#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np0 s LEU 56 N 0.00 4.39 -0.21 0.00 1.43 -1.26 -4.78 118.68 118.24 1np0 s LEU 56 Ca 0.00 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1np0 s LEU 56 Cb 0.00 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1np0 s LEU 56 CO 0.00 0.11 0.43 0.86 0.23 0.00 0.00 176.35 177.98 1np0 s TRP 57 N -0.12 -0.85 0.75 0.29 -0.11 -1.26 -3.99 118.94 113.66 1np0 s TRP 57 Ca 0.28 1.44 -0.14 0.00 1.22 0.00 0.00 56.10 58.90 1np0 s TRP 57 Cb -0.17 0.28 0.05 0.00 -1.50 0.00 0.00 33.47 32.13 1np0 s TRP 57 CO 0.14 -0.54 1.17 -2.14 -4.62 0.00 0.00 176.95 170.96 1np0 s PRO 58 N 2.62 2.11 -0.01 5.86 0.02 -1.26 -4.74 135.00 139.60 1np0 s PRO 58 Ca 0.01 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1np0 s PRO 58 Cb -0.13 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1np0 s PRO 58 CO -0.14 -1.82 1.64 -1.17 -0.33 0.00 0.00 177.00 175.18 1np0 s LEU 59 N -5.40 4.34 0.80 -5.54 2.96 -1.26 -4.97 118.68 109.61 1np0 s LEU 59 Ca 0.70 2.32 -0.13 0.00 -0.22 0.00 0.00 54.13 56.80 1np0 s LEU 59 Cb -0.25 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 42.97 1np0 s LEU 59 CO 0.48 -0.90 1.20 -2.84 -1.32 0.00 0.00 176.35 172.97 1np0 s PRO 60 N 3.46 1.71 0.18 0.98 0.02 -1.26 -4.51 135.00 135.59 1np0 s PRO 60 Ca 0.73 1.74 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 1np0 s PRO 60 Cb -0.35 -1.79 0.17 0.00 0.02 0.00 0.00 34.50 32.55 1np0 s PRO 60 CO 0.31 -2.15 1.68 1.25 -0.33 0.00 0.00 177.00 177.75 1np0 h LEU 61 N -0.83 -0.25 -7.43 -5.54 5.85 -1.86 -3.41 115.31 101.84 1np0 h LEU 61 Ca -0.46 0.12 -0.36 0.00 0.84 0.00 0.00 57.88 58.01 1np0 h LEU 61 Cb 1.29 0.22 -0.37 0.00 0.37 0.00 0.00 40.66 42.17 1np0 h LEU 61 CO 0.47 -0.08 -0.74 -0.55 -0.34 0.00 0.00 178.44 177.19 1np0 s SER 62 N -5.25 0.87 -0.11 1.25 0.15 -0.05 -4.98 113.70 105.59 1np0 s SER 62 Ca -0.14 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.55 1np0 s SER 62 Cb 0.16 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1np0 s SER 62 CO 0.72 -0.19 -0.12 -0.69 1.20 0.00 0.00 173.24 174.16 1np0 s VAL 63 N 1.71 1.32 -0.12 4.45 1.01 -1.26 -1.56 120.40 125.95 1np0 s VAL 63 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1np0 s VAL 63 Cb -0.13 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1np0 s VAL 63 CO -0.03 0.41 -0.05 -0.54 0.00 0.00 0.00 175.10 174.89 1np0 s LYS 64 N 1.27 1.25 0.26 2.72 1.02 -0.43 -5.02 119.74 120.81 1np0 s LYS 64 Ca -0.02 -0.23 0.11 0.00 0.02 0.00 0.00 55.97 55.85 1np0 s LYS 64 Cb -0.14 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1np0 s LYS 64 CO -0.05 -0.33 -0.20 -1.64 -0.92 0.00 0.00 175.35 172.21 1np0 s MET 65 N 1.76 1.61 0.36 1.68 -1.94 -1.26 -0.28 119.30 121.22 1np0 s MET 65 Ca 0.04 -1.71 0.08 0.00 -1.71 0.00 0.00 55.69 52.39 1np0 s MET 65 Cb -0.13 -1.69 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 1np0 s MET 65 CO -0.07 0.32 0.10 0.95 -0.01 0.00 0.00 175.02 176.31 1np0 s THR 66 N -2.45 2.64 -1.56 2.05 -4.23 0.35 -4.97 115.64 107.46 1np0 s THR 66 Ca 0.28 -1.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 1np0 s THR 66 Cb -0.05 -2.92 0.53 0.00 1.34 0.00 0.00 72.50 71.40 1np0 s THR 66 CO 0.13 -0.13 1.91 -2.65 -0.54 0.00 0.00 174.62 173.34 1np0 n PRO 67 N -1.10 0.48 -2.24 3.99 -0.02 -1.26 -4.40 135.00 130.45 1np0 n PRO 67 Ca -0.03 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1np0 n PRO 67 Cb 0.63 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 1np0 n PRO 67 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1np0 s ASN 68 N -2.44 6.43 0.09 2.55 2.47 -1.26 -4.97 114.94 117.81 1np0 s ASN 68 Ca 0.28 1.35 -0.20 0.00 0.42 0.00 0.00 52.86 54.71 1np0 s ASN 68 Cb 0.18 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.37 1np0 s ASN 68 CO 0.38 -1.26 0.60 -0.76 -3.72 0.00 0.00 177.10 172.33 1np0 s LEU 69 N 5.11 4.52 0.13 3.21 1.43 -1.26 -1.43 118.68 130.38 1np0 s LEU 69 Ca 0.66 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.13 1np0 s LEU 69 Cb -0.20 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1np0 s LEU 69 CO 0.28 0.25 -0.18 -0.76 0.23 0.00 0.00 176.35 176.17 1np0 s LEU 70 N -1.19 2.37 0.23 1.79 1.43 0.15 -4.83 118.68 118.63 1np0 s LEU 70 Ca 0.31 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1np0 s LEU 70 Cb -0.20 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1np0 s LEU 70 CO 0.20 -0.02 -0.06 -1.00 0.23 0.00 0.00 176.35 175.70 1np0 s HIS 71 N -1.69 2.64 0.00 0.29 3.76 0.18 -1.14 115.29 119.33 1np0 s HIS 71 Ca 0.10 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1np0 s HIS 71 Cb -0.07 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.39 1np0 s HIS 71 CO 0.05 0.59 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.87 1np0 s LEU 72 N -3.33 2.07 -0.31 0.89 1.02 -1.02 -1.08 118.68 116.91 1np0 s LEU 72 Ca 0.29 -0.32 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 1np0 s LEU 72 Cb -0.07 -0.71 0.03 0.00 0.02 0.00 0.00 46.19 45.46 1np0 s LEU 72 CO 0.18 0.14 0.06 0.00 0.02 0.00 0.00 176.35 176.75 1np0 s ALA 73 N -0.48 2.98 0.24 4.21 0.00 -1.26 -4.50 121.76 122.94 1np0 s ALA 73 Ca 0.05 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 1np0 s ALA 73 Cb -0.06 -2.12 0.36 0.00 0.00 0.00 0.00 23.12 21.30 1np0 s ALA 73 CO -0.00 -1.14 1.62 -1.35 0.00 0.00 0.00 175.76 174.88 1np0 h PRO 74 N 8.17 0.04 -0.44 0.00 0.11 -1.99 -0.20 132.00 137.68 1np0 h PRO 74 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1np0 h PRO 74 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1np0 h PRO 74 CO 0.59 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 1np0 n GLU 75 N -5.43 1.97 -2.77 1.05 1.02 -1.26 -3.66 120.64 111.56 1np0 n GLU 75 Ca 0.12 -1.20 -0.02 0.00 -0.02 0.00 0.00 57.16 56.03 1np0 n GLU 75 Cb 0.42 -1.39 0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1np0 n GLU 75 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1np0 n ASN 76 N 0.39 0.88 -3.69 1.62 5.15 -0.19 -5.05 115.26 114.38 1np0 n ASN 76 Ca 0.11 -2.21 -0.20 0.00 -0.60 0.00 0.00 54.58 51.68 1np0 n ASN 76 Cb 0.36 -0.23 -0.18 0.00 -0.53 0.00 0.00 39.78 39.21 1np0 n ASN 76 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1np0 s PHE 77 N -2.84 0.12 0.11 1.20 5.36 -0.59 -4.54 117.98 116.80 1np0 s PHE 77 Ca 0.24 0.21 0.10 0.00 -0.96 0.00 0.00 56.93 56.51 1np0 s PHE 77 Cb 0.37 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 1np0 s PHE 77 CO -0.04 -0.20 -0.24 0.71 -1.46 0.00 0.00 175.22 173.99 1np0 s TYR 78 N 2.06 2.08 -0.22 10.12 2.02 -1.15 -4.95 117.35 127.31 1np0 s TYR 78 Ca 0.04 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1np0 s TYR 78 Cb -0.12 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1np0 s TYR 78 CO -0.03 0.26 -0.02 0.42 -1.57 0.00 0.00 175.55 174.61 1np0 s ILE 79 N -1.07 3.57 0.21 2.71 1.01 -1.26 -1.90 121.20 124.46 1np0 s ILE 79 Ca 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1np0 s ILE 79 Cb -0.10 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1np0 s ILE 79 CO 0.05 0.41 0.13 -0.94 0.00 0.00 0.00 174.94 174.59 1np0 s SER 80 N 1.48 0.23 0.06 3.58 1.04 -0.86 -4.97 113.70 114.27 1np0 s SER 80 Ca 0.06 -1.40 -0.30 0.00 0.48 0.00 0.00 55.95 54.79 1np0 s SER 80 Cb -0.14 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1np0 s SER 80 CO -0.02 -0.84 1.06 -1.00 0.98 0.00 0.00 173.24 173.42 1np0 s HIS 81 N -4.13 3.61 0.38 5.02 3.76 -1.26 -0.66 115.29 122.02 1np0 s HIS 81 Ca 0.39 1.58 -0.26 0.00 -0.15 0.00 0.00 55.06 56.62 1np0 s HIS 81 Cb 0.07 -3.22 -0.09 0.00 1.11 0.00 0.00 32.58 30.45 1np0 s HIS 81 CO 0.12 -0.44 1.18 -1.54 -0.85 0.00 0.00 174.74 173.21 1np0 s SER 82 N 0.68 6.62 0.54 1.40 1.04 -0.49 -4.76 113.70 118.74 1np0 s SER 82 Ca 0.53 2.38 0.21 0.00 0.48 0.00 0.00 55.95 59.55 1np0 s SER 82 Cb -0.25 -2.62 1.39 0.00 0.10 0.00 0.00 66.02 64.64 1np0 s SER 82 CO 0.30 -0.61 2.10 1.55 0.98 0.00 0.00 173.24 177.56 1np0 h PRO 83 N 2.84 0.00 0.00 4.02 0.13 -1.95 -0.96 132.00 136.07 1np0 h PRO 83 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1np0 h PRO 83 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1np0 h PRO 83 CO 0.63 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.67 1np0 n ASN 84 N -4.36 0.00 -4.74 1.44 0.23 -1.26 -4.94 115.26 101.62 1np0 n ASN 84 Ca 0.02 -0.02 -0.34 0.00 -0.53 0.00 0.00 54.58 53.72 1np0 n ASN 84 Cb 0.30 -0.33 0.07 0.00 -2.08 0.00 0.00 39.78 37.74 1np0 n ASN 84 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1np0 s SER 85 N -2.65 4.60 0.06 0.53 0.15 -0.37 -4.91 113.70 111.10 1np0 s SER 85 Ca 0.26 2.18 0.27 0.00 0.70 0.00 0.00 55.95 59.35 1np0 s SER 85 Cb 0.20 -2.57 0.82 0.00 -1.71 0.00 0.00 66.02 62.76 1np0 s SER 85 CO 0.47 -1.98 1.67 0.35 1.20 0.00 0.00 173.24 174.95 1np0 n THR 86 N -2.62 0.18 -4.08 6.45 -2.24 -0.54 -4.82 114.28 106.61 1np0 n THR 86 Ca 0.12 -0.10 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 1np0 n THR 86 Cb 0.51 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1np0 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1np0 s ALA 87 N -3.05 3.55 0.00 6.98 0.00 -1.26 -4.73 121.76 123.25 1np0 s ALA 87 Ca 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1np0 s ALA 87 Cb 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1np0 s ALA 87 CO 0.62 0.54 0.00 0.41 0.00 0.00 0.00 175.76 177.33 1np0 n GLY 88 N -0.21 3.89 0.45 0.00 0.00 -1.26 -4.87 105.19 103.19 1np0 n GLY 88 Ca -0.08 -1.30 0.27 0.00 0.00 0.00 0.00 46.02 44.91 1np0 n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1np0 h PRO 89 N 0.00 0.01 0.00 1.61 0.11 -2.00 -0.48 132.00 131.24 1np0 h PRO 89 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1np0 h PRO 89 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1np0 h PRO 89 CO 0.00 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 178.56 1np0 h SER 90 N 0.01 0.00 -1.02 -2.05 0.02 -2.01 -3.39 113.55 105.10 1np0 h SER 90 Ca 0.40 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.86 1np0 h SER 90 Cb 1.60 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.06 1np0 h SER 90 CO -0.01 0.00 1.22 0.00 -1.14 0.00 0.00 176.83 176.90 1np0 h THR 92 N 6.94 0.77 -0.05 0.00 2.02 -1.86 -0.68 112.91 120.05 1np0 h THR 92 Ca 0.14 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1np0 h THR 92 Cb 1.01 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1np0 h THR 92 CO 1.35 0.11 -0.04 0.25 0.37 0.00 0.00 175.52 177.56 1np0 h LEU 93 N 0.62 -0.14 -0.53 2.58 6.46 -1.88 0.27 115.31 122.69 1np0 h LEU 93 Ca 0.42 0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 58.07 1np0 h LEU 93 Cb 0.54 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1np0 h LEU 93 CO -0.33 -0.06 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.02 1np0 h LEU 94 N -0.05 0.87 -0.55 2.25 3.38 -1.85 -2.67 115.31 116.69 1np0 h LEU 94 Ca 0.04 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1np0 h LEU 94 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1np0 h LEU 94 CO -0.09 1.12 0.27 -0.33 0.09 0.00 0.00 178.44 179.51 1np0 h GLU 95 N 0.69 0.79 -0.54 1.13 4.39 -0.82 0.18 114.58 120.40 1np0 h GLU 95 Ca 0.07 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 1np0 h GLU 95 Cb 0.90 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1np0 h GLU 95 CO 0.08 0.64 -0.07 0.93 -1.16 0.00 0.00 179.01 179.42 1np0 h GLU 96 N 0.74 0.98 -0.63 2.33 4.39 -0.99 -2.48 114.58 118.92 1np0 h GLU 96 Ca 0.19 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1np0 h GLU 96 Cb 0.10 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1np0 h GLU 96 CO -0.03 1.01 0.16 0.00 -1.16 0.00 0.00 179.01 178.99 1np0 h ALA 97 N 1.02 0.83 -0.38 3.43 0.00 -1.19 -1.35 119.26 121.63 1np0 h ALA 97 Ca 0.15 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1np0 h ALA 97 Cb 0.62 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1np0 h ALA 97 CO 0.04 0.55 0.15 0.74 0.00 0.00 0.00 179.25 180.72 1np0 h PHE 98 N 0.93 0.26 -0.36 0.00 0.04 -0.82 -1.44 116.94 115.55 1np0 h PHE 98 Ca 0.20 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.84 1np0 h PHE 98 Cb 0.35 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1np0 h PHE 98 CO 0.03 0.11 -0.34 -0.09 -0.60 0.00 0.00 178.31 177.42 1np0 h ARG 99 N 0.31 0.87 -0.01 1.51 2.43 -1.18 -2.00 114.38 116.30 1np0 h ARG 99 Ca 0.17 -0.45 -0.18 0.00 -0.81 0.00 0.00 59.98 58.71 1np0 h ARG 99 Cb 0.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1np0 h ARG 99 CO -0.17 1.10 -0.81 0.07 -1.51 0.00 0.00 179.97 178.65 1np0 h ARG 100 N 0.67 0.17 0.00 0.20 0.11 -1.13 -2.92 114.38 111.48 1np0 h ARG 100 Ca 0.06 -0.17 -0.10 0.00 0.10 0.00 0.00 59.98 59.87 1np0 h ARG 100 Cb 0.92 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1np0 h ARG 100 CO 0.09 0.89 -0.50 1.88 0.10 0.00 0.00 179.97 182.43 1np0 h TYR 101 N 0.10 0.00 -0.46 4.08 0.05 -1.26 -1.42 116.97 118.06 1np0 h TYR 101 Ca -0.03 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.76 1np0 h TYR 101 Cb 1.41 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.13 1np0 h TYR 101 CO 0.02 0.50 0.29 1.25 -1.05 0.00 0.00 178.16 179.17 1np0 h HIS 102 N 0.00 0.55 -0.83 4.88 2.76 -1.24 -0.94 115.15 120.33 1np0 h HIS 102 Ca -0.00 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1np0 h HIS 102 Cb 0.98 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.72 1np0 h HIS 102 CO 0.00 0.34 0.38 0.78 -1.30 0.00 0.00 177.93 178.12 1np0 h GLY 103 N 0.60 1.31 1.02 5.26 0.00 -1.28 -2.78 103.07 107.20 1np0 h GLY 103 Ca 0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1np0 h GLY 103 CO -0.06 0.64 -0.08 -0.97 0.00 0.00 0.00 176.54 176.07 1np0 h TYR 104 N 1.20 0.96 -0.71 5.60 0.05 -1.00 0.22 116.97 123.29 1np0 h TYR 104 Ca 0.28 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1np0 h TYR 104 Cb 0.16 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1np0 h TYR 104 CO 0.02 0.94 0.29 0.82 -1.05 0.00 0.00 178.16 179.19 1np0 h ILE 105 N 0.70 1.24 0.00 -2.88 2.04 -1.13 -3.38 117.51 114.11 1np0 h ILE 105 Ca 0.12 -0.74 -0.24 0.00 1.00 0.00 0.00 64.86 65.00 1np0 h ILE 105 Cb 0.62 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1np0 h ILE 105 CO 0.04 0.30 -1.90 0.49 0.00 0.00 0.00 178.15 177.08 1np0 n PHE 106 N -4.30 0.00 0.00 1.37 3.72 -1.05 -4.95 117.46 112.25 1np0 n PHE 106 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1np0 n PHE 106 Cb 0.17 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1np0 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1np0 n GLY 107 N 2.67 0.00 0.00 1.37 0.00 0.79 -5.09 105.19 104.92 1np0 n GLY 107 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1np0 n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1np0 n THR 122 N 0.00 0.00 -3.47 2.61 -1.04 -1.26 -5.12 114.28 106.00 1np0 n THR 122 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1np0 n THR 122 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1np0 n THR 122 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1np0 s GLN 123 N 0.00 4.21 -0.47 -2.82 0.74 -1.26 0.51 119.66 120.56 1np0 s GLN 123 Ca 0.00 0.12 -0.20 0.00 0.05 0.00 0.00 55.36 55.33 1np0 s GLN 123 Cb 0.00 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.66 1np0 s GLN 123 CO 0.00 0.09 0.66 0.08 -0.55 0.00 0.00 175.29 175.57 1np0 s VAL 124 N 0.92 4.80 -0.09 1.34 1.01 -0.24 -4.32 120.40 123.83 1np0 s VAL 124 Ca 0.17 -0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.20 1np0 s VAL 124 Cb -0.14 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1np0 s VAL 124 CO 0.06 -0.72 0.90 1.56 0.00 0.00 0.00 175.10 176.90 1np0 h GLN 125 N 8.96 0.00 -3.21 2.72 1.08 -1.01 -3.42 115.11 120.24 1np0 h GLN 125 Ca -0.26 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.80 1np0 h GLN 125 Cb 1.09 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.30 1np0 h GLN 125 CO 0.94 0.42 -0.39 -0.65 -0.95 0.00 0.00 178.83 178.20 1np0 s GLN 126 N -2.83 0.48 -0.31 1.46 -0.21 -1.12 -2.94 119.66 114.20 1np0 s GLN 126 Ca -0.02 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.28 1np0 s GLN 126 Cb 0.08 0.21 0.05 0.00 1.00 0.00 0.00 33.01 34.36 1np0 s GLN 126 CO 0.81 -0.11 0.01 -1.17 -2.12 0.00 0.00 175.29 172.71 1np0 s LEU 127 N -0.82 3.97 0.04 2.90 2.96 -0.80 -0.13 118.68 126.81 1np0 s LEU 127 Ca -0.09 -1.31 -0.18 0.00 -0.22 0.00 0.00 54.13 52.33 1np0 s LEU 127 Cb -0.05 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1np0 s LEU 127 CO 0.02 -0.27 0.53 -0.76 -1.32 0.00 0.00 176.35 174.55 1np0 s LEU 128 N 1.25 4.50 -0.22 -0.68 1.43 0.72 -2.02 118.68 123.66 1np0 s LEU 128 Ca -0.04 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1np0 s LEU 128 Cb -0.20 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.22 1np0 s LEU 128 CO -0.01 0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 176.03 1np0 s VAL 129 N -0.96 2.56 -0.27 -1.59 1.01 0.17 -0.65 120.40 120.68 1np0 s VAL 129 Ca 0.28 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1np0 s VAL 129 