305 CO 0.59 0.42 0.40 0.16 -0.23 0.00 0.00 178.00 179.33 3fee s ASP 306 N -6.40 -0.22 0.61 1.44 1.47 -1.26 -5.05 116.67 107.26 3fee s ASP 306 Ca 0.02 -0.44 0.32 0.00 1.18 0.00 0.00 52.55 53.63 3fee s ASP 306 Cb 0.09 0.56 1.81 0.00 -0.34 0.00 0.00 42.92 45.05 3fee s ASP 306 CO 0.71 -1.03 2.16 0.11 0.68 0.00 0.00 175.17 177.80 3fee h LYS 307 N 2.00 0.00 0.00 2.11 1.57 -1.96 -2.36 116.57 117.93 3fee h LYS 307 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3fee h LYS 307 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3fee h LYS 307 CO 0.25 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.00 3fee n SER 308 N -3.61 0.31 0.02 0.86 3.41 -1.26 -1.79 113.62 111.56 3fee n SER 308 Ca -0.00 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3fee n SER 308 Cb 0.24 -0.64 0.13 0.00 -0.26 0.00 0.00 64.21 63.68 3fee n SER 308 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3fee n TRP 309 N -1.83 0.15 -3.50 7.33 7.02 -0.89 -4.91 117.44 120.81 3fee n TRP 309 Ca 0.03 0.04 -0.38 0.00 -1.02 0.00 0.00 57.50 56.18 3fee n TRP 309 Cb 0.21 -0.33 -0.09 0.00 -2.42 0.00 0.00 31.31 28.69 3fee n TRP 309 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3fee s LYS 310 N -3.08 4.08 0.00 -0.99 2.20 -0.74 -4.88 119.74 116.33 3fee s LYS 310 Ca 0.08 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 3fee s LYS 310 Cb 0.16 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3fee s LYS 310 CO 0.75 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 3fee n GLY 311 N 4.35 0.89 0.34 5.54 0.00 -1.26 -5.03 105.19 110.02 3fee n GLY 311 Ca -0.11 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.31 3fee n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fee n ALA 312 N -3.00 2.77 -1.39 4.61 0.00 -1.26 -4.93 120.51 117.31 3fee n ALA 312 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 3fee n ALA 312 Cb 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 19.45 19.12 3fee n ALA 312 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fee s LEU 313 N -1.49 2.91 -1.43 0.00 1.43 -1.26 -4.92 118.68 113.92 3fee s LEU 313 Ca 0.11 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3fee s LEU 313 Cb 0.10 -4.35 -0.00 0.00 0.03 0.00 0.00 46.19 41.96 3fee s LEU 313 CO 0.24 -1.92 2.73 -3.20 0.23 0.00 0.00 176.35 174.44 3fee n ASN 314 N -3.43 8.34 -4.19 2.29 5.15 -1.26 -4.83 115.26 117.32 3fee n ASN 314 Ca 0.08 -2.83 -0.11 0.00 -0.60 0.00 0.00 54.58 51.12 3fee n ASN 314 Cb 0.54 -1.46 -0.10 0.00 -0.53 0.00 0.00 39.78 38.22 3fee n ASN 314 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3fee s VAL 315 N 0.62 0.22 -0.14 3.44 -7.23 -1.26 -5.02 120.40 111.02 3fee s VAL 315 Ca 0.63 -1.95 0.20 0.00 -1.81 0.00 0.00 61.98 59.05 3fee s VAL 315 Cb 0.19 -2.22 0.19 0.00 0.56 0.00 0.00 36.38 35.10 3fee s VAL 315 CO -0.08 -0.32 1.60 0.77 -0.31 0.00 0.00 175.10 176.77 3fee h SER 316 N 2.74 0.00 -2.66 4.85 4.64 -1.85 -3.47 113.55 117.80 3fee h SER 316 Ca -0.36 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.61 3fee h SER 316 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3fee h SER 316 CO 0.58 0.29 -0.46 -1.22 -0.87 0.00 0.00 176.83 175.16 3fee n TYR 317 N -3.23 -0.93 -0.92 4.77 4.01 -1.26 -4.57 117.16 115.02 3fee n TYR 317 Ca 0.02 0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.50 3fee n TYR 317 Cb 0.59 -3.56 0.14 0.00 -0.31 0.00 0.00 39.34 36.20 3fee n TYR 317 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3fee s SER 318 N -2.27 3.52 0.04 7.72 0.01 -1.26 -3.48 113.70 117.98 3fee s SER 318 Ca 0.03 2.06 0.20 0.00 1.31 0.00 0.00 55.95 59.54 3fee s SER 318 Cb -0.01 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.50 3fee s SER 318 CO 0.04 -2.70 0.69 -0.38 0.41 0.00 0.00 173.24 171.30 3fee n ILE 319 N -3.95 0.77 -3.78 1.44 2.08 -0.34 -4.65 119.36 110.93 3fee n ILE 319 Ca 0.11 -0.63 0.00 0.00 0.56 0.00 0.00 62.75 62.79 3fee n ILE 319 Cb 0.52 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 3fee n ILE 319 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3fee n GLY 320 N 1.35 -1.97 3.80 7.39 0.00 0.09 -1.14 105.19 114.72 3fee n GLY 320 Ca -0.09 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3fee n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fee s PRO 321 N 0.00 3.61 0.00 1.61 0.04 -1.26 -4.14 135.00 134.86 3fee s PRO 321 Ca 0.00 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3fee s PRO 321 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3fee s PRO 321 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3fee n GLY 322 N -0.49 -0.04 3.76 0.56 0.00 -1.12 -4.49 105.19 103.38 3fee n GLY 322 Ca 0.09 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3fee n GLY 322 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fee s PHE 323 N -2.22 2.96 -0.01 1.61 0.40 -1.26 -0.34 117.98 119.13 3fee s PHE 323 Ca 0.00 -0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 3fee s PHE 323 Cb 0.00 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.21 3fee s PHE 323 CO 0.00 0.56 0.19 0.95 0.70 0.00 0.00 175.22 177.62 3fee s THR 324 N -2.20 0.07 0.00 0.64 -4.23 0.78 -4.65 115.64 106.06 3fee s THR 324 Ca 0.32 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3fee s THR 324 Cb -0.07 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.29 3fee s THR 324 CO 0.23 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3fee n GLY 325 N 1.50 0.71 0.00 3.99 0.00 -1.26 -4.73 105.19 105.41 3fee n GLY 325 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3fee n GLY 325 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fee n SER 326 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.10 113.62 111.75 3fee n SER 326 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3fee n SER 326 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fee n SER 326 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fee n SER 328 N 0.00 0.00 -4.62 -3.46 3.41 -1.26 -4.99 113.62 102.70 3fee n SER 328 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3fee n SER 328 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3fee n SER 328 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fee s PHE 329 N 0.00 3.03 0.00 7.33 0.40 -1.26 -3.50 117.98 123.98 3fee s PHE 329 Ca 0.00 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 3fee s PHE 329 Cb 0.00 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.59 3fee s PHE 329 CO 0.00 -0.94 0.00 0.54 0.70 0.00 0.00 175.22 175.52 3fee n ARG 330 N 7.19 0.00 -4.09 0.44 5.12 -0.58 -4.73 116.66 120.00 3fee n ARG 330 Ca 0.11 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 3fee n ARG 330 Cb 0.48 -0.47 -0.10 0.00 -1.16 0.00 0.00 32.46 31.21 3fee n ARG 330 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3fee s LYS 331 N -1.99 0.62 -0.01 5.56 -0.14 -0.70 -4.77 119.74 118.31 3fee s LYS 331 Ca 0.00 -1.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.50 3fee s LYS 331 Cb 0.00 0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 3fee s LYS 331 CO 0.00 -0.06 0.05 0.54 -0.76 0.00 0.00 175.35 175.12 3fee s VAL 332 N -3.23 4.51 0.04 3.17 0.11 -0.42 -0.99 120.40 123.59 3fee s VAL 332 Ca 0.03 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 3fee s VAL 332 Cb 0.03 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 31.82 3fee s VAL 332 CO -0.06 0.38 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.77 3fee s ARG 333 N -1.60 1.30 0.18 1.54 0.52 0.19 -1.20 118.95 119.89 3fee s ARG 333 Ca 0.21 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.61 3fee s ARG 333 Cb -0.12 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 3fee s ARG 333 CO 0.12 0.35 0.02 -1.64 0.02 0.00 0.00 175.30 174.17 3fee s MET 334 N -1.10 2.47 -0.29 3.54 -1.94 -0.47 -0.94 119.30 120.57 3fee s MET 334 Ca 0.06 -1.11 -0.03 0.00 -1.71 0.00 0.00 55.69 52.91 3fee s MET 334 Cb -0.08 -2.38 0.11 0.00 2.01 0.00 0.00 34.83 34.49 3fee s MET 334 CO 0.01 0.45 0.18 -1.58 -0.01 0.00 0.00 175.02 174.07 3fee s HIS 335 N -1.80 0.08 -0.10 -0.03 5.04 0.21 -3.51 115.29 115.19 3fee s HIS 335 Ca 0.28 -0.66 0.00 0.00 -1.54 0.00 0.00 55.06 53.15 3fee s HIS 335 Cb -0.09 -0.77 0.02 0.00 0.04 0.00 0.00 32.58 31.79 3fee s HIS 335 CO 0.19 -0.85 -0.08 0.08 -2.34 0.00 0.00 174.74 171.74 3fee s VAL 336 N 2.18 0.98 -0.29 0.89 1.01 -0.51 -1.08 120.40 123.58 3fee s VAL 336 Ca 0.09 -0.29 0.20 0.00 0.00 0.00 0.00 61.98 61.99 3fee s VAL 336 Cb -0.15 -0.98 0.48 0.00 0.00 0.00 0.00 36.38 35.73 3fee s VAL 336 CO -0.35 0.35 1.06 -1.22 0.00 0.00 0.00 175.10 174.93 3fee n TYR 337 N 4.69 1.07 -1.26 5.22 4.02 -1.26 -1.13 117.16 128.51 3fee n TYR 337 Ca -0.15 -2.40 -0.33 0.00 -0.01 0.00 0.00 57.90 55.01 3fee n TYR 337 Cb 0.50 -0.22 0.11 0.00 -0.02 0.00 0.00 39.34 39.71 3fee n TYR 337 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3fee s ASN 338 N -3.41 3.92 -0.17 7.72 0.01 -1.26 -4.01 114.94 117.74 3fee s ASN 338 Ca 0.26 2.31 -0.05 0.00 -0.71 0.00 0.00 52.86 54.67 3fee s ASN 338 Cb 0.38 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3fee s ASN 338 CO -0.01 -2.44 0.00 -0.63 -1.51 0.00 0.00 177.10 172.51 3fee s ILE 339 N -2.16 4.22 -0.16 0.60 1.01 0.84 -4.82 121.20 120.74 3fee s ILE 339 Ca 0.72 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 3fee s ILE 339 Cb -0.27 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3fee s ILE 339 CO 0.49 0.48 0.15 0.20 0.00 0.00 0.00 174.94 176.25 3fee s ASN 340 N 0.41 6.32 -0.12 3.58 0.01 -1.26 -0.89 114.94 122.99 3fee s ASN 340 Ca -0.01 0.37 -0.14 0.00 -0.71 0.00 0.00 52.86 52.37 3fee s ASN 340 Cb -0.14 -2.09 0.04 0.00 0.41 0.00 0.00 41.25 39.47 3fee s ASN 340 CO 0.02 0.28 0.38 -0.75 -1.51 0.00 0.00 177.10 175.51 3fee s LYS 341 N -0.28 0.50 0.10 -0.60 2.20 -0.08 -4.98 119.74 116.61 3fee s LYS 341 Ca 0.12 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.81 3fee s LYS 341 Cb -0.12 0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 3fee s LYS 341 CO 0.01 -0.08 1.35 0.42 -0.36 0.00 0.00 175.35 176.69 3fee s ILE 342 N -0.11 3.49 0.00 5.43 1.01 -1.26 -1.21 121.20 128.55 3fee s ILE 342 Ca -0.03 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3fee s ILE 342 Cb -0.03 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 3fee s ILE 342 CO 0.01 0.08 -0.01 -0.89 0.00 0.00 0.00 174.94 174.13 3fee s THR 343 N 1.16 0.05 0.18 2.92 2.01 0.43 -4.90 115.64 117.49 3fee s THR 343 Ca 0.63 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 3fee s THR 343 Cb -0.35 -0.08 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 3fee s THR 343 CO 0.30 -0.06 1.08 -0.60 -0.69 0.00 0.00 174.62 174.65 3fee s ARG 344 N -0.22 4.61 0.21 4.92 3.52 -1.26 -1.35 118.95 129.39 3fee s ARG 344 Ca -0.02 1.69 0.09 0.00 -0.13 0.00 0.00 55.73 57.35 3fee s ARG 344 Cb -0.02 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3fee s ARG 344 CO -0.00 0.11 -0.17 0.96 -0.81 0.00 0.00 175.30 175.39 3fee s ILE 345 N -0.27 1.94 -0.07 4.11 -4.36 0.41 -4.41 121.20 118.54 3fee s ILE 345 Ca 0.49 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 3fee s ILE 345 Cb -0.29 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.39 3fee s ILE 345 CO 0.34 -0.49 -0.01 -0.31 0.24 0.00 0.00 174.94 174.72 3fee s TYR 346 N -2.66 0.77 0.23 1.37 2.02 -1.26 -1.69 117.35 116.13 3fee s TYR 346 Ca 0.23 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 3fee s TYR 346 Cb -0.03 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 3fee s TYR 346 CO 0.09 -0.34 0.51 -0.80 -1.57 0.00 0.00 175.55 173.44 3fee s ASN 347 N 1.84 6.53 -0.18 2.29 0.01 0.47 -4.08 114.94 121.81 3fee s ASN 347 Ca 0.03 0.76 -0.06 0.00 -0.71 0.00 0.00 52.86 52.88 3fee s ASN 347 Cb -0.12 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 3fee s ASN 347 CO -0.05 -0.09 0.03 -0.69 -1.51 0.00 0.00 177.10 174.79 3fee s VAL 348 N -1.88 4.45 -0.11 1.60 1.01 -0.27 -0.57 120.40 124.63 3fee s VAL 348 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3fee s VAL 348 Cb -0.11 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3fee s VAL 348 CO 0.25 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 175.02 3fee s VAL 349 N 0.52 1.16 0.27 2.92 1.01 0.34 -0.48 120.40 126.14 3fee s VAL 349 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3fee s VAL 349 Cb -0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 3fee s VAL 349 CO 0.02 0.39 0.03 -0.83 0.00 0.00 0.00 175.10 174.70 3fee s GLY 350 N 1.52 1.78 0.04 4.51 0.00 0.12 -0.77 107.32 114.52 3fee s GLY 350 Ca 0.02 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 3fee s GLY 350 CO -0.07 -1.72 0.03 -0.51 0.00 0.00 0.00 173.10 170.83 3fee s THR 351 N -3.40 0.16 -0.23 0.90 -4.23 -0.93 -0.41 115.64 107.50 3fee s THR 351 Ca 0.33 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 3fee s THR 351 Cb 0.07 -0.97 0.06 0.00 1.34 0.00 0.00 72.50 73.00 3fee s THR 351 CO 0.12 -0.72 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.79 3fee s ILE 352 N -2.82 1.60 0.26 2.99 1.01 -0.30 -0.70 121.20 123.24 3fee s ILE 352 Ca -0.03 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 3fee s ILE 352 Cb 0.00 -1.82 -0.09 0.00 0.01 0.00 0.00 42.46 40.56 3fee s ILE 352 CO -0.06 -0.05 1.20 -0.60 0.00 0.00 0.00 174.94 175.43 3fee s ARG 353 N 1.37 4.50 0.50 2.79 3.52 -1.26 -0.90 118.95 129.47 3fee s ARG 353 Ca -0.05 1.96 -0.21 0.00 -0.13 0.00 0.00 55.73 57.29 3fee s ARG 353 Cb -0.19 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 3fee s ARG 353 CO -0.06 -0.01 1.14 0.20 -0.81 0.00 0.00 175.30 175.76 3fee s GLY 354 N -0.42 2.70 0.23 8.12 0.00 -1.20 -4.57 107.32 112.18 3fee s GLY 354 Ca 0.49 0.87 0.24 0.00 0.00 0.00 0.00 44.72 46.31 3fee s GLY 354 CO 0.43 1.27 1.36 1.48 0.00 0.00 0.00 173.10 177.64 3fee h SER 355 N 1.64 0.00 0.00 1.64 4.64 -0.65 -3.34 113.55 117.47 3fee h SER 355 Ca -0.50 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3fee h SER 355 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3fee h SER 355 CO 0.59 0.03 -0.98 0.52 -0.87 0.00 0.00 176.83 176.12 3fee n VAL 356 N -2.53 0.00 -3.43 0.95 0.31 -0.67 -4.90 118.33 108.06 3fee n VAL 356 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.09 3fee n VAL 356 Cb 0.49 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 3fee n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fee n GLU 357 N -2.84 2.10 0.18 5.55 1.02 0.14 -4.92 120.64 121.88 3fee n GLU 357 Ca 0.00 -4.38 0.13 0.00 -0.02 0.00 0.00 57.16 52.89 3fee n GLU 357 Cb 0.49 -2.08 0.64 0.00 -0.02 0.00 0.00 31.44 30.48 3fee n GLU 357 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3fee h PRO 358 N 4.31 0.00 -0.87 3.49 0.13 -1.75 -2.13 132.00 135.18 3fee h PRO 358 Ca 0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.04 3fee h PRO 358 Cb 0.71 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.68 3fee h PRO 358 CO 0.75 0.00 0.34 -0.40 -0.23 0.00 0.00 178.00 178.46 3fee n ASP 359 N -2.43 4.16 -4.04 1.44 5.75 -1.26 -4.54 116.55 115.64 3fee n ASP 359 Ca -0.00 -3.14 -0.20 0.00 -0.01 0.00 0.00 54.79 51.45 3fee n ASP 359 Cb 0.13 -0.74 -0.15 0.00 -1.03 0.00 0.00 41.12 39.33 3fee n ASP 359 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3fee s ARG 360 N -2.66 0.85 0.01 0.11 1.81 -0.80 -4.68 118.95 113.59 3fee s ARG 360 Ca 0.47 -0.36 0.07 0.00 -1.72 0.00 0.00 55.73 54.19 3fee s ARG 360 Cb 0.38 -0.82 -0.02 0.00 -0.45 0.00 0.00 34.95 34.05 3fee s ARG 360 CO 0.11 0.20 -0.20 0.71 -0.68 0.00 0.00 175.30 175.44 3fee s TYR 361 N -0.17 1.79 -0.12 -0.53 2.02 -0.30 -0.74 117.35 119.30 3fee s TYR 361 Ca 0.03 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3fee s TYR 361 Cb -0.05 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 3fee s TYR 361 CO -0.00 0.03 -0.21 0.08 -1.57 0.00 0.00 175.55 173.88 3fee s VAL 362 N -0.64 1.95 -0.23 0.71 1.01 -0.33 0.32 120.40 123.19 3fee s VAL 362 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3fee s VAL 362 Cb -0.08 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3fee s VAL 362 CO 0.01 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.14 3fee s ILE 363 N 0.70 5.19 -0.36 2.22 1.01 -0.45 -0.88 121.20 128.63 3fee s ILE 363 Ca -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 3fee s ILE 363 Cb -0.16 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 38.97 3fee s ILE 363 CO 0.01 0.37 0.12 -0.22 0.00 0.00 0.00 174.94 175.22 3fee s LEU 364 N 0.97 4.57 -0.02 2.97 2.96 0.25 -0.16 118.68 130.23 3fee s LEU 364 Ca 0.07 -1.51 0.04 0.00 -0.22 0.00 0.00 54.13 52.51 3fee s LEU 364 Cb -0.13 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3fee s LEU 364 CO 0.04 -0.40 -0.15 -0.83 -1.32 0.00 0.00 176.35 173.69 3fee s GLY 365 N 1.57 0.74 -0.04 7.98 0.00 -0.66 -0.82 107.32 116.10 3fee s GLY 365 Ca 0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.96 3fee s GLY 365 CO -0.01 -0.47 0.33 -0.32 0.00 0.00 0.00 173.10 172.64 3fee s GLY 366 N -0.24 -0.19 0.54 0.20 0.00 -0.22 -0.07 107.32 107.33 3fee s GLY 366 Ca 0.03 0.48 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 3fee s GLY 366 CO -0.00 0.28 0.97 -2.38 0.00 0.00 0.00 173.10 171.97 3fee s HIS 367 N -1.06 3.51 0.00 1.90 -3.43 -1.26 -0.66 115.29 114.29 3fee s HIS 367 Ca -0.11 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 3fee s HIS 367 Cb -0.05 -2.72 0.00 0.00 -1.43 0.00 0.00 32.58 28.38 3fee s HIS 367 CO 0.04 -0.44 0.00 2.89 -2.00 0.00 0.00 174.74 175.23 3fee n ARG 368 N -1.93 4.18 -2.22 -0.38 1.85 0.16 -4.58 116.66 113.74 3fee n ARG 368 Ca 0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.52 3fee n ARG 368 Cb 0.54 -0.62 -0.02 0.00 -1.05 0.00 0.00 32.46 31.31 3fee n ARG 368 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 3fee s ASP 369 N -1.20 6.60 0.35 2.89 -4.77 -1.25 -4.81 116.67 114.48 3fee s ASP 369 Ca 0.00 2.48 0.03 0.00 -3.30 0.00 0.00 52.55 51.76 3fee s ASP 369 Cb 0.00 -2.63 -0.05 0.00 -1.09 0.00 0.00 42.92 39.16 3fee s ASP 369 CO 0.00 -0.63 0.09 -0.94 0.70 0.00 0.00 175.17 174.39 3fee s SER 370 N -0.89 2.40 -0.04 2.11 1.04 -0.42 -4.42 113.70 113.49 3fee s SER 370 Ca 0.54 -1.50 -0.22 0.00 0.48 0.00 0.00 55.95 55.25 3fee s SER 370 Cb -0.34 0.19 -0.31 0.00 0.10 0.00 0.00 66.02 65.65 3fee s SER 370 CO 0.44 -0.75 0.90 -0.50 0.98 0.00 0.00 173.24 174.31 3fee h TRP 371 N 2.01 0.55 0.00 5.02 4.06 -1.87 -3.29 115.95 122.43 3fee h TRP 371 Ca -0.38 -0.40 0.00 0.00 2.06 0.00 0.00 58.89 60.17 3fee h TRP 371 Cb 1.26 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 3fee h TRP 371 CO 0.93 1.30 0.00 0.28 -3.56 0.00 0.00 178.44 177.40 3fee n VAL 372 N -4.13 0.00 0.13 1.49 0.31 -1.26 -4.64 118.33 110.22 3fee n VAL 372 Ca -0.14 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.25 3fee n VAL 372 Cb 0.82 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.78 3fee n VAL 372 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3fee h PHE 373 N 0.00 0.00 -6.10 3.52 0.04 -1.84 -2.57 116.94 110.00 3fee h PHE 373 Ca 0.00 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.34 3fee h PHE 373 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 3fee h PHE 373 CO 0.00 0.29 -0.76 0.41 -0.60 0.00 0.00 178.31 177.64 3fee n GLY 374 N 1.22 -0.44 0.20 -1.45 0.00 -1.20 -4.77 105.19 98.76 3fee n GLY 374 Ca -0.01 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.23 3fee n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fee h ALA 375 N 0.94 1.52 0.00 4.61 0.00 -1.58 -0.20 119.26 124.54 3fee h ALA 375 Ca -0.59 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3fee h ALA 375 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3fee h ALA 375 CO 0.60 0.37 -0.46 0.82 0.00 0.00 0.00 179.25 180.58 3fee h ILE 376 N 0.01 0.00 -3.54 0.00 2.04 -1.88 -2.31 117.51 111.83 3fee h ILE 376 Ca -0.00 -0.94 -0.71 0.00 1.00 0.00 0.00 64.86 64.20 3fee h ILE 376 Cb 0.51 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.35 3fee h ILE 376 CO 0.04 0.00 -0.49 -0.62 0.00 0.00 0.00 178.15 177.08 3fee s ASP 377 N -5.60 5.78 0.00 1.72 2.15 -1.17 -2.46 116.67 117.09 3fee s ASP 377 Ca -0.13 -1.10 0.15 0.00 0.43 0.00 0.00 52.55 51.90 3fee s ASP 377 Cb 0.02 -2.04 0.34 0.00 -0.30 0.00 0.00 42.92 40.94 3fee s ASP 377 CO 0.20 -0.43 1.25 -0.81 -0.17 0.00 0.00 175.17 175.20 3fee n PRO 378 N 5.01 2.35 0.23 4.34 -0.04 -1.20 -4.34 135.00 141.34 3fee n PRO 378 Ca -0.11 -2.03 0.08 0.00 -0.04 0.00 0.00 63.50 61.40 3fee n PRO 378 Cb 0.45 -1.35 0.53 0.00 -0.04 0.00 0.00 33.50 33.09 3fee n PRO 378 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3fee h THR 379 N 2.89 0.85 -0.86 0.52 2.02 -0.79 0.32 112.91 117.87 3fee h THR 379 Ca 0.00 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3fee h THR 379 Cb 0.77 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 3fee h THR 379 CO 0.00 0.23 0.56 0.77 0.37 0.00 0.00 175.52 177.45 3fee h SER 380 N 0.00 0.90 0.19 4.18 4.64 -1.08 0.11 113.55 122.48 3fee h SER 380 Ca -0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3fee h SER 380 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3fee h SER 380 CO 0.03 0.61 -0.52 1.23 -0.87 0.00 0.00 176.83 177.31 3fee h GLY 381 N 1.03 0.40 0.97 -0.77 0.00 -0.47 -1.84 103.07 102.40 3fee h GLY 381 Ca 0.35 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3fee h GLY 381 CO -0.11 0.40 0.20 -2.08 0.00 0.00 0.00 176.54 174.95 3fee h VAL 382 N 0.29 1.22 -0.56 4.60 2.07 -0.45 -0.37 116.25 123.04 3fee h VAL 382 Ca 0.01 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3fee h VAL 382 Cb 1.01 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3fee h VAL 382 CO 0.09 0.26 0.08 0.00 0.02 0.00 0.00 177.57 178.02 3fee h ALA 383 N 1.05 0.75 -0.44 1.67 0.00 -0.91 -1.33 119.26 120.04 3fee h ALA 383 Ca 0.17 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fee h ALA 383 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fee h ALA 383 CO -0.01 0.50 0.26 0.28 0.00 0.00 0.00 179.25 180.28 3fee h VAL 384 N 0.83 1.06 -0.68 0.00 2.07 -1.17 -1.81 116.25 116.54 3fee h VAL 384 Ca 0.17 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3fee h VAL 384 Cb 0.42 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3fee h VAL 384 CO 0.01 0.10 0.34 0.25 0.02 0.00 0.00 177.57 178.29 3fee h LEU 385 N 0.53 0.89 -0.95 2.57 6.46 -0.72 0.03 115.31 124.11 3fee h LEU 385 Ca 0.17 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3fee h LEU 385 Cb -0.00 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.66 3fee h LEU 385 CO -0.07 0.76 0.42 1.56 -0.62 0.00 0.00 178.44 180.49 3fee h GLN 386 N 0.95 1.17 -0.23 1.25 1.08 -1.02 -0.21 115.11 118.10 3fee h GLN 386 Ca 0.24 -0.15 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 3fee h GLN 386 Cb 0.10 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3fee h GLN 386 CO -0.03 0.88 -0.45 1.49 -0.95 0.00 0.00 178.83 179.77 3fee h GLU 387 N 1.17 0.57 -0.27 1.46 4.57 -0.73 0.14 114.58 121.49 3fee h GLU 387 Ca 0.29 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3fee h GLU 387 Cb 0.07 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3fee h GLU 387 CO -0.04 0.90 0.11 0.82 -1.18 0.00 0.00 179.01 179.62 3fee h ILE 388 N 0.46 1.17 -0.88 2.32 2.04 -0.74 -1.27 117.51 120.61 3fee h ILE 388 Ca 0.03 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3fee h ILE 388 Cb 0.96 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3fee h ILE 388 CO 0.09 0.18 0.50 0.00 0.00 0.00 0.00 178.15 178.92 3fee h ALA 389 N 0.95 1.23 -0.77 1.87 0.00 -0.79 -0.80 119.26 120.94 3fee h ALA 389 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fee h ALA 389 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3fee h ALA 389 CO -0.01 0.64 0.28 -0.09 0.00 0.00 0.00 179.25 180.07 3fee h ARG 390 N 1.22 1.18 -0.43 0.00 2.43 -0.50 0.06 114.38 118.34 3fee h ARG 390 Ca 0.31 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3fee h ARG 390 Cb -0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 3fee h ARG 390 CO -0.05 0.97 -0.28 1.03 -1.51 0.00 0.00 179.97 180.13 3fee h SER 391 N 1.14 0.99 -0.71 -3.80 0.87 -0.55 -0.38 113.55 111.10 3fee h SER 391 Ca 0.25 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3fee h SER 391 Cb 0.26 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3fee h SER 391 CO -0.01 1.20 0.46 -0.26 -0.53 0.00 0.00 176.83 177.69 3fee h PHE 392 N 0.78 0.90 -0.95 2.24 0.04 -0.92 -1.32 116.94 117.71 3fee h PHE 392 Ca 0.09 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.96 3fee h PHE 392 Cb 0.87 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 3fee h PHE 392 CO 0.06 0.58 0.61 0.78 -0.60 0.00 0.00 178.31 179.73 3fee h GLY 393 N 0.97 1.43 1.06 -1.45 0.00 -0.53 -1.23 103.07 103.32 3fee h GLY 393 Ca 0.26 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3fee h GLY 393 CO -0.05 0.24 0.12 0.50 0.00 0.00 0.00 176.54 177.35 3fee h LYS 394 N 1.00 1.10 -0.52 4.80 1.79 -0.02 -1.05 116.57 123.68 3fee h LYS 394 Ca 0.43 -0.29 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 3fee h LYS 394 Cb 0.34 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3fee h LYS 394 CO -0.19 1.00 0.33 -0.07 -1.08 0.00 0.00 179.45 179.44 3fee h LEU 395 N 1.02 0.57 -1.40 2.94 3.38 -0.72 -2.43 115.31 118.67 3fee h LEU 395 Ca 0.21 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3fee h LEU 395 Cb 0.42 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3fee h LEU 395 CO 0.01 0.41 0.45 0.24 0.09 0.00 0.00 178.44 179.64 3fee h MET 396 N 0.68 0.74 0.00 1.13 2.86 -0.64 -1.93 114.93 117.76 3fee h MET 396 Ca 0.20 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3fee h MET 396 Cb -0.04 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 3fee h MET 396 CO -0.06 0.49 -0.06 0.66 1.06 0.00 0.00 176.91 179.00 3fee h SER 397 N 0.76 0.00 -0.63 1.22 4.64 -0.70 -0.83 113.55 118.01 3fee h SER 397 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3fee h SER 397 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3fee h SER 397 CO -0.09 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3fee n LYS 398 N -3.42 3.25 0.00 4.77 4.76 -0.76 -4.96 118.16 121.81 3fee n LYS 398 Ca -0.02 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.71 3fee n LYS 398 Cb 0.19 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 3fee n LYS 398 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fee n GLY 399 N 1.16 0.52 3.78 0.72 0.00 -0.32 -5.07 105.19 105.98 3fee n GLY 399 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3fee n GLY 399 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fee s TRP 400 N -2.00 3.19 0.00 1.61 -0.00 -1.03 -4.98 118.94 115.73 3fee s TRP 400 Ca 0.00 1.61 -0.00 0.00 -0.00 0.00 0.00 56.10 57.71 3fee s TRP 400 Cb 0.00 -3.23 -0.01 0.00 -0.00 0.00 0.00 33.47 30.24 3fee s TRP 400 CO 0.00 -0.89 -0.00 1.03 -0.00 0.00 0.00 176.95 177.08 3fee s ARG 401 N -2.43 0.10 0.73 5.86 1.81 -1.26 -4.13 118.95 119.63 3fee s ARG 401 Ca 0.58 -0.17 -0.11 0.00 -1.72 0.00 0.00 55.73 54.30 3fee s ARG 401 Cb -0.25 0.04 0.03 0.00 -0.45 0.00 0.00 34.95 34.31 3fee s ARG 401 CO 0.32 -0.02 1.07 -1.25 -0.68 0.00 0.00 175.30 174.74 3fee s PRO 402 N -0.44 2.69 0.01 3.54 0.04 -1.26 -4.78 135.00 134.80 3fee s PRO 402 Ca -0.05 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.65 3fee s PRO 402 Cb -0.03 -1.97 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 3fee s PRO 402 CO -0.00 -1.27 1.30 -0.09 0.04 0.00 0.00 177.00 176.98 3fee h ARG 403 N -0.84 -0.27 -6.62 4.56 2.43 -1.82 0.46 114.38 112.29 3fee h ARG 403 Ca -0.44 0.02 -0.50 0.00 -0.81 0.00 0.00 59.98 58.24 3fee h ARG 403 Cb 1.22 0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.86 3fee h ARG 403 CO 0.57 0.05 -0.10 1.03 -1.51 0.00 0.00 179.97 180.01 3fee s ARG 404 N -4.74 2.27 -0.07 0.20 0.52 -0.02 -0.69 118.95 116.43 3fee s ARG 404 Ca -0.14 -1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 53.20 3fee s ARG 404 Cb 0.02 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 3fee s ARG 404 CO 0.59 -0.89 0.44 0.99 0.02 0.00 0.00 175.30 176.44 3fee s THR 405 N -2.70 5.12 -0.09 0.02 2.01 0.08 -3.22 115.64 116.87 3fee s THR 405 Ca 0.61 0.88 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 3fee s THR 405 Cb -0.05 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 3fee s THR 405 CO 0.38 0.44 0.42 -0.63 -0.69 0.00 0.00 174.62 174.54 3fee s ILE 406 N -0.10 5.15 -0.20 1.82 1.01 -0.08 -1.19 121.20 127.61 3fee s ILE 406 Ca 0.24 0.85 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 3fee s ILE 406 Cb -0.16 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3fee s ILE 406 CO 0.11 0.42 -0.05 -0.63 0.00 0.00 0.00 174.94 174.79 3fee s ILE 407 N 0.04 3.44 -0.13 2.92 1.01 -0.06 -1.14 121.20 127.28 3fee s ILE 407 Ca 0.24 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 3fee s ILE 407 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3fee s ILE 407 CO 0.10 0.44 0.12 -0.36 0.00 0.00 0.00 174.94 175.24 3fee s PHE 408 N 1.22 3.51 -0.02 3.97 0.08 0.45 -0.59 117.98 126.59 3fee s PHE 408 Ca 0.03 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.52 3fee s PHE 408 Cb -0.14 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3fee s PHE 408 CO -0.01 0.62 0.04 0.00 -0.10 0.00 0.00 175.22 175.78 3fee s ALA 409 N -0.77 0.01 -0.37 5.36 0.00 0.00 -0.70 121.76 125.29 3fee s ALA 409 Ca 0.13 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 3fee s ALA 409 Cb -0.12 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3fee s ALA 409 CO 0.03 -0.10 0.16 0.45 0.00 0.00 0.00 175.76 176.30 3fee s SER 410 N 0.94 5.45 0.31 0.00 0.15 0.37 -1.06 113.70 119.86 3fee s SER 410 Ca -0.08 -1.27 -0.10 0.00 0.70 0.00 0.00 55.95 55.20 3fee s SER 410 Cb -0.11 -1.92 -0.07 0.00 -1.71 0.00 0.00 66.02 62.22 3fee s SER 410 CO -0.03 -0.40 0.65 0.26 1.20 0.00 0.00 173.24 174.92 3fee s TRP 411 N 1.41 3.44 0.28 3.44 0.23 0.17 -1.12 118.94 126.79 3fee s TRP 411 Ca 0.00 0.94 0.08 0.00 -2.03 0.00 0.00 56.10 55.09 3fee s TRP 411 Cb -0.21 -2.33 -0.04 0.00 0.03 0.00 0.00 33.47 30.92 3fee s TRP 411 CO 0.03 0.10 0.14 0.34 0.96 0.00 0.00 176.95 178.52 3fee s ASP 412 N -2.75 5.07 -1.40 2.95 -1.08 -1.26 -0.66 116.67 117.54 3fee s ASP 412 Ca 0.49 -0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 52.01 3fee s ASP 412 Cb -0.11 -1.07 0.01 0.00 -1.46 0.00 0.00 42.92 40.30 3fee s ASP 412 CO 0.25 -0.11 0.24 0.00 0.52 0.00 0.00 175.17 176.07 3fee n ALA 413 N -1.12 -0.84 -0.12 3.66 0.00 -1.26 -0.90 120.51 119.93 3fee n ALA 413 Ca -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 3fee n ALA 413 Cb 0.59 -2.48 0.25 0.00 0.00 0.00 0.00 19.45 17.81 3fee n ALA 413 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fee h GLU 414 N -0.51 0.80 0.00 0.00 4.22 -1.88 -2.13 114.58 115.07 3fee h GLU 414 Ca -0.42 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3fee h GLU 414 Cb 1.