Cb -0.19 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1np0 s VAL 129 CO 0.17 0.33 -0.01 -0.55 0.00 0.00 0.00 175.10 175.04 1np0 s SER 130 N 1.31 4.60 -0.21 3.32 0.15 0.84 -1.39 113.70 122.32 1np0 s SER 130 Ca 0.02 -0.86 -0.15 0.00 0.70 0.00 0.00 55.95 55.66 1np0 s SER 130 Cb -0.15 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 1np0 s SER 130 CO -0.07 -0.16 0.34 -0.63 1.20 0.00 0.00 173.24 173.91 1np0 s ILE 131 N 1.37 5.24 -0.06 6.45 -1.09 -1.26 -1.92 121.20 129.94 1np0 s ILE 131 Ca 0.00 0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 58.85 1np0 s ILE 131 Cb -0.17 -3.67 -0.30 0.00 -1.58 0.00 0.00 42.46 36.73 1np0 s ILE 131 CO -0.02 0.29 0.72 0.74 -1.23 0.00 0.00 174.94 175.44 1np0 h THR 132 N 4.99 1.13 -0.91 2.92 2.02 -1.46 -1.42 112.91 120.18 1np0 h THR 132 Ca -0.37 -2.51 -0.56 0.00 0.77 0.00 0.00 66.41 63.75 1np0 h THR 132 Cb 1.16 2.87 -0.05 0.00 -1.74 0.00 0.00 68.15 70.40 1np0 h THR 132 CO 0.71 0.77 -0.33 -0.76 0.37 0.00 0.00 175.52 176.28 1np0 s LEU 133 N -7.55 2.93 -0.41 2.58 1.43 -0.84 -4.83 118.68 112.00 1np0 s LEU 133 Ca -0.16 -1.09 -0.45 0.00 -1.03 0.00 0.00 54.13 51.40 1np0 s LEU 133 Cb 0.04 -1.44 -0.19 0.00 0.03 0.00 0.00 46.19 44.63 1np0 s LEU 133 CO 0.83 -0.95 1.47 0.00 0.23 0.00 0.00 176.35 177.94 1np0 n GLN 134 N -1.68 0.00 -0.03 1.70 6.02 -1.26 -4.73 117.38 117.41 1np0 n GLN 134 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1np0 n GLN 134 Cb 0.64 -1.46 0.34 0.00 1.02 0.00 0.00 30.24 30.78 1np0 n GLN 134 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1np0 h SER 135 N 4.54 0.53 -1.44 1.08 4.64 -1.86 -3.45 113.55 117.59 1np0 h SER 135 Ca -0.44 -0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 60.56 1np0 h SER 135 Cb 1.34 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1np0 h SER 135 CO 0.90 0.48 -0.30 -0.62 -0.87 0.00 0.00 176.83 176.42 1np0 n GLU 136 N -4.38 -1.00 -0.32 4.77 1.02 -1.26 -1.72 120.64 117.74 1np0 n GLU 136 Ca 0.03 0.75 0.01 0.00 -0.02 0.00 0.00 57.16 57.93 1np0 n GLU 136 Cb 0.14 -4.92 0.14 0.00 -0.02 0.00 0.00 31.44 26.79 1np0 n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1np0 n ASP 138 N -4.59 2.79 -4.99 0.00 8.00 -1.26 -4.69 116.55 111.81 1np0 n ASP 138 Ca 0.13 -1.91 -0.19 0.00 0.71 0.00 0.00 54.79 53.53 1np0 n ASP 138 Cb 0.17 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1np0 n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1np0 s ALA 139 N -1.53 4.27 0.08 2.24 0.00 -0.85 -5.10 121.76 120.87 1np0 s ALA 139 Ca 0.36 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 1np0 s ALA 139 Cb 0.20 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 1np0 s ALA 139 CO 0.28 -0.26 0.44 -0.06 0.00 0.00 0.00 175.76 176.16 1np0 s PHE 140 N -2.36 3.61 0.70 0.00 0.08 -1.26 -5.05 117.98 113.70 1np0 s PHE 140 Ca 0.51 0.89 -0.12 0.00 0.12 0.00 0.00 56.93 58.33 1np0 s PHE 140 Cb -0.10 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1np0 s PHE 140 CO 0.33 0.52 1.08 -1.25 -0.10 0.00 0.00 175.22 175.80 1np0 s PRO 141 N -1.79 2.74 0.32 0.24 0.04 -1.26 -5.06 135.00 130.23 1np0 s PRO 141 Ca 0.33 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.57 1np0 s PRO 141 Cb -0.15 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1np0 s PRO 141 CO 0.18 -1.27 0.32 0.27 0.04 0.00 0.00 177.00 176.54 1np0 n ASN 142 N -2.94 -0.84 -0.36 6.66 0.23 -1.26 -4.83 115.26 111.93 1np0 n ASN 142 Ca 0.09 -3.02 0.07 0.00 -0.53 0.00 0.00 54.58 51.19 1np0 n ASN 142 Cb 0.53 1.81 0.23 0.00 -2.08 0.00 0.00 39.78 40.27 1np0 n ASN 142 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1np0 h ILE 143 N 2.01 0.93 -0.31 1.53 6.09 -1.97 -1.80 117.51 123.99 1np0 h ILE 143 Ca -0.23 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1np0 h ILE 143 Cb 1.14 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1np0 h ILE 143 CO 0.33 0.18 0.00 -1.54 -3.07 0.00 0.00 178.15 174.05 1np0 n SER 144 N -4.62 1.95 -4.66 2.19 3.41 -1.26 -4.81 113.62 105.83 1np0 n SER 144 Ca 0.19 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 1np0 n SER 144 Cb 0.34 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1np0 n SER 144 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1np0 n SER 145 N 0.54 2.27 -4.57 4.04 7.64 -0.68 -4.90 113.62 117.95 1np0 n SER 145 Ca 0.14 1.20 -0.42 0.00 1.01 0.00 0.00 58.87 60.79 1np0 n SER 145 Cb 0.33 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.07 1np0 n SER 145 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1np0 s ASP 146 N -0.36 6.52 -0.06 6.43 -1.08 -1.26 -4.90 116.67 121.95 1np0 s ASP 146 Ca 0.57 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.99 1np0 s ASP 146 Cb -0.62 -2.40 0.51 0.00 -1.46 0.00 0.00 42.92 38.96 1np0 s ASP 146 CO 0.61 -0.80 1.43 -0.62 0.52 0.00 0.00 175.17 176.31 1np0 n GLU 147 N 6.56 3.09 -2.09 4.34 1.02 -1.26 -3.16 120.64 129.13 1np0 n GLU 147 Ca 0.03 -2.51 -0.33 0.00 -0.02 0.00 0.00 57.16 54.34 1np0 n GLU 147 Cb 0.48 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 1np0 n GLU 147 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1np0 s SER 148 N -1.12 5.77 0.14 1.62 1.04 -1.26 -4.23 113.70 115.66 1np0 s SER 148 Ca 0.38 1.88 -0.24 0.00 0.48 0.00 0.00 55.95 58.45 1np0 s SER 148 Cb 0.23 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.88 1np0 s SER 148 CO 0.20 -1.18 0.73 -0.72 0.98 0.00 0.00 173.24 173.25 1np0 s TYR 149 N -2.32 -0.38 0.08 5.02 1.13 -0.80 -4.06 117.35 116.02 1np0 s TYR 149 Ca 0.65 0.13 0.07 0.00 -1.41 0.00 0.00 57.07 56.52 1np0 s TYR 149 Cb -0.17 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1np0 s TYR 149 CO 0.34 -0.85 -0.19 0.95 -2.51 0.00 0.00 175.55 173.29 1np0 s THR 150 N -3.59 1.56 -0.13 -3.49 -4.23 0.21 -2.00 115.64 103.96 1np0 s THR 150 Ca 0.05 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1np0 s THR 150 Cb -0.02 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1np0 s THR 150 CO -0.07 -0.02 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.71 1np0 s LEU 151 N -1.65 1.33 -0.35 4.79 2.96 0.03 -0.94 118.68 124.86 1np0 s LEU 151 Ca 0.05 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1np0 s LEU 151 Cb -0.10 -0.85 0.05 0.00 0.50 0.00 0.00 46.19 45.79 1np0 s LEU 151 CO 0.03 -0.15 0.12 -0.76 -1.32 0.00 0.00 176.35 174.26 1np0 s LEU 152 N 1.69 4.42 -0.37 -0.68 1.43 0.79 -0.71 118.68 125.25 1np0 s LEU 152 Ca 0.03 -1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 51.72 1np0 s LEU 152 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1np0 s LEU 152 CO -0.08 -0.35 0.40 -0.69 0.23 0.00 0.00 176.35 175.86 1np0 s VAL 153 N 1.37 5.13 0.26 -1.59 1.01 0.39 -0.64 120.40 126.34 1np0 s VAL 153 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1np0 s VAL 153 Cb -0.20 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1np0 s VAL 153 CO 0.02 -0.22 0.59 -1.59 0.00 0.00 0.00 175.10 173.90 1np0 s LYS 154 N 2.08 1.65 0.05 2.72 -2.85 -1.26 -2.10 119.74 120.02 1np0 s LYS 154 Ca 0.12 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 53.99 1np0 s LYS 154 Cb -0.17 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1np0 s LYS 154 CO 0.12 -0.72 0.12 -2.00 0.10 0.00 0.00 175.35 172.97 1np0 s GLU 155 N -3.96 3.09 0.00 1.78 2.12 -1.26 -3.09 118.70 117.38 1np0 s GLU 155 Ca 0.16 -0.55 0.28 0.00 0.36 0.00 0.00 54.97 55.22 1np0 s GLU 155 Cb -0.03 -2.86 1.00 0.00 0.26 0.00 0.00 34.13 32.50 1np0 s GLU 155 CO 0.07 0.61 1.73 -0.35 -0.54 0.00 0.00 175.26 176.78 1np0 n PRO 156 N 0.66 0.34 -4.03 4.30 -0.04 -1.26 -4.97 135.00 130.00 1np0 n PRO 156 Ca -0.09 -0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 62.93 1np0 n PRO 156 Cb 0.52 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1np0 n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1np0 s VAL 157 N -2.75 1.69 0.46 0.52 1.01 -1.22 -0.38 120.40 119.73 1np0 s VAL 157 Ca 0.20 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1np0 s VAL 157 Cb 0.19 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1np0 s VAL 157 CO 0.55 0.38 0.86 0.00 0.00 0.00 0.00 175.10 176.89 1np0 s ALA 158 N 1.42 3.24 -0.06 5.51 0.00 0.81 -4.45 121.76 128.24 1np0 s ALA 158 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1np0 s ALA 158 Cb -0.14 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1np0 s ALA 158 CO -0.10 -0.16 -0.07 0.08 0.00 0.00 0.00 175.76 175.50 1np0 s VAL 159 N -2.54 0.76 -0.21 0.00 1.01 0.19 -0.20 120.40 119.40 1np0 s VAL 159 Ca 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1np0 s VAL 159 Cb -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1np0 s VAL 159 CO 0.34 0.28 -0.06 -0.22 0.00 0.00 0.00 175.10 175.44 1np0 s LEU 160 N 0.90 2.82 -0.05 3.92 2.96 0.18 -0.14 118.68 129.27 1np0 s LEU 160 Ca -0.11 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1np0 s LEU 160 Cb -0.15 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1np0 s LEU 160 CO 0.01 -0.00 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.06 1np0 s LYS 161 N 1.36 2.31 -0.07 1.98 2.20 -0.11 -0.11 119.74 127.30 1np0 s LYS 161 Ca 0.04 -0.82 -0.19 0.00 -0.36 0.00 0.00 55.97 54.64 1np0 s LYS 161 Cb -0.14 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.24 1np0 s LYS 161 CO -0.03 0.35 0.45 0.00 -0.36 0.00 0.00 175.35 175.76 1np0 s ALA 162 N -0.13 -1.15 0.24 3.13 0.00 -0.81 -0.62 121.76 122.42 1np0 s ALA 162 Ca -0.03 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 1np0 s ALA 162 Cb -0.13 -0.19 0.34 0.00 0.00 0.00 0.00 23.12 23.14 1np0 s ALA 162 CO 0.03 -0.28 1.84 -0.91 0.00 0.00 0.00 175.76 176.45 1np0 h ASN 163 N 4.08 0.80 -4.70 0.00 2.35 -1.87 -2.16 115.58 114.08 1np0 h ASN 163 Ca -0.28 0.02 -0.39 0.00 -0.55 0.00 0.00 56.30 55.10 1np0 h ASN 163 Cb 1.17 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 39.25 1np0 h ASN 163 CO 0.34 0.51 -0.57 -0.13 -1.65 0.00 0.00 177.43 175.93 1np0 s ARG 164 N -6.06 1.54 0.30 0.81 1.81 -1.26 -1.99 118.95 114.09 1np0 s ARG 164 Ca -0.13 -1.87 0.05 0.00 -1.72 0.00 0.00 55.73 52.07 1np0 s ARG 164 Cb 0.18 -0.13 0.76 0.00 -0.45 0.00 0.00 34.95 35.31 1np0 s ARG 164 CO 0.79 -0.41 1.72 0.28 -0.68 0.00 0.00 175.30 177.00 1np0 h VAL 165 N 2.27 0.55 -0.62 3.52 2.07 -1.65 -2.79 116.25 119.59 1np0 h VAL 165 Ca -0.35 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1np0 h VAL 165 Cb 1.25 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1np0 h VAL 165 CO 0.54 0.09 0.38 -0.50 0.02 0.00 0.00 177.57 178.11 1np0 h TRP 166 N 0.52 0.72 -0.17 1.57 4.06 -1.83 -0.94 115.95 119.87 1np0 h TRP 166 Ca 0.58 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 61.42 1np0 h TRP 166 Cb 1.05 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 1np0 h TRP 166 CO -0.08 0.42 -0.43 0.78 -3.56 0.00 0.00 178.44 175.57 1np0 h GLY 167 N 0.76 0.44 1.35 1.49 0.00 -1.45 -2.80 103.07 102.86 1np0 h GLY 167 Ca 0.24 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1np0 h GLY 167 CO -0.09 0.40 -0.08 0.00 0.00 0.00 0.00 176.54 176.77 1np0 h ALA 168 N 1.21 1.03 -0.51 3.60 0.00 -1.12 -1.06 119.26 122.41 1np0 h ALA 168 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1np0 h ALA 168 Cb 0.90 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1np0 h ALA 168 CO 0.08 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 180.06 1np0 h LEU 169 N 0.71 0.69 -0.52 0.00 3.38 -1.01 0.32 115.31 118.89 1np0 h LEU 169 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1np0 h LEU 169 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1np0 h LEU 169 CO 0.03 0.66 0.21 0.03 0.09 0.00 0.00 178.44 179.46 1np0 h ARG 170 N 0.68 0.77 -0.31 1.13 2.47 -1.32 -2.79 114.38 115.02 1np0 h ARG 170 Ca 0.17 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1np0 h ARG 170 Cb 0.17 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1np0 h ARG 170 CO -0.02 0.68 0.03 0.78 0.56 0.00 0.00 179.97 182.00 1np0 h GLY 171 N 0.70 0.49 1.01 0.04 0.00 -0.79 -2.37 103.07 102.14 1np0 h GLY 171 Ca 0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1np0 h GLY 171 CO -0.02 0.25 0.20 1.41 0.00 0.00 0.00 176.54 178.38 1np0 h LEU 172 N 0.45 0.89 -0.25 3.11 3.38 -0.71 -1.32 115.31 120.86 1np0 h LEU 172 Ca 0.10 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1np0 h LEU 172 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1np0 h LEU 172 CO 0.00 0.86 0.09 -0.08 0.09 0.00 0.00 178.44 179.40 1np0 h GLU 173 N 0.87 0.21 -0.50 1.13 4.57 -1.19 -2.04 114.58 117.63 1np0 h GLU 173 Ca 0.20 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1np0 h GLU 173 Cb 0.28 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1np0 h GLU 173 CO -0.01 0.14 0.26 1.15 -1.18 0.00 0.00 179.01 179.37 1np0 h THR 174 N 0.21 1.18 -0.51 0.32 2.02 -1.31 -2.36 112.91 112.47 1np0 h THR 174 Ca 0.11 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.87 1np0 h THR 174 Cb 0.07 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 1np0 h THR 174 CO -0.10 0.20 0.12 0.15 0.37 0.00 0.00 175.52 176.26 1np0 h PHE 175 N 0.66 0.21 0.00 3.16 3.57 -1.08 -1.78 116.94 121.68 1np0 h PHE 175 Ca 0.17 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1np0 h PHE 175 Cb 0.09 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1np0 h PHE 175 CO -0.01 0.02 -0.10 0.66 -2.23 0.00 0.00 178.31 176.64 1np0 h SER 176 N 0.27 0.00 1.41 0.41 4.64 -0.98 -1.51 113.55 117.80 1np0 h SER 176 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1np0 h SER 176 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1np0 h SER 176 CO -0.31 0.10 0.00 1.56 -0.87 0.00 0.00 176.83 177.31 1np0 h GLN 177 N 0.00 0.00 0.00 4.77 4.20 -0.83 -3.20 115.11 120.05 1np0 h GLN 177 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1np0 h GLN 177 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1np0 h GLN 177 CO 0.01 0.00 -1.13 -0.07 -0.67 0.00 0.00 178.83 176.97 1np0 h LEU 178 N 0.00 0.00 -9.53 1.46 3.38 -0.81 -3.42 115.31 106.40 1np0 h LEU 178 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1np0 h LEU 178 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1np0 h LEU 178 CO 0.00 0.54 0.32 -0.69 0.09 0.00 0.00 178.44 178.70 1np0 s VAL 179 N -2.95 4.63 0.13 1.22 1.01 -1.13 -4.59 120.40 118.73 1np0 s VAL 179 Ca -0.01 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 63.91 1np0 s VAL 179 Cb 0.08 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1np0 s VAL 179 CO 0.79 0.29 0.12 -0.72 0.00 0.00 0.00 175.10 175.59 1np0 s TYR 180 N 0.21 0.67 -0.16 5.22 1.13 -0.42 -4.97 117.35 119.04 1np0 s TYR 180 Ca 0.46 -1.06 -0.06 0.00 -1.41 0.00 0.00 57.07 55.00 1np0 s TYR 180 Cb -0.22 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.27 1np0 s TYR 180 CO 0.28 -0.57 0.04 -0.65 -2.51 0.00 0.00 175.55 172.14 1np0 s GLN 181 N -4.01 3.72 0.57 -3.49 -0.21 -1.26 0.24 119.66 115.23 1np0 s GLN 181 Ca 0.20 -0.37 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 1np0 s GLN 181 Cb 0.06 -3.09 0.14 0.00 1.00 0.00 0.00 33.01 31.12 1np0 s GLN 181 CO 0.00 0.38 0.67 -0.40 -2.12 0.00 0.00 175.29 173.81 1np0 n ASP 182 N 3.18 -0.57 0.30 5.90 5.68 -0.52 -4.84 116.55 125.69 1np0 n ASP 182 Ca -0.17 -1.11 0.17 0.00 -0.50 0.00 0.00 54.79 53.18 1np0 n ASP 182 Cb 0.53 -0.54 0.99 0.00 -1.14 0.00 0.00 41.12 40.95 1np0 n ASP 182 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1np0 h SER 183 N -1.31 0.00 -0.73 -1.12 0.02 -1.99 -1.59 113.55 106.83 1np0 h SER 183 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1np0 h SER 183 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1np0 h SER 183 CO 0.16 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.63 1np0 n TYR 184 N -3.64 1.11 -0.65 3.45 4.01 -1.26 -4.94 117.16 115.23 1np0 n TYR 184 Ca -0.03 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 1np0 n TYR 184 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1np0 n TYR 184 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1np0 n GLY 185 N 1.57 0.80 3.67 2.72 0.00 -0.60 -5.04 105.19 108.31 1np0 n GLY 185 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1np0 n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1np0 s THR 186 N -3.09 3.96 -0.04 2.61 2.01 -1.26 -4.67 115.64 115.17 1np0 s THR 186 Ca 0.00 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 1np0 s THR 186 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1np0 s THR 186 CO 0.00 -0.07 1.61 -0.36 -0.69 0.00 0.00 174.62 175.11 1np0 s PHE 187 N 3.24 2.14 0.10 4.92 0.08 -1.26 -1.43 117.98 125.77 1np0 s PHE 187 Ca 0.62 0.30 0.04 0.00 0.12 0.00 0.00 56.93 58.01 1np0 s PHE 187 Cb -0.27 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.26 1np0 s PHE 187 CO 0.22 -3.64 -0.11 0.99 -0.10 0.00 0.00 175.22 172.58 1np0 s THR 188 N 3.71 1.03 -0.13 0.64 2.01 0.14 -2.45 115.64 120.59 1np0 s THR 188 Ca 0.72 -1.64 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 1np0 s THR 188 Cb -0.33 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 70.85 1np0 s THR 188 CO 0.29 -0.51 0.50 -0.51 -0.69 0.00 0.00 174.62 173.70 1np0 s ILE 189 N -2.32 0.01 0.21 1.82 2.07 -0.30 -1.30 121.20 121.40 1np0 s ILE 189 Ca 0.06 -0.10 -0.24 0.00 -1.41 0.00 0.00 60.65 58.96 1np0 s ILE 189 Cb -0.04 -0.75 -0.08 0.00 0.13 0.00 0.00 42.46 41.72 1np0 s ILE 189 CO 0.01 -0.06 0.79 0.20 -1.91 0.00 0.00 174.94 173.97 1np0 s ASN 190 N -0.33 7.28 0.23 4.50 -0.87 -1.26 -0.67 114.94 123.81 1np0 s ASN 190 Ca -0.05 1.61 -0.32 0.00 -1.57 0.00 0.00 52.86 52.53 1np0 s ASN 190 Cb -0.03 -2.49 -0.12 0.00 -0.02 0.00 0.00 41.25 38.59 1np0 s ASN 190 CO 0.03 0.11 1.70 -1.61 -2.57 0.00 0.00 177.10 174.76 1np0 s GLU 191 N -1.57 4.12 0.18 -0.60 2.02 -0.51 -4.87 118.70 117.46 1np0 s GLU 191 Ca 0.40 2.62 -0.24 0.00 0.02 0.00 0.00 54.97 57.77 1np0 s GLU 191 Cb -0.20 -3.06 0.05 0.00 0.10 0.00 0.00 34.13 31.02 1np0 s GLU 191 CO 0.24 -0.74 0.82 -1.54 0.02 0.00 0.00 175.26 174.07 1np0 s SER 192 N 1.03 -0.28 -0.04 -0.19 1.04 -0.89 -0.50 113.70 113.87 1np0 s SER 192 Ca 0.72 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1np0 s SER 192 Cb -0.50 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1np0 s SER 192 CO 0.36 -1.04 -0.03 -0.89 0.98 0.00 0.00 173.24 172.63 1np0 s THR 193 N -3.55 0.38 -0.04 2.02 2.01 0.61 -0.46 115.64 116.61 1np0 s THR 193 Ca 0.10 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1np0 s THR 193 Cb -0.03 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1np0 s THR 193 CO 0.01 0.19 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.36 1np0 s ILE 194 N 0.98 1.18 -0.09 1.82 1.01 0.11 -1.32 121.20 124.89 1np0 s ILE 194 Ca -0.10 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1np0 s ILE 194 Cb -0.14 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.29 1np0 s ILE 194 CO -0.01 0.35 -0.23 -0.63 0.00 0.00 0.00 174.94 174.43 1np0 s ILE 195 N 0.25 2.18 -0.09 2.92 1.01 -0.60 -0.79 121.20 126.09 1np0 s ILE 195 Ca -0.07 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1np0 s ILE 195 Cb -0.12 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1np0 s ILE 195 CO 0.02 0.56 0.44 -0.62 0.00 0.00 0.00 174.94 175.34 1np0 s ASP 196 N 0.19 -0.39 -0.08 3.58 2.15 -0.85 -0.87 116.67 120.40 1np0 s ASP 196 Ca -0.14 0.55 -0.30 0.00 0.43 0.00 0.00 52.55 53.10 1np0 s ASP 196 Cb -0.17 0.62 0.10 0.00 -0.30 0.00 0.00 42.92 43.18 1np0 s ASP 196 CO 0.07 -0.35 0.86 -0.94 -0.17 0.00 0.00 175.17 174.64 1np0 s SER 197 N -0.62 -0.47 0.40 -0.34 1.04 -1.26 -1.90 113.70 110.55 1np0 s SER 197 Ca -0.07 0.42 -0.23 0.00 0.48 0.00 0.00 55.95 56.55 1np0 s SER 197 Cb -0.03 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 1np0 s SER 197 CO 0.04 -0.51 1.01 -2.16 0.98 0.00 0.00 173.24 172.60 1np0 s PRO 198 N -1.58 4.20 0.12 4.02 0.04 -1.26 -4.77 135.00 135.76 1np0 s PRO 198 Ca -0.04 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 1np0 s PRO 198 Cb -0.00 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1np0 s PRO 198 CO 0.02 -0.09 1.51 -0.09 0.04 0.00 0.00 177.00 178.39 1np0 h ARG 199 N 2.36 0.74 -5.87 4.56 2.43 -0.68 -3.45 114.38 114.46 1np0 h ARG 199 Ca -0.48 -0.30 -0.51 0.00 -0.81 0.00 0.00 59.98 57.88 1np0 h ARG 199 Cb 1.20 -0.03 -0.22 0.00 -0.42 0.00 0.00 29.97 30.50 1np0 h ARG 199 CO 0.62 0.90 -0.81 -0.06 -1.51 0.00 0.00 179.97 179.11 1np0 s PHE 200 N -4.72 1.59 -0.14 2.20 0.08 -0.93 -5.05 117.98 111.01 1np0 s PHE 200 Ca -0.13 -0.43 0.21 0.00 0.12 0.00 0.00 56.93 56.71 1np0 s PHE 200 Cb 0.10 -0.88 -0.16 0.00 -0.57 0.00 0.00 43.02 41.50 1np0 s PHE 200 CO 0.82 0.15 0.73 -1.13 -0.10 0.00 0.00 175.22 175.68 1np0 n SER 201 N 1.22 0.49 -4.38 1.36 3.41 -1.15 -4.70 113.62 109.87 1np0 n SER 201 Ca -0.20 0.20 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1np0 n SER 201 Cb 0.54 0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 65.41 1np0 n SER 201 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1np0 s HIS 202 N -3.27 3.20 -0.39 7.33 5.65 -0.76 -4.92 115.29 122.12 1np0 s HIS 202 Ca -0.04 -0.92 0.02 0.00 0.25 0.00 0.00 55.06 54.37 1np0 s HIS 202 Cb 0.11 -3.39 0.11 0.00 -1.18 0.00 0.00 32.58 28.23 1np0 s HIS 202 CO 0.84 -0.91 0.15 1.03 -0.65 0.00 0.00 174.74 175.20 1np0 s ARG 203 N 1.88 1.29 0.22 2.88 0.52 -1.26 -1.10 118.95 123.39 1np0 s ARG 203 Ca 0.06 -1.80 0.08 0.00 -0.52 0.00 0.00 55.73 53.55 1np0 s ARG 203 Cb -0.24 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1np0 s ARG 203 CO 0.07 -1.04 0.06 0.20 0.02 0.00 0.00 175.30 174.61 1np0 s GLY 204 N 0.76 1.62 -0.10 -3.53 0.00 0.21 -0.95 107.32 105.34 1np0 s GLY 204 Ca 0.13 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1np0 s GLY 204 CO -0.09 -1.50 -0.17 -0.42 0.00 0.00 0.00 173.10 170.91 1np0 s ILE 205 N -2.04 1.58 -0.17 0.90 -1.09 -0.11 -0.90 121.20 119.38 1np0 s ILE 205 Ca 0.30 -0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 1np0 s ILE 205 Cb -0.08 -1.42 -0.05 0.00 -1.58 0.00 0.00 42.46 39.33 1np0 s ILE 205 CO 0.21 0.46 0.24 -0.22 -1.23 0.00 0.00 174.94 174.40 1np0 s LEU 206 N 0.76 4.23 0.18 2.97 0.20 -0.32 -0.38 118.68 126.32 1np0 s LEU 206 Ca -0.11 0.42 0.11 0.00 0.69 0.00 0.00 54.13 55.24 1np0 s LEU 206 Cb -0.16 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1np0 s LEU 206 CO 0.02 0.12 -0.24 0.27 -0.29 0.00 0.00 176.35 176.23 1np0 s ILE 207 N 0.44 2.29 -0.22 6.68 -5.25 -0.68 -1.38 121.20 123.08 1np0 s ILE 207 Ca 0.14 -1.95 -0.00 0.00 -0.99 0.00 0.00 60.65 57.85 1np0 s ILE 207 Cb -0.12 -2.07 0.06 0.00 2.95 0.00 0.00 42.46 43.28 1np0 s ILE 207 CO 0.02 -0.08 -0.04 -0.62 -1.79 0.00 0.00 174.94 172.43 1np0 s ASP 208 N -2.51 3.57 -0.22 4.36 2.15 -1.25 -0.95 116.67 121.82 1np0 s ASP 208 Ca 0.19 -1.06 0.15 0.00 0.43 0.00 0.00 52.55 52.26 1np0 s ASP 208 Cb -0.08 -1.05 0.62 0.00 -0.30 0.00 0.00 42.92 42.11 1np0 s ASP 208 CO 0.09 -0.24 1.54 0.35 -0.17 0.00 0.00 175.17 176.74 1np0 n THR 209 N 4.76 2.50 -0.10 1.71 -2.24 -0.92 -4.40 114.28 115.59 1np0 n THR 209 Ca -0.11 -1.83 -0.18 0.00 -2.27 0.00 0.00 64.05 59.66 1np0 n THR 209 Cb 0.45 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1np0 n THR 209 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1np0 n SER 210 N -0.29 1.97 -0.07 3.42 2.88 -1.25 -4.02 113.62 116.26 1np0 n SER 210 Ca 0.26 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1np0 n SER 210 Cb 1.03 -0.46 0.29 0.00 -0.75 0.00 0.00 64.21 64.32 1np0 n SER 210 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1np0 h ARG 211 N -0.38 0.69 -3.28 -1.46 -0.00 -1.84 -3.33 114.38 104.79 1np0 h ARG 211 Ca -0.48 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.98 58.73 1np0 h ARG 211 Cb 1.57 -0.13 -0.25 0.00 0.00 0.00 0.00 29.97 31.16 1np0 h ARG 211 CO -0.20 0.58 -0.47 -1.01 0.00 0.00 0.00 179.97 178.87 1np0 s HIS 212 N -5.30 -0.17 0.24 3.04 3.76 -1.26 -4.84 115.29 110.75 1np0 s HIS 212 Ca -0.09 0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.94 1np0 s HIS 212 Cb 0.16 0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.82 1np0 s HIS 212 CO 0.77 -0.15 1.22 -0.47 -0.85 0.00 0.00 174.74 175.26 1np0 s TYR 213 N -0.21 3.36 -0.19 1.40 5.04 -1.26 -4.09 117.35 121.40 1np0 s TYR 213 Ca -0.03 1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 56.00 1np0 s TYR 213 Cb -0.03 -3.48 -0.02 0.00 0.35 0.00 0.00 41.96 38.78 1np0 s TYR 213 CO 0.01 -1.33 -0.04 -0.51 -1.34 0.00 0.00 175.55 172.34 1np0 s LEU 214 N -0.76 3.03 0.59 6.97 1.43 -1.26 -4.66 118.68 124.01 1np0 s LEU 214 Ca 0.51 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1np0 s LEU 214 Cb -0.35 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1np0 s LEU 214 CO 0.41 0.07 1.34 -2.65 0.23 0.00 0.00 176.35 175.75 1np0 n PRO 215 N 4.19 1.49 -0.30 1.29 -0.02 -1.26 -4.85 135.00 135.53 1np0 n PRO 215 Ca -0.18 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1np0 n PRO 215 Cb 0.52 -2.57 0.30 0.00 -0.02 0.00 0.00 33.50 31.72 1np0 n PRO 215 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1np0 h VAL 216 N 1.10 0.51 -0.74 -1.45 2.07 -1.99 -1.54 116.25 114.21 1np0 h VAL 216 Ca -0.51 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 66.97 1np0 h VAL 216 Cb 1.32 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 1np0 h VAL 216 CO 0.56 0.08 0.37 0.11 0.02 0.00 0.00 177.57 178.70 1np0 h LYS 217 N 0.43 0.59 0.00 1.57 1.57 -1.99 -0.38 116.57 118.35 1np0 h LYS 217 Ca 0.55 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 1np0 h LYS 217 Cb 1.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1np0 h LYS 217 CO -0.51 0.39 -0.05 0.97 -0.57 0.00 0.00 179.45 179.69 1np0 h ILE 218 N 0.60 0.10 -0.13 1.86 2.10 -1.64 -0.80 117.51 119.60 1np0 h ILE 218 Ca 0.38 -0.76 -0.21 0.00 1.08 0.00 0.00 64.86 65.35 1np0 h ILE 218 Cb 0.43 1.69 0.01 0.00 -1.09 0.00 0.00 36.82 37.86 1np0 h ILE 218 CO -0.29 0.04 -0.72 0.40 -1.08 0.00 0.00 178.15 176.50 1np0 h ILE 219 N 0.00 1.30 -0.67 2.19 2.04 -0.97 -2.30 117.51 119.09 1np0 h ILE 219 Ca -0.00 -1.95 -0.06 0.00 1.00 0.00 0.00 64.86 63.85 1np0 h ILE 219 Cb 0.68 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1np0 h ILE 219 CO 0.01 0.61 0.18 -0.07 0.00 0.00 0.00 178.15 178.88 1np0 h LEU 220 N 0.42 1.00 -0.78 1.44 3.38 -0.74 -1.71 115.31 118.33 1np0 h LEU 220 Ca -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1np0 h LEU 220 Cb 1.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1np0 h LEU 220 CO 0.15 0.96 0.44 0.11 0.09 0.00 0.00 178.44 180.19 1np0 h LYS 221 N 0.99 1.07 -0.73 1.13 1.57 -1.19 -1.66 116.57 117.75 1np0 h LYS 221 Ca 0.21 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1np0 h LYS 221 Cb 0.33 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1np0 h LYS 221 CO -0.00 0.78 0.44 1.15 -0.57 0.00 0.00 179.45 181.25 1np0 h THR 222 N 1.07 1.20 -0.57 -0.16 2.02 -1.06 -1.05 112.91 114.36 1np0 h THR 222 Ca 0.28 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1np0 h THR 222 Cb 0.01 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1np0 h THR 222 CO -0.05 0.21 -0.05 -0.07 0.37 0.00 0.00 175.52 175.93 1np0 h LEU 223 N 1.01 1.02 -0.34 2.58 3.38 -0.70 0.33 115.31 122.58 1np0 h LEU 223 Ca 0.26 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1np0 h LEU 223 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1np0 h LEU 223 CO -0.05 1.10 0.21 0.44 0.09 0.00 0.00 178.44 180.22 1np0 h ASP 224 N 0.93 0.35 -0.26 -0.43 3.32 -0.76 -1.20 116.42 118.36 1np0 h ASP 224 Ca 0.16 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1np0 h ASP 224 Cb 0.61 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1np0 h ASP 224 CO 0.04 0.25 -0.02 0.00 -1.72 0.00 0.00 179.24 177.80 1np0 h ALA 225 N 1.14 1.29 -0.70 3.45 0.00 -0.98 -2.03 119.26 121.44 1np0 h ALA 225 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1np0 h ALA 225 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1np0 h ALA 225 CO -0.05 0.48 0.28 0.52 0.00 0.00 0.00 179.25 180.48 1np0 h MET 226 N 0.55 1.05 -0.46 0.00 2.86 -0.54 -2.45 114.93 115.94 1np0 h MET 226 Ca 0.11 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1np0 h MET 226 Cb 0.38 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1np0 h MET 226 CO 0.01 0.86 0.16 0.00 1.06 0.00 0.00 176.91 179.01 1np0 h ALA 227 N 1.13 0.60 0.00 6.32 0.00 -0.86 0.12 119.26 126.57 1np0 h ALA 227 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1np0 h ALA 227 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1np0 h ALA 227 CO -0.02 0.24 -0.00 0.74 0.00 0.00 0.00 179.25 180.21 1np0 h PHE 228 N 0.61 0.00 -0.37 0.00 0.04 -1.22 -2.14 116.94 113.85 1np0 h PHE 228 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1np0 h PHE 228 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1np0 h PHE 228 CO 0.01 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.81 1np0 n ASN 229 N -4.02 3.28 -2.25 2.17 3.02 -0.85 -4.75 115.26 111.86 1np0 n ASN 229 Ca -0.03 -1.94 -0.20 0.00 -0.03 0.00 0.00 54.58 52.38 1np0 n ASN 229 Cb 0.08 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1np0 n ASN 229 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1np0 n LYS 230 N 1.29 -1.69 -2.55 3.52 5.02 -0.27 -4.62 118.16 118.85 1np0 n LYS 230 Ca 0.17 1.01 -0.38 0.00 -2.02 0.00 0.00 58.31 57.09 1np0 n LYS 230 Cb 0.55 -5.61 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 1np0 n LYS 230 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1np0 s PHE 231 N -2.94 3.43 0.00 2.13 0.08 0.24 -4.96 117.98 115.97 1np0 s PHE 231 Ca 0.00 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.74 1np0 s PHE 231 Cb 0.00 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1np0 s PHE 231 CO 0.00 -0.48 0.51 0.27 -0.10 0.00 0.00 175.22 175.42 1np0 n ASN 232 N 0.44 0.93 -3.90 1.36 0.23 -0.13 -4.43 115.26 109.76 1np0 n ASN 232 Ca 0.03 -1.21 -0.25 0.00 -0.53 0.00 0.00 54.58 52.62 1np0 n ASN 232 Cb 0.48 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.01 1np0 n ASN 232 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1np0 s VAL 233 N -0.21 0.85 -0.48 3.53 1.01 -0.49 -0.10 120.40 124.51 1np0 s VAL 233 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1np0 s VAL 233 Cb 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1np0 s VAL 233 CO 0.00 0.32 0.55 -0.22 0.00 0.00 0.00 175.10 175.76 1np0 s LEU 234 N 1.43 5.03 -0.67 3.92 2.96 0.15 -0.93 118.68 130.58 1np0 s LEU 234 Ca -0.01 -0.91 -0.24 0.00 -0.22 0.00 0.00 54.13 52.75 1np0 s LEU 234 Cb -0.13 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.20 1np0 s LEU 234 CO -0.04 -0.79 1.05 -2.28 -1.32 0.00 0.00 176.35 172.98 1np0 s HIS 235 N 2.38 2.57 -0.75 5.38 5.65 0.49 -1.16 115.29 129.86 1np0 s HIS 235 Ca 0.13 -0.36 -0.21 0.00 0.25 0.00 0.00 55.06 54.87 1np0 s HIS 235 Cb -0.19 -4.37 0.09 0.00 -1.18 0.00 0.00 32.58 26.92 1np0 s HIS 235 CO 0.12 -1.75 1.01 -0.46 -0.65 0.00 0.00 174.74 173.01 1np0 s TRP 236 N 4.54 2.83 -1.23 3.88 -0.11 -0.28 -1.69 118.94 126.88 1np0 s TRP 236 Ca 0.27 -0.85 -0.19 0.00 1.22 0.00 0.00 56.10 56.55 1np0 s TRP 236 Cb -0.14 -4.28 0.07 0.00 -1.50 0.00 0.00 33.47 27.61 1np0 s TRP 236 CO 0.12 -1.58 1.67 -1.58 -4.62 0.00 0.00 176.95 170.96 1np0 s HIS 237 N 3.56 2.72 0.11 5.86 5.65 -0.12 -0.96 115.29 132.11 1np0 s HIS 237 Ca 0.25 -1.45 -0.05 0.00 0.25 0.00 0.00 55.06 54.06 1np0 s HIS 237 Cb -0.13 -4.75 -0.16 0.00 -1.18 0.00 0.00 32.58 26.36 1np0 s HIS 237 CO 0.03 -1.84 1.25 0.97 -0.65 0.00 0.00 174.74 174.50 1np0 h ILE 238 N 5.86 1.41 -3.02 0.89 2.10 -1.81 -2.46 117.51 120.48 1np0 h ILE 238 Ca 0.39 -2.60 -0.43 0.00 1.08 0.00 0.00 64.86 63.30 1np0 h ILE 238 Cb 0.90 2.57 -0.15 0.00 -1.09 0.00 0.00 36.82 39.06 1np0 h ILE 238 CO 1.45 0.77 -0.73 0.68 -1.08 0.00 0.00 178.15 179.24 1np0 s VAL 239 N -3.09 1.63 0.00 2.19 -7.23 -1.26 -3.84 120.40 108.79 1np0 s VAL 239 Ca -0.06 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1np0 s VAL 239 Cb 0.08 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1np0 s VAL 239 CO 0.88 -0.59 0.00 -0.67 -0.31 0.00 0.00 175.10 174.40 1np0 n ASP 240 N -0.26 0.00 -0.25 4.85 -0.08 -1.15 -4.64 116.55 115.02 1np0 n ASP 240 Ca -0.09 -0.65 -0.01 0.00 -1.51 0.00 0.00 54.79 52.54 1np0 n ASP 240 Cb 0.60 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.17 1np0 n ASP 240 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1np0 h ASP 241 N 0.00 0.60 0.59 1.67 3.32 -1.83 -3.30 116.42 117.47 1np0 h ASP 241 Ca 0.00 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 1np0 h ASP 241 Cb 0.00 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1np0 h ASP 241 CO 0.00 0.38 -0.78 1.56 -1.72 0.00 0.00 179.24 178.68 1np0 h GLN 242 N 0.74 0.14 -2.91 3.56 7.50 -1.91 -1.33 115.11 120.90 1np0 h GLN 242 Ca 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.32 1np0 h GLN 242 Cb 0.20 0.03 -0.13 0.00 0.05 0.00 0.00 27.48 27.64 1np0 h GLN 242 CO -0.19 0.85 0.23 -1.54 -1.50 0.00 0.00 178.83 176.68 1np0 s SER 243 N -6.88 -0.56 -0.55 1.46 1.04 -1.24 -4.83 113.70 102.13 1np0 s SER 243 Ca -0.02 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1np0 s SER 243 Cb 0.11 0.58 0.17 0.00 0.10 0.00 0.00 66.02 66.99 1np0 s SER 243 CO 0.81 -0.93 0.43 0.33 0.98 0.00 0.00 173.24 174.85 1np0 n PHE 244 N -0.31 1.09 0.41 5.02 -0.00 -0.16 -2.93 117.46 120.59 1np0 n PHE 244 Ca -0.17 -3.79 0.13 0.00 -0.00 0.00 0.00 57.45 53.63 1np0 n PHE 244 Cb 0.64 -0.17 0.42 0.00 -0.00 0.00 0.00 39.48 40.37 1np0 n PHE 244 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1np0 h PRO 245 N 5.44 0.00 -6.19 -7.13 0.13 -1.79 -3.15 132.00 119.31 1np0 h PRO 245 Ca 0.21 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.77 1np0 h PRO 245 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1np0 h PRO 245 CO 0.54 0.00 1.30 -0.47 -0.23 0.00 0.00 178.00 179.14 1np0 s TYR 246 N -3.28 1.59 -0.45 1.56 5.04 -1.26 -0.71 117.35 119.85 1np0 s TYR 246 Ca 0.07 0.41 -0.29 0.00 -2.44 0.00 0.00 57.07 54.81 1np0 s TYR 246 Cb 0.09 -4.04 0.03 0.00 0.35 0.00 0.00 41.96 38.39 1np0 s TYR 246 CO 0.56 -3.73 1.11 -1.14 -1.34 0.00 0.00 175.55 171.01 1np0 