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3fee h GLU 414 CO 0.49 0.64 0.00 0.39 -2.18 0.00 0.00 179.01 178.35 3fee n GLU 415 N -4.35 0.07 -0.34 1.92 -0.58 -1.26 -1.01 120.64 115.09 3fee n GLU 415 Ca 0.05 0.33 0.09 0.00 -0.42 0.00 0.00 57.16 57.22 3fee n GLU 415 Cb 0.14 -1.63 0.27 0.00 -0.57 0.00 0.00 31.44 29.65 3fee n GLU 415 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3fee n PHE 416 N -1.76 0.87 0.00 -0.32 3.72 -0.92 -3.96 117.46 115.10 3fee n PHE 416 Ca 0.03 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3fee n PHE 416 Cb 0.17 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3fee n PHE 416 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fee n GLY 417 N 1.13 1.29 2.75 1.37 0.00 -0.72 -4.73 105.19 106.29 3fee n GLY 417 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 3fee n GLY 417 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fee n LEU 418 N 0.00 -2.41 -0.05 0.99 4.77 -0.18 -4.54 117.00 115.59 3fee n LEU 418 Ca 0.00 -0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 3fee n LEU 418 Cb 0.00 -2.68 -0.07 0.00 -2.33 0.00 0.00 43.42 38.33 3fee n LEU 418 CO 0.00 0.12 0.56 -0.07 -1.33 0.00 0.00 177.39 176.67 3fee h LEU 419 N -0.97 0.43 -0.32 2.23 3.38 -1.60 -1.39 115.31 117.07 3fee h LEU 419 Ca -0.46 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 56.92 3fee h LEU 419 Cb 1.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3fee h LEU 419 CO 0.51 0.87 -0.08 1.23 0.09 0.00 0.00 178.44 181.06 3fee h GLY 420 N 0.01 0.67 1.38 0.83 0.00 -1.20 0.31 103.07 105.08 3fee h GLY 420 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 3fee h GLY 420 CO 0.05 0.51 -0.21 1.48 0.00 0.00 0.00 176.54 178.36 3fee h SER 421 N 0.40 0.72 -0.20 0.19 4.64 -1.73 -2.27 113.55 115.30 3fee h SER 421 Ca 0.08 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 61.02 3fee h SER 421 Cb 0.57 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3fee h SER 421 CO 0.03 0.92 -0.40 0.74 -0.87 0.00 0.00 176.83 177.25 3fee h THR 422 N 0.63 1.32 -0.60 2.95 2.02 -1.06 -2.00 112.91 116.17 3fee h THR 422 Ca 0.09 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.60 3fee h THR 422 Cb 0.70 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 3fee h THR 422 CO 0.05 0.51 0.20 -0.33 0.37 0.00 0.00 175.52 176.32 3fee h GLU 423 N 0.32 0.91 -0.12 6.66 4.39 -0.92 0.13 114.58 125.94 3fee h GLU 423 Ca 0.01 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 3fee h GLU 423 Cb 1.00 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3fee h GLU 423 CO 0.09 0.78 -0.51 2.35 -1.16 0.00 0.00 179.01 180.56 3fee h TRP 424 N 0.88 0.40 -0.69 4.33 7.01 -1.39 0.23 115.95 126.72 3fee h TRP 424 Ca 0.20 -0.13 -0.08 0.00 2.11 0.00 0.00 58.89 60.99 3fee h TRP 424 Cb 0.24 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3fee h TRP 424 CO 0.02 0.77 0.13 0.00 -2.79 0.00 0.00 178.44 176.56 3fee h ALA 425 N 1.21 0.93 -0.46 2.65 0.00 -0.79 -0.97 119.26 121.83 3fee h ALA 425 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3fee h ALA 425 Cb 0.98 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3fee h ALA 425 CO 0.08 0.67 0.03 0.93 0.00 0.00 0.00 179.25 180.96 3fee h GLU 426 N 1.06 0.74 -0.36 0.00 5.08 -0.33 0.06 114.58 120.82 3fee h GLU 426 Ca 0.21 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3fee h GLU 426 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fee h GLU 426 CO 0.01 0.74 -0.26 1.49 -1.00 0.00 0.00 179.01 179.99 3fee h GLU 427 N 0.70 0.81 -0.57 2.33 4.81 -0.55 -3.32 114.58 118.79 3fee h GLU 427 Ca 0.14 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3fee h GLU 427 Cb 0.39 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3fee h GLU 427 CO 0.01 1.03 0.00 0.09 -0.73 0.00 0.00 179.01 179.41 3fee n ASN 428 N -4.21 3.65 -0.31 1.04 3.02 -0.40 -4.70 115.26 113.34 3fee n ASN 428 Ca -0.02 -2.07 0.14 0.00 -0.03 0.00 0.00 54.58 52.61 3fee n ASN 428 Cb 0.46 -0.40 0.33 0.00 -0.61 0.00 0.00 39.78 39.56 3fee n ASN 428 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3fee h VAL 429 N 3.37 0.48 -0.62 2.41 3.04 -1.08 0.01 116.25 123.85 3fee h VAL 429 Ca 0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 66.70 65.46 3fee h VAL 429 Cb 0.95 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 3fee h VAL 429 CO 0.03 0.08 0.06 0.11 -1.01 0.00 0.00 177.57 176.84 3fee h LYS 430 N 0.43 1.05 0.08 4.17 1.79 -1.87 0.62 116.57 122.84 3fee h LYS 430 Ca 0.58 -0.30 -0.26 0.00 -2.18 0.00 0.00 60.65 58.49 3fee h LYS 430 Cb 1.12 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 3fee h LYS 430 CO -0.52 1.00 -1.13 -0.84 -1.08 0.00 0.00 179.45 176.88 3fee h ILE 431 N 0.96 1.40 -0.45 1.86 3.07 -1.67 -3.19 117.51 119.48 3fee h ILE 431 Ca 0.18 -2.65 -0.06 0.00 1.55 0.00 0.00 64.86 63.88 3fee h ILE 431 Cb 0.48 2.67 -0.02 0.00 -0.27 0.00 0.00 36.82 39.69 3fee h ILE 431 CO 0.02 0.79 0.03 -0.07 -1.05 0.00 0.00 178.15 177.87 3fee h LEU 432 N 0.19 0.75 -1.27 0.16 3.38 -0.80 -2.04 115.31 115.68 3fee h LEU 432 Ca -0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3fee h LEU 432 Cb 1.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3fee h LEU 432 CO 0.20 0.85 -0.21 0.06 0.09 0.00 0.00 178.44 179.43 3fee h GLN 433 N 0.63 0.00 -0.01 1.13 3.07 -0.98 -1.47 115.11 117.47 3fee h GLN 433 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 3fee h GLN 433 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 3fee h GLN 433 CO 0.02 0.21 -0.61 0.39 0.09 0.00 0.00 178.83 178.92 3fee n GLU 434 N -3.43 0.52 0.00 0.06 -0.58 -1.08 -4.60 120.64 111.53 3fee n GLU 434 Ca -0.00 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 3fee n GLU 434 Cb 0.39 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3fee n GLU 434 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3fee n ARG 435 N -0.90 2.55 -2.97 3.49 1.74 -0.79 -5.07 116.66 114.71 3fee n ARG 435 Ca 0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 3fee n ARG 435 Cb 0.38 -0.25 -0.05 0.00 -1.02 0.00 0.00 32.46 31.52 3fee n ARG 435 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3fee s SER 436 N -0.37 7.12 -0.10 0.55 0.01 -0.57 -1.15 113.70 119.19 3fee s SER 436 Ca 0.00 1.35 -0.26 0.00 1.31 0.00 0.00 55.95 58.34 3fee s SER 436 Cb 0.00 -2.45 -0.26 0.00 0.21 0.00 0.00 66.02 63.51 3fee s SER 436 CO 0.00 -0.09 0.87 0.40 0.41 0.00 0.00 173.24 174.83 3fee h ILE 437 N 4.54 1.67 -2.44 1.44 1.08 -0.47 -3.46 117.51 119.87 3fee h ILE 437 Ca -0.42 -2.26 0.10 0.00 -0.39 0.00 0.00 64.86 61.89 3fee h ILE 437 Cb 1.20 3.18 -0.13 0.00 -3.07 0.00 0.00 36.82 38.01 3fee h ILE 437 CO 0.74 0.60 0.44 0.00 -0.69 0.00 0.00 178.15 179.24 3fee s ALA 438 N -2.53 -1.72 -0.12 1.87 0.00 -1.23 -4.05 121.76 113.98 3fee s ALA 438 Ca -0.17 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3fee s ALA 438 Cb -0.01 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.69 3fee s ALA 438 CO 0.73 -0.80 -0.15 -0.47 0.00 0.00 0.00 175.76 175.08 3fee s TYR 439 N -3.29 2.02 -0.19 0.00 5.04 0.21 -1.34 117.35 119.80 3fee s TYR 439 Ca 0.06 -1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 53.65 3fee s TYR 439 Cb -0.01 -1.47 -0.01 0.00 0.35 0.00 0.00 41.96 40.81 3fee s TYR 439 CO -0.06 -0.54 -0.06 0.42 -1.34 0.00 0.00 175.55 173.97 3fee s ILE 440 N 1.16 3.36 0.65 3.14 -1.09 0.78 -1.46 121.20 127.74 3fee s ILE 440 Ca -0.03 -0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 3fee s ILE 440 Cb -0.14 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 38.24 3fee s ILE 440 CO -0.05 0.45 1.03 0.21 -1.23 0.00 0.00 174.94 175.36 3fee s ASN 441 N 1.12 5.70 -0.36 3.58 2.47 -0.69 -1.66 114.94 125.11 3fee s ASN 441 Ca 0.01 1.11 0.14 0.00 0.42 0.00 0.00 52.86 54.54 3fee s ASN 441 Cb -0.15 -2.03 0.40 0.00 -1.45 0.00 0.00 41.25 38.02 3fee s ASN 441 CO -0.01 -1.14 0.92 -0.24 -3.72 0.00 0.00 177.10 172.92 3fee n SER 442 N -2.83 0.57 -2.22 -4.21 2.88 0.89 -4.75 113.62 103.95 3fee n SER 442 Ca 0.06 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 3fee n SER 442 Cb 0.56 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3fee n SER 442 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3fee n ASP 443 N 0.04 0.00 -4.50 -3.46 -0.08 -1.26 -4.12 116.55 103.18 3fee n ASP 443 Ca 0.13 -0.02 -0.48 0.00 -1.51 0.00 0.00 54.79 52.92 3fee n ASP 443 Cb 0.75 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.18 3fee n ASP 443 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3fee n SER 444 N -0.05 0.11 -0.01 1.67 7.64 -1.26 -3.58 113.62 118.14 3fee n SER 444 Ca 0.00 1.15 0.11 0.00 1.01 0.00 0.00 58.87 61.14 3fee n SER 444 Cb 0.00 -1.10 -0.15 0.00 -1.01 0.00 0.00 64.21 61.95 3fee n SER 444 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3fee n SER 445 N 1.73 0.41 -3.14 6.43 3.41 -1.26 -4.76 113.62 116.43 3fee n SER 445 Ca 0.15 -0.40 -0.19 0.00 -0.26 0.00 0.00 58.87 58.17 3fee n SER 445 Cb 0.25 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.77 3fee n SER 445 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fee n ILE 446 N -1.96 -0.34 0.45 -1.33 0.13 -1.26 -0.95 119.36 114.10 3fee n ILE 446 Ca -0.01 -4.06 0.13 0.00 -1.10 0.00 0.00 62.75 57.71 3fee n ILE 446 Cb 0.47 -0.69 0.45 0.00 -0.84 0.00 0.00 39.64 39.03 3fee n ILE 446 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 3fee h GLU 447 N 3.40 0.00 0.00 9.51 4.11 -1.55 -3.47 114.58 126.57 3fee h GLU 447 Ca 0.07 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.57 3fee h GLU 447 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3fee h GLU 447 CO 0.46 0.00 0.38 0.41 0.07 0.00 0.00 179.01 180.32 3fee n GLY 448 N 0.62 0.91 0.47 1.06 0.00 -1.18 -4.57 105.19 102.51 3fee n GLY 448 Ca 0.03 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 44.98 3fee n GLY 448 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fee n ASN 449 N -1.24 1.49 -0.07 1.61 0.23 -1.21 -3.82 115.26 112.24 3fee n ASN 449 Ca -0.04 -2.89 -0.04 0.00 -0.53 0.00 0.00 54.58 51.08 3fee n ASN 449 Cb 0.46 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.76 3fee n ASN 449 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3fee h TYR 450 N 0.36 0.00 -2.83 -2.53 3.20 -1.35 -3.49 116.97 110.33 3fee h TYR 450 Ca -0.03 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3fee h TYR 450 Cb 1.21 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.49 3fee h TYR 450 CO 0.22 0.02 0.24 -2.37 -1.64 0.00 0.00 178.16 174.63 3fee n THR 451 N -4.63 0.00 -2.56 1.81 5.66 -0.94 -4.98 114.28 108.64 3fee n THR 451 Ca -0.07 -0.84 -0.35 0.00 -3.05 0.00 0.00 64.05 59.75 3fee n THR 451 Cb 0.25 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 69.83 3fee n THR 451 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3fee s LEU 452 N 0.00 3.95 -0.09 1.09 2.96 -1.26 -0.50 118.68 124.83 3fee s LEU 452 Ca 0.14 1.95 0.02 0.00 -0.22 0.00 0.00 54.13 56.01 3fee s LEU 452 Cb -0.04 -4.44 0.01 0.00 0.50 0.00 0.00 46.19 42.23 3fee s LEU 452 CO 0.10 -0.66 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.74 3fee s ARG 453 N -2.99 1.94 -0.05 1.98 3.52 0.48 -4.82 118.95 119.02 3fee s ARG 453 Ca 0.64 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 3fee s ARG 453 Cb -0.18 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.56 3fee s ARG 453 CO 0.22 -0.03 -0.21 0.08 -0.81 0.00 0.00 175.30 174.55 3fee s VAL 454 N 0.88 1.73 -0.13 7.11 1.01 -1.26 -1.99 120.40 127.75 3fee s VAL 454 Ca -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3fee s VAL 454 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3fee s VAL 454 CO 0.01 0.49 -0.15 -1.81 0.00 0.00 0.00 175.10 173.63 3fee s ASP 455 N -0.05 2.65 0.16 3.32 -0.00 -0.35 -1.34 116.67 121.06 3fee s ASP 455 Ca -0.04 -0.48 -0.24 0.00 -0.00 0.00 0.00 52.55 51.79 3fee s ASP 455 Cb -0.13 -1.18 0.06 0.00 -0.00 0.00 0.00 42.92 41.67 3fee s ASP 455 CO 0.03 -0.02 0.73 0.00 -0.00 0.00 0.00 175.17 175.91 3fee s THR 457 N -3.63 2.52 0.57 0.00 -1.32 -0.98 -4.60 115.64 108.20 3fee s THR 457 Ca 0.06 0.33 0.28 0.00 -1.21 0.00 0.00 61.69 61.14 3fee s THR 457 Cb -0.02 -3.13 0.38 0.00 -1.51 0.00 0.00 72.50 68.21 3fee s THR 457 CO -0.05 -0.07 2.00 -0.65 -2.21 0.00 0.00 174.62 173.64 3fee h PRO 458 N 0.88 0.00 -0.70 7.08 0.11 -1.94 -0.27 132.00 137.16 3fee h PRO 458 Ca -0.51 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.81 3fee h PRO 458 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3fee h PRO 458 CO 0.55 0.00 0.51 -0.07 -0.21 0.00 0.00 178.00 178.78 3fee h LEU 459 N 0.00 0.00 -1.31 2.35 3.38 -1.91 -2.51 115.31 115.31 3fee h LEU 459 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fee h LEU 459 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3fee h LEU 459 CO -0.00 0.00 -0.26 0.18 0.09 0.00 0.00 178.44 178.44 3fee n LEU 460 N -4.32 2.30 -0.14 1.67 4.77 -0.11 -2.12 117.00 119.05 3fee n LEU 460 Ca 0.14 -0.80 -0.04 0.00 -0.03 0.00 0.00 56.01 55.27 3fee n LEU 460 Cb 0.78 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.90 3fee n LEU 460 CO 0.38 0.41 0.95 1.88 -1.33 0.00 0.00 177.39 179.68 3fee h TYR 461 N 3.19 0.27 -0.65 -1.77 0.05 -1.51 -1.15 116.97 115.40 3fee h TYR 461 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 3fee h TYR 461 Cb 0.82 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 3fee h TYR 461 CO 0.00 0.10 0.23 0.37 -1.05 0.00 0.00 178.16 177.80 3fee h GLN 462 N 0.32 0.99 -0.44 4.88 4.15 -1.80 -0.92 115.11 122.29 3fee h GLN 462 Ca 0.21 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 3fee h GLN 462 Cb 0.20 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3fee h GLN 462 CO -0.21 0.85 -0.06 1.25 -1.93 0.00 0.00 178.83 178.73 3fee h LEU 463 N 0.92 0.81 -0.44 -2.39 5.85 -1.73 -0.63 115.31 117.70 3fee h LEU 463 Ca 0.21 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3fee h LEU 463 Cb 0.