s GLN 247 N 5.43 3.78 -0.06 4.97 0.74 -0.88 -4.21 119.66 129.42 1np0 s GLN 247 Ca 0.86 0.63 -0.20 0.00 0.05 0.00 0.00 55.36 56.70 1np0 s GLN 247 Cb -0.30 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 1np0 s GLN 247 CO 0.34 -1.28 0.56 0.45 -0.55 0.00 0.00 175.29 174.81 1np0 s SER 248 N 2.30 6.85 -0.01 6.67 0.15 -1.26 -4.57 113.70 123.83 1np0 s SER 248 Ca 0.47 1.02 -0.25 0.00 0.70 0.00 0.00 55.95 57.88 1np0 s SER 248 Cb -0.08 -2.34 -0.19 0.00 -1.71 0.00 0.00 66.02 61.70 1np0 s SER 248 CO 0.28 0.02 1.28 0.40 1.20 0.00 0.00 173.24 176.43 1np0 h ILE 249 N 4.49 1.38 0.00 6.45 2.04 -1.97 -2.82 117.51 127.09 1np0 h ILE 249 Ca -0.43 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 1np0 h ILE 249 Cb 1.19 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 1np0 h ILE 249 CO 0.73 0.31 -0.31 0.71 0.00 0.00 0.00 178.15 179.59 1np0 h THR 250 N -0.42 0.72 -2.32 -0.27 1.35 -1.97 -3.34 112.91 106.67 1np0 h THR 250 Ca 0.00 -1.36 -0.59 0.00 -0.55 0.00 0.00 66.41 63.92 1np0 h THR 250 Cb 0.51 1.87 -0.41 0.00 -1.73 0.00 0.00 68.15 68.40 1np0 h THR 250 CO 0.01 0.30 -0.79 0.49 -0.25 0.00 0.00 175.52 175.28 1np0 n PHE 251 N -3.45 1.82 0.25 4.73 3.72 -1.22 -4.97 117.46 118.33 1np0 n PHE 251 Ca 0.00 -3.90 0.14 0.00 -0.05 0.00 0.00 57.45 53.64 1np0 n PHE 251 Cb 0.48 -0.40 0.80 0.00 -0.94 0.00 0.00 39.48 39.42 1np0 n PHE 251 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1np0 h PRO 252 N 4.53 0.00 0.00 -1.08 0.11 -1.64 -2.46 132.00 131.46 1np0 h PRO 252 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1np0 h PRO 252 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1np0 h PRO 252 CO 0.65 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 1np0 h GLU 253 N 0.00 0.00 0.34 1.05 4.39 -1.86 -2.72 114.58 115.78 1np0 h GLU 253 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1np0 h GLU 253 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1np0 h GLU 253 CO -0.00 0.00 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.52 1np0 h LEU 254 N 0.00 -0.66 0.01 1.33 3.38 -1.68 -1.98 115.31 115.71 1np0 h LEU 254 Ca 0.00 0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1np0 h LEU 254 Cb 0.57 0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.55 1np0 h LEU 254 CO 0.00 -0.39 -1.12 0.77 0.09 0.00 0.00 178.44 177.79 1np0 h SER 255 N -0.59 0.72 -0.63 -0.43 4.64 -1.72 0.11 113.55 115.65 1np0 h SER 255 Ca -0.03 -0.64 0.08 0.00 -0.47 0.00 0.00 61.79 60.73 1np0 h SER 255 Cb 0.51 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1np0 h SER 255 CO -0.00 1.45 0.42 0.78 -0.87 0.00 0.00 176.83 178.60 1np0 h ASN 256 N 0.26 0.50 0.00 4.97 2.35 -1.43 -0.96 115.58 121.26 1np0 h ASN 256 Ca -0.14 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1np0 h ASN 256 Cb 1.78 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 1np0 h ASN 256 CO 0.21 0.31 -1.75 0.29 -1.65 0.00 0.00 177.43 174.84 1np0 n LYS 257 N -4.48 0.60 0.01 0.81 5.02 -0.75 -4.68 118.16 114.70 1np0 n LYS 257 Ca 0.10 -0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1np0 n LYS 257 Cb 0.29 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 1np0 n LYS 257 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1np0 n GLY 258 N 1.66 -1.08 3.79 0.72 0.00 0.03 -4.79 105.19 105.52 1np0 n GLY 258 Ca -0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1np0 n GLY 258 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1np0 s SER 259 N -4.48 4.68 0.24 1.61 1.04 -0.38 -0.99 113.70 115.42 1np0 s SER 259 Ca -0.05 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 1np0 s SER 259 Cb 0.14 -2.36 0.25 0.00 0.10 0.00 0.00 66.02 64.14 1np0 s SER 259 CO 0.88 -1.89 1.78 1.88 0.98 0.00 0.00 173.24 176.88 1np0 h TYR 260 N -1.03 1.06 -2.62 5.02 0.05 -1.88 -3.46 116.97 114.12 1np0 h TYR 260 Ca -0.45 -0.10 0.12 0.00 0.05 0.00 0.00 58.73 58.34 1np0 h TYR 260 Cb 1.24 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 1np0 h TYR 260 CO 0.55 0.85 0.46 -1.54 -1.05 0.00 0.00 178.16 177.43 1np0 s SER 261 N -6.48 -0.07 0.55 3.88 1.04 -1.26 -5.01 113.70 106.35 1np0 s SER 261 Ca -0.11 -0.70 0.34 0.00 0.48 0.00 0.00 55.95 55.95 1np0 s SER 261 Cb 0.15 0.59 1.39 0.00 0.10 0.00 0.00 66.02 68.26 1np0 s SER 261 CO 0.83 -1.15 2.00 -0.07 0.98 0.00 0.00 173.24 175.82 1np0 h LEU 262 N 2.00 0.00 -1.36 2.42 4.07 -1.93 -1.84 115.31 118.67 1np0 h LEU 262 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1np0 h LEU 262 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1np0 h LEU 262 CO 0.33 0.02 0.00 -1.54 -1.08 0.00 0.00 178.44 176.17 1np0 n SER 263 N -3.12 2.00 -3.00 -0.43 3.41 -1.26 -4.22 113.62 107.00 1np0 n SER 263 Ca 0.00 -1.88 -0.28 0.00 -0.26 0.00 0.00 58.87 56.45 1np0 n SER 263 Cb 0.30 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1np0 n SER 263 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1np0 n HIS 264 N 0.56 3.96 -4.00 7.33 8.25 -0.69 -5.02 115.22 125.62 1np0 n HIS 264 Ca 0.15 -3.87 -0.10 0.00 -0.26 0.00 0.00 57.72 53.64 1np0 n HIS 264 Cb 0.34 -0.55 -0.11 0.00 1.12 0.00 0.00 29.99 30.79 1np0 n HIS 264 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1np0 s VAL 265 N -4.47 0.19 -0.31 1.59 1.01 -1.26 -4.39 120.40 112.75 1np0 s VAL 265 Ca 0.48 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1np0 s VAL 265 Cb 0.27 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.34 1np0 s VAL 265 CO -0.14 -0.49 0.09 -0.31 0.00 0.00 0.00 175.10 174.25 1np0 s TYR 266 N -1.47 3.19 0.78 5.22 2.02 0.11 -5.00 117.35 122.20 1np0 s TYR 266 Ca -0.15 -1.18 -0.11 0.00 -0.37 0.00 0.00 57.07 55.26 1np0 s TYR 266 Cb -0.10 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.26 1np0 s TYR 266 CO -0.01 -0.65 1.09 0.95 -1.57 0.00 0.00 175.55 175.36 1np0 s THR 267 N 1.46 3.25 0.34 -0.71 -4.23 -1.26 -2.07 115.64 112.41 1np0 s THR 267 Ca 0.01 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1np0 s THR 267 Cb -0.18 -3.12 0.33 0.00 1.34 0.00 0.00 72.50 70.87 1np0 s THR 267 CO 0.02 -0.53 1.77 -0.65 -0.54 0.00 0.00 174.62 174.70 1np0 h PRO 268 N -1.04 0.58 -0.27 3.99 0.11 -2.00 -1.29 132.00 132.08 1np0 h PRO 268 Ca -0.46 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 1np0 h PRO 268 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1np0 h PRO 268 CO 0.58 0.38 -0.46 -0.97 -0.21 0.00 0.00 178.00 177.32 1np0 h ASN 269 N 0.60 0.77 -0.51 -2.05 -1.24 -1.99 -1.55 115.58 109.60 1np0 h ASN 269 Ca 0.58 -0.37 0.04 0.00 0.71 0.00 0.00 56.30 57.26 1np0 h ASN 269 Cb 1.14 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.93 1np0 h ASN 269 CO -0.36 1.11 0.27 0.44 -1.29 0.00 0.00 177.43 177.60 1np0 h ASP 270 N 0.56 0.40 -0.20 1.15 3.32 -1.61 -1.47 116.42 118.57 1np0 h ASP 270 Ca 0.03 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1np0 h ASP 270 Cb 1.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1np0 h ASP 270 CO 0.10 0.28 0.11 0.58 -1.72 0.00 0.00 179.24 178.58 1np0 h VAL 271 N 0.53 1.11 -0.76 -1.35 2.07 -1.15 -2.04 116.25 114.67 1np0 h VAL 271 Ca 0.22 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1np0 h VAL 271 Cb 0.11 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1np0 h VAL 271 CO -0.14 0.11 0.47 0.03 0.02 0.00 0.00 177.57 178.05 1np0 h ARG 272 N 0.21 0.86 -0.26 1.57 3.08 -1.19 -1.36 114.38 117.28 1np0 h ARG 272 Ca 0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1np0 h ARG 272 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1np0 h ARG 272 CO -0.01 0.57 0.16 1.98 -1.07 0.00 0.00 179.97 181.59 1np0 h MET 273 N 0.88 0.31 -0.57 0.04 4.05 -1.06 0.61 114.93 119.19 1np0 h MET 273 Ca 0.32 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.69 1np0 h MET 273 Cb 0.09 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1np0 h MET 273 CO -0.14 0.21 0.24 0.28 0.23 0.00 0.00 176.91 177.72 1np0 h VAL 274 N 0.32 1.22 -0.03 -5.77 2.07 -1.18 0.56 116.25 113.44 1np0 h VAL 274 Ca 0.10 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1np0 h VAL 274 Cb -0.01 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1np0 h VAL 274 CO -0.04 0.26 0.01 0.40 0.02 0.00 0.00 177.57 178.22 1np0 h ILE 275 N 0.78 1.06 -0.21 4.57 2.04 -1.02 -0.66 117.51 124.06 1np0 h ILE 275 Ca 0.19 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1np0 h ILE 275 Cb 0.18 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1np0 h ILE 275 CO -0.02 0.05 0.09 -0.08 0.00 0.00 0.00 178.15 178.19 1np0 h GLU 276 N -0.04 0.31 -0.72 2.37 4.22 -0.76 -0.52 114.58 119.45 1np0 h GLU 276 Ca 0.01 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.45 1np0 h GLU 276 Cb 0.07 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1np0 h GLU 276 CO -0.00 0.36 0.42 -0.92 -2.18 0.00 0.00 179.01 176.69 1np0 h TYR 277 N 0.19 0.77 -0.39 0.92 3.20 -0.84 -1.47 116.97 119.35 1np0 h TYR 277 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1np0 h TYR 277 Cb 0.17 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1np0 h TYR 277 CO -0.01 0.38 0.15 0.00 -1.64 0.00 0.00 178.16 177.04 1np0 h ALA 278 N 1.36 0.51 -0.96 1.82 0.00 -0.90 -3.12 119.26 117.97 1np0 h ALA 278 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1np0 h ALA 278 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1np0 h ALA 278 CO -0.17 0.12 0.63 -0.09 0.00 0.00 0.00 179.25 179.74 1np0 h ARG 279 N 0.48 1.22 0.00 0.00 2.43 -0.39 1.00 114.38 119.12 1np0 h ARG 279 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1np0 h ARG 279 Cb 0.21 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1np0 h ARG 279 CO -0.01 0.81 0.00 -0.07 -1.51 0.00 0.00 179.97 179.19 1np0 h LEU 280 N 1.25 0.00 -2.92 3.80 3.38 -1.23 -1.20 115.31 118.39 1np0 h LEU 280 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1np0 h LEU 280 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1np0 h LEU 280 CO -0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.97 1np0 n ARG 281 N -2.66 2.93 -2.54 1.13 1.74 -0.43 -4.89 116.66 111.95 1np0 n ARG 281 Ca -0.01 -2.30 -0.13 0.00 -0.77 0.00 0.00 57.85 54.64 1np0 n ARG 281 Cb 0.11 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1np0 n ARG 281 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1np0 n GLY 282 N 0.64 -0.05 3.40 -0.13 0.00 -0.45 -4.89 105.19 103.69 1np0 n GLY 282 Ca 0.16 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1np0 n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1np0 s ILE 283 N -2.80 3.19 0.13 -0.61 1.01 0.22 -4.73 121.20 117.61 1np0 s ILE 283 Ca 0.12 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 1np0 s ILE 283 Cb -0.05 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 1np0 s ILE 283 CO 0.14 0.52 0.74 -0.13 0.00 0.00 0.00 174.94 176.22 1np0 s ARG 284 N 0.31 4.50 -0.39 2.79 0.52 0.85 -3.39 118.95 124.14 1np0 s ARG 284 Ca -0.09 1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 56.08 1np0 s ARG 284 Cb -0.15 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.08 1np0 s ARG 284 CO 0.05 0.53 0.24 0.08 0.02 0.00 0.00 175.30 176.23 1np0 s VAL 285 N -0.96 4.70 -0.48 3.52 1.01 -1.26 -0.67 120.40 126.26 1np0 s VAL 285 Ca 0.35 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1np0 s VAL 285 Cb -0.22 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1np0 s VAL 285 CO 0.25 -0.31 0.42 -0.22 0.00 0.00 0.00 175.10 175.24 1np0 s LEU 286 N 1.57 5.69 0.26 3.92 2.96 -0.31 -4.49 118.68 128.28 1np0 s LEU 286 Ca 0.03 -1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 52.26 1np0 s LEU 286 Cb -0.20 -2.20 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1np0 s LEU 286 CO 0.07 -0.69 0.95 -2.16 -1.32 0.00 0.00 176.35 173.19 1np0 s PRO 287 N 1.67 4.78 -0.18 0.98 0.04 -1.26 -1.12 135.00 139.90 1np0 s PRO 287 Ca 0.04 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1np0 s PRO 287 Cb -0.25 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1np0 s PRO 287 CO 0.06 0.45 -0.15 -2.00 0.04 0.00 0.00 177.00 175.39 1np0 s GLU 288 N -1.41 3.12 -0.56 4.56 2.12 -0.13 -1.46 118.70 124.94 1np0 s GLU 288 Ca 0.43 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 55.03 1np0 s GLU 288 Cb -0.24 -2.68 0.14 0.00 0.26 0.00 0.00 34.13 31.60 1np0 s GLU 288 CO 0.30 -0.16 0.31 -0.06 -0.54 0.00 0.00 175.26 175.11 1np0 s PHE 289 N 1.24 3.26 0.12 5.30 0.08 -1.01 -3.20 117.98 123.78 1np0 s PHE 289 Ca 0.03 -3.19 -0.31 0.00 0.12 0.00 0.00 56.93 53.58 1np0 s PHE 289 Cb -0.14 -2.82 -0.08 0.00 -0.57 0.00 0.00 43.02 39.41 1np0 s PHE 289 CO -0.08 -0.71 1.42 0.34 -0.10 0.00 0.00 175.22 176.09 1np0 s ASP 290 N -0.46 6.79 0.15 1.36 -1.08 -1.26 -4.56 116.67 117.60 1np0 s ASP 290 Ca 0.18 2.37 -0.13 0.00 -0.52 0.00 0.00 52.55 54.45 1np0 s ASP 290 Cb -0.22 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.67 1np0 s ASP 290 CO -0.03 -0.68 0.37 0.42 0.52 0.00 0.00 175.17 175.77 1np0 s THR 291 N 1.12 0.07 -0.36 1.71 -4.23 -1.05 -4.62 115.64 108.28 1np0 s THR 291 Ca 0.65 -0.95 0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1np0 s THR 291 Cb -0.38 -1.49 0.25 0.00 1.34 0.00 0.00 72.50 72.21 1np0 s THR 291 CO 0.30 -0.31 1.50 1.55 -0.54 0.00 0.00 174.62 177.13 1np0 h PRO 292 N 2.43 0.00 -7.69 3.99 0.13 -1.92 -2.12 132.00 126.82 1np0 h PRO 292 Ca -0.32 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.36 1np0 h PRO 292 Cb 1.24 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.51 1np0 h PRO 292 CO 0.46 0.09 0.39 0.20 -0.23 0.00 0.00 178.00 178.91 1np0 s GLY 293 N -4.28 1.73 -1.46 1.56 0.00 -1.26 -1.70 107.32 101.90 1np0 s GLY 293 Ca 0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1np0 s GLY 293 CO 0.70 -0.43 0.16 1.42 0.00 0.00 0.00 173.10 174.95 1np0 n HIS 294 N -3.54 -1.11 -0.77 1.90 8.25 -1.26 -4.87 115.22 113.82 1np0 n HIS 294 Ca 0.13 0.14 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 1np0 n HIS 294 Cb 0.60 -3.68 0.11 0.00 1.12 0.00 0.00 29.99 28.14 1np0 n HIS 294 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1np0 n THR 295 N -4.12 1.66 -0.24 1.59 -2.24 -1.26 -2.46 114.28 107.22 1np0 n THR 295 Ca -0.18 -1.90 0.01 0.00 -2.27 0.00 0.00 64.05 59.72 1np0 n THR 295 Cb 0.64 -0.03 0.13 0.00 -2.10 0.00 0.00 70.33 68.97 1np0 n THR 295 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1np0 h LEU 296 N 0.14 0.44 -2.35 3.22 3.38 -1.79 -0.26 115.31 118.09 1np0 h LEU 296 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1np0 h LEU 296 Cb 0.89 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1np0 h LEU 296 CO 0.01 0.25 -0.04 0.77 0.09 0.00 0.00 178.44 179.53 1np0 h SER 297 N 0.58 0.00 0.11 -0.43 4.64 -1.35 -2.44 113.55 114.66 1np0 h SER 297 Ca 0.34 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1np0 h SER 297 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1np0 h SER 297 CO -0.27 0.04 -0.26 -0.50 -0.87 0.00 0.00 176.83 174.97 1np0 h TRP 298 N 0.00 0.29 0.00 4.77 4.06 -1.31 -3.12 115.95 120.63 1np0 h TRP 298 Ca -0.00 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1np0 h TRP 298 Cb 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1np0 h TRP 298 CO 0.00 0.51 0.00 0.78 -3.56 0.00 0.00 178.44 176.17 1np0 h GLY 299 N 0.99 0.00 0.92 1.49 0.00 -1.46 -2.11 103.07 102.90 1np0 h GLY 299 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1np0 h GLY 299 CO 0.04 0.00 0.12 0.50 0.00 0.00 0.00 176.54 177.20 1np0 h LYS 300 N 0.00 0.41 0.00 4.80 1.79 -1.67 -3.32 116.57 118.58 1np0 h LYS 300 Ca 0.00 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1np0 h LYS 300 Cb 0.50 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1np0 h LYS 300 CO 0.00 0.42 -1.62 0.41 -1.08 0.00 0.00 179.45 177.58 1np0 n GLY 301 N -0.77 -1.18 3.10 3.86 0.00 -1.20 -4.76 105.19 104.25 1np0 n GLY 301 Ca -0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1np0 n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1np0 s GLN 302 N -3.39 1.97 0.37 1.61 2.00 -0.80 -4.57 119.66 116.87 1np0 s GLN 302 Ca -0.05 -1.69 -0.26 0.00 -2.00 0.00 0.00 55.36 51.36 1np0 s GLN 302 Cb 0.12 -3.37 -0.09 0.00 0.80 0.00 0.00 33.01 30.46 1np0 s GLN 302 CO 0.86 -0.92 1.10 -1.59 -0.50 0.00 0.00 175.29 174.24 1np0 s LYS 303 N 1.10 4.23 0.00 1.67 0.00 -1.26 -3.28 119.74 122.19 1np0 s LYS 303 Ca 0.05 1.68 0.00 0.00 0.00 0.00 0.00 55.97 57.70 1np0 s LYS 303 Cb -0.21 -2.72 0.00 0.00 0.00 0.00 0.00 37.83 34.90 1np0 s LYS 303 CO -0.04 -0.13 0.00 -0.25 0.00 0.00 0.00 175.35 174.93 1np0 n ASP 304 N 0.24 -3.03 -0.05 0.03 8.00 -1.26 -4.86 116.55 115.61 1np0 n ASP 304 Ca 0.03 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 1np0 n ASP 304 Cb 0.48 -2.13 -0.12 0.00 -0.02 0.00 0.00 41.12 39.33 1np0 n ASP 304 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1np0 h LEU 305 N 0.00 0.04-10.07 0.64 5.85 -1.92 -3.46 115.31 106.39 1np0 h LEU 305 Ca 0.00 -0.88 -0.45 0.00 0.84 0.00 0.00 57.88 57.39 1np0 h LEU 305 Cb 0.40 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1np0 h LEU 305 CO 0.00 0.92 0.31 -0.76 -0.34 0.00 0.00 178.44 178.56 1np0 s LEU 306 N -8.42 3.93 -0.12 2.25 1.43 -1.26 -0.56 118.68 115.92 1np0 s LEU 306 Ca -0.18 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1np0 s LEU 306 Cb -0.02 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 1np0 s LEU 306 CO 0.70 -0.36 1.04 -0.89 0.23 0.00 0.00 176.35 177.07 1np0 s THR 307 N -2.20 4.70 0.31 5.49 2.01 -0.50 -4.68 115.64 120.76 1np0 s THR 307 Ca 0.60 1.98 -0.29 0.00 0.31 0.00 0.00 61.69 64.30 1np0 s THR 307 Cb -0.09 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1np0 s THR 307 CO 0.16 -0.03 1.18 -2.84 -0.69 0.00 0.00 174.62 172.40 1np0 s PRO 308 N 2.26 4.50 -0.24 4.92 0.02 -1.26 0.00 135.00 145.20 1np0 s PRO 308 Ca 0.49 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 63.33 1np0 s PRO 308 Cb -0.18 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1np0 s PRO 308 CO 0.16 0.03 0.32 0.00 -0.33 0.00 0.00 177.00 177.18 1np0 s TYR 310 N 1.57 2.96 0.00 0.00 1.51 -1.26 -4.77 117.35 117.37 1np0 s TYR 310 Ca 0.14 -1.51 0.00 0.00 -1.01 0.00 0.00 57.07 54.69 1np0 s TYR 310 Cb -0.15 -4.54 0.00 0.00 -0.11 0.00 0.00 41.96 37.16 1np0 s TYR 310 CO 0.08 -1.68 0.00 0.45 -1.11 0.00 0.00 175.55 173.30 1np0 n SER 311 N 7.47 0.00 0.09 2.29 2.88 -1.26 -4.99 113.62 120.11 1np0 n SER 311 Ca 0.37 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.86 1np0 n SER 311 Cb 0.47 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.02 1np0 n SER 311 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1np0 h LEU 316 N 0.00 0.22 0.00 2.46 5.85 -1.92 -3.42 115.31 118.50 1np0 h LEU 316 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1np0 h LEU 316 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1np0 h LEU 316 CO 0.00 0.83 0.00 0.47 -0.34 0.00 0.00 178.44 179.40 1np0 n ASP 317 N -3.80 0.00 -0.12 1.25 8.00 -1.26 -5.08 116.55 115.54 1np0 n ASP 317 Ca -0.02 -0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.19 1np0 n ASP 317 Cb 0.67 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 1np0 n ASP 317 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1np0 n SER 318 N -0.21 1.97 -4.19 -2.24 7.64 -1.26 -4.68 113.62 110.64 1np0 n SER 318 Ca 0.00 0.09 -0.23 0.00 1.01 0.00 0.00 58.87 59.74 1np0 n SER 318 Cb 0.00 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.51 1np0 n SER 318 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1np0 s PHE 319 N -2.46 1.52 0.00 1.43 0.08 -1.26 0.03 117.98 117.32 1np0 s PHE 319 Ca -0.33 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1np0 s PHE 319 Cb 0.11 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 1np0 s PHE 319 CO 0.49 0.05 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1np0 n GLY 320 N 1.99 4.10 3.45 4.36 0.00 0.10 -4.85 105.19 114.34 1np0 n GLY 320 Ca -0.17 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 1np0 n GLY 320 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1np0 s PRO 321 N 2.59 -1.40 0.33 1.61 0.02 -1.26 -4.05 135.00 132.83 1np0 s PRO 321 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 61.00 61.43 1np0 s PRO 321 Cb 0.00 -1.51 -0.12 0.00 0.02 0.00 0.00 34.50 32.89 1np0 s PRO 321 CO 0.00 -4.01 1.31 -0.89 -0.33 0.00 0.00 177.00 173.08 1np0 n ILE 322 N -5.10 1.89 -2.47 2.83 5.41 -0.69 -1.41 119.36 119.83 1np0 n ILE 322 Ca 0.04 -0.47 -0.43 0.00 1.00 0.00 0.00 62.75 62.89 1np0 n ILE 322 Cb 0.55 -1.57 -0.02 0.00 -0.71 0.00 0.00 39.64 37.89 1np0 n ILE 322 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1np0 s ASN 323 N -0.24 6.46 0.00 4.38 3.84 0.28 -4.71 114.94 124.96 1np0 s ASN 323 Ca 0.57 0.63 0.18 0.00 0.21 0.00 0.00 52.86 54.45 1np0 s ASN 323 Cb -0.57 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.30 1np0 s ASN 323 CO 0.61 -1.36 1.51 -0.81 -2.79 0.00 0.00 177.10 174.26 1np0 n PRO 324 N 8.00 1.62 0.00 0.43 -0.04 -1.26 -3.88 135.00 139.87 1np0 n PRO 324 Ca 0.14 -0.94 0.10 0.00 -0.04 0.00 0.00 63.50 62.77 1np0 n PRO 324 Cb 0.48 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1np0 n PRO 324 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1np0 n THR 325 N 0.17 0.00 -3.82 0.52 -2.24 -1.26 -4.85 114.28 102.80 1np0 n THR 325 Ca 0.15 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1np0 n THR 325 Cb 0.28 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 1np0 n THR 325 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1np0 s LEU 326 N -2.54 4.38 0.41 3.22 1.43 -1.25 -5.00 118.68 119.33 1np0 s LEU 326 Ca 0.14 0.50 0.19 0.00 -1.03 0.00 0.00 54.13 53.93 1np0 s LEU 326 Cb 0.16 -2.13 0.87 0.00 0.03 0.00 0.00 46.19 45.13 1np0 s LEU 326 CO 0.62 0.38 1.85 0.78 0.23 0.00 0.00 176.35 180.20 1np0 h ASN 327 N 5.12 0.00 0.24 2.29 -0.26 -1.93 -2.96 115.58 118.08 1np0 h ASN 327 Ca -0.53 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.16 1np0 h ASN 327 Cb 1.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 1np0 h ASN 327 CO 0.60 0.32 -0.20 0.71 -1.06 0.00 0.00 177.43 177.80 1np0 h THR 328 N 0.00 1.06 0.49 2.81 1.35 -1.96 -1.64 112.91 115.01 1np0 h THR 328 Ca -0.00 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1np0 h THR 328 Cb 0.68 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1np0 h THR 328 CO 0.04 0.20 -0.24 0.74 -0.25 0.00 0.00 175.52 176.01 1np0 h THR 329 N 0.00 0.50 0.00 6.82 2.02 -1.82 -0.91 112.91 119.52 1np0 h THR 329 Ca -0.00 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1np0 h THR 329 Cb 0.37 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1np0 h THR 329 CO 0.03 0.03 -0.39 1.88 0.37 0.00 0.00 175.52 177.43 1np0 h TYR 330 N -0.75 0.00 -0.24 3.16 0.05 -1.61 0.77 116.97 118.35 1np0 h TYR 330 Ca -0.07 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.53 1np0 h TYR 330 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1np0 h TYR 330 CO -0.02 0.39 -0.58 1.03 -1.05 0.00 0.00 178.16 177.93 1np0 h SER 331 N 0.00 0.89 -0.05 3.88 0.87 -1.30 -1.01 113.55 116.83 1np0 h SER 331 Ca -0.00 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1np0 h SER 331 Cb 0.82 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1np0 h SER 331 CO 0.05 1.27 -0.00 0.15 -0.53 0.00 0.00 176.83 177.77 1np0 h PHE 332 N 0.59 0.09 -0.56 2.24 3.57 -0.59 -2.80 116.94 119.48 1np0 h PHE 332 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1np0 h PHE 332 Cb 1.18 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1np0 h PHE 332 CO 0.07 0.37 0.30 -0.07 -2.23 0.00 0.00 178.31 176.75 1np0 h LEU 333 N -0.22 0.69 0.64 0.59 3.38 -0.87 0.72 115.31 120.25 1np0 h LEU 333 Ca 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1np0 h LEU 333 Cb 0.34 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1np0 h LEU 333 CO 0.00 0.56 -0.31 0.74 0.09 0.00 0.00 178.44 179.53 1np0 h THR 334 N 0.78 0.35 -0.41 0.22 2.02 -1.17 0.23 112.91 114.93 1np0 h THR 334 Ca 0.20 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.32 1np0 h THR 334 Cb 0.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1np0 h THR 334 CO -0.03 0.01 0.26 0.74 0.37 0.00 0.00 175.52 176.87 1np0 h THR 335 N -0.91 1.08 0.52 3.16 2.02 -1.30 -1.43 112.91 116.06 1np0 h THR 335 Ca -0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1np0 h THR 335 Cb 0.68 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1np0 h THR 335 CO 0.15 0.10 -0.25 0.15 0.37 0.00 0.00 175.52 176.03 1np0 h PHE 336 N 0.54 -0.65 0.00 3.16 3.57 -0.78 -2.71 116.94 120.06 1np0 h PHE 336 Ca 0.16 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1np0 h PHE 336 Cb -0.04 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1np0 h PHE 336 CO -0.06 -0.40 -0.18 0.74 -2.23 0.00 0.00 178.31 176.19 1np0 h PHE 337 N -0.72 0.00 -0.24 0.41 0.04 -0.49 -1.75 116.94 114.20 1np0 h PHE 337 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1np0 h PHE 337 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1np0 h PHE 337 CO -0.04 0.18 0.13 -0.22 -0.60 0.00 0.00 178.31 177.76 1np0 h LYS 338 N 0.00 0.34 -0.75 1.51 3.64 -1.16 0.60 116.57 120.75 1np0 h LYS 338 Ca -0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1np0 h LYS 338 Cb 0.39 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 1np0 h LYS 338 CO 0.02 0.31 0.40 1.49 -2.27 0.00 0.00 179.45 179.40 1np0 h GLU 339 N 0.27 0.67 -0.70 1.90 4.81 -1.01 -2.20 114.58 118.32 1np0 h GLU 339 Ca 0.08 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1np0 h GLU 339 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1np0 h GLU 339 CO -0.01 0.44 0.20 0.82 -0.73 0.00 0.00 179.01 179.73 1np0 h ILE 340 N 0.69 1.26 0.00 2.32 1.08 -1.02 -0.70 117.51 121.14 1np0 h ILE 340 Ca 0.36 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1np0 h ILE 340 Cb 0.33 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1np0 h ILE 340 CO -0.25 0.35 0.00 0.77 -0.69 0.00 0.00 178.15 178.34 1np0 h SER 341 N 1.04 0.00 0.05 1.72 4.64 -0.25 -1.64 113.55 119.12 1np0 h SER 341 Ca 0.22 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.17 1np0 h SER 341 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1np0 h SER 341 CO -0.00 0.00 -2.23 -0.62 -0.87 0.00 0.00 176.83 173.11 1np0 n GLU 342 N -3.01 0.69 -0.06 4.77 1.02 -0.93 -4.55 120.64 118.57 1np0 n GLU 342 Ca -0.02 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1np0 n GLU 342 Cb 0.13 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 1np0 n GLU 342 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1np0 h VAL 343 N -0.06 1.32 -3.60 2.62 2.07 -0.94 -3.42 116.25 114.25 1np0 h VAL 343 Ca -0.51 -1.21 -0.70 0.00 0.82 0.00 0.00 66.70 65.10 1np0 h VAL 343 Cb 1.92 1.76 -0.21 0.00 -1.52 0.00 0.00 31.29 33.23 1np0 h VAL 343 CO -0.04 0.36 -0.48 -0.36 0.02 0.00 0.00 177.57 177.07 1np0 s PHE 344 N -4.46 3.23 -0.28 1.57 0.08 -0.63 -4.95 117.98 112.54 1np0 s PHE 344 Ca -0.14 -0.58 0.28 0.00 0.12 0.00 0.00 56.93 56.61 1np0 s PHE 344 Cb 0.06 -2.49 1.03 0.00 -0.57 0.00 0.00 43.02 41.04 1np0 s PHE 344 CO 0.75 -0.53 1.82 -1.00 -0.10 0.00 0.00 175.22 176.16 1np0 h PRO 345 N 8.51 0.00 -6.71 0.24 0.13 -1.85 -3.43 132.00 128.89 1np0 h PRO 345 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.27 1np0 h PRO 345 Cb 1.13 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.40 1np0 h PRO 345 CO 0.67 0.00 0.15 -3.47 -0.23 0.00 0.00 178.00 175.12 1np0 n ASP 346 N -2.70 1.09 0.25 1.44 2.03 -1.26 -4.88 116.55 112.53 1np0 n ASP 346 Ca 0.02 0.96 0.07 0.00 0.52 0.00 0.00 54.79 56.36 1np0 n ASP 346 Cb 0.33 -1.37 0.61 0.00 -0.72 0.00 0.00 41.12 39.97 1np0 n ASP 346 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1np0 h GLN 347 N 1.21 0.00 -6.30 -0.67 4.20 -1.90 -3.44 115.11 108.21 1np0 h GLN 347 Ca -0.46 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.59 1np0 h GLN 347 Cb 1.34 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.00 1np0 h GLN 347 CO 0.55 0.04 -0.66 -0.06 -0.67 0.00 0.00 178.83 178.03 1np0 s PHE 348 N -4.97 3.01 -0.05 2.96 0.40 -1.26 -0.00 117.98 118.06 1np0 s PHE 348 Ca -0.05 -0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1np0 s PHE 348 Cb 0.17 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 42.13 1np0 s PHE 348 CO 0.68 0.47 -0.13 0.42 0.70 0.00 0.00 175.22 177.35 1np0 s ILE 349 N -1.24 1.17 -0.27 0.64 1.01 -0.82 -4.50 121.20 117.19 1np0 s ILE 349 Ca 0.24 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1np0 s ILE 349 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 1np0 s ILE 349 CO 0.16 0.36 0.57 -2.28 0.00 0.00 0.00 174.94 173.75 1np0 s HIS 350 N 0.37 3.26 -1.72 3.97 2.46 -0.54 -1.57 115.29 121.52 1np0 s HIS 350 Ca -0.09 0.67 0.26 0.00 0.47 0.00 0.00 55.06 56.36 1np0 s HIS 350 Cb -0.13 -2.82 0.61 0.00 -0.13 0.00 0.00 32.58 30.11 1np0 s HIS 350 CO 0.03 -0.34 1.47 1.28 -2.47 0.00 0.00 174.74 174.71 1np0 n LEU 351 N 5.67 1.13 0.00 8.88 4.77 0.07 -2.39 117.00 135.12 1np0 n LEU 351 Ca -0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1np0 n LEU 351 Cb 0.49 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1np0 n LEU 351 CO 0.42 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1np0 n GLY 352 N 1.37 2.02 1.40 -0.72 0.00 -1.25 -2.53 105.19 105.46 1np0 n GLY 352 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1np0 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1np0 n GLY 353 N 0.00 0.64 3.85 -0.02 0.00 -0.80 -1.27 105.19 107.60 1np0 n GLY 353 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1np0 n GLY 353 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1np0 s ASP 354 N -2.06 6.65 -1.66 1.61 -4.77 -1.26 -4.39 116.67 110.78 1np0 s ASP 354 Ca 0.00 1.41 -0.09 0.00 -3.30 0.00 0.00 52.55 50.57 1np0 s ASP 354 Cb 0.00 -2.44 0.09 0.00 -1.09 0.00 0.00 42.92 39.48 1np0 s ASP 354 CO 0.00 -0.45 0.24 -0.62 0.70 0.00 0.00 175.17 175.04 1np0 n GLU 355 N -1.22 -1.03 -2.22 2.11 1.02 -1.26 -4.59 120.64 113.45 1np0 n GLU 355 Ca 0.05 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1np0 n GLU 355 Cb 0.54 -4.05 -0.03 0.00 -0.02 0.00 0.00 31.44 27.88 1np0 n GLU 355 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1np0 s VAL 356 N -3.95 3.76 -0.12 2.62 1.01 -1.26 -4.81 120.40 117.64 1np0 s VAL 356 Ca 0.31 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 1np0 s VAL 356 Cb -0.18 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1np0 s VAL 356 CO 1.00 -0.02 0.61 -1.61 0.00 0.00 0.00 175.10 175.08 1np0 s GLU 357 N 2.66 4.34 0.13 2.72 2.02 -1.26 -5.00 118.70 124.32 1np0 s GLU 357 Ca 0.64 0.67 0.21 0.00 0.02 0.00 0.00 54.97 56.51 1np0 s GLU 357 Cb -0.31 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.35 1np0 s GLU 357 CO 0.26 0.00 0.89 1.19 0.02 0.00 0.00 175.26 177.62 1np0 n PHE 358 N 4.12 0.78 -0.34 1.61 3.72 -1.26 -4.43 117.46 121.66 1np0 n PHE 358 Ca -0.03 0.23 0.21 0.00 -0.05 0.00 0.00 57.45 57.81 1np0 n PHE 358 Cb 0.51 -0.90 0.45 0.00 -0.94 0.00 0.00 39.48 38.60 1np0 n PHE 358 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1np0 h LYS 359 N 0.00 0.46 -0.17 -1.08 1.79 -1.98 0.29 116.57 115.89 1np0 h LYS 359 Ca -0.04 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.23 1np0 h LYS 359 Cb 1.12 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1np0 h LYS 359 CO 0.01 0.30 -0.57 0.00 -1.08 0.00 0.00 179.45 178.11 1np0 h TRP 361 N 0.37 0.76 -0.90 0.00 6.55 -1.39 -2.81 115.95 118.51 1np0 h TRP 361 Ca -0.02 -0.11 0.02 0.00 0.95 0.00 0.00 58.89 59.72 1np0 h TRP 361 Cb 1.20 -0.20 -0.05 0.00 -0.86 0.00 0.00 29.16 29.25 1np0 h TRP 361 CO 0.09 0.74 0.59 1.49 -1.05 0.00 0.00 178.44 180.30 1np0 h GLU 362 N 0.56 1.15 -0.00 0.49 4.81 -0.50 -2.80 114.58 118.29 1np0 h GLU 362 Ca 0.13 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1np0 h GLU 362 Cb 0.40 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1np0 h GLU 362 CO 0.01 0.76 -0.01 -1.13 -0.73 0.00 0.00 179.01 177.91 1np0 n SER 363 N -4.48 0.07 -4.68 1.04 3.41 -0.48 -4.83 113.62 103.67 1np0 n SER 363 Ca 0.11 -0.41 -0.38 0.00 -0.26 0.00 0.00 58.87 57.93 1np0 n SER 363 Cb 0.04 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1np0 n SER 363 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1np0 s ASN 364 N -2.42 6.40 0.19 4.04 3.84 -1.05 -4.63 114.94 121.30 1np0 s ASN 364 Ca 0.33 0.47 -0.08 0.00 0.21 0.00 0.00 52.86 53.79 1np0 s ASN 364 Cb 0.21 -2.21 0.11 0.00 -0.55 0.00 0.00 41.25 38.80 1np0 s ASN 364 CO 0.44 -0.03 1.66 -0.65 -2.79 0.00 0.00 177.10 175.73 1np0 h PRO 365 N 7.28 1.04 -0.22 0.43 0.11 -1.88 -1.46 132.00 137.31 1np0 h PRO 365 Ca -0.37 -0.33 -0.07 0.00 0.11 0.00 0.00 66.00 65.34 1np0 h PRO 365 Cb 1.16 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1np0 h PRO 365 CO 0.71 1.02 -0.18 0.87 -0.21 0.00 0.00 178.00 180.21 1np0 h LYS 366 N 0.95 0.37 -0.11 1.05 6.56 -1.95 -0.92 116.57 122.54 1np0 h LYS 366 Ca 0.17 -0.11 -0.12 0.00 -1.06 0.00 0.00 60.65 59.53 1np0 h LYS 366 Cb 0.55 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1np0 h LYS 366 CO 0.03 0.55 -0.39 0.82 -2.06 0.00 0.00 179.45 178.40 1np0 h ILE 367 N 0.34 1.38 -0.93 1.86 2.04 -1.81 -1.65 117.51 118.74 1np0 h ILE 367 Ca 0.06 -1.72 0.15 0.00 1.00 0.00 0.00 64.86 64.35 1np0 h ILE 367 Cb 0.52 2.17 -0.10 0.00 -0.74 0.00 0.00 36.82 38.68 1np0 h ILE 367 CO 0.03 0.51 0.54 1.56 0.00 0.00 0.00 178.15 180.79 1np0 h GLN 368 N 0.04 0.73 0.30 2.37 4.20 -1.04 0.35 115.11 122.06 1np0 h GLN 368 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1np0 h GLN 368 Cb 1.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1np0 h GLN 368 CO 0.08 0.48 -0.15 -0.44 -0.67 0.00 0.00 178.83 178.14 1np0 h ASP 369 N 0.75 -0.34 -0.88 1.46 3.32 -1.06 -3.01 116.42 116.66 1np0 h ASP 369 Ca 0.50 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.56 1np0 h ASP 369 Cb 0.69 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1np0 h ASP 369 CO -0.34 -0.12 0.57 0.15 -1.72 0.00 0.00 179.24 177.77 1np0 h PHE 370 N -0.55 0.94 -0.41 4.55 3.57 -0.44 -1.90 116.94 122.69 1np0 h PHE 370 Ca -0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1np0 h PHE 370 Cb 0.41 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1np0 h PHE 370 CO -0.02 0.44 0.19 0.52 -2.23 0.00 0.00 178.31 177.21 1np0 h MET 371 N 0.87 0.38 0.00 1.11 2.86 -0.23 -2.54 114.93 117.38 1np0 h MET 371 Ca 0.40 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.94 1np0 h MET 371 Cb 0.39 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1np0 h MET 371 CO -0.17 0.25 -0.38 0.07 1.06 0.00 0.00 176.91 177.74 1np0 h ARG 372 N 0.39 0.00 -0.45 1.72 0.11 -1.35 -1.00 114.38 113.81 1np0 h ARG 372 Ca 0.18 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.39 1np0 h ARG 372 Cb 0.