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3fee h LEU 463 CO -0.01 0.96 0.26 0.58 -0.34 0.00 0.00 178.44 179.88 3fee h VAL 464 N 0.65 1.04 -0.53 1.05 2.07 -0.76 -0.07 116.25 119.69 3fee h VAL 464 Ca 0.12 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3fee h VAL 464 Cb 0.58 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3fee h VAL 464 CO 0.03 0.09 0.10 1.88 0.02 0.00 0.00 177.57 179.70 3fee h TYR 465 N 0.51 0.92 -0.41 1.57 0.99 -0.95 -1.79 116.97 117.82 3fee h TYR 465 Ca 0.18 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.82 3fee h TYR 465 Cb 0.02 -0.26 -0.04 0.00 1.00 0.00 0.00 36.73 37.45 3fee h TYR 465 CO -0.07 0.82 0.17 -0.22 -0.00 0.00 0.00 178.16 178.86 3fee h LYS 466 N 0.76 0.34 -0.07 4.88 3.64 -0.83 -2.63 116.57 122.65 3fee h LYS 466 Ca 0.16 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 3fee h LYS 466 Cb 0.39 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3fee h LYS 466 CO 0.01 0.22 -0.75 -0.07 -2.27 0.00 0.00 179.45 176.59 3fee h LEU 467 N 0.35 0.47 -1.62 5.20 3.38 -0.78 -2.85 115.31 119.46 3fee h LEU 467 Ca 0.18 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3fee h LEU 467 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fee h LEU 467 CO -0.17 1.06 -0.17 0.71 0.09 0.00 0.00 178.44 179.97 3fee h THR 468 N 0.26 0.58 0.00 0.22 1.35 -1.20 -1.58 112.91 112.55 3fee h THR 468 Ca -0.03 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3fee h THR 468 Cb 1.33 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3fee h THR 468 CO 0.13 0.16 0.00 0.11 -0.25 0.00 0.00 175.52 175.67 3fee h LYS 469 N 0.00 0.00 -0.37 4.72 1.57 -1.22 -1.77 116.57 119.49 3fee h LYS 469 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fee h LYS 469 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fee h LYS 469 CO 0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3fee n GLU 470 N -3.01 2.77 -4.71 3.15 1.02 -0.60 -4.78 120.64 114.48 3fee n GLU 470 Ca 0.00 -2.08 -0.33 0.00 -0.02 0.00 0.00 57.16 54.73 3fee n GLU 470 Cb 0.28 -1.30 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 3fee n GLU 470 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fee s ILE 471 N -1.00 3.22 0.37 -3.67 1.01 -1.16 -5.06 121.20 114.90 3fee s ILE 471 Ca 0.25 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 3fee s ILE 471 Cb 0.13 -2.36 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 3fee s ILE 471 CO 0.17 0.53 1.35 -2.84 0.00 0.00 0.00 174.94 174.15 3fee s PRO 472 N 0.25 4.17 0.22 2.79 0.02 -1.26 -0.49 135.00 140.70 3fee s PRO 472 Ca -0.08 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3fee s PRO 472 Cb -0.15 -2.95 -0.10 0.00 0.02 0.00 0.00 34.50 31.33 3fee s PRO 472 CO 0.05 -0.37 1.43 0.45 -0.33 0.00 0.00 177.00 178.22 3fee s SER 473 N -0.48 6.70 0.00 2.53 0.15 -0.23 -4.30 113.70 118.07 3fee s SER 473 Ca 0.52 2.59 0.27 0.00 0.70 0.00 0.00 55.95 60.04 3fee s SER 473 Cb -0.41 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 62.53 3fee s SER 473 CO 0.54 -0.68 1.84 -0.81 1.20 0.00 0.00 173.24 175.33 3fee n PRO 474 N 2.67 1.43 -2.96 5.44 -0.04 -1.26 -4.74 135.00 135.55 3fee n PRO 474 Ca 0.08 -0.64 -0.38 0.00 -0.04 0.00 0.00 63.50 62.52 3fee n PRO 474 Cb 0.41 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 3fee n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fee s ASP 475 N -1.89 7.33 0.27 3.54 1.01 -1.26 -4.78 116.67 120.88 3fee s ASP 475 Ca 0.39 1.65 -0.31 0.00 0.71 0.00 0.00 52.55 54.99 3fee s ASP 475 Cb 0.20 -2.50 -0.12 0.00 1.01 0.00 0.00 42.92 41.50 3fee s ASP 475 CO 0.32 0.12 1.55 0.47 0.21 0.00 0.00 175.17 177.85 3fee n ASP 476 N 1.23 3.53 0.00 0.27 8.00 -1.26 -1.52 116.55 126.80 3fee n ASP 476 Ca -0.03 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.60 3fee n ASP 476 Cb 0.49 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 3fee n ASP 476 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fee n GLY 477 N 2.35 1.03 1.27 0.44 0.00 -1.26 -4.90 105.19 104.12 3fee n GLY 477 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3fee n GLY 477 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fee n PHE 478 N -2.00 1.28 0.30 1.61 3.72 -0.58 -4.84 117.46 116.95 3fee n PHE 478 Ca 0.00 -1.83 0.17 0.00 -0.05 0.00 0.00 57.45 55.75 3fee n PHE 478 Cb 0.00 -0.40 0.93 0.00 -0.94 0.00 0.00 39.48 39.07 3fee n PHE 478 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3fee h GLU 479 N 1.40 0.00 -0.21 -1.08 3.07 -1.85 -0.94 114.58 114.97 3fee h GLU 479 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3fee h GLU 479 Cb 1.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.23 3fee h GLU 479 CO 0.41 0.04 -0.00 -1.13 -1.40 0.00 0.00 179.01 176.93 3fee n SER 480 N -3.40 3.50 -4.44 1.42 3.41 -1.26 -4.94 113.62 107.91 3fee n SER 480 Ca -0.02 -3.07 -0.21 0.00 -0.26 0.00 0.00 58.87 55.31 3fee n SER 480 Cb 0.16 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 3fee n SER 480 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fee s LYS 481 N -2.86 1.59 0.54 4.33 1.02 -0.36 -5.06 119.74 118.94 3fee s LYS 481 Ca 0.40 -1.84 -0.06 0.00 0.02 0.00 0.00 55.97 54.50 3fee s LYS 481 Cb 0.33 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 36.56 3fee s LYS 481 CO 0.07 -0.04 0.86 -1.54 -0.92 0.00 0.00 175.35 173.78 3fee s SER 482 N -3.46 5.95 0.34 2.83 1.04 -1.26 -1.06 113.70 118.07 3fee s SER 482 Ca 0.32 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.66 3fee s SER 482 Cb 0.06 -2.02 0.65 0.00 0.10 0.00 0.00 66.02 64.81 3fee s SER 482 CO 0.13 -0.82 1.94 0.25 0.98 0.00 0.00 173.24 175.72 3fee h LEU 483 N -0.00 0.76 -0.64 2.42 5.85 -0.66 -1.68 115.31 121.36 3fee h LEU 483 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3fee h LEU 483 Cb 1.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3fee h LEU 483 CO 0.61 0.49 0.40 0.22 -0.34 0.00 0.00 178.44 179.82 3fee h TYR 484 N 0.87 0.83 -0.36 1.25 3.20 -1.58 -1.08 116.97 120.10 3fee h TYR 484 Ca 0.34 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 3fee h TYR 484 Cb 0.23 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3fee h TYR 484 CO -0.00 0.55 0.21 0.93 -1.64 0.00 0.00 178.16 178.21 3fee h GLU 485 N 0.86 0.49 -0.46 1.82 5.08 -1.62 0.85 114.58 121.61 3fee h GLU 485 Ca 0.23 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3fee h GLU 485 Cb -0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3fee h GLU 485 CO -0.05 0.38 -0.09 0.66 -1.00 0.00 0.00 179.01 178.92 3fee h SER 486 N 0.46 0.88 -0.60 1.42 4.64 -1.25 -1.66 113.55 117.44 3fee h SER 486 Ca 0.13 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3fee h SER 486 Cb 0.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 3fee h SER 486 CO -0.02 1.03 0.37 -0.25 -0.87 0.00 0.00 176.83 177.08 3fee h TRP 487 N 0.72 0.79 -0.40 4.77 7.01 -1.07 -0.85 115.95 126.92 3fee h TRP 487 Ca 0.12 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 3fee h TRP 487 Cb 0.63 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3fee h TRP 487 CO 0.05 0.53 0.24 1.25 -2.79 0.00 0.00 178.44 177.72 3fee h LEU 488 N 0.81 0.48 -0.84 0.65 5.85 -0.69 0.71 115.31 122.28 3fee h LEU 488 Ca 0.22 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3fee h LEU 488 Cb -0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3fee h LEU 488 CO -0.04 0.40 0.50 -0.08 -0.34 0.00 0.00 178.44 178.87 3fee h GLU 489 N 0.53 1.15 0.00 1.25 4.81 -0.99 -3.13 114.58 118.20 3fee h GLU 489 Ca 0.14 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3fee h GLU 489 Cb 0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3fee h GLU 489 CO -0.03 0.82 -1.09 0.87 -0.73 0.00 0.00 179.01 178.85 3fee h LYS 490 N 1.16 0.00 -1.21 1.92 1.57 -0.85 -3.41 116.57 115.74 3fee h LYS 490 Ca 0.30 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.66 3fee h LYS 490 Cb -0.03 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 31.99 3fee h LYS 490 CO -0.05 0.18 -0.87 -3.47 -0.57 0.00 0.00 179.45 174.67 3fee n ASP 491 N -2.85 -0.95 -4.76 0.86 4.64 0.22 -5.07 116.55 108.64 3fee n ASP 491 Ca -0.04 -2.99 -0.37 0.00 -1.38 0.00 0.00 54.79 50.02 3fee n ASP 491 Cb 0.70 0.34 0.01 0.00 -1.04 0.00 0.00 41.12 41.14 3fee n ASP 491 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3fee s PRO 492 N -0.58 3.37 0.20 -0.67 0.04 -1.18 -0.34 135.00 135.84 3fee s PRO 492 Ca 0.34 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3fee s PRO 492 Cb 0.21 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3fee s PRO 492 CO -0.15 -0.88 1.34 0.45 0.04 0.00 0.00 177.00 177.79 3fee s SER 493 N -1.44 6.85 0.43 6.66 0.15 0.91 -4.32 113.70 122.93 3fee s SER 493 Ca 0.70 2.44 0.09 0.00 0.70 0.00 0.00 55.95 59.88 3fee s SER 493 Cb -0.30 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.32 3fee s SER 493 CO 0.35 -0.57 2.04 -0.65 1.20 0.00 0.00 173.24 175.61 3fee h PRO 494 N 5.44 0.37 -0.00 5.44 0.11 -1.93 -2.82 132.00 138.61 3fee h PRO 494 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fee h PRO 494 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fee h PRO 494 CO 0.78 0.30 -0.13 -0.85 -0.21 0.00 0.00 178.00 177.89 3fee n GLU 495 N -4.44 0.10 -3.15 1.05 0.00 -1.26 -4.66 120.64 108.27 3fee n GLU 495 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 57.16 57.19 3fee n GLU 495 Cb 0.11 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.04 3fee n GLU 495 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3fee s ASN 496 N -2.92 -1.29 0.54 -1.84 3.84 -1.07 -5.04 114.94 107.17 3fee s ASN 496 Ca 0.16 0.59 0.36 0.00 0.21 0.00 0.00 52.86 54.18 3fee s ASN 496 Cb 0.19 2.00 1.88 0.00 -0.55 0.00 0.00 41.25 44.76 3fee s ASN 496 CO 0.56 -0.24 2.10 0.07 -2.79 0.00 0.00 177.10 176.80 3fee h LYS 497 N 7.96 0.00 -0.02 0.43 2.10 -1.82 -1.79 116.57 123.43 3fee h LYS 497 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3fee h LYS 497 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3fee h LYS 497 CO 0.17 0.00 -0.05 -1.71 -2.00 0.00 0.00 179.45 175.86 3fee n ASN 498 N -2.84 1.68 -4.41 7.07 4.05 -1.26 -4.72 115.26 114.83 3fee n ASN 498 Ca -0.02 -1.49 -0.30 0.00 0.45 0.00 0.00 54.58 53.22 3fee n ASN 498 Cb 0.11 0.03 -0.13 0.00 1.23 0.00 0.00 39.78 41.02 3fee n ASN 498 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3fee s LEU 499 N -2.08 2.43 0.63 1.20 1.43 -0.67 -5.04 118.68 116.56 3fee s LEU 499 Ca 0.34 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3fee s LEU 499 Cb 0.21 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3fee s LEU 499 CO 0.36 0.23 1.15 -2.84 0.23 0.00 0.00 176.35 175.48 3fee s PRO 500 N -1.59 2.89 0.21 1.29 0.02 -1.26 -0.06 135.00 136.50 3fee s PRO 500 Ca 0.14 1.58 -0.31 0.00 0.02 0.00 0.00 61.00 62.44 3fee s PRO 500 Cb -0.10 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 3fee s PRO 500 CO 0.05 -1.21 1.45 0.50 -0.33 0.00 0.00 177.00 177.46 3fee s ARG 501 N -3.71 4.27 -0.08 5.54 3.52 0.54 -4.35 118.95 124.68 3fee s ARG 501 Ca 0.71 2.27 0.02 0.00 -0.13 0.00 0.00 55.73 58.60 3fee s ARG 501 Cb -0.24 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3fee s ARG 501 CO 0.36 -0.45 -0.12 0.42 -0.81 0.00 0.00 175.30 174.70 3fee s ILE 502 N 0.40 1.17 0.42 4.11 1.01 -1.26 -4.48 121.20 122.57 3fee s ILE 502 Ca 0.62 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 3fee s ILE 502 Cb -0.41 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3fee s ILE 502 CO 0.38 0.37 0.66 0.20 0.00 0.00 0.00 174.94 176.55 3fee s ASN 503 N 0.88 6.16 0.49 3.58 0.01 -0.45 -4.92 114.94 120.69 3fee s ASN 503 Ca -0.10 0.57 -0.20 0.00 -0.71 0.00 0.00 52.86 52.42 3fee s ASN 503 Cb -0.15 -1.98 -0.08 0.00 0.41 0.00 0.00 41.25 39.44 3fee s ASN 503 CO 0.01 -0.50 1.04 -0.54 -1.51 0.00 0.00 177.10 175.60 3fee s LYS 504 N -4.52 3.77 -0.11 -0.60 1.02 -1.26 -2.29 119.74 115.75 3fee s LYS 504 Ca 0.44 1.34 -0.25 0.00 0.02 0.00 0.00 55.97 57.52 3fee s LYS 504 Cb -0.10 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 3fee s LYS 504 CO 0.39 -0.45 0.81 -0.51 -0.92 0.00 0.00 175.35 174.67 3fee s LEU 505 N -3.56 4.24 0.00 3.17 1.43 -1.26 -4.14 118.68 118.56 3fee s LEU 505 Ca 0.67 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3fee s LEU 505 Cb -0.16 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3fee s LEU 505 CO 0.21 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3fee n GLY 506 N 3.28 1.12 0.00 -3.19 0.00 -1.26 -4.46 105.19 100.67 3fee n GLY 506 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3fee n GLY 506 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fee n SER 507 N 0.00 0.43 0.00 1.61 2.88 0.13 -4.46 113.62 114.22 3fee n SER 507 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3fee n SER 507 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fee n SER 507 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fee n GLY 508 N 2.16 2.14 2.21 0.46 0.00 -1.26 -4.54 105.19 106.37 3fee n GLY 508 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3fee n GLY 508 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fee n SER 509 N 0.00 -1.15 0.00 1.61 2.88 -1.26 -5.06 113.62 110.64 3fee n SER 509 Ca 0.00 -1.70 0.07 0.00 -1.33 0.00 0.00 58.87 55.91 3fee n SER 509 Cb 0.00 1.89 0.30 0.00 -0.75 0.00 0.00 64.21 65.65 3fee n SER 509 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3fee n ASP 510 N -1.13 0.00 0.11 -3.46 8.00 -1.26 -2.13 116.55 116.68 3fee n ASP 510 Ca -0.03 0.46 0.11 0.00 0.71 0.00 0.00 54.79 56.03 3fee n ASP 510 Cb 0.34 -0.48 0.47 0.00 -0.02 0.00 0.00 41.12 41.43 3fee n ASP 510 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3fee n PHE 511 N -1.48 0.66 0.05 1.24 1.16 -1.26 -4.16 117.46 113.67 3fee n PHE 511 Ca 0.04 0.28 -0.11 0.00 -1.87 0.00 0.00 57.45 55.79 3fee n PHE 511 Cb 0.16 -0.95 -0.04 0.00 -1.61 0.00 0.00 39.48 37.04 3fee n PHE 511 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3fee h GLU 512 N 0.00 -0.25 -0.33 3.97 4.81 -1.74 -1.54 114.58 119.49 3fee h GLU 512 Ca 0.00 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3fee h GLU 512 Cb 0.26 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3fee h GLU 512 CO 0.00 -0.17 -0.23 0.00 -0.73 0.00 0.00 179.01 177.89 3fee h ALA 513 N 0.68 1.00 -0.68 2.92 0.00 -1.87 0.25 119.26 121.55 3fee h ALA 513 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3fee h ALA 513 Cb 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3fee h ALA 513 CO -0.17 0.59 0.45 1.88 0.00 0.00 0.00 179.25 182.00 3fee h TYR 514 N 0.56 0.84 0.00 0.00 -1.99 -1.64 -0.82 116.97 113.91 3fee h TYR 514 Ca 0.08 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.66 3fee h TYR 514 Cb 0.69 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 3fee h TYR 514 CO 0.03 0.52 -1.07 0.35 -0.00 0.00 0.00 178.16 177.99 3fee h PHE 515 N 0.90 0.00 0.00 4.88 3.57 -1.07 0.29 116.94 125.52 3fee h PHE 515 Ca 0.25 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 3fee h PHE 515 Cb -0.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3fee h PHE 515 CO -0.03 1.14 -0.51 1.96 -2.23 0.00 0.00 178.31 178.65 3fee h GLN 516 N -1.00 0.00 0.00 1.11 1.08 -0.61 -1.80 115.11 113.89 3fee h GLN 516 Ca -0.27 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.51 3fee h GLN 516 Cb 1.11 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.48 3fee h GLN 516 CO -0.16 0.51 -2.48 -2.13 -0.95 0.00 0.00 178.83 173.62 3fee n ARG 517 N -3.32 0.59 0.01 1.46 0.63 -0.55 -0.48 116.66 115.00 3fee n ARG 517 Ca 0.01 0.21 0.11 0.00 -0.92 0.00 0.00 57.85 57.26 3fee n ARG 517 Cb 0.69 -1.48 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 3fee n ARG 517 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fee n LEU 518 N -3.83 0.63 -1.71 6.15 4.77 -0.42 -4.74 117.00 117.86 3fee n LEU 518 Ca -0.50 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.19 3fee n LEU 518 Cb 0.92 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3fee n LEU 518 CO 0.12 0.11 0.04 0.61 -1.33 0.00 0.00 177.39 176.94 3fee n GLY 519 N 1.40 0.15 3.63 -0.72 0.00 -0.68 -4.78 105.19 104.19 3fee n GLY 519 Ca 0.02 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3fee n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fee s ILE 520 N -2.94 5.27 -0.01 -0.61 1.01 0.02 -3.02 121.20 120.92 3fee s ILE 520 Ca 0.19 0.38 -0.38 0.00 0.00 0.00 0.00 60.65 60.84 3fee s ILE 520 Cb -0.08 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.61 3fee s ILE 520 CO 0.23 0.26 1.39 0.00 0.00 0.00 0.00 174.94 176.82 3fee n ALA 521 N 4.77 -1.16 -2.37 9.38 0.00 -1.26 -4.05 120.51 125.82 3fee n ALA 521 Ca -0.12 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 3fee n ALA 521 Cb 0.51 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 3fee n ALA 521 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fee s SER 522 N 1.08 1.79 0.00 0.00 0.01 -1.26 -0.62 113.70 114.70 3fee s SER 522 Ca 0.88 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 3fee s SER 522 Cb -1.03 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 65.19 3fee s SER 522 CO 0.53 -0.26 0.27 -0.83 0.41 0.00 0.00 173.24 173.36 3fee s GLY 523 N -2.82 -0.10 -0.01 3.44 0.00 -0.54 -2.33 107.32 104.97 3fee s GLY 523 Ca 0.12 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.99 3fee s GLY 523 CO 0.01 -0.06 -0.02 -1.60 0.00 0.00 0.00 173.10 171.43 3fee s ARG 524 N -1.68 0.34 -0.04 2.90 3.52 0.03 -1.70 118.95 122.33 3fee s ARG 524 Ca -0.11 -0.06 -0.03 0.00 -0.13 0.00 0.00 55.73 55.40 3fee s ARG 524 Cb -0.04 -0.39 0.02 0.00 -1.56 0.00 0.00 34.95 32.97 3fee s ARG 524 CO 0.02 -0.00 0.09 0.00 -0.81 0.00 0.00 175.30 174.60 3fee s ALA 525 N 0.36 -0.20 0.13 6.12 0.00 -1.26 -1.22 121.76 125.69 3fee s ALA 525 Ca -0.04 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3fee s ALA 525 Cb -0.07 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.92 3fee s ALA 525 CO -0.01 -0.07 0.78 -0.98 0.00 0.00 0.00 175.76 175.49 3fee s ARG 526 N 0.33 1.21 0.36 0.00 3.03 -0.84 -4.90 118.95 118.14 3fee s ARG 526 Ca -0.02 -0.55 -0.24 0.00 2.03 0.00 0.00 55.73 56.95 3fee s ARG 526 Cb -0.04 0.49 -0.10 0.00 -1.03 0.00 0.00 34.95 34.27 3fee s ARG 526 CO -0.01 -0.54 0.95 0.71 -1.13 0.00 0.00 175.30 175.28 3fee s TYR 527 N -3.49 3.54 0.32 5.89 1.51 -0.13 -0.38 117.35 124.60 3fee s TYR 527 Ca 0.06 1.72 0.01 0.00 -1.01 0.00 0.00 57.07 57.85 3fee s TYR 527 Cb -0.02 -2.91 -0.01 0.00 -0.11 0.00 0.00 41.96 38.90 3fee s TYR 527 CO -0.05 0.05 0.37 -0.08 -1.11 0.00 0.00 175.55 174.72 3fee s THR 528 N -1.80 0.00 1.05 -0.71 -1.32 0.35 -1.45 115.64 111.76 3fee s THR 528 Ca 0.54 -1.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.09 3fee s THR 528 Cb -0.16 -2.55 0.22 0.00 -1.51 0.00 0.00 72.50 68.50 3fee s THR 528 CO 0.21 0.00 1.17 -1.59 -2.21 0.00 0.00 174.62 172.19 3fee s LYS 529 N -3.38 -0.03 0.00 7.08 -2.85 -1.26 -0.96 119.74 118.35 3fee s LYS 529 Ca 0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 3fee s LYS 529 Cb 0.01 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 3fee s LYS 529 CO 0.21 -2.93 0.00 -1.71 0.10 0.00 0.00 175.35 171.03 3fee n ASN 530 N -4.22 0.00 -0.23 0.03 2.85 -1.26 -4.62 115.26 107.81 3fee n ASN 530 Ca 0.11 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 3fee n ASN 530 Cb 0.59 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.47 3fee n ASN 530 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3fee n ASP 534 N -1.09 -0.72 0.00 1.20 8.00 -1.26 -5.08 116.55 117.59 3fee n ASP 534 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 3fee n ASP 534 Cb 0.00 -0.36 0.04 0.00 -0.02 0.00 0.00 41.12 40.77 3fee n ASP 534 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fee n LYS 535 N 1.91 0.02 -2.06 -1.24 4.76 -1.26 -4.93 118.16 115.36 3fee n LYS 535 Ca 0.00 -0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3fee n LYS 535 Cb 0.00 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.70 3fee n LYS 535 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3fee s TYR 536 N -3.01 2.76 0.39 2.13 1.13 -1.26 -4.83 117.35 114.65 3fee s TYR 536 Ca 0.09 1.54 -0.06 0.00 -1.41 0.00 0.00 57.07 57.23 3fee s TYR 536 Cb 0.17 -3.16 -0.05 0.00 -1.10 0.00 0.00 41.96 37.82 3fee s TYR 536 CO 0.80 -1.43 0.69 -1.12 -2.51 0.00 0.00 175.55 171.97 3fee s SER 537 N -2.32 6.39 0.08 -0.18 0.01 0.12 -4.89 113.70 112.91 3fee s SER 537 Ca 0.68 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.80 3fee s SER 537 Cb -0.20 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3fee s SER 537 CO 0.34 -0.39 0.00 -1.20 0.41 0.00 0.00 173.24 172.40 3fee n SER 538 N -1.57 0.00 -4.11 2.44 7.64 -1.26 -4.50 113.62 112.27 3fee n SER 538 Ca -0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3fee n SER 538 Cb 0.55 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 3fee n SER 538 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3fee s TYR 539 N 0.00 0.69 0.24 1.43 -0.85 -1.26 -4.94 117.35 112.66 3fee s TYR 539 Ca 0.00 -0.81 -0.04 0.00 -0.52 0.00 0.00 57.07 55.69 3fee s TYR 539 Cb 0.00 -0.43 0.40 0.00 0.38 0.00 0.00 41.96 42.32 3fee s TYR 539 CO 0.00 -0.19 1.80 -1.35 -1.52 0.00 0.00 175.55 174.29 3fee h PRO 540 N 3.53 0.71 -0.57 -3.49 0.11 -1.80 -1.99 132.00 128.50 3fee h PRO 540 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3fee h PRO 540 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3fee h PRO 540 CO 0.57 0.47 0.00 1.33 -0.21 0.00 0.00 178.00 180.16 3fee n VAL 541 N -4.78 1.02 -1.64 3.15 0.24 -1.26 -4.51 118.33 110.56 3fee n VAL 541 Ca 0.14 -0.76 -0.53 0.00 -2.04 0.00 0.00 64.34 61.14 3fee n VAL 541 Cb 0.30 0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.76 3fee n VAL 541 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fee n TYR 542 N 0.84 1.74 -1.97 6.34 9.36 -0.75 -1.56 117.16 131.16 3fee n TYR 542 Ca 0.18 0.57 -0.17 0.00 3.32 0.00 0.00 57.90 61.79 3fee n TYR 542 Cb 0.56 -2.39 -0.04 0.00 -0.63 0.00 0.00 39.34 36.85 3fee n TYR 542 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3fee n HIS 543 N 3.60 -0.47 -4.07 2.98 8.25 -1.26 -4.72 115.22 119.53 3fee n HIS 543 Ca 0.21 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.40 3fee n HIS 543 Cb 0.18 -3.24 -0.03 0.00 1.12 0.00 0.00 29.99 28.02 3fee n HIS 543 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3fee s THR 544 N -2.76 1.72 -0.34 1.59 -4.23 -0.60 -1.48 115.64 109.53 3fee s THR 544 Ca 0.00 -1.61 0.22 0.00 -1.18 0.00 0.00 61.69 59.12 3fee s THR 544 Cb 0.00 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.74 3fee s THR 544 CO 0.00 0.00 1.68 2.30 -0.54 0.00 0.00 174.62 178.06 3fee n ILE 545 N -1.58 0.95 1.04 2.99 -5.35 -1.26 -3.21 119.36 112.95 3fee n ILE 545 Ca -0.05 0.50 0.10 0.00 -0.27 0.00 0.00 62.75 63.03 3fee n ILE 545 Cb 0.65 -1.47 0.31 0.00 -1.74 0.00 0.00 39.64 37.39 3fee n ILE 545 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3fee n TYR 546 N -2.24 0.31 -2.57 4.28 4.01 -1.26 -4.57 117.16 115.12 3fee n TYR 546 Ca 0.00 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3fee n TYR 546 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3fee n TYR 546 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3fee s GLU 547 N -1.69 3.80 0.29 -0.72 2.02 -1.20 -4.75 118.70 116.46 3fee s GLU 547 Ca 0.31 -1.61 0.10 0.00 0.02 0.00 0.00 54.97 53.80 3fee s GLU 547 Cb 0.17 -5.46 -0.05 0.00 0.10 0.00 0.00 34.13 28.89 3fee s GLU 547 CO 0.25 -2.25 -0.03 0.95 0.02 0.00 0.00 175.26 174.20 3fee s THR 548 N 4.60 3.03 0.28 3.63 -4.23 -1.26 -1.57 115.64 120.12 3fee s THR 548 Ca 0.51 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3fee s THR 548 Cb 0.02 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.41 3fee s THR 548 CO 0.00 -0.33 1.82 0.15 -0.54 0.00 0.00 174.62 175.73 3fee h PHE 549 N 1.93 1.10 -0.74 3.99 3.04 -1.92 -1.70 116.94 122.64 3fee h PHE 549 Ca -0.43 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.52 3fee h PHE 549 Cb 1.25 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 3fee h PHE 549 CO 0.71 0.41 0.34 0.93 -2.02 0.00 0.00 178.31 178.68 3fee h GLU 550 N 0.94 1.06 -0.44 1.11 3.07 -1.95 0.19 114.58 118.56 3fee h GLU 550 Ca 0.49 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 59.24 3fee h GLU 550 Cb 0.52 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 3fee h GLU 550 CO -0.28 0.82 0.22 1.25 -1.40 0.00 0.00 179.01 179.62 3fee h LEU 551 N 1.05 0.32 -0.14 1.33 5.85 -1.61 -0.05 115.31 122.04 3fee h LEU 551 Ca 0.25 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3fee h LEU 551 Cb 0.12 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3fee h LEU 551 CO -0.03 0.23 -0.13 0.58 -0.34 0.00 0.00 178.44 178.75 3fee h VAL 552 N 0.44 1.34 -0.43 1.05 2.07 -0.99 -1.51 116.25 118.23 3fee h VAL 552 Ca 0.19 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 3fee h VAL 552 Cb 0.10 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3fee h VAL 552 CO -0.13 0.37 -0.17 -0.08 0.02 0.00 0.00 177.57 177.57 3fee h GLU 553 N -0.03 0.82 0.18 1.57 4.22 -0.89 -1.01 114.58 119.44 3fee h GLU 553 Ca 0.02 -0.31 -0.34 0.00 0.08 0.00 0.00 59.36 58.82 3fee h GLU 553 Cb 0.65 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3fee h GLU 553 CO 0.03 0.94 -1.65 0.87 -2.18 0.00 0.00 179.01 177.02 3fee h LYS 554 N 0.73 0.38 0.00 1.92 1.79 -1.00 -3.12 116.57 117.25 3fee h LYS 554 Ca 0.11 -0.64 -0.10 0.00 -2.18 0.00 0.00 60.65 57.84 3fee h LYS 554 Cb 0.69 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 3fee h LYS 554 CO 0.05 1.28 -1.44 1.19 -1.08 0.00 0.00 179.45 179.45 3fee n PHE 555 N -3.57 0.00 -0.13 -1.35 3.72 -0.57 -4.78 117.46 110.78 3fee n PHE 555 Ca -0.21 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.93 3fee n PHE 555 Cb 1.07 -0.30 -0.11 0.00 -0.94 0.00 0.00 39.48 39.20 3fee n PHE 555 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3fee n TYR 556 N -2.15 0.12 -2.74 1.38 4.02 -0.80 -4.93 117.16 112.06 3fee n TYR 556 Ca -0.09 0.04 -0.08 0.00 -0.01 0.00 0.00 57.90 57.76 3fee n TYR 556 Cb 0.61 -1.01 0.05 0.00 -0.02 0.00 0.00 39.34 38.97 3fee n TYR 556 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3fee n ASP 557 N -3.94 -2.69 -0.04 7.72 2.03 -0.45 -4.68 116.55 114.50 3fee n ASP 557 Ca -0.50 -3.14 0.09 0.00 0.52 0.00 0.00 54.79 51.77 3fee n ASP 557 Cb 0.91 1.71 0.48 0.00 -0.72 0.00 0.00 41.12 43.50 3fee n ASP 557 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3fee h PRO 558 N 3.86 0.42 -0.00 -0.67 0.11 -1.72 0.18 132.00 134.18 3fee h PRO 558 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3fee h PRO 558 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fee h PRO 558 CO 0.26 0.28 -0.19 0.25 -0.21 0.00 0.00 178.00 178.39 3fee n THR 559 N -4.47 0.00 -1.09 -1.15 -2.24 -1.26 -4.92 114.28 99.14 3fee n THR 559 Ca 0.07 -0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 3fee n THR 559 Cb 0.26 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 3fee n THR 559 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fee n PHE 560 N -1.18 -0.01 0.04 4.78 3.72 0.05 -4.80 117.46 120.06 3fee n PHE 560 Ca 0.10 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.45 3fee n PHE 560 Cb 0.31 -2.23 0.13 0.00 -0.94 0.00 0.00 39.48 36.75 3fee n PHE 560 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3fee h LYS 561 N 0.00 0.41 -0.19 -1.08 1.57 -1.92 0.23 116.57 115.59 3fee h LYS 561 Ca -0.08 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 3fee h LYS 561 Cb 1.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3fee h LYS 561 CO 0.12 0.80 -0.19 0.87 -0.57 0.00 0.00 179.45 180.47 3fee h LYS 562 N 0.33 0.47 -0.99 3.15 1.57 -1.89 -1.16 116.57 118.05 3fee h LYS 562 Ca 0.02 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3fee h LYS 562 Cb 0.95 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 3fee h LYS 562 CO 0.08 0.82 0.65 1.96 -0.57 0.00 0.00 179.45 182.40 3fee h GLN 563 N 0.14 1.28 -0.80 3.15 4.20 -1.86 -1.91 115.11 119.31 3fee h GLN 563 Ca 0.03 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3fee h GLN 563 Cb 0.74 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 3fee h GLN 563 CO 0.05 0.85 0.51 1.25 -0.67 0.00 0.00 178.83 180.82 3fee h LEU 564 N 1.32 0.84 -1.23 1.46 5.85 -0.75 -1.14 115.31 121.66 3fee h LEU 564 Ca 0.37 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 3fee h LEU 564 Cb -0.11 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3fee h LEU 564 CO -0.09 0.58 0.19 0.77 -0.34 0.00 0.00 178.44 179.54 3fee h SER 565 N 0.99 0.66 -0.42 1.25 4.64 -0.43 0.33 113.55 120.57 3fee h SER 565 Ca 0.32 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.46 3fee h SER 565 Cb 0.03 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3fee h SER 565 CO -0.12 0.60 -0.16 0.58 -0.87 0.00 0.00 176.83 176.87 3fee h VAL 566 N 0.71 1.28 -0.63 0.95 2.07 -0.96 -0.99 116.25 118.68 3fee h VAL 566 Ca 0.17 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.43 3fee h VAL 566 Cb 0.16 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3fee h VAL 566 CO -0.01 0.43 0.40 0.00 0.02 0.00 0.00 177.57 178.41 3fee h ALA 567 N 0.84 0.81 -0.74 1.67 0.00 -0.62 0.23 119.26 121.46 3fee h ALA 567 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3fee h ALA 567 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fee h ALA 567 CO 0.05 0.18 0.33 1.96 0.00 0.00 0.00 179.25 181.77 3fee h GLN 568 N 0.80 1.08 -0.23 0.00 4.20 -0.77 -0.36 115.11 119.85 3fee h GLN 568 Ca 0.24 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3fee h GLN 568 Cb -0.03 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3fee h GLN 568 CO -0.08 0.87 -0.13 1.25 -0.67 0.00 0.00 178.83 180.06 3fee h LEU 569 N 1.05 0.51 -0.44 1.46 5.85 -0.84 0.57 115.31 123.47 3fee h LEU 569 Ca 0.25 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3fee h LEU 569 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3fee h LEU 569 CO -0.03 0.83 0.24 0.03 -0.34 0.00 0.00 178.44 179.17 3fee h ARG 570 N 0.20 0.61 -0.49 1.25 3.08 -0.87 -0.44 114.38 117.72 3fee h ARG 570 Ca 0.05 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3fee h ARG 570 Cb 0.65 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3fee h ARG 570 CO 0.04 0.48 0.08 0.78 -1.07 0.00 0.00 179.97 180.28 3fee h GLY 571 N 0.57 0.88 1.58 0.04 0.00 -1.02 -2.10 103.07 103.02 3fee h GLY 571 Ca 0.15 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3fee h GLY 571 CO -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 176.54 177.03 3fee h ALA 572 N 0.97 1.33 -0.08 3.60 0.00 -0.66 0.06 119.26 124.48 3fee h ALA 572 Ca 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fee h ALA 572 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3fee h ALA 572 CO 0.01 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.68 3fee h LEU 573 N 0.50 0.11 -0.45 0.00 3.38 -0.88 -0.09 115.31 117.87 3fee h LEU 573 Ca 0.10 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fee h LEU 573 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3fee h LEU 573 CO 0.01 0.20 0.28 0.58 0.09 0.00 0.00 178.44 179.61 3fee h VAL 574 N 0.00 1.07 -0.15 1.22 2.07 -1.06 -1.62 116.25 117.79 3fee h VAL 574 Ca 0.03 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3fee h VAL 574 Cb 0.12 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3fee h VAL 574 CO -0.00 0.10 0.06 0.22 0.02 0.00 0.00 177.57 177.97 3fee h TYR 575 N 0.57 0.12 -0.25 1.57 3.20 -0.66 -0.45 116.97 121.06 3fee h TYR 575 Ca 0.17 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3fee h TYR 575 Cb -0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3fee h TYR 575 CO -0.06 0.07 -0.28 0.93 -1.64 0.00 0.00 178.16 177.18 3fee h GLU 576 N 0.14 0.49 -0.15 1.82 4.39 -0.79 -0.15 114.58 120.34 3fee h GLU 576 Ca 0.06 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 3fee h GLU 576 Cb 0.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3fee h GLU 576 CO -0.05 0.72 -0.52 -0.07 -1.16 0.00 0.00 179.01 177.93 3fee h LEU 577 N 0.43 0.46 0.00 1.33 3.38 -1.03 -2.42 115.31 117.45 3fee h LEU 577 Ca 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3fee h LEU 577 Cb 0.