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 1np0 h ARG 372 CO -0.14 0.38 0.36 1.96 0.10 0.00 0.00 179.97 182.64 1np0 h GLN 373 N 0.00 0.00 0.00 0.08 4.20 -0.90 -2.95 115.11 115.53 1np0 h GLN 373 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1np0 h GLN 373 Cb 1.13 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.69 1np0 h GLN 373 CO 0.05 0.00 -0.78 1.63 -0.67 0.00 0.00 178.83 179.06 1np0 n LYS 374 N -4.16 0.46 -2.86 1.46 5.02 -1.23 -5.05 118.16 111.81 1np0 n LYS 374 Ca 0.08 -2.22 -0.16 0.00 -2.02 0.00 0.00 58.31 53.99 1np0 n LYS 374 Cb 0.56 -0.54 0.03 0.00 -0.02 0.00 0.00 35.03 35.06 1np0 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1np0 n GLY 375 N -0.07 -0.13 0.11 0.72 0.00 -1.10 -4.92 105.19 99.79 1np0 n GLY 375 Ca 0.09 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1np0 n GLY 375 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1np0 n PHE 376 N -4.14 0.00 0.00 1.61 3.72 -0.40 -4.99 117.46 113.26 1np0 n PHE 376 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1np0 n PHE 376 Cb 0.58 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1np0 n PHE 376 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1np0 n GLY 377 N 1.27 3.98 0.54 1.37 0.00 -1.26 -1.30 105.19 109.79 1np0 n GLY 377 Ca 0.15 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1np0 n GLY 377 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1np0 n THR 378 N 0.00 1.65 -3.15 2.61 -2.24 -1.26 -4.73 114.28 107.16 1np0 n THR 378 Ca 0.00 -1.57 -0.45 0.00 -2.27 0.00 0.00 64.05 59.76 1np0 n THR 378 Cb 0.00 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1np0 n THR 378 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1np0 s ASP 379 N -1.70 6.35 0.02 3.42 2.15 -0.42 -4.91 116.67 121.58 1np0 s ASP 379 Ca 0.29 -1.78 0.22 0.00 0.43 0.00 0.00 52.55 51.71 1np0 s ASP 379 Cb 0.22 -2.29 0.94 0.00 -0.30 0.00 0.00 42.92 41.49 1np0 s ASP 379 CO 0.08 -0.98 1.71 0.49 -0.17 0.00 0.00 175.17 176.30 1np0 n PHE 380 N 5.82 0.06 0.02 -5.34 3.72 -1.26 -2.43 117.46 118.06 1np0 n PHE 380 Ca -0.01 0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 1np0 n PHE 380 Cb 0.44 -0.53 0.37 0.00 -0.94 0.00 0.00 39.48 38.82 1np0 n PHE 380 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1np0 h LYS 381 N 0.00 0.48 -0.02 -1.08 1.57 -1.91 -1.37 116.57 114.24 1np0 h LYS 381 Ca 0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1np0 h LYS 381 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1np0 h LYS 381 CO 0.00 0.43 -0.47 0.87 -0.57 0.00 0.00 179.45 179.71 1np0 h LYS 382 N 0.47 0.05 0.04 3.15 1.57 -1.76 0.12 116.57 120.20 1np0 h LYS 382 Ca 0.11 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1np0 h LYS 382 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1np0 h LYS 382 CO -0.01 0.50 -1.05 1.25 -0.57 0.00 0.00 179.45 179.58 1np0 h LEU 383 N 0.04 0.64 -0.18 2.94 5.85 -1.57 -0.79 115.31 122.23 1np0 h LEU 383 Ca -0.00 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1np0 h LEU 383 Cb 0.84 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1np0 h LEU 383 CO 0.06 1.36 0.07 -0.08 -0.34 0.00 0.00 178.44 179.51 1np0 h GLU 384 N 0.25 0.28 -0.28 1.25 4.81 -1.15 -1.17 114.58 118.57 1np0 h GLU 384 Ca -0.11 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1np0 h GLU 384 Cb 1.71 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1np0 h GLU 384 CO 0.19 0.36 0.14 0.77 -0.73 0.00 0.00 179.01 179.73 1np0 h SER 385 N 0.14 0.20 -0.51 1.04 0.02 -0.76 -0.60 113.55 113.07 1np0 h SER 385 Ca 0.06 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1np0 h SER 385 Cb 0.19 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 1np0 h SER 385 CO -0.00 0.15 0.17 0.15 -1.14 0.00 0.00 176.83 176.16 1np0 h PHE 386 N 0.29 0.29 -0.04 3.45 3.57 -1.05 -0.43 116.94 123.03 1np0 h PHE 386 Ca 0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1np0 h PHE 386 Cb 0.04 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1np0 h PHE 386 CO -0.10 0.08 0.02 -0.92 -2.23 0.00 0.00 178.31 175.17 1np0 h TYR 387 N 0.34 0.05 -0.64 0.41 3.20 -0.84 -3.05 116.97 116.44 1np0 h TYR 387 Ca 0.25 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1np0 h TYR 387 Cb 0.29 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1np0 h TYR 387 CO -0.17 0.08 0.09 0.97 -1.64 0.00 0.00 178.16 177.48 1np0 h ILE 388 N 0.01 1.26 -0.93 1.81 6.09 -0.65 -2.68 117.51 122.42 1np0 h ILE 388 Ca 0.01 -1.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 1np0 h ILE 388 Cb 0.04 0.67 -0.05 0.00 0.47 0.00 0.00 36.82 37.96 1np0 h ILE 388 CO -0.00 0.38 0.59 1.56 -3.07 0.00 0.00 178.15 177.61 1np0 h GLN 389 N 0.98 1.24 -0.32 2.19 4.20 -1.13 0.69 115.11 122.96 1np0 h GLN 389 Ca 0.19 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1np0 h GLN 389 Cb 0.44 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1np0 h GLN 389 CO 0.01 0.85 -0.14 0.87 -0.67 0.00 0.00 178.83 179.75 1np0 h LYS 390 N 1.27 0.56 -0.11 1.46 1.57 -1.38 -1.39 116.57 118.56 1np0 h LYS 390 Ca 0.34 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1np0 h LYS 390 Cb -0.10 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.17 1np0 h LYS 390 CO -0.07 0.69 -0.55 0.28 -0.57 0.00 0.00 179.45 179.24 1np0 h VAL 391 N 0.51 1.35 -0.93 0.50 2.07 -1.06 -2.38 116.25 116.32 1np0 h VAL 391 Ca 0.09 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.80 1np0 h VAL 391 Cb 0.54 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1np0 h VAL 391 CO 0.03 0.56 0.60 -0.07 0.02 0.00 0.00 177.57 178.72 1np0 h LEU 392 N 0.18 0.99 -1.11 2.57 3.38 -0.82 -1.25 115.31 119.25 1np0 h LEU 392 Ca -0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1np0 h LEU 392 Cb 1.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1np0 h LEU 392 CO 0.11 0.67 0.13 0.44 0.09 0.00 0.00 178.44 179.88 1np0 h ASP 393 N 1.15 0.70 -0.46 -0.43 3.32 -1.22 -0.10 116.42 119.38 1np0 h ASP 393 Ca 0.38 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1np0 h ASP 393 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1np0 h ASP 393 CO -0.13 0.69 0.07 0.40 -1.72 0.00 0.00 179.24 178.55 1np0 h ILE 394 N 0.74 1.25 -0.44 0.35 2.04 -0.80 -1.52 117.51 119.13 1np0 h ILE 394 Ca 0.17 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1np0 h ILE 394 Cb 0.27 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1np0 h ILE 394 CO -0.00 0.32 0.19 0.40 0.00 0.00 0.00 178.15 179.06 1np0 h ILE 395 N 0.63 1.19 -0.86 -0.67 1.08 -0.79 -2.66 117.51 115.43 1np0 h ILE 395 Ca 0.14 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1np0 h ILE 395 Cb 0.40 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1np0 h ILE 395 CO 0.01 0.22 0.54 0.00 -0.69 0.00 0.00 178.15 178.23 1np0 h ALA 396 N 1.03 1.33 -0.01 1.87 0.00 -0.93 -2.55 119.26 120.00 1np0 h ALA 396 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1np0 h ALA 396 Cb 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1np0 h ALA 396 CO -0.01 0.59 -0.31 1.15 0.00 0.00 0.00 179.25 180.67 1np0 h THR 397 N 1.18 1.23 -0.33 0.00 2.02 -1.05 -1.76 112.91 114.20 1np0 h THR 397 Ca 0.31 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1np0 h THR 397 Cb -0.09 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1np0 h THR 397 CO -0.06 0.32 0.00 2.30 0.37 0.00 0.00 175.52 178.44 1np0 n ILE 398 N -4.16 0.44 -3.44 3.11 -5.35 -1.02 -4.97 119.36 103.98 1np0 n ILE 398 Ca -0.02 -0.47 -0.18 0.00 -0.27 0.00 0.00 62.75 61.81 1np0 n ILE 398 Cb 0.36 0.28 0.09 0.00 -1.74 0.00 0.00 39.64 38.63 1np0 n ILE 398 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1np0 n ASN 399 N 0.55 -2.55 -4.35 7.28 3.02 -0.66 -5.05 115.26 113.50 1np0 n ASN 399 Ca 0.13 -0.61 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 1np0 n ASN 399 Cb 0.32 -5.09 -0.10 0.00 -0.61 0.00 0.00 39.78 34.29 1np0 n ASN 399 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1np0 s LYS 400 N -5.46 1.35 0.38 3.52 -0.14 -0.99 -5.05 119.74 113.35 1np0 s LYS 400 Ca 0.07 -1.57 -0.03 0.00 -1.36 0.00 0.00 55.97 53.08 1np0 s LYS 400 Cb -0.03 -1.23 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 1np0 s LYS 400 CO 0.73 0.22 0.65 0.20 -0.76 0.00 0.00 175.35 176.38 1np0 s GLY 401 N -3.19 1.56 0.02 -3.33 0.00 1.00 -4.13 107.32 99.24 1np0 s GLY 401 Ca 0.22 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.36 1np0 s GLY 401 CO 0.08 -0.52 -0.16 -0.56 0.00 0.00 0.00 173.10 171.93 1np0 s SER 402 N -3.79 3.95 0.07 1.64 0.01 -1.26 -1.95 113.70 112.36 1np0 s SER 402 Ca 0.44 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.44 1np0 s SER 402 Cb -0.10 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 1np0 s SER 402 CO 0.37 0.27 -0.25 -0.63 0.41 0.00 0.00 173.24 173.42 1np0 s ILE 403 N -0.90 2.03 -0.06 1.44 1.01 -0.61 -1.72 121.20 122.39 1np0 s ILE 403 Ca 0.15 -1.45 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 1np0 s ILE 403 Cb -0.11 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.61 1np0 s ILE 403 CO 0.05 0.23 0.19 -0.69 0.00 0.00 0.00 174.94 174.72 1np0 s VAL 404 N -0.90 0.02 0.57 2.92 1.01 -0.51 -0.75 120.40 122.76 1np0 s VAL 404 Ca 0.11 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 1np0 s VAL 404 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1np0 s VAL 404 CO 0.03 -0.08 1.08 0.26 0.00 0.00 0.00 175.10 176.40 1np0 s TRP 405 N -0.22 2.82 0.55 5.22 0.52 -0.40 0.23 118.94 127.66 1np0 s TRP 405 Ca -0.03 1.54 0.32 0.00 0.02 0.00 0.00 56.10 57.95 1np0 s TRP 405 Cb -0.03 -3.13 1.49 0.00 -1.15 0.00 0.00 33.47 30.65 1np0 s TRP 405 CO 0.01 -1.30 1.86 -0.56 0.02 0.00 0.00 176.95 176.97 1np0 h GLN 406 N 0.80 0.00 -0.96 4.98 3.07 -1.63 -2.64 115.11 118.73 1np0 h GLN 406 Ca -0.48 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.40 1np0 h GLN 406 Cb 1.24 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.71 1np0 h GLN 406 CO 0.57 0.00 0.61 0.93 0.09 0.00 0.00 178.83 181.03 1np0 h GLU 407 N 0.00 0.82 -0.89 0.06 3.07 -1.89 0.17 114.58 115.92 1np0 h GLU 407 Ca 0.43 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.26 1np0 h GLU 407 Cb 1.80 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 29.48 1np0 h GLU 407 CO -0.00 0.54 0.58 0.28 -1.40 0.00 0.00 179.01 179.01 1np0 h VAL 408 N 0.85 1.21 -0.10 3.13 2.07 -1.67 0.17 116.25 121.90 1np0 h VAL 408 Ca 0.49 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1np0 h VAL 408 Cb 0.64 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1np0 h VAL 408 CO -0.26 0.22 -0.35 0.15 0.02 0.00 0.00 177.57 177.35 1np0 h PHE 409 N 1.18 0.54 -0.31 1.57 3.57 -1.32 -2.96 116.94 119.21 1np0 h PHE 409 Ca 0.33 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1np0 h PHE 409 Cb -0.10 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1np0 h PHE 409 CO -0.01 0.96 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.57 1np0 h ASP 410 N -0.03 0.45 -0.23 0.41 3.32 -0.41 -2.61 116.42 117.32 1np0 h ASP 410 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1np0 h ASP 410 Cb 0.98 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1np0 h ASP 410 CO 0.07 0.53 0.00 0.47 -1.72 0.00 0.00 179.24 178.59 1np0 n ASP 411 N -4.28 2.54 -1.88 6.45 8.00 0.57 -4.92 116.55 123.02 1np0 n ASP 411 Ca 0.01 -2.28 -0.14 0.00 0.71 0.00 0.00 54.79 53.09 1np0 n ASP 411 Cb 0.24 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1np0 n ASP 411 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1np0 n LYS 412 N 0.25 -2.75 -2.47 -1.24 5.02 -0.98 -4.72 118.16 111.27 1np0 n LYS 412 Ca 0.10 0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 56.64 1np0 n LYS 412 Cb 0.53 -4.73 -0.04 0.00 -0.02 0.00 0.00 35.03 30.78 1np0 n LYS 412 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1np0 s ALA 413 N -2.89 2.95 -0.41 7.82 0.00 -1.12 -5.01 121.76 123.11 1np0 s ALA 413 Ca 0.16 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1np0 s ALA 413 Cb -0.07 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1np0 s ALA 413 CO 0.20 -0.27 0.69 0.15 0.00 0.00 0.00 175.76 176.53 1np0 s LYS 414 N -3.64 3.48 -0.12 0.00 1.02 -1.26 -4.85 119.74 114.37 1np0 s LYS 414 Ca 0.63 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 56.48 1np0 s LYS 414 Cb -0.12 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1np0 s LYS 414 CO 0.25 -0.94 0.03 -0.51 -0.92 0.00 0.00 175.35 173.26 1np0 s LEU 415 N 2.95 3.71 0.47 3.17 1.43 -1.26 -4.85 118.68 124.30 1np0 s LEU 415 Ca 0.26 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.30 1np0 s LEU 415 Cb -0.14 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 1np0 s LEU 415 CO 0.19 0.32 1.09 0.00 0.23 0.00 0.00 176.35 178.18 1np0 s ALA 416 N -0.52 2.90 0.36 4.21 0.00 -1.26 -4.96 121.76 122.49 1np0 s ALA 416 Ca 0.10 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 1np0 s ALA 416 Cb -0.12 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 1np0 s ALA 416 CO 0.02 -0.49 1.34 -2.30 0.00 0.00 0.00 175.76 174.33 1np0 n PRO 417 N -0.73 2.24 0.00 0.00 -0.02 -1.26 -2.49 135.00 132.74 1np0 n PRO 417 Ca 0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1np0 n PRO 417 Cb 0.50 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1np0 n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1np0 n GLY 418 N 0.69 2.34 3.67 -1.23 0.00 -1.26 -5.07 105.19 104.34 1np0 n GLY 418 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1np0 n GLY 418 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1np0 n THR 419 N -0.38 0.61 -3.02 2.61 -1.04 -1.04 -4.79 114.28 107.24 1np0 n THR 419 Ca 0.00 -0.11 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 1np0 n THR 419 Cb 0.00 -2.14 -0.06 0.00 -1.82 0.00 0.00 70.33 66.32 1np0 n THR 419 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1np0 s ILE 420 N 3.87 4.58 -0.19 12.58 1.01 -0.70 -4.14 121.20 138.22 1np0 s ILE 420 Ca 0.88 1.60 -0.03 0.00 0.00 0.00 0.00 60.65 63.10 1np0 s ILE 420 Cb -0.52 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1np0 s ILE 420 CO 0.43 0.46 -0.07 -0.69 0.00 0.00 0.00 174.94 175.07 1np0 s VAL 421 N -0.64 3.33 -0.30 2.92 1.01 -0.71 -1.43 120.40 124.58 1np0 s VAL 421 Ca 0.36 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1np0 s VAL 421 Cb -0.21 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1np0 s VAL 421 CO 0.24 0.46 0.30 -0.70 0.00 0.00 0.00 175.10 175.40 1np0 s GLU 422 N 1.07 3.80 -0.43 2.72 2.12 0.13 -1.54 118.70 126.57 1np0 s GLU 422 Ca 0.01 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.84 1np0 s GLU 422 Cb -0.15 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.54 1np0 s GLU 422 CO -0.01 -0.34 0.68 0.08 -0.54 0.00 0.00 175.26 175.13 1np0 s VAL 423 N 1.92 4.79 -0.11 3.70 1.01 0.40 -1.59 120.40 130.52 1np0 s VAL 423 Ca 0.11 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.41 1np0 s VAL 423 Cb -0.16 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1np0 s VAL 423 CO 0.11 -0.58 0.17 -2.67 0.00 0.00 0.00 175.10 172.13 1np0 n TRP 424 N 6.33 0.00 -2.68 5.22 4.27 -1.26 -0.97 117.44 128.36 1np0 n TRP 424 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1np0 n TRP 424 Cb 0.48 -0.08 -0.02 0.00 -1.36 0.00 0.00 31.31 30.33 1np0 n TRP 424 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1np0 s LYS 425 N -2.03 4.35 0.54 -2.67 1.02 -1.26 -4.01 119.74 115.67 1np0 s LYS 425 Ca -0.00 1.37 0.32 0.00 0.02 0.00 0.00 55.97 57.68 1np0 s LYS 425 Cb 0.04 -3.59 1.39 0.00 -0.52 0.00 0.00 37.83 35.15 1np0 s LYS 425 CO 0.23 -0.46 2.00 0.22 -0.92 0.00 0.00 175.35 176.42 1np0 h ASP 426 N 7.27 0.00 -2.94 2.83 3.58 -1.95 -3.37 116.42 121.84 1np0 h ASP 426 Ca -0.25 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.63 1np0 h ASP 426 Cb 1.11 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 1np0 h ASP 426 CO 0.91 0.06 0.89 -0.44 -2.88 0.00 0.00 179.24 177.78 1np0 s SER 427 N -5.81 6.97 -1.58 2.28 0.01 -1.26 -3.92 113.70 110.39 1np0 s SER 427 Ca -0.00 1.64 -0.15 0.00 1.31 0.00 0.00 55.95 58.74 1np0 s SER 427 Cb 0.10 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.90 1np0 s SER 427 CO 0.56 -0.75 0.92 0.00 0.41 0.00 0.00 173.24 174.38 1np0 n ALA 428 N 6.56 -1.26 -0.14 1.44 0.00 -1.26 -4.90 120.51 120.95 1np0 n ALA 428 Ca 0.14 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 1np0 n ALA 428 Cb 0.45 -4.20 0.25 0.00 0.00 0.00 0.00 19.45 15.94 1np0 n ALA 428 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1np0 h TYR 429 N -1.89 0.83 -0.52 0.00 -0.00 -1.72 -2.43 116.97 111.24 1np0 h TYR 429 Ca -0.58 -0.03 0.05 0.00 0.00 0.00 0.00 58.73 58.18 1np0 h TYR 429 Cb 1.38 -0.26 -0.05 0.00 0.00 0.00 0.00 36.73 37.80 1np0 h TYR 429 CO 0.59 0.61 0.24 -1.35 -0.00 0.00 0.00 178.16 178.26 1np0 h PRO 430 N 0.84 0.46 0.00 0.10 0.11 -1.90 0.23 132.00 131.83 1np0 h PRO 430 Ca 0.21 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1np0 h PRO 430 Cb 0.