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fee h LEU 577 CO 0.05 0.90 -0.92 1.62 0.09 0.00 0.00 178.44 180.18 3fee h VAL 578 N 0.32 0.15 0.00 1.22 3.04 -0.72 -3.40 116.25 116.86 3fee h VAL 578 Ca 0.01 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 3fee h VAL 578 Cb 1.03 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 3fee h VAL 578 CO 0.09 0.08 -1.21 -0.67 -1.01 0.00 0.00 177.57 174.86 3fee n ASP 579 N -2.81 3.39 -4.74 3.17 4.64 -0.10 -0.84 116.55 119.26 3fee n ASP 579 Ca -0.01 -0.04 -0.41 0.00 -1.38 0.00 0.00 54.79 52.94 3fee n ASP 579 Cb 0.62 1.26 -0.03 0.00 -1.04 0.00 0.00 41.12 41.92 3fee n ASP 579 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3fee s SER 580 N -2.62 6.90 0.13 1.67 0.15 -0.91 -4.64 113.70 114.37 3fee s SER 580 Ca -0.02 2.44 -0.21 0.00 0.70 0.00 0.00 55.95 58.86 3fee s SER 580 Cb 0.04 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 3fee s SER 580 CO 0.25 -0.51 1.69 0.50 1.20 0.00 0.00 173.24 176.37 3fee h LYS 581 N 4.98 -0.09 -5.23 5.44 3.64 -1.94 -3.38 116.57 119.99 3fee h LYS 581 Ca -0.45 0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.32 3fee h LYS 581 Cb 1.22 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 3fee h LYS 581 CO 0.75 -0.06 -0.33 0.42 -2.27 0.00 0.00 179.45 177.96 3fee s ILE 582 N -6.18 5.26 0.17 2.00 -1.09 -1.26 -4.99 121.20 115.11 3fee s ILE 582 Ca -0.14 0.47 -0.34 0.00 -2.23 0.00 0.00 60.65 58.41 3fee s ILE 582 Cb 0.10 -3.63 -0.14 0.00 -1.58 0.00 0.00 42.46 37.21 3fee s ILE 582 CO 0.68 0.27 1.61 -0.38 -1.23 0.00 0.00 174.94 175.88 3fee n ILE 583 N 4.49 0.00 -1.71 2.92 5.41 -1.26 -4.83 119.36 124.38 3fee n ILE 583 Ca -0.11 -0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.25 3fee n ILE 583 Cb 0.51 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 3fee n ILE 583 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3fee n PRO 584 N 3.53 4.21 -4.00 0.38 -0.04 -1.26 -4.90 135.00 132.93 3fee n PRO 584 Ca 0.17 -2.94 -0.26 0.00 -0.04 0.00 0.00 63.50 60.43 3fee n PRO 584 Cb 0.30 -2.69 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 3fee n PRO 584 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3fee s PHE 585 N 0.14 3.36 -0.15 0.54 0.08 -1.26 -4.54 117.98 116.15 3fee s PHE 585 Ca 0.60 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.72 3fee s PHE 585 Cb 0.19 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3fee s PHE 585 CO -0.08 0.52 -0.13 1.21 -0.10 0.00 0.00 175.22 176.63 3fee s ASN 586 N -3.22 2.72 0.26 1.36 3.84 -0.90 -5.00 114.94 114.00 3fee s ASN 586 Ca 0.33 -0.52 0.19 0.00 0.21 0.00 0.00 52.86 53.08 3fee s ASN 586 Cb -0.11 -1.16 0.08 0.00 -0.55 0.00 0.00 41.25 39.51 3fee s ASN 586 CO 0.27 -0.07 1.27 0.40 -2.79 0.00 0.00 177.10 176.18 3fee h ILE 587 N 6.10 0.37 -0.28 -5.21 2.04 -1.91 -3.20 117.51 115.43 3fee h ILE 587 Ca -0.37 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.88 3fee h ILE 587 Cb 1.13 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3fee h ILE 587 CO 0.52 0.21 0.08 1.56 0.00 0.00 0.00 178.15 180.51 3fee h GLN 588 N 0.00 0.39 -0.31 2.37 4.20 -1.95 -0.57 115.11 119.24 3fee h GLN 588 Ca -0.03 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3fee h GLN 588 Cb 1.24 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3fee h GLN 588 CO 0.03 0.36 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.09 3fee h ASP 589 N 0.39 0.45 -0.49 1.46 3.32 -1.86 -1.18 116.42 118.52 3fee h ASP 589 Ca 0.10 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3fee h ASP 589 Cb 0.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fee h ASP 589 CO -0.01 0.54 0.03 0.22 -1.72 0.00 0.00 179.24 178.30 3fee h TYR 590 N 0.46 0.92 -0.53 4.55 5.03 -1.34 -1.55 116.97 124.51 3fee h TYR 590 Ca 0.10 -0.15 0.06 0.00 2.58 0.00 0.00 58.73 61.32 3fee h TYR 590 Cb 0.33 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.32 3fee h TYR 590 CO 0.01 0.86 0.22 0.00 -1.32 0.00 0.00 178.16 177.93 3fee h ALA 591 N 0.94 0.66 -0.67 1.82 0.00 -0.49 -0.34 119.26 121.19 3fee h ALA 591 Ca 0.14 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fee h ALA 591 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3fee h ALA 591 CO 0.02 -0.15 0.15 1.49 0.00 0.00 0.00 179.25 180.76 3fee h GLU 592 N 0.43 1.06 -0.42 0.00 4.57 -1.11 -1.97 114.58 117.14 3fee h GLU 592 Ca 0.25 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3fee h GLU 592 Cb 0.23 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3fee h GLU 592 CO -0.22 0.95 0.27 0.00 -1.18 0.00 0.00 179.01 178.83 3fee h ALA 593 N 1.15 0.54 -0.56 2.92 0.00 -0.66 -1.92 119.26 120.73 3fee h ALA 593 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fee h ALA 593 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fee h ALA 593 CO 0.00 -0.03 0.28 -0.07 0.00 0.00 0.00 179.25 179.44 3fee h LEU 594 N 0.56 0.70 -0.77 0.00 3.38 -0.75 0.16 115.31 118.59 3fee h LEU 594 Ca 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3fee h LEU 594 Cb -0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3fee h LEU 594 CO -0.05 0.59 0.35 0.11 0.09 0.00 0.00 178.44 179.54 3fee h LYS 595 N 0.79 1.12 -0.31 1.13 1.57 -0.95 0.26 116.57 120.17 3fee h LYS 595 Ca 0.20 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3fee h LYS 595 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fee h LYS 595 CO -0.03 0.88 0.05 -0.91 -0.57 0.00 0.00 179.45 178.87 3fee h ASN 596 N 1.09 0.49 -0.32 0.86 2.35 -0.48 -1.72 115.58 117.86 3fee h ASN 596 Ca 0.26 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3fee h ASN 596 Cb 0.14 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3fee h ASN 596 CO -0.03 0.63 -0.07 1.88 -1.65 0.00 0.00 177.43 178.19 3fee h TYR 597 N 0.34 0.78 -0.38 1.19 0.05 -0.74 -0.97 116.97 117.24 3fee h TYR 597 Ca 0.09 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3fee h TYR 597 Cb 0.35 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3fee h TYR 597 CO 0.02 0.77 0.04 0.00 -1.05 0.00 0.00 178.16 177.94 3fee h ALA 598 N 1.25 0.51 -0.92 3.88 0.00 -0.85 -1.42 119.26 121.72 3fee h ALA 598 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fee h ALA 598 Cb 0.52 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3fee h ALA 598 CO 0.03 0.25 0.56 0.00 0.00 0.00 0.00 179.25 180.09 3fee h ALA 599 N 0.90 1.25 -0.17 0.00 0.00 -1.04 -1.42 119.26 118.79 3fee h ALA 599 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fee h ALA 599 Cb 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fee h ALA 599 CO 0.01 0.64 0.03 0.77 0.00 0.00 0.00 179.25 180.71 3fee h SER 600 N 1.27 0.26 0.10 0.00 0.02 -0.87 0.35 113.55 114.68 3fee h SER 600 Ca 0.33 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 3fee h SER 600 Cb -0.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3fee h SER 600 CO -0.06 0.45 -0.41 -0.29 -1.14 0.00 0.00 176.83 175.38 3fee h ILE 601 N 0.07 1.31 -0.59 3.27 6.09 -1.19 -1.43 117.51 125.03 3fee h ILE 601 Ca 0.05 -1.55 -0.09 0.00 -1.37 0.00 0.00 64.86 61.91 3fee h ILE 601 Cb 0.30 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 3fee h ILE 601 CO 0.00 0.47 0.02 0.22 -3.07 0.00 0.00 178.15 175.79 3fee h TYR 602 N 0.33 1.10 -0.57 2.19 3.20 -1.13 -2.35 116.97 119.73 3fee h TYR 602 Ca 0.03 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 3fee h TYR 602 Cb 0.86 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3fee h TYR 602 CO 0.02 0.96 0.09 -0.97 -1.64 0.00 0.00 178.16 176.63 3fee h ASN 603 N 0.93 0.87 0.45 -2.11 -0.73 -0.51 -0.95 115.58 113.53 3fee h ASN 603 Ca 0.17 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.14 3fee h ASN 603 Cb 0.52 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 3fee h ASN 603 CO 0.03 0.87 -0.08 -0.07 -0.37 0.00 0.00 177.43 177.81 3fee h LEU 604 N 0.87 0.00 0.00 0.34 3.38 -0.80 -2.14 115.31 116.96 3fee h LEU 604 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3fee h LEU 604 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3fee h LEU 604 CO 0.01 0.08 -0.27 -1.20 0.09 0.00 0.00 178.44 177.15 3fee n SER 605 N -3.45 0.55 0.05 -0.43 7.64 -0.37 -4.24 113.62 113.37 3fee n SER 605 Ca -0.01 0.29 0.03 0.00 1.01 0.00 0.00 58.87 60.18 3fee n SER 605 Cb 0.23 -0.27 0.39 0.00 -1.01 0.00 0.00 64.21 63.55 3fee n SER 605 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3fee h LYS 606 N 0.00 0.41 0.00 1.43 1.57 -1.23 -0.41 116.57 118.34 3fee h LYS 606 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fee h LYS 606 Cb 0.65 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3fee h LYS 606 CO 0.00 0.39 0.00 1.57 -0.57 0.00 0.00 179.45 180.84 3fee h LYS 607 N 0.40 0.00 -0.41 3.15 2.10 -1.78 -1.49 116.57 118.54 3fee h LYS 607 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3fee h LYS 607 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3fee h LYS 607 CO -0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 3fee n HIS 608 N -2.43 1.36 -0.28 0.07 8.25 -0.17 -4.78 115.22 117.24 3fee n HIS 608 Ca 0.00 -0.78 0.08 0.00 -0.26 0.00 0.00 57.72 56.77 3fee n HIS 608 Cb 0.16 -0.36 0.21 0.00 1.12 0.00 0.00 29.99 31.12 3fee n HIS 608 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3fee h ASP 609 N 2.80 -0.21 -0.78 0.41 3.58 -1.28 0.11 116.42 121.05 3fee h ASP 609 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3fee h ASP 609 Cb 1.58 0.32 -0.04 0.00 1.72 0.00 0.00 39.33 42.91 3fee h ASP 609 CO 0.30 -0.17 0.50 -0.61 -2.88 0.00 0.00 179.24 176.39 3fee h GLN 610 N 0.15 1.04 -0.56 0.28 5.75 -1.86 -2.14 115.11 117.76 3fee h GLN 610 Ca 0.47 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.82 3fee h GLN 610 Cb 0.89 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 3fee h GLN 610 CO -0.67 0.70 0.03 1.96 -2.65 0.00 0.00 178.83 178.20 3fee h GLN 611 N 1.06 0.93 -0.71 1.69 7.50 -1.24 -0.40 115.11 123.95 3fee h GLN 611 Ca 0.28 -0.26 0.09 0.00 0.50 0.00 0.00 58.65 59.26 3fee h GLN 611 Cb -0.10 -0.11 -0.07 0.00 0.05 0.00 0.00 27.48 27.26 3fee h GLN 611 CO -0.06 0.90 0.36 -0.07 -1.50 0.00 0.00 178.83 178.47 3fee h LEU 612 N 0.87 0.48 -0.06 1.46 3.38 -0.78 0.07 115.31 120.73 3fee h LEU 612 Ca 0.17 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3fee h LEU 612 Cb 0.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3fee h LEU 612 CO 0.02 0.28 0.01 0.74 0.09 0.00 0.00 178.44 179.58 3fee h THR 613 N 0.62 1.21 -0.31 0.22 2.02 -0.90 0.13 112.91 115.90 3fee h THR 613 Ca 0.34 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 3fee h THR 613 Cb 0.33 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3fee h THR 613 CO -0.25 0.18 -0.16 0.44 0.37 0.00 0.00 175.52 176.10 3fee h ASP 614 N -0.14 0.54 -0.42 4.18 3.32 -0.80 -2.65 116.42 120.44 3fee h ASP 614 Ca 0.02 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3fee h ASP 614 Cb 0.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3fee h ASP 614 CO 0.00 0.72 0.00 1.41 -1.72 0.00 0.00 179.24 179.65 3fee n HIS 615 N -4.17 0.55 -3.51 4.55 8.25 -0.01 -4.97 115.22 115.91 3fee n HIS 615 Ca 0.00 -0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 56.99 3fee n HIS 615 Cb 0.35 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.55 3fee n HIS 615 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fee n GLY 616 N 1.40 -0.44 3.70 -1.41 0.00 -0.63 -4.96 105.19 102.86 3fee n GLY 616 Ca 0.19 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 3fee n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fee s VAL 617 N -3.35 5.34 0.01 1.61 1.01 0.37 -5.05 120.40 120.34 3fee s VAL 617 Ca 0.24 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3fee s VAL 617 Cb -0.11 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3fee s VAL 617 CO 0.73 0.42 -0.06 -0.55 0.00 0.00 0.00 175.10 175.64 3fee s SER 618 N 0.51 0.71 0.00 3.32 0.15 -1.26 -4.63 113.70 112.50 3fee s SER 618 Ca 0.07 -0.24 0.18 0.00 0.70 0.00 0.00 55.95 56.67 3fee s SER 618 Cb -0.12 -0.04 0.57 0.00 -1.71 0.00 0.00 66.02 64.72 3fee s SER 618 CO -0.00 -0.01 1.44 0.49 1.20 0.00 0.00 173.24 176.35 3fee n PHE 619 N 2.49 0.39 -0.29 3.44 3.72 -1.26 -4.53 117.46 121.41 3fee n PHE 619 Ca -0.16 -0.19 0.01 0.00 -0.05 0.00 0.00 57.45 57.06 3fee n PHE 619 Cb 0.57 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 3fee n PHE 619 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3fee h ASP 620 N 2.66 0.73 0.41 4.37 3.32 -2.00 -1.18 116.42 124.74 3fee h ASP 620 Ca 0.00 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3fee h ASP 620 Cb 0.59 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fee h ASP 620 CO 0.00 0.45 -0.44 0.77 -1.72 0.00 0.00 179.24 178.30 3fee h SER 621 N 0.86 0.03 -0.18 6.45 4.64 -1.96 0.04 113.55 123.42 3fee h SER 621 Ca 0.38 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 3fee h SER 621 Cb 0.26 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3fee h SER 621 CO -0.21 0.46 -0.07 0.25 -0.87 0.00 0.00 176.83 176.39 3fee h LEU 622 N 0.02 0.38 -1.05 5.97 5.85 -1.53 -0.53 115.31 124.42 3fee h LEU 622 Ca -0.00 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 3fee h LEU 622 Cb 0.78 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3fee h LEU 622 CO 0.06 0.69 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.57 3fee h PHE 623 N 0.06 0.70 -0.46 1.25 0.04 -1.09 -0.98 116.94 116.47 3fee h PHE 623 Ca 0.04 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 3fee h PHE 623 Cb 0.54 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3fee h PHE 623 CO 0.06 0.67 0.13 1.03 -0.60 0.00 0.00 178.31 179.61 3fee h SER 624 N 0.62 0.67 -0.65 2.17 0.87 -0.84 -0.65 113.55 115.74 3fee h SER 624 Ca 0.13 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3fee h SER 624 Cb 0.41 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3fee h SER 624 CO 0.02 0.71 0.40 0.00 -0.53 0.00 0.00 176.83 177.43 3fee h ALA 625 N 0.99 0.83 -0.69 6.23 0.00 -0.73 0.11 119.26 126.00 3fee h ALA 625 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3fee h ALA 625 Cb 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3fee h ALA 625 CO -0.00 0.30 0.28 0.28 0.00 0.00 0.00 179.25 180.11 3fee h VAL 626 N 0.89 1.24 -0.37 0.00 2.07 -0.93 0.20 116.25 119.35 3fee h VAL 626 Ca 0.24 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3fee h VAL 626 Cb -0.03 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3fee h VAL 626 CO -0.04 0.30 0.20 0.50 0.02 0.00 0.00 177.57 178.54 3fee h LYS 627 N 0.98 0.53 -0.73 1.57 3.64 -0.74 -0.43 116.57 121.37 3fee h LYS 627 Ca 0.23 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3fee h LYS 627 Cb 0.20 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3fee h LYS 627 CO -0.02 0.44 0.36 -0.91 -2.27 0.00 0.00 179.45 177.05 3fee h ASN 628 N 0.47 0.94 -0.64 4.20 2.35 -0.56 -1.68 115.58 120.66 3fee h ASN 628 Ca 0.13 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3fee h ASN 628 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3fee h ASN 628 CO -0.02 0.79 0.18 0.15 -1.65 0.00 0.00 177.43 176.88 3fee h PHE 629 N 1.04 1.06 -0.51 1.19 3.57 -0.26 -1.08 116.94 121.94 3fee h PHE 629 Ca 0.25 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fee h PHE 629 Cb 0.09 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3fee h PHE 629 CO 0.01 0.87 0.30 1.03 -2.23 0.00 0.00 178.31 178.29 3fee h SER 630 N 0.94 0.63 -0.63 0.41 0.87 -0.63 0.12 113.55 115.25 3fee h SER 630 Ca 0.20 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3fee h SER 630 Cb 0.33 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3fee h SER 630 CO -0.00 0.52 0.34 -0.08 -0.53 0.00 0.00 176.83 177.08 3fee h GLU 631 N 0.69 0.88 -0.44 2.24 4.81 -1.17 -1.33 114.58 120.26 3fee h GLU 631 Ca 0.18 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3fee h GLU 631 Cb 0.