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1np0 h PRO 430 CO -0.03 0.30 -0.15 0.93 -0.21 0.00 0.00 178.00 178.84 1np0 h GLU 431 N 0.47 0.00 -0.37 1.05 4.39 -1.87 -0.12 114.58 118.14 1np0 h GLU 431 Ca 0.24 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 1np0 h GLU 431 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1np0 h GLU 431 CO -0.19 0.15 0.04 0.93 -1.16 0.00 0.00 179.01 178.78 1np0 h GLU 432 N 0.00 0.62 -0.65 2.33 4.39 -0.83 -1.78 114.58 118.66 1np0 h GLU 432 Ca -0.00 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1np0 h GLU 432 Cb 0.28 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1np0 h GLU 432 CO 0.02 0.70 0.40 -0.07 -1.16 0.00 0.00 179.01 178.90 1np0 h LEU 433 N 0.45 0.64 0.08 1.33 3.38 0.36 -1.45 115.31 120.10 1np0 h LEU 433 Ca 0.11 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1np0 h LEU 433 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1np0 h LEU 433 CO 0.01 0.44 -0.09 0.28 0.09 0.00 0.00 178.44 179.17 1np0 h SER 434 N 0.77 -0.25 -0.14 -0.43 0.02 -0.97 -1.79 113.55 110.77 1np0 h SER 434 Ca 0.27 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1np0 h SER 434 Cb 0.04 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1np0 h SER 434 CO -0.11 -0.15 -0.02 0.03 -1.14 0.00 0.00 176.83 175.44 1np0 h ARG 435 N -0.20 0.02 -0.29 3.45 3.08 -1.10 0.19 114.38 119.54 1np0 h ARG 435 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1np0 h ARG 435 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1np0 h ARG 435 CO -0.04 0.02 0.19 0.28 -1.07 0.00 0.00 179.97 179.34 1np0 h VAL 436 N 0.02 1.08 -0.20 2.04 2.07 -1.21 -1.93 116.25 118.12 1np0 h VAL 436 Ca 0.06 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1np0 h VAL 436 Cb 0.09 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1np0 h VAL 436 CO -0.12 0.08 -0.37 0.71 0.02 0.00 0.00 177.57 177.89 1np0 h THR 437 N 0.38 1.33 -0.83 2.57 1.35 -1.17 -2.51 112.91 114.03 1np0 h THR 437 Ca 0.11 -1.59 0.14 0.00 -0.55 0.00 0.00 66.41 64.51 1np0 h THR 437 Cb -0.03 1.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.17 1np0 h THR 437 CO -0.02 0.49 0.54 0.00 -0.25 0.00 0.00 175.52 176.28 1np0 h ALA 438 N 0.61 1.93 0.00 6.62 0.00 -0.51 0.71 119.26 128.62 1np0 h ALA 438 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1np0 h ALA 438 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1np0 h ALA 438 CO 0.08 -0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.61 1np0 n SER 439 N -4.52 0.00 0.00 0.00 7.64 -0.73 -4.90 113.62 111.10 1np0 n SER 439 Ca 0.16 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1np0 n SER 439 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1np0 n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1np0 n GLY 440 N 0.64 0.66 3.84 0.23 0.00 0.24 -5.08 105.19 105.73 1np0 n GLY 440 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1np0 n GLY 440 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np0 s PHE 441 N -2.54 3.69 0.43 1.61 0.08 -0.96 -4.85 117.98 115.44 1np0 s PHE 441 Ca 0.00 1.01 -0.25 0.00 0.12 0.00 0.00 56.93 57.80 1np0 s PHE 441 Cb 0.00 -2.31 -0.08 0.00 -0.57 0.00 0.00 43.02 40.06 1np0 s PHE 441 CO 0.00 0.58 1.32 -2.14 -0.10 0.00 0.00 175.22 174.88 1np0 s PRO 442 N -1.38 3.85 0.03 0.24 0.02 -1.26 -4.15 135.00 132.35 1np0 s PRO 442 Ca 0.29 2.19 0.05 0.00 0.02 0.00 0.00 61.00 63.54 1np0 s PRO 442 Cb -0.16 -2.69 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 1np0 s PRO 442 CO 0.16 -0.60 -0.14 0.54 -0.33 0.00 0.00 177.00 176.63 1np0 s VAL 443 N -1.27 1.13 -0.06 3.83 0.11 -0.44 -1.73 120.40 121.97 1np0 s VAL 443 Ca 0.59 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1np0 s VAL 443 Cb -0.39 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1np0 s VAL 443 CO 0.49 0.08 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.48 1np0 s ILE 444 N -0.74 2.27 -0.19 7.04 1.01 -0.59 -1.80 121.20 128.21 1np0 s ILE 444 Ca 0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1np0 s ILE 444 Cb -0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1np0 s ILE 444 CO 0.01 0.57 0.06 -0.22 0.00 0.00 0.00 174.94 175.36 1np0 s LEU 445 N -0.23 3.79 0.00 2.97 2.96 -0.42 -0.45 118.68 127.31 1np0 s LEU 445 Ca -0.01 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1np0 s LEU 445 Cb -0.13 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1np0 s LEU 445 CO 0.03 0.16 0.00 -1.54 -1.32 0.00 0.00 176.35 173.68 1np0 n SER 446 N 3.61 2.40 -0.31 3.68 3.41 -0.14 -1.46 113.62 124.81 1np0 n SER 446 Ca -0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1np0 n SER 446 Cb 0.52 0.58 0.07 0.00 -0.26 0.00 0.00 64.21 65.12 1np0 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1np0 h ALA 447 N 0.00 0.31 -0.10 7.33 0.00 -1.39 -0.82 119.26 124.60 1np0 h ALA 447 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1np0 h ALA 447 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1np0 h ALA 447 CO 0.00 -0.53 0.00 -0.35 0.00 0.00 0.00 179.25 178.37 1np0 n PRO 448 N -5.51 1.42 -2.57 0.00 -0.04 -1.26 -4.18 135.00 122.86 1np0 n PRO 448 Ca 0.10 -0.64 -0.23 0.00 -0.04 0.00 0.00 63.50 62.69 1np0 n PRO 448 Cb 0.41 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1np0 n PRO 448 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1np0 n TRP 449 N -0.13 2.96 -2.97 0.54 8.01 -0.31 -4.81 117.44 120.73 1np0 n TRP 449 Ca 0.15 -3.15 -0.44 0.00 -1.31 0.00 0.00 57.50 52.75 1np0 n TRP 449 Cb 0.22 -0.18 -0.03 0.00 -2.01 0.00 0.00 31.31 29.30 1np0 n TRP 449 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1np0 s TYR 450 N -3.43 3.03 -0.28 -5.99 1.51 -1.26 -1.09 117.35 109.85 1np0 s TYR 450 Ca 0.44 -1.15 0.28 0.00 -1.01 0.00 0.00 57.07 55.62 1np0 s TYR 450 Cb 0.40 -4.20 0.92 0.00 -0.11 0.00 0.00 41.96 38.97 1np0 s TYR 450 CO -0.14 -1.46 1.80 -0.07 -1.11 0.00 0.00 175.55 174.57 1np0 h LEU 451 N 10.37 0.00 -1.51 -1.29 3.38 -0.96 -2.13 115.31 123.18 1np0 h LEU 451 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1np0 h LEU 451 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1np0 h LEU 451 CO 1.10 0.00 -0.23 -2.24 0.09 0.00 0.00 178.44 177.16 1np0 h ASP 452 N 0.00 0.00 -1.16 -0.43 2.03 -1.83 -3.36 116.42 111.67 1np0 h ASP 452 Ca 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 1np0 h ASP 452 Cb 0.66 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.06 1np0 h ASP 452 CO 0.00 0.23 1.97 -0.76 -1.03 0.00 0.00 179.24 179.65 1np0 s LEU 453 N -7.46 4.06 0.61 0.15 1.43 -0.80 -4.97 118.68 111.70 1np0 s LEU 453 Ca -0.02 -2.47 -0.15 0.00 -1.03 0.00 0.00 54.13 50.46 1np0 s LEU 453 Cb 0.13 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1np0 s LEU 453 CO 0.64 -1.11 1.06 0.27 0.23 0.00 0.00 176.35 177.44 1np0 s ILE 454 N 3.76 3.85 0.23 -0.59 -4.36 -1.26 -4.99 121.20 117.84 1np0 s ILE 454 Ca 0.51 0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 61.54 1np0 s ILE 454 Cb 0.02 -3.38 0.02 0.00 1.25 0.00 0.00 42.46 40.37 1np0 s ILE 454 CO 0.05 -0.56 0.60 -0.94 0.24 0.00 0.00 174.94 174.33 1np0 s SER 455 N -2.96 -0.27 0.35 4.36 1.04 -1.26 -5.15 113.70 109.81 1np0 s SER 455 Ca 0.63 -0.55 -0.27 0.00 0.48 0.00 0.00 55.95 56.23 1np0 s SER 455 Cb -0.16 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.51 1np0 s SER 455 CO 0.40 -1.18 1.17 -0.47 0.98 0.00 0.00 173.24 174.15 1np0 s TYR 456 N -3.90 3.23 0.00 5.02 5.04 -1.26 -4.83 117.35 120.65 1np0 s TYR 456 Ca 0.11 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1np0 s TYR 456 Cb -0.03 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.86 1np0 s TYR 456 CO 0.02 -1.18 0.00 0.41 -1.34 0.00 0.00 175.55 173.46 1np0 n GLY 457 N 0.83 -1.79 2.69 8.97 0.00 -1.26 -4.61 105.19 110.03 1np0 n GLY 457 Ca 0.02 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1np0 n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1np0 n GLN 458 N 0.00 2.96 0.00 1.61 6.02 -1.26 -4.68 117.38 122.04 1np0 n GLN 458 Ca 0.00 -2.59 0.10 0.00 -0.01 0.00 0.00 57.00 54.50 1np0 n GLN 458 Cb 0.00 -3.23 0.44 0.00 1.02 0.00 0.00 30.24 28.47 1np0 n GLN 458 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1np0 n ASP 459 N 5.77 0.01 0.02 1.08 5.75 -1.26 -2.70 116.55 125.22 1np0 n ASP 459 Ca 0.54 0.50 0.10 0.00 -0.01 0.00 0.00 54.79 55.92 1np0 n ASP 459 Cb 0.37 -0.51 0.52 0.00 -1.03 0.00 0.00 41.12 40.48 1np0 n ASP 459 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1np0 h TRP 460 N 0.00 0.33 -0.48 2.11 5.08 -1.90 -2.86 115.95 118.22 1np0 h TRP 460 Ca 0.00 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.91 1np0 h TRP 460 Cb 0.36 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 26.39 1np0 h TRP 460 CO 0.00 0.18 0.03 0.00 -1.28 0.00 0.00 178.44 177.37 1np0 h ARG 461 N 0.33 0.84 -0.40 0.12 3.08 -1.92 -0.55 114.38 115.88 1np0 h ARG 461 Ca 0.18 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1np0 h ARG 461 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1np0 h ARG 461 CO -0.04 0.87 -0.11 1.57 -1.07 0.00 0.00 179.97 181.19 1np0 h LYS 462 N 0.70 0.70 -0.32 0.04 2.10 -1.70 0.21 116.57 118.30 1np0 h LYS 462 Ca 0.14 -0.22 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 1np0 h LYS 462 Cb 0.47 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1np0 h LYS 462 CO 0.02 0.79 -0.35 1.88 -2.00 0.00 0.00 179.45 179.79 1np0 h TYR 463 N 0.64 0.85 -0.34 0.07 0.05 -1.41 -3.18 116.97 113.65 1np0 h TYR 463 Ca 0.11 -0.23 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 1np0 h TYR 463 Cb 0.56 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1np0 h TYR 463 CO 0.03 0.97 -0.40 -0.92 -1.05 0.00 0.00 178.16 176.79 1np0 h TYR 464 N 0.60 1.00 0.00 4.88 3.20 -0.66 -3.20 116.97 122.80 1np0 h TYR 464 Ca 0.06 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1np0 h TYR 464 Cb 0.87 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1np0 h TYR 464 CO 0.04 1.09 0.00 1.63 -1.64 0.00 0.00 178.16 179.29 1np0 n LYS 465 N -4.05 0.00 -1.98 1.82 5.02 0.71 -4.79 118.16 114.90 1np0 n LYS 465 Ca -0.02 0.20 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 1np0 n LYS 465 Cb 0.54 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1np0 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1np0 s VAL 466 N -3.00 2.67 -0.38 -0.18 1.01 -1.21 -4.98 120.40 114.33 1np0 s VAL 466 Ca 0.08 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 1np0 s VAL 466 Cb 0.11 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 33.25 1np0 s VAL 466 CO 0.31 0.06 0.16 -0.70 0.00 0.00 0.00 175.10 174.94 1np0 s GLU 467 N 0.48 2.27 0.50 2.72 2.56 -1.26 -5.01 118.70 120.96 1np0 s GLU 467 Ca 0.65 -1.57 0.24 0.00 0.00 0.00 0.00 54.97 54.29 1np0 s GLU 467 Cb -0.43 -3.53 1.34 0.00 2.00 0.00 0.00 34.13 33.51 1np0 s GLU 467 CO 0.36 -0.92 2.05 -1.35 -0.56 0.00 0.00 175.26 174.84 1np0 h PRO 468 N 8.13 0.00 -0.29 4.30 0.11 -1.95 -2.38 132.00 139.92 1np0 h PRO 468 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1np0 h PRO 468 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1np0 h PRO 468 CO 0.67 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 1np0 n LEU 469 N -3.77 1.67 -4.08 2.35 4.77 -1.26 -4.54 117.00 112.13 1np0 n LEU 469 Ca -0.02 -0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 54.72 1np0 n LEU 469 Cb 0.25 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1np0 n LEU 469 CO 0.31 0.41 2.05 0.47 -1.33 0.00 0.00 177.39 179.31 1np0 n ASP 470 N 0.40 4.75 -4.15 -1.43 8.00 -0.90 -4.83 116.55 118.38 1np0 n ASP 470 Ca 0.11 -2.97 -0.11 0.00 0.71 0.00 0.00 54.79 52.53 1np0 n ASP 470 Cb 0.27 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.12 39.68 1np0 n ASP 470 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1np0 s PHE 471 N 2.12 0.94 -0.03 1.24 -0.12 -1.26 -4.87 117.98 116.00 1np0 s PHE 471 Ca 0.45 -1.25 -0.24 0.00 -0.05 0.00 0.00 56.93 55.84 1np0 s PHE 471 Cb 0.07 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1np0 s PHE 471 CO -0.01 -0.60 0.75 0.20 -0.05 0.00 0.00 175.22 175.50 1np0 s GLY 472 N -3.09 2.70 0.00 1.99 0.00 -1.26 -5.00 107.32 102.65 1np0 s GLY 472 Ca 0.30 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1np0 s GLY 472 CO 0.06 1.21 0.00 0.61 0.00 0.00 0.00 173.10 174.98 1np0 n GLY 473 N 2.90 2.17 3.76 0.20 0.00 -1.26 -4.46 105.19 108.50 1np0 n GLY 473 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1np0 n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1np0 s THR 474 N -2.00 1.99 0.25 2.61 -4.23 -1.26 -4.84 115.64 108.16 1np0 s THR 474 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1np0 s THR 474 Cb 0.00 -2.69 0.23 0.00 1.34 0.00 0.00 72.50 71.39 1np0 s THR 474 CO 0.00 0.00 1.83 1.56 -0.54 0.00 0.00 174.62 177.47 1np0 h GLN 475 N -1.62 0.87 -0.58 3.99 4.20 -2.01 -1.89 115.11 118.07 1np0 h GLN 475 Ca -0.51 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.21 1np0 h GLN 475 Cb 1.33 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 1np0 h GLN 475 CO 0.60 0.58 0.26 -0.22 -0.67 0.00 0.00 178.83 179.38 1np0 h LYS 476 N 0.90 0.47 -0.69 1.46 3.64 -1.99 0.23 116.57 120.59 1np0 h LYS 476 Ca 0.42 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1np0 h LYS 476 Cb 0.34 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1np0 h LYS 476 CO -0.23 0.31 0.19 1.96 -2.27 0.00 0.00 179.45 179.41 1np0 h GLN 477 N 0.48 1.07 0.00 1.90 4.20 -1.75 -2.83 115.11 118.18 1np0 h GLN 477 Ca 0.27 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1np0 h GLN 477 Cb 0.26 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1np0 h GLN 477 CO -0.23 0.93 -0.49 0.87 -0.67 0.00 0.00 178.83 179.25 1np0 h LYS 478 N 1.03 0.00 0.00 1.46 1.57 -0.50 -2.20 116.57 117.92 1np0 h LYS 478 Ca 0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1np0 h LYS 478 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1np0 h LYS 478 CO -0.00 0.49 -0.21 1.96 -0.57 0.00 0.00 179.45 181.11 1np0 h GLN 479 N 0.00 0.00 0.00 3.15 4.20 -0.38 -2.72 115.11 119.36 1np0 h GLN 479 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1np0 h GLN 479 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1np0 h GLN 479 CO 0.06 0.21 0.00 -0.07 -0.67 0.00 0.00 178.83 178.36 1np0 h LEU 480 N 0.00 0.00 -8.67 1.46 3.38 -1.16 -3.42 115.31 106.90 1np0 h LEU 480 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 1np0 h LEU 480 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1np0 h LEU 480 CO 0.03 0.00 1.09 0.12 0.09 0.00 0.00 178.44 179.77 1np0 s PHE 481 N -3.42 2.32 -1.29 1.13 2.19 -1.03 -1.33 117.98 116.55 1np0 s PHE 481 Ca 0.04 0.57 0.22 0.00 0.33 0.00 0.00 56.93 58.09 1np0 s PHE 481 Cb 0.09 -4.35 -0.02 0.00 -1.31 0.00 0.00 43.02 37.43 1np0 s PHE 481 CO 0.51 -1.98 1.05 0.44 1.83 0.00 0.00 175.22 177.07 1np0 n ILE 482 N 6.97 0.00 -0.06 3.12 -5.35 -0.74 -4.95 119.36 118.34 1np0 n ILE 482 Ca 0.14 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1np0 n ILE 482 Cb 0.49 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1np0 n ILE 482 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1np0 n GLY 483 N 1.47 -0.01 3.83 3.28 0.00 -1.25 -1.83 105.19 110.68 1np0 n GLY 483 Ca 0.06 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 1np0 n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1np0 s GLY 484 N 0.00 0.07 0.00 -0.02 0.00 -0.26 -1.29 107.32 105.82 1np0 s GLY 484 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1np0 s GLY 484 CO 0.00 0.21 -0.02 -0.54 0.00 0.00 0.00 173.10 172.76 1np0 s GLU 485 N -3.00 0.13 -0.25 2.90 2.02 -0.53 -0.62 118.70 119.35 1np0 s GLU 485 Ca 0.14 -0.