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3fee h GLU 631 CO -0.03 0.67 -0.08 0.00 -0.73 0.00 0.00 179.01 178.84 3fee h ALA 632 N 1.16 1.02 -0.44 2.92 0.00 -0.74 -0.30 119.26 122.89 3fee h ALA 632 Ca 0.22 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3fee h ALA 632 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fee h ALA 632 CO -0.04 0.59 -0.26 0.00 0.00 0.00 0.00 179.25 179.55 3fee h ALA 633 N 1.19 0.71 0.28 0.00 0.00 -0.60 0.40 119.26 121.24 3fee h ALA 633 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fee h ALA 633 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fee h ALA 633 CO 0.03 0.67 -0.13 1.03 0.00 0.00 0.00 179.25 180.85 3fee h SER 634 N 0.80 -0.32 -1.00 0.00 0.87 -1.08 -1.59 113.55 111.22 3fee h SER 634 Ca 0.10 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3fee h SER 634 Cb 0.82 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 3fee h SER 634 CO 0.07 -0.14 0.65 0.44 -0.53 0.00 0.00 176.83 177.32 3fee h ASP 635 N -0.48 1.05 -0.36 6.23 3.32 -0.99 -0.54 116.42 124.64 3fee h ASP 635 Ca -0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fee h ASP 635 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3fee h ASP 635 CO 0.06 0.68 0.23 0.15 -1.72 0.00 0.00 179.24 178.64 3fee h PHE 636 N 1.19 0.47 -0.04 4.55 3.57 -0.70 -0.67 116.94 125.32 3fee h PHE 636 Ca 0.43 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 3fee h PHE 636 Cb 0.14 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3fee h PHE 636 CO -0.00 0.32 -0.45 0.45 -2.23 0.00 0.00 178.31 176.40 3fee h HIS 637 N 0.48 0.11 -0.75 0.41 3.86 -0.88 0.18 115.15 118.56 3fee h HIS 637 Ca 0.13 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3fee h HIS 637 Cb -0.02 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3fee h HIS 637 CO -0.04 0.53 0.34 0.87 0.86 0.00 0.00 177.93 180.49 3fee h LYS 638 N 0.08 1.08 -0.00 2.45 1.57 -0.69 -2.59 116.57 118.47 3fee h LYS 638 Ca 0.00 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.41 3fee h LYS 638 Cb 0.83 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3fee h LYS 638 CO 0.06 0.85 -0.90 0.00 -0.57 0.00 0.00 179.45 178.89 3fee h ARG 639 N 1.07 0.31 -0.77 3.15 3.08 -0.42 -3.31 114.38 117.50 3fee h ARG 639 Ca 0.26 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3fee h ARG 639 Cb 0.14 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3fee h ARG 639 CO -0.03 1.03 0.43 1.25 -1.07 0.00 0.00 179.97 181.58 3fee h LEU 640 N 0.18 0.95 -0.98 3.04 5.85 -0.32 -0.95 115.31 123.08 3fee h LEU 640 Ca -0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3fee h LEU 640 Cb 1.53 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3fee h LEU 640 CO 0.15 0.76 0.00 0.16 -0.34 0.00 0.00 178.44 179.17 3fee h ILE 641 N 1.08 0.00 -0.00 4.05 3.07 -1.55 -2.24 117.51 121.91 3fee h ILE 641 Ca 0.27 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.46 3fee h ILE 641 Cb 0.02 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 3fee h ILE 641 CO -0.05 0.00 -0.45 0.00 -1.05 0.00 0.00 178.15 176.60 3fee n GLN 642 N -2.37 0.45 -1.75 0.16 1.13 -0.38 -4.98 117.38 109.65 3fee n GLN 642 Ca 0.01 -0.29 -0.39 0.00 -1.94 0.00 0.00 57.00 54.39 3fee n GLN 642 Cb 0.20 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.09 3fee n GLN 642 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 3fee n VAL 643 N -1.02 3.19 -2.56 5.09 3.14 -0.84 -4.89 118.33 120.44 3fee n VAL 643 Ca 0.08 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.55 3fee n VAL 643 Cb 0.35 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.36 3fee n VAL 643 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3fee s ASP 644 N -0.65 6.31 0.28 6.55 -1.08 -1.26 -4.86 116.67 121.95 3fee s ASP 644 Ca 0.65 -0.13 0.22 0.00 -0.52 0.00 0.00 52.55 52.77 3fee s ASP 644 Cb -0.44 -2.56 1.04 0.00 -1.46 0.00 0.00 42.92 39.50 3fee s ASP 644 CO 0.54 -1.65 1.66 0.18 0.52 0.00 0.00 175.17 176.42 3fee n LEU 645 N 8.90 0.58 -1.07 -1.34 4.77 -1.26 -1.19 117.00 126.39 3fee n LEU 645 Ca 0.06 0.71 0.11 0.00 -0.03 0.00 0.00 56.01 56.86 3fee n LEU 645 Cb 0.49 -0.70 0.27 0.00 -2.33 0.00 0.00 43.42 41.14 3fee n LEU 645 CO 0.71 -0.75 0.73 0.59 -1.33 0.00 0.00 177.39 177.34 3fee n ASN 646 N -2.21 3.14 -4.14 -1.43 3.02 -1.26 -4.76 115.26 107.62 3fee n ASN 646 Ca 0.00 -1.96 -0.37 0.00 -0.03 0.00 0.00 54.58 52.23 3fee n ASN 646 Cb 0.12 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 3fee n ASN 646 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fee s ASN 647 N -1.29 5.28 0.32 6.41 3.84 -0.34 -5.00 114.94 124.17 3fee s ASN 647 Ca 0.39 -1.89 0.01 0.00 0.21 0.00 0.00 52.86 51.58 3fee s ASN 647 Cb 0.22 -1.84 0.54 0.00 -0.55 0.00 0.00 41.25 39.61 3fee s ASN 647 CO 0.29 -0.52 1.92 -0.65 -2.79 0.00 0.00 177.10 175.35 3fee h PRO 648 N 8.10 0.78 -0.23 0.43 0.11 -1.85 -1.59 132.00 137.75 3fee h PRO 648 Ca -0.15 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 65.69 3fee h PRO 648 Cb 1.05 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3fee h PRO 648 CO 0.69 0.63 -0.51 0.97 -0.21 0.00 0.00 178.00 179.57 3fee h ILE 649 N 0.78 1.31 -0.66 4.15 6.09 -1.94 0.12 117.51 127.35 3fee h ILE 649 Ca 0.19 -1.73 0.01 0.00 -1.37 0.00 0.00 64.86 61.96 3fee h ILE 649 Cb 0.12 1.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.06 3fee h ILE 649 CO -0.02 0.55 0.43 0.00 -3.07 0.00 0.00 178.15 176.04 3fee h ALA 650 N 0.93 0.84 -0.36 0.18 0.00 -1.72 0.38 119.26 119.51 3fee h ALA 650 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3fee h ALA 650 Cb 1.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3fee h ALA 650 CO 0.10 0.25 0.06 0.28 0.00 0.00 0.00 179.25 179.94 3fee h VAL 651 N 0.88 1.24 -0.59 0.00 2.07 -1.16 -2.68 116.25 116.01 3fee h VAL 651 Ca 0.25 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3fee h VAL 651 Cb -0.08 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3fee h VAL 651 CO -0.06 0.28 0.07 -0.09 0.02 0.00 0.00 177.57 177.79 3fee h ARG 652 N 0.43 0.96 -0.55 1.57 9.65 -0.51 0.82 114.38 126.75 3fee h ARG 652 Ca 0.11 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 3fee h ARG 652 Cb 0.35 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3fee h ARG 652 CO 0.01 0.90 0.28 0.52 2.80 0.00 0.00 179.97 184.48 3fee h MET 653 N 0.90 0.78 0.07 0.20 2.86 -0.86 0.18 114.93 119.05 3fee h MET 653 Ca 0.18 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3fee h MET 653 Cb 0.43 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3fee h MET 653 CO 0.01 0.62 -0.09 0.52 1.06 0.00 0.00 176.91 179.04 3fee h MET 654 N 0.74 -0.18 -0.47 1.72 2.86 -1.11 -2.25 114.93 116.24 3fee h MET 654 Ca 0.19 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3fee h MET 654 Cb 0.09 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3fee h MET 654 CO -0.03 -0.12 0.24 -0.91 1.06 0.00 0.00 176.91 177.16 3fee h ASN 655 N -0.19 0.58 -0.28 1.22 2.35 -0.60 -1.22 115.58 117.44 3fee h ASN 655 Ca 0.01 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3fee h ASN 655 Cb 0.19 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3fee h ASN 655 CO -0.04 0.48 -0.10 0.44 -1.65 0.00 0.00 177.43 176.56 3fee h ASP 656 N 0.66 0.67 -0.64 5.81 3.32 -0.38 0.18 116.42 126.04 3fee h ASP 656 Ca 0.17 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3fee h ASP 656 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3fee h ASP 656 CO -0.03 0.80 0.04 1.56 -1.72 0.00 0.00 179.24 179.90 3fee h GLN 657 N 0.63 1.10 -0.65 3.56 4.20 -0.66 0.46 115.11 123.75 3fee h GLN 657 Ca 0.11 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 3fee h GLN 657 Cb 0.54 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3fee h GLN 657 CO 0.03 1.05 0.10 -0.07 -0.67 0.00 0.00 178.83 179.27 3fee h LEU 658 N 1.02 1.02 -0.60 1.46 3.38 -0.73 -2.26 115.31 118.60 3fee h LEU 658 Ca 0.19 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3fee h LEU 658 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fee h LEU 658 CO 0.02 1.02 -0.39 -0.03 0.09 0.00 0.00 178.44 179.16 3fee h MET 659 N 1.00 0.67 -0.01 1.13 4.05 -0.39 -3.21 114.93 118.17 3fee h MET 659 Ca 0.20 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3fee h MET 659 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3fee h MET 659 CO 0.01 0.95 -0.14 1.28 0.23 0.00 0.00 176.91 179.24 3fee n LEU 660 N -4.04 1.22 -0.07 3.39 4.77 0.13 -4.20 117.00 118.20 3fee n LEU 660 Ca -0.02 -0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 55.50 3fee n LEU 660 Cb 0.52 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3fee n LEU 660 CO 0.46 0.21 0.83 0.25 -1.33 0.00 0.00 177.39 177.81 3fee h LEU 661 N 1.69 0.32 -1.61 2.23 7.12 -1.41 -2.05 115.31 121.60 3fee h LEU 661 Ca 0.00 -0.22 -0.02 0.00 0.13 0.00 0.00 57.88 57.77 3fee h LEU 661 Cb 0.50 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 3fee h LEU 661 CO 0.00 0.45 0.04 -0.08 -0.13 0.00 0.00 178.44 178.72 3fee h GLU 662 N 0.17 0.29 0.00 1.25 4.57 -1.79 -1.08 114.58 117.99 3fee h GLU 662 Ca 0.07 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3fee h GLU 662 Cb 0.25 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3fee h GLU 662 CO -0.00 0.28 -0.13 0.00 -1.18 0.00 0.00 179.01 177.98 3fee h ARG 663 N 0.29 0.00 0.00 1.92 2.47 -1.29 -2.65 114.38 115.11 3fee h ARG 663 Ca 0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3fee h ARG 663 Cb 0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3fee h ARG 663 CO -0.00 0.13 -0.09 0.00 0.56 0.00 0.00 179.97 180.57 3fee h ALA 664 N 1.87 1.34 0.00 0.04 0.00 -0.71 -1.78 119.26 120.01 3fee h ALA 664 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fee h ALA 664 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fee h ALA 664 CO 0.02 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.57 3fee n PHE 665 N -3.69 0.00 -3.35 0.00 3.72 -1.00 -4.70 117.46 108.44 3fee n PHE 665 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3fee n PHE 665 Cb 0.20 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 3fee n PHE 665 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3fee s ILE 666 N -2.19 5.16 -0.27 4.37 -1.09 -0.67 -1.10 121.20 125.41 3fee s ILE 666 Ca 0.39 0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 59.43 3fee s ILE 666 Cb 0.20 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3fee s ILE 666 CO 0.37 0.19 0.14 -0.62 -1.23 0.00 0.00 174.94 173.79 3fee s ASP 667 N 1.32 5.59 0.26 3.58 -1.08 0.38 -4.97 116.67 121.75 3fee s ASP 667 Ca 0.19 -0.18 0.21 0.00 -0.52 0.00 0.00 52.55 52.25 3fee s ASP 667 Cb -0.15 -2.02 0.99 0.00 -1.46 0.00 0.00 42.92 40.27 3fee s ASP 667 CO 0.09 -0.07 1.64 -0.81 0.52 0.00 0.00 175.17 176.54 3fee n PRO 668 N 5.00 0.15 0.03 4.34 -0.04 -1.26 -0.83 135.00 142.39 3fee n PRO 668 Ca -0.15 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 3fee n PRO 668 Cb 0.51 -1.87 0.52 0.00 -0.04 0.00 0.00 33.50 32.62 3fee n PRO 668 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3fee n LEU 669 N -2.17 0.23 0.00 1.53 4.77 -1.26 -5.02 117.00 115.08 3fee n LEU 669 Ca 0.01 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 3fee n LEU 669 Cb 0.14 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3fee n LEU 669 CO 0.14 -0.11 -0.10 0.61 -1.33 0.00 0.00 177.39 176.60 3fee n GLY 670 N 1.16 -1.93 3.95 -0.72 0.00 -0.01 -4.81 105.19 102.82 3fee n GLY 670 Ca 0.06 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 3fee n GLY 670 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fee s LEU 671 N 0.00 3.69 0.08 0.99 1.43 -0.65 -4.96 118.68 119.26 3fee s LEU 671 Ca 0.00 0.29 -0.35 0.00 -1.03 0.00 0.00 54.13 53.05 3fee s LEU 671 Cb 0.00 -3.17 -0.14 0.00 0.03 0.00 0.00 46.19 42.91 3fee s LEU 671 CO 0.00 -0.66 1.61 -2.65 0.23 0.00 0.00 176.35 174.88 3fee n PRO 672 N -2.04 1.97 -0.83 1.29 -0.02 -1.26 -0.81 135.00 133.31 3fee n PRO 672 Ca 0.01 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3fee n PRO 672 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3fee n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fee n GLY 673 N 3.52 0.56 2.43 -1.23 0.00 -1.26 -4.92 105.19 104.29 3fee n GLY 673 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3fee n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fee s LYS 674 N -0.45 0.73 0.66 1.61 1.02 0.01 -4.97 119.74 118.34 3fee s LYS 674 Ca 0.00 -1.71 0.42 0.00 0.02 0.00 0.00 55.97 54.70 3fee s LYS 674 Cb 0.00 -1.38 2.33 0.00 -0.52 0.00 0.00 37.83 38.27 3fee s LYS 674 CO 0.00 -1.29 2.36 -0.07 -0.92 0.00 0.00 175.35 175.42 3fee h LEU 675 N 6.36 0.00 -2.24 3.17 3.38 -1.88 -2.39 115.31 121.71 3fee h LEU 675 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fee h LEU 675 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3fee h LEU 675 CO 0.32 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.34 3fee n PHE 676 N -3.21 0.23 -3.84 1.13 3.72 -1.26 -4.57 117.46 109.66 3fee n PHE 676 Ca -0.03 -0.28 -0.36 0.00 -0.05 0.00 0.00 57.45 56.72 3fee n PHE 676 Cb 0.07 -0.02 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 3fee n PHE 676 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3fee s TYR 677 N -0.91 3.23 -0.18 1.38 2.02 -1.14 -4.16 117.35 117.59 3fee s TYR 677 Ca 0.16 -1.60 0.02 0.00 -0.37 0.00 0.00 57.07 55.28 3fee s TYR 677 Cb 0.09 -2.18 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3fee s TYR 677 CO 0.13 -0.75 0.29 0.54 -1.57 0.00 0.00 175.55 174.19 3fee n ARG 678 N 4.72 3.36 -2.86 -0.62 1.74 0.37 -1.64 116.66 121.72 3fee n ARG 678 Ca -0.13 -0.27 -0.41 0.00 -0.77 0.00 0.00 57.85 56.27 3fee n ARG 678 Cb 0.44 -0.79 -0.04 0.00 -1.02 0.00 0.00 32.46 31.06 3fee n ARG 678 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3fee s HIS 679 N -0.77 3.63 -0.29 -1.55 2.46 -1.02 -0.47 115.29 117.28 3fee s HIS 679 Ca 0.02 1.50 0.20 0.00 0.47 0.00 0.00 55.06 57.25 3fee s HIS 679 Cb 0.02 -2.97 0.15 0.00 -0.13 0.00 0.00 32.58 29.64 3fee s HIS 679 CO 0.06 0.05 1.38 0.82 -2.47 0.00 0.00 174.74 174.58 3fee h ILE 680 N 4.74 0.29 0.09 0.89 1.08 -1.50 -3.35 117.51 119.76 3fee h ILE 680 Ca -0.41 -1.45 -0.33 0.00 -0.39 0.00 0.00 64.86 62.28 3fee h ILE 680 Cb 1.21 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.96 3fee h ILE 680 CO 0.75 0.17 -1.84 0.40 -0.69 0.00 0.00 178.15 176.93 3fee h ILE 681 N 0.00 0.76 -3.84 -0.67 1.08 -1.92 -3.37 117.51 109.56 3fee h ILE 681 Ca -0.02 -2.51 -0.43 0.00 -0.39 0.00 0.00 64.86 61.51 3fee h ILE 681 Cb 1.17 2.51 -0.21 0.00 -3.07 0.00 0.00 36.82 37.23 3fee h ILE 681 CO 0.02 0.75 -0.78 -0.36 -0.69 0.00 0.00 178.15 177.10 3fee s PHE 682 N -2.58 1.35 0.13 1.37 0.40 -1.26 -0.50 117.98 116.90 3fee s PHE 682 Ca -0.15 -0.48 -0.17 0.00 -0.60 0.00 0.00 56.93 55.53 3fee s PHE 682 Cb 0.07 -0.74 0.04 0.00 0.51 0.00 0.00 43.02 42.90 3fee s PHE 682 CO 0.80 0.10 0.42 0.00 0.70 0.00 0.00 175.22 177.24 3fee s ALA 683 N -1.52 -0.98 0.37 5.36 0.00 -0.53 -4.30 121.76 120.16 3fee s ALA 683 Ca 0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 3fee s ALA 683 Cb -0.08 0.72 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 3fee s ALA 683 CO 0.03 -0.66 1.42 -2.30 0.00 0.00 0.00 175.76 174.25 3fee n PRO 684 N -0.24 2.49 -1.80 0.00 -0.02 -1.26 -0.45 135.00 133.71 3fee n PRO 684 Ca -0.16 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 3fee n PRO 684 Cb 0.64 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3fee n PRO 684 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fee s SER 685 N -0.19 5.87 0.05 2.55 0.15 0.57 -4.77 113.70 117.93 3fee s SER 685 Ca 0.54 2.91 0.20 0.00 0.70 0.00 0.00 55.95 60.30 3fee s SER 685 Cb -0.51 -2.65 0.85 0.00 -1.71 0.00 0.00 66.02 62.00 3fee s SER 685 CO 0.63 -1.18 1.65 -1.54 1.20 0.00 0.00 173.24 174.00 3fee n SER 686 N -0.21 0.15 -0.00 5.45 3.41 -1.26 -2.06 113.62 119.09 3fee n SER 686 Ca 0.05 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3fee n SER 686 Cb 0.42 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 3fee n SER 686 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fee n HIS 687 N -1.65 0.00 -3.06 7.33 8.25 -1.26 -4.88 115.22 119.95 3fee n HIS 687 Ca 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 3fee n HIS 687 Cb 0.24 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3fee n HIS 687 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3fee s ASN 688 N -3.05 -0.64 0.63 0.41 2.47 -0.88 -4.81 114.94 109.08 3fee s ASN 688 Ca 0.06 -0.06 0.38 0.00 0.42 0.00 0.00 52.86 53.67 3fee s ASN 688 Cb 0.15 1.20 2.16 0.00 -1.45 0.00 0.00 41.25 43.32 3fee s ASN 688 CO 0.83 -0.10 2.32 0.07 -3.72 0.00 0.00 177.10 176.50 3fee h LYS 689 N 6.85 0.00 0.00 0.43 2.10 -1.88 -1.10 116.57 122.97 3fee h LYS 689 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 3fee h LYS 689 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3fee h LYS 689 CO -0.04 0.00 -0.07 1.88 -2.00 0.00 0.00 179.45 179.22 3fee h TYR 690 N 0.00 0.00 -2.76 0.07 0.05 -1.88 0.41 116.97 112.87 3fee h TYR 690 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 3fee h TYR 690 Cb 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 3fee h TYR 690 CO 0.00 0.07 -0.43 0.00 -1.05 0.00 0.00 178.16 176.74 3fee s ALA 691 N -4.11 3.87 0.21 3.88 0.00 -0.42 -4.24 121.76 120.94 3fee s ALA 691 Ca -0.03 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 3fee s ALA 691 Cb 0.12 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.15 3fee s ALA 691 CO 0.54 0.63 0.71 0.20 0.00 0.00 0.00 175.76 177.84 3fee s GLY 692 N -1.31 2.62 -0.05 0.00 0.00 -1.26 -0.32 107.32 107.00 3fee s GLY 692 Ca 0.20 0.15 0.06 0.00 0.00 0.00 0.00 44.72 45.13 3fee s GLY 692 CO 0.10 0.51 -0.22 1.85 0.00 0.00 0.00 173.10 175.33 3fee s GLU 693 N -1.91 2.29 0.33 2.90 2.56 0.40 -4.79 118.70 120.48 3fee s GLU 693 Ca 0.42 -0.81 -0.07 0.00 0.00 0.00 0.00 54.97 54.51 3fee s GLU 693 Cb -0.17 -1.96 -0.06 0.00 2.00 0.00 0.00 34.13 33.94 3fee s GLU 693 CO 0.21 0.34 0.64 -1.54 -0.56 0.00 0.00 175.26 174.35 3fee s SER 694 N -0.10 6.49 -1.32 -1.70 1.04 -1.26 -1.45 113.70 115.39 3fee s SER 694 Ca -0.04 0.90 -0.23 0.00 0.48 0.00 0.00 55.95 57.06 3fee s SER 694 Cb -0.13 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.80 3fee s SER 694 CO 0.03 -0.27 0.44 0.49 0.98 0.00 0.00 173.24 174.92 3fee n PHE 695 N -1.02 -1.32 -0.09 5.02 3.72 0.35 -4.64 117.46 119.49 3fee n PHE 695 Ca 0.00 0.23 0.06 0.00 -0.05 0.00 0.00 57.45 57.70 3fee n PHE 695 Cb 0.54 -2.75 0.41 0.00 -0.94 0.00 0.00 39.48 36.74 3fee n PHE 695 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fee h PRO 696 N -2.35 0.59 -0.65 -1.08 0.13 -1.74 0.83 132.00 127.73 3fee h PRO 696 Ca -0.69 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.32 3fee h PRO 696 Cb 1.40 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3fee h PRO 696 CO 0.58 0.39 0.08 0.78 -0.23 0.00 0.00 178.00 179.61 3fee h GLY 697 N 0.61 1.18 0.93 1.56 0.00 -1.88 -0.85 103.07 104.62 3fee h GLY 697 Ca 0.23 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 3fee h GLY 697 CO -0.06 0.74 -0.35 -2.22 0.00 0.00 0.00 176.54 174.65 3fee h ILE 698 N 1.01 1.32 -0.11 2.60 2.04 -1.59 -2.49 117.51 120.29 3fee h ILE 698 Ca 0.19 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3fee h ILE 698 Cb 0.47 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3fee h ILE 698 CO 0.02 0.49 0.07 0.22 0.00 0.00 0.00 178.15 178.95 3fee h TYR 699 N 0.32 0.14 -0.04 1.37 3.20 -0.69 -1.15 116.97 120.12 3fee h TYR 699 Ca 0.02 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3fee h TYR 699 Cb 0.94 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3fee h TYR 699 CO 0.08 0.09 -0.36 -0.44 -1.64 0.00 0.00 178.16 175.90 3fee h ASP 700 N 0.15 0.08 -0.05 -2.11 3.32 -1.22 -0.29 116.42 116.30 3fee h ASP 700 Ca 0.04 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3fee h ASP 700 Cb -0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3fee h ASP 700 CO -0.01 0.44 -0.32 0.00 -1.72 0.00 0.00 179.24 177.63 3fee h ALA 701 N 1.57 0.98 0.00 3.45 0.00 -0.92 -3.19 119.26 121.14 3fee h ALA 701 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fee h ALA 701 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fee h ALA 701 CO 0.05 0.60 -0.81 0.82 0.00 0.00 0.00 179.25 179.92 3fee h ILE 702 N 0.45 0.00 -2.82 0.00 2.04 -0.88 -3.44 117.51 112.86 3fee h ILE 702 Ca 0.05 -0.95 -0.52 0.00 1.00 0.00 0.00 64.86 64.44 3fee h ILE 702 Cb 0.78 1.53 0.06 0.00 -0.74 0.00 0.00 36.82 38.45 3fee h ILE 702 CO 0.06 0.00 0.95 0.12 0.00 0.00 0.00 178.15 179.28 3fee s PHE 703 N -3.32 2.94 -1.53 1.37 5.36 -0.15 -1.91 117.98 120.75 3fee s PHE 703 Ca 0.01 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3fee s PHE 703 Cb 0.09 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3fee s PHE 703 CO 0.76 -3.90 0.00 -3.47 -1.46 0.00 0.00 175.22 167.15 3fee n ASP 704 N 3.70 -4.72 0.24 6.13 2.03 -1.26 -4.84 116.55 117.83 3fee n ASP 704 Ca 0.14 0.20 0.06 0.00 0.52 0.00 0.00 54.79 55.71 3fee n ASP 704 Cb 0.37 -4.06 0.55 0.00 -0.72 0.00 0.00 41.12 37.26 3fee n ASP 704 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3fee h ILE 705 N 0.00 1.07 0.00 5.18 2.10 -1.67 -1.10 117.51 123.10 3fee h ILE 705 Ca -0.37 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.13 3fee h ILE 705 Cb 1.22 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3fee h ILE 705 CO 0.47 0.12 0.00 1.05 -1.08 0.00 0.00 178.15 178.72 3fee h GLU 706 N 0.00 0.00 -0.28 2.19 9.09 -1.88 -1.99 114.58 121.71 3fee h GLU 706 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fee h GLU 706 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3fee h GLU 706 CO 0.02 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.17 3fee n ASN 707 N -2.61 3.21 -4.77 3.06 3.02 -0.42 -4.97 115.26 111.78 3fee n ASN 707 Ca -0.01 -1.95 -0.39 0.00 -0.03 0.00 0.00 54.58 52.21 3fee n ASN 707 Cb 0.13 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3fee n ASN 707 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fee s LYS 708 N -1.51 4.15 0.22 3.52 -0.14 -0.75 -4.93 119.74 120.29 3fee s LYS 708 Ca 0.33 1.91 -0.06 0.00 -1.36 0.00 0.00 55.97 56.79 3fee s LYS 708 Cb 0.20 -2.79 0.18 0.00 -1.68 0.00 0.00 37.83 33.74 3fee s LYS 708 CO 0.29 -0.26 1.71 0.00 -0.76 0.00 0.00 175.35 176.33 3fee h ALA 709 N 2.86 0.97 -3.60 5.17 0.00 -1.93 -3.39 119.26 119.35 3fee h ALA 709 Ca -0.49 -0.27 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 3fee h ALA 709 Cb 1.23 -0.23 -0.38 0.00 0.00 0.00 0.00 17.79 18.41 3fee h ALA 709 CO 0.63 0.64 -0.70 1.21 0.00 0.00 0.00 179.25 181.03 3fee s ASN 710 N -6.55 4.81 0.27 0.00 3.84 -1.26 -4.98 114.94 111.06 3fee s ASN 710 Ca -0.11 -1.89 0.01 0.00 0.21 0.00 0.00 52.86 51.08 3fee s ASN 710 Cb 0.14 -1.66 0.38 0.00 -0.55 0.00 0.00 41.25 39.56 3fee s ASN 710 CO 0.84 -0.36 1.73 0.77 -2.79 0.00 0.00 177.10 177.29 3fee h SER 711 N 7.77 0.60 -0.40 -4.21 4.64 -1.94 -1.69 113.55 118.33 3fee h SER 711 Ca -0.11 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3fee h SER 711 Cb 1.03 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3fee h SER 711 CO 0.54 0.78 0.16 0.03 -0.87 0.00 0.00 176.83 177.47 3fee h ARG 712 N 0.55 0.59 -0.55 4.77 3.08 -1.97 -0.87 114.38 119.97 3fee h ARG 712 Ca 0.09 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3fee h ARG 712 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3fee h ARG 712 CO 0.04 0.56 0.02 -0.07 -1.07 0.00 0.00 179.97 179.46 3fee h LEU 713 N 0.50 0.94 -0.32 3.04 3.38 -1.96 -2.39 115.31 118.50 3fee h LEU 713 Ca 0.13 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3fee h LEU 713 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fee h LEU 713 CO -0.01 1.00 0.07 0.00 0.09 0.00 0.00 178.44 179.59 3fee h ALA 714 N 0.97 0.42 0.00 1.53 0.00 -1.01 -2.15 119.26 119.02 3fee h ALA 714 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3fee h ALA 714 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fee h ALA 714 CO 0.02 0.10 -0.33 -1.49 0.00 0.00 0.00 179.25 177.55 3fee h TRP 715 N 0.36 0.00 -0.45 0.00 4.06 -1.13 -2.34 115.95 116.45 3fee h TRP 715 Ca 0.10 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.96 3fee h TRP 715 Cb 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 3fee h TRP 715 CO 0.02 0.33 -0.08 0.87 -3.56 0.00 0.00 178.44 176.03 3fee h LYS 716 N 0.00 0.78 -0.25 0.49 1.57 -1.07 -1.19 116.57 116.89 3fee h LYS 716 Ca -0.00 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3fee h LYS 716 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3fee h LYS 716 CO 0.04 0.84 -0.16 1.49 -0.57 0.00 0.00 179.45 181.09 3fee h GLU 717 N 0.72 0.44 -0.21 3.15 4.57 -0.89 0.26 114.58 122.62 3fee h GLU 717 Ca 0.13 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3fee h GLU 717 Cb 0.55 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3fee h GLU 717 CO 0.03 0.60 0.09 0.28 -1.18 0.00 0.00 179.01 178.83 3fee h VAL 718 N 0.41 1.14 -0.99 0.32 2.07 -0.96 -1.78 116.25 116.46 3fee h VAL 718 Ca 0.07 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3fee h VAL 718 Cb 0.52 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3fee h VAL 718 CO 0.03 0.14 0.65 0.11 0.02 0.00 0.00 177.57 178.52 3fee h LYS 719 N 0.20 1.23 -0.23 1.57 1.57 -0.82 -0.40 116.57 119.69 3fee h LYS 719 Ca 0.07 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3fee h LYS 719 Cb 0.13 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3fee h LYS 719 CO -0.01 0.82 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.43 3fee h LYS 720 N 1.27 0.02 0.00 3.15 3.64 -0.53 -1.53 116.57 122.59 3fee h LYS 720 Ca 0.39 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.61 3fee h LYS 720 Cb -0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3fee h LYS 720 CO -0.11 0.01 -0.75 0.45 -2.27 0.00 0.00 179.45 176.79 3fee h HIS 721 N 0.02 0.00 -0.61 1.91 3.86 -0.77 -1.13 115.15 118.44 3fee h HIS 721 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3fee h HIS 721 Cb 0.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3fee h HIS 721 CO -0.22 0.75 0.37 0.82 0.86 0.00 0.00 177.93 180.50 3fee h ILE 722 N 0.00 1.18 -0.47 2.45 2.04 -0.90 -0.78 117.51 121.02 3fee h ILE 722 Ca -0.01 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3fee h ILE 722 Cb 1.39 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3fee h ILE 722 CO 0.10 0.18 0.03 -1.28 0.00 0.00 0.00 178.15 177.18 3fee h SER 723 N 0.82 0.79 -0.64 1.72 0.87 -0.89 -0.50 113.55 115.73 3fee h SER 723 Ca 0.22 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3fee h SER 723 Cb -0.02 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 3fee h SER 723 CO -0.04 0.89 0.24 0.40 -0.53 0.00 0.00 176.83 177.78 3fee h ILE 724 N 0.67 1.24 -0.52 2.23 2.04 -1.10 -0.92 117.51 121.16 3fee h ILE 724 Ca 0.14 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 3fee h ILE 724 Cb 0.46 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3fee h ILE 724 CO 0.02 0.30 -0.08 0.00 0.00 0.00 0.00 178.15 178.38 3fee h ALA 725 N 1.09 0.88 -0.26 1.87 0.00 -0.73 -0.11 119.26 122.01 3fee h ALA 725 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fee h ALA 725 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fee h ALA 725 CO -0.01 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.97 3fee h ALA 726 N 1.05 0.34 -0.52 0.00 0.00 -0.92 -1.51 119.26 117.69 3fee h ALA 726 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fee h ALA 726 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3fee h ALA 726 CO 0.04 -0.05 0.33 0.35 0.00 0.00 0.00 179.25 179.92 3fee h PHE 727 N 0.26 0.62 -0.52 0.00 3.57 -0.99 -1.30 116.94 118.58 3fee h PHE 727 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3fee h PHE 727 Cb 0.21 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3fee h PHE 727 CO -0.00 0.38 0.03 1.15 -2.23 0.00 0.00 178.31 177.63 3fee h THR 728 N 0.67 1.26 -0.62 4.41 2.02 -0.71 0.26 112.91 120.19 3fee h THR 728 Ca 0.20 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 3fee h THR 728 Cb -0.04 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3fee h THR 728 CO -0.06 0.37 0.08 0.40 0.37 0.00 0.00 175.52 176.68 3fee h ILE 729 N 0.78 1.26 -0.72 3.11 2.04 -1.12 -0.50 117.51 122.36 3fee h ILE 729 Ca 0.15 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3fee h ILE 729 Cb 0.49 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3fee h ILE 729 CO 0.02 0.39 0.32 -0.61 0.00 0.00 0.00 178.15 178.27 3fee h GLN 730 N 0.95 1.05 -0.53 2.37 5.75 -0.75 -0.23 115.11 123.73 3fee h GLN 730 Ca 0.19 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 3fee h GLN 730 Cb 0.46 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3fee h GLN 730 CO 0.02 0.85 0.15 0.00 -2.65 0.00 0.00 178.83 177.19 3fee h ALA 731 N 1.15 0.70 -0.56 3.38 0.00 -0.23 0.41 119.26 124.11 3fee h ALA 731 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fee h ALA 731 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3fee h ALA 731 CO -0.03 0.38 0.36 0.00 0.00 0.00 0.00 179.25 179.96 3fee h ALA 732 N 1.02 0.72 -0.87 0.00 0.00 -0.83 -1.48 119.26 117.82 3fee h ALA 732 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fee h ALA 732 Cb 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3fee h ALA 732 CO -0.00 0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.90 3fee h ALA 733 N 1.23 1.18 -0.29 0.00 0.00 -0.62 -1.68 119.26 119.08 3fee h ALA 733 Ca 0.22 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3fee h ALA 733 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3fee h ALA 733 CO -0.07 0.33 0.21 0.78 0.00 0.00 0.00 179.25 180.50 3fee h GLY 734 N 1.03 0.07 2.00 0.00 0.00 0.10 -1.30 103.07 104.97 3fee h GLY 734 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3fee h GLY 734 CO -0.15 0.02 0.00 -0.91 0.00 0.00 0.00 176.54 175.49 3fee h THR 735 N 0.06 0.00 0.00 4.70 1.35 -0.67 -2.91 112.91 115.43 3fee h THR 735 Ca 0.14 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3fee h THR 735 Cb 0.47 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3fee h THR 735 CO -0.01 0.00 -0.74 -0.07 -0.25 0.00 0.00 175.52 174.45 3fee h LEU 736 N 0.00 0.00-10.03 3.87 3.38 -1.28 -3.47 115.31 107.78 3fee h LEU 736 Ca 0.00 -0.16 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 3fee h LEU 736 Cb 0.46 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.32 3fee h LEU 736 CO 0.00 0.08 0.57 -0.54 0.09 0.00 0.00 178.44 178.64 3fee s LYS 737 N -3.23 3.34 0.11 1.13 1.02 -1.10 -4.76 119.74 116.25 3fee s LYS 737 Ca 0.04 2.08 -0.11 0.00 0.02 0.00 0.00 55.97 58.00 3fee s LYS 737 Cb 0.12 -2.30 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 3fee s LYS 737 CO 0.75 -0.98 1.33 1.49 -0.92 0.00 0.00 175.35 177.01 3fee h GLU 738 N 1.64 0.74 0.00 1.68 4.81 -1.92 -3.51 114.58 118.02 3fee h GLU 738 Ca -0.50 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.12 3fee h GLU 738 Cb 1.28 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.79 3fee h GLU 738 CO 0.58 1.22 0.00 0.28 -0.73 0.00 0.00 179.01 180.36