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.90 1np0 s GLU 485 Cb -0.04 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 1np0 s GLU 485 CO 0.07 0.03 0.37 0.00 0.02 0.00 0.00 175.26 175.75 1np0 s ALA 486 N -0.12 3.57 -0.17 5.21 0.00 -0.08 -4.36 121.76 125.81 1np0 s ALA 486 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1np0 s ALA 486 Cb -0.01 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1np0 s ALA 486 CO -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 175.76 175.25 1np0 s LEU 488 N 0.35 4.91 0.66 0.00 2.96 -0.48 -0.22 118.68 126.86 1np0 s LEU 488 Ca 0.01 -3.73 -0.17 0.00 -0.22 0.00 0.00 54.13 50.03 1np0 s LEU 488 Cb -0.13 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1np0 s LEU 488 CO 0.01 -0.12 1.20 0.26 -1.32 0.00 0.00 176.35 176.37 1np0 s TRP 489 N -1.29 2.27 -2.68 5.38 0.52 -1.26 -3.88 118.94 118.00 1np0 s TRP 489 Ca 0.24 1.55 0.24 0.00 0.02 0.00 0.00 56.10 58.16 1np0 s TRP 489 Cb -0.08 -3.44 0.43 0.00 -1.15 0.00 0.00 33.47 29.24 1np0 s TRP 489 CO -0.14 -2.33 1.40 0.41 0.02 0.00 0.00 176.95 176.31 1np0 n GLY 490 N 0.32 1.08 0.36 0.98 0.00 -1.26 -4.50 105.19 102.17 1np0 n GLY 490 Ca 0.13 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1np0 n GLY 490 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1np0 h GLU 491 N 4.10 0.66 -0.05 1.61 3.07 -1.93 -2.63 114.58 119.41 1np0 h GLU 491 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1np0 h GLU 491 Cb 0.89 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1np0 h GLU 491 CO 0.00 0.43 0.00 0.66 -1.40 0.00 0.00 179.01 178.70 1np0 n TYR 492 N -4.73 0.08 -5.17 4.33 4.01 -1.26 -4.97 117.16 109.45 1np0 n TYR 492 Ca 0.23 -0.61 -0.31 0.00 -0.16 0.00 0.00 57.90 57.06 1np0 n TYR 492 Cb 0.63 -0.07 -0.17 0.00 -0.31 0.00 0.00 39.34 39.42 1np0 n TYR 492 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1np0 s VAL 493 N -1.41 1.96 0.00 -0.72 1.01 -0.99 -4.98 120.40 115.26 1np0 s VAL 493 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1np0 s VAL 493 Cb 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1np0 s VAL 493 CO 0.03 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 174.77 1np0 n ASP 494 N 3.34 0.00 0.06 3.32 5.75 -1.26 -4.51 116.55 123.25 1np0 n ASP 494 Ca -0.19 -0.47 0.14 0.00 -0.01 0.00 0.00 54.79 54.26 1np0 n ASP 494 Cb 0.53 0.00 0.63 0.00 -1.03 0.00 0.00 41.12 41.25 1np0 n ASP 494 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1np0 h ALA 495 N 1.26 2.23 0.00 2.12 0.00 -1.97 -0.67 119.26 122.23 1np0 h ALA 495 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1np0 h ALA 495 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1np0 h ALA 495 CO 0.00 -0.33 -0.27 1.79 0.00 0.00 0.00 179.25 180.44 1np0 h THR 496 N 0.10 0.79 0.00 0.00 1.35 -1.99 -3.37 112.91 109.78 1np0 h THR 496 Ca 0.18 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1np0 h THR 496 Cb 0.58 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1np0 h THR 496 CO -0.02 0.26 0.00 -0.46 -0.25 0.00 0.00 175.52 175.05 1np0 n ASN 497 N -3.64 0.24 0.20 5.36 6.94 -0.93 -4.92 115.26 118.51 1np0 n ASN 497 Ca -0.01 -0.77 -0.15 0.00 -0.02 0.00 0.00 54.58 53.63 1np0 n ASN 497 Cb 0.39 0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.83 1np0 n ASN 497 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1np0 h LEU 498 N 0.00 -0.74 0.32 -4.53 6.46 -1.31 -2.66 115.31 112.85 1np0 h LEU 498 Ca 0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1np0 h LEU 498 Cb 0.24 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1np0 h LEU 498 CO 0.00 -0.41 -0.15 0.74 -0.62 0.00 0.00 178.44 178.00 1np0 h THR 499 N -0.61 0.70 -0.72 1.05 2.02 -1.85 0.32 112.91 113.82 1np0 h THR 499 Ca -0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1np0 h THR 499 Cb 0.55 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1np0 h THR 499 CO -0.04 0.01 0.43 -0.65 0.37 0.00 0.00 175.52 175.64 1np0 h PRO 500 N -0.45 0.97 -0.51 6.66 0.11 -1.63 -0.78 132.00 136.37 1np0 h PRO 500 Ca -0.04 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 1np0 h PRO 500 Cb 0.34 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1np0 h PRO 500 CO 0.07 0.68 0.01 -0.09 -0.21 0.00 0.00 178.00 178.47 1np0 h ARG 501 N 0.99 0.89 -0.09 1.05 2.43 -1.18 -3.32 114.38 115.15 1np0 h ARG 501 Ca 0.26 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1np0 h ARG 501 Cb -0.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1np0 h ARG 501 CO -0.05 0.92 -0.22 1.25 -1.51 0.00 0.00 179.97 180.35 1np0 h LEU 502 N 0.76 0.35 -8.81 3.80 6.46 -0.63 -3.42 115.31 113.83 1np0 h LEU 502 Ca 0.15 -0.58 -0.69 0.00 -0.12 0.00 0.00 57.88 56.64 1np0 h LEU 502 Cb 0.50 -0.10 -0.25 0.00 -0.73 0.00 0.00 40.66 40.08 1np0 h LEU 502 CO 0.02 0.87 -0.79 0.26 -0.62 0.00 0.00 178.44 178.19 1np0 s TRP 503 N -3.89 2.67 -1.00 1.25 0.52 -0.32 -0.71 118.94 117.45 1np0 s TRP 503 Ca -0.14 -0.29 0.12 0.00 0.02 0.00 0.00 56.10 55.80 1np0 s TRP 503 Cb 0.04 -1.65 0.55 0.00 -1.15 0.00 0.00 33.47 31.26 1np0 s TRP 503 CO 0.76 0.08 1.39 -0.35 0.02 0.00 0.00 176.95 178.85 1np0 n PRO 504 N 2.55 3.26 -0.27 4.98 -0.04 -1.26 -1.41 135.00 142.81 1np0 n PRO 504 Ca -0.17 -2.14 0.02 0.00 -0.04 0.00 0.00 63.50 61.17 1np0 n PRO 504 Cb 0.52 -1.83 0.23 0.00 -0.04 0.00 0.00 33.50 32.38 1np0 n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1np0 h ARG 505 N 2.95 1.02 0.00 0.54 3.08 -1.77 -1.10 114.38 119.10 1np0 h ARG 505 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1np0 h ARG 505 Cb 1.27 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1np0 h ARG 505 CO 0.23 0.68 -0.11 0.00 -1.07 0.00 0.00 179.97 179.70 1np0 h ALA 506 N 1.50 1.07 0.00 0.04 0.00 -1.23 -2.77 119.26 117.87 1np0 h ALA 506 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1np0 h ALA 506 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1np0 h ALA 506 CO -0.10 0.14 -0.14 0.77 0.00 0.00 0.00 179.25 179.91 1np0 h SER 507 N 0.00 0.00 -0.49 0.00 0.02 -1.44 -1.79 113.55 109.84 1np0 h SER 507 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1np0 h SER 507 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1np0 h SER 507 CO 0.01 0.14 0.25 0.00 -1.14 0.00 0.00 176.83 176.10 1np0 h ALA 508 N 1.86 0.63 -0.32 3.77 0.00 -1.51 -2.38 119.26 121.30 1np0 h ALA 508 Ca -0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1np0 h ALA 508 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1np0 h ALA 508 CO 0.02 0.17 -0.36 0.28 0.00 0.00 0.00 179.25 179.36 1np0 h VAL 509 N 0.65 1.28 -0.73 0.00 2.07 -1.61 -2.63 116.25 115.28 1np0 h VAL 509 Ca 0.17 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1np0 h VAL 509 Cb 0.08 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1np0 h VAL 509 CO -0.02 0.50 0.39 1.23 0.02 0.00 0.00 177.57 179.69 1np0 h GLY 510 N 0.95 1.08 0.78 2.17 0.00 -1.11 -0.19 103.07 106.74 1np0 h GLY 510 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1np0 h GLY 510 CO 0.08 0.46 -0.43 -2.09 0.00 0.00 0.00 176.54 174.57 1np0 h GLU 511 N 1.02 0.42 -0.74 4.80 4.81 -1.39 -0.85 114.58 122.66 1np0 h GLU 511 Ca 0.26 -0.35 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1np0 h GLU 511 Cb 0.03 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1np0 h GLU 511 CO -0.04 0.99 0.48 -0.09 -0.73 0.00 0.00 179.01 179.63 1np0 h ARG 512 N -0.03 0.73 0.00 1.92 9.65 -1.23 0.24 114.38 125.66 1np0 h ARG 512 Ca -0.03 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.69 1np0 h ARG 512 Cb 1.08 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 1np0 h ARG 512 CO 0.09 0.49 -0.82 -0.07 2.80 0.00 0.00 179.97 182.45 1np0 h LEU 513 N 0.76 0.00 0.00 3.80 3.38 -1.02 -3.40 115.31 118.83 1np0 h LEU 513 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1np0 h LEU 513 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1np0 h LEU 513 CO -0.11 0.47 -0.55 1.87 0.09 0.00 0.00 178.44 180.21 1np0 n TRP 514 N -3.07 0.92 -1.19 1.13 -0.00 -0.33 -2.18 117.44 112.72 1np0 n TRP 514 Ca -0.02 0.40 -0.29 0.00 -0.00 0.00 0.00 57.50 57.59 1np0 n TRP 514 Cb 0.75 -0.78 0.18 0.00 -0.00 0.00 0.00 31.31 31.45 1np0 n TRP 514 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1np0 s SER 515 N -5.78 2.61 0.69 5.87 0.01 0.78 -0.25 113.70 117.63 1np0 s SER 515 Ca -0.16 1.15 -0.17 0.00 1.31 0.00 0.00 55.95 58.08 1np0 s SER 515 Cb 0.02 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.46 1np0 s SER 515 CO 0.24 -3.14 1.24 -0.44 0.41 0.00 0.00 173.24 171.55 1np0 s SER 516 N -3.51 4.45 0.31 2.44 0.01 -1.26 -4.60 113.70 111.54 1np0 s SER 516 Ca 0.65 2.46 0.06 0.00 1.31 0.00 0.00 55.95 60.43 1np0 s SER 516 Cb -0.18 -2.60 0.71 0.00 0.21 0.00 0.00 66.02 64.15 1np0 s SER 516 CO 0.57 -2.10 1.82 0.50 0.41 0.00 0.00 173.24 174.44 1np0 h LYS 517 N 0.14 0.79 -0.01 12.44 3.64 -1.94 -2.09 116.57 129.54 1np0 h LYS 517 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1np0 h LYS 517 Cb 1.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1np0 h LYS 517 CO 0.51 0.53 -0.01 -0.40 -2.27 0.00 0.00 179.45 177.80 1np0 n ASP 518 N -4.65 0.58 -4.55 4.20 5.68 -1.26 -4.61 116.55 111.93 1np0 n ASP 518 Ca 0.20 -1.10 -0.40 0.00 -0.50 0.00 0.00 54.79 52.99 1np0 n ASP 518 Cb 0.48 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 1np0 n ASP 518 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1np0 s VAL 519 N -2.07 3.76 0.00 2.12 1.01 -0.79 -4.66 120.40 119.76 1np0 s VAL 519 Ca 0.42 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1np0 s VAL 519 Cb 0.21 -4.87 0.08 0.00 0.00 0.00 0.00 36.38 31.80 1np0 s VAL 519 CO 0.37 -1.79 0.87 -2.11 0.00 0.00 0.00 175.10 172.45 1np0 n ARG 520 N 9.16 0.00 -2.18 2.72 1.85 -1.26 -4.94 116.66 122.00 1np0 n ARG 520 Ca 0.17 -0.86 -0.43 0.00 -1.00 0.00 0.00 57.85 55.73 1np0 n ARG 520 Cb 0.50 -0.08 -0.02 0.00 -1.05 0.00 0.00 32.46 31.81 1np0 n ARG 520 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1np0 s ASP 521 N -0.86 6.42 0.13 2.89 2.15 -1.26 -4.90 116.67 121.23 1np0 s ASP 521 Ca 0.06 1.48 -0.14 0.00 0.43 0.00 0.00 52.55 54.38 1np0 s ASP 521 Cb 0.07 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1np0 s ASP 521 CO -0.03 -1.25 1.60 0.24 -0.17 0.00 0.00 175.17 175.56 1np0 h MET 522 N 10.51 0.72 -0.54 4.34 2.86 -1.98 -0.45 114.93 130.39 1np0 h MET 522 Ca -0.32 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 1np0 h MET 522 Cb 1.14 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1np0 h MET 522 CO 1.01 0.78 0.31 -0.44 1.06 0.00 0.00 176.91 179.63 1np0 h ASP 523 N 0.57 0.66 -0.37 1.22 3.32 -1.99 0.48 116.42 120.30 1np0 h ASP 523 Ca 0.13 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1np0 h ASP 523 Cb 0.42 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1np0 h ASP 523 CO 0.01 0.54 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.16 1np0 h ASP 524 N 0.72 0.82 -0.73 6.45 3.58 -1.94 -1.02 116.42 124.30 1np0 h ASP 524 Ca 0.19 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 1np0 h ASP 524 Cb 0.02 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1np0 h ASP 524 CO -0.03 0.97 0.25 0.00 -2.88 0.00 0.00 179.24 177.55 1np0 h ALA 525 N 1.10 0.95 -0.39 -0.78 0.00 -0.67 -1.46 119.26 118.00 1np0 h ALA 525 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1np0 h ALA 525 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1np0 h ALA 525 CO 0.04 0.60 0.08 -0.92 0.00 0.00 0.00 179.25 179.06 1np0 h TYR 526 N 1.06 0.68 0.02 0.00 3.20 -0.65 -0.37 116.97 120.90 1np0 h TYR 526 Ca 0.24 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1np0 h TYR 526 Cb 0.27 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1np0 h TYR 526 CO 0.02 0.66 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.69 1np0 h ASP 527 N 0.50 -0.21 0.31 -2.11 3.32 -0.90 -2.27 116.42 115.06 1np0 h ASP 527 Ca 0.12 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 1np0 h ASP 527 Cb 0.34 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1np0 h ASP 527 CO 0.00 -0.11 -0.63 0.03 -1.72 0.00 0.00 179.24 176.81 1np0 h ARG 528 N -0.14 0.30 -0.10 3.56 3.08 -1.25 -3.20 114.38 116.62 1np0 h ARG 528 Ca 0.02 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.67 1np0 h ARG 528 Cb 0.17 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1np0 h ARG 528 CO -0.06 0.83 -0.71 1.25 -1.07 0.00 0.00 179.97 180.21 1np0 h LEU 529 N 0.22 0.55 -0.81 3.04 5.85 -0.95 0.12 115.31 123.33 1np0 h LEU 529 Ca -0.01 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1np0 h LEU 529 Cb 1.15 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1np0 h LEU 529 CO 0.10 1.09 0.35 0.71 -0.34 0.00 0.00 178.44 180.36 1np0 h THR 530 N 0.33 1.26 -0.25 1.05 1.35 -1.48 0.30 112.91 115.46 1np0 h THR 530 Ca -0.03 -0.78 -0.12 0.00 -0.55 0.00 0.00 66.41 64.93 1np0 h THR 530 Cb 1.28 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1np0 h THR 530 CO 0.13 0.33 -0.30 0.03 -0.25 0.00 0.00 175.52 175.45 1np0 h ARG 531 N 1.17 0.65 -0.66 4.72 3.08 -1.53 -1.44 114.38 120.37 1np0 h ARG 531 Ca 0.27 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1np0 h ARG 531 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1np0 h ARG 531 CO -0.03 0.97 0.39 1.25 -1.07 0.00 0.00 179.97 181.49 1np0 h HIS 532 N 0.37 0.87 -0.60 3.04 2.76 -0.86 -0.67 115.15 120.06 1np0 h HIS 532 Ca 0.03 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1np0 h HIS 532 Cb 0.88 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 1np0 h HIS 532 CO 0.08 0.60 0.35 -0.09 -1.30 0.00 0.00 177.93 177.56 1np0 h ARG 533 N 0.90 0.83 -0.81 5.26 1.12 -0.33 -0.13 114.38 121.22 1np0 h ARG 533 Ca 0.24 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1np0 h ARG 533 Cb -0.02 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 29.73 1np0 h ARG 533 CO -0.04 0.62 0.54 0.00 -3.11 0.00 0.00 179.97 177.97 1np0 h ARG 535 N 1.05 0.48 -0.58 0.00 2.43 -0.26 -1.08 114.38 116.42 1np0 h ARG 535 Ca 0.31 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1np0 h ARG 535 Cb -0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 1np0 h ARG 535 CO -0.08 0.38 0.29 0.52 -1.51 0.00 0.00 179.97 179.58 1np0 h MET 536 N 0.45 0.54 -0.45 0.20 2.86 -0.43 -1.84 114.93 116.26 1np0 h MET 536 Ca 0.12 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1np0 h MET 536 Cb 0.03 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1np0 h MET 536 CO -0.02 0.36 0.27 0.28 1.06 0.00 0.00 176.91 178.85 1np0 h VAL 537 N 0.56 1.04 -0.35 -2.22 2.07 -0.96 0.02 116.25 116.41 1np0 h VAL 537 Ca 0.26 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1np0 h VAL 537 Cb 0.18 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1np0 h VAL 537 CO -0.18 0.10 0.23 -0.33 0.02 0.00 0.00 177.57 177.41 1np0 h GLU 538 N 0.53 0.40 -0.33 1.57 5.08 -0.73 -2.14 114.58 118.97 1np0 h GLU 538 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1np0 h GLU 538 Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1np0 h GLU 538 CO -0.08 0.26 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 1np0 n ARG 539 N -4.49 1.74 -0.45 2.33 1.74 -0.74 -4.92 116.66 111.88 1np0 n ARG 539 Ca 0.03 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 1np0 n ARG 539 Cb 0.11 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1np0 n ARG 539 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1np0 n GLY 540 N 0.93 0.77 3.51 -0.13 0.00 -0.80 -5.05 105.19 104.42 1np0 n GLY 540 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1np0 n GLY 540 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1np0 s ILE 541 N -2.13 5.10 -1.38 -0.61 -1.09 -0.07 -4.99 121.20 116.03 1np0 s ILE 541 Ca 0.00 -0.22 -0.13 0.00 -2.23 0.00 0.00 60.65 58.07 1np0 s ILE 541 Cb 0.00 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1np0 s ILE 541 CO 0.00 0.05 2.42 0.00 -1.23 0.00 0.00 174.94 176.17 1np0 n ALA 542 N 5.07 5.85 -2.11 9.38 0.00 -1.26 -2.47 120.51 134.97 1np0 n ALA 542 Ca -0.13 -3.54 -0.41 0.00 0.00 0.00 0.00 53.44 49.36 1np0 n ALA 542 Cb 0.50 -3.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.46 1np0 n ALA 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1np0 s ALA 543 N 3.11 3.40 0.74 0.00 0.00 -1.26 -3.19 121.76 124.55 1np0 s ALA 543 Ca 0.55 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1np0 s ALA 543 Cb 0.15 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.91 1np0 s ALA 543 CO -0.05 -0.31 1.07 1.14 0.00 0.00 0.00 175.76 177.61 1np0 s GLN 544 N -0.13 2.57 0.82 0.00 -2.07 -0.50 -4.83 119.66 115.52 1np0 s GLN 544 Ca 0.52 0.96 -0.11 0.00 -1.82 0.00 0.00 55.36 54.92 1np0 s GLN 544 Cb -0.31 -1.95 0.09 0.00 -1.09 0.00 0.00 33.01 29.75 1np0 s GLN 544 CO 0.35 -1.36 1.10 -2.14 -1.32 0.00 0.00 175.29 171.91 1np0 s PRO 545 N -5.02 1.86 -0.09 9.60 0.02 -1.26 -4.29 135.00 135.82 1np0 s PRO 545 Ca 0.59 1.13 -0.04 0.00 0.02 0.00 0.00 61.00 62.70 1np0 s PRO 545 Cb -0.15 -1.85 -0.26 0.00 0.02 0.00 0.00 34.50 32.25 1np0 s PRO 545 CO 0.55 -1.91 0.48 -0.07 -0.33 0.00 0.00 177.00 175.72 1np0 h LEU 546 N -1.32 0.38 0.00 -5.54 3.38 -1.96 -3.48 115.31 106.77 1np0 h LEU 546 Ca -0.45 -0.80 0.05 0.00 0.09 0.00 0.00 57.88 56.78 1np0 h LEU 546 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1np0 h LEU 546 CO 0.51 1.71 0.29 0.00 0.09 0.00 0.00 178.44 181.04 1np0 n TYR 547 N -3.43 -1.39 -1.55 1.13 9.36 -1.26 -4.76 117.16 115.26 1np0 n TYR 547 Ca -0.28 -0.95 -0.39 0.00 3.32 0.00 0.00 57.90 59.60 1np0 n TYR 547 Cb 1.05 0.47 0.03 0.00 -0.63 0.00 0.00 39.34 40.26 1np0 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1np0 n ALA 548 N -1.54 -0.39 0.00 2.98 0.00 -1.26 -4.89 120.51 115.40 1np0 n ALA 548 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1np0 n ALA 548 Cb 0.37 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1np0 n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1np0 n GLY 549 N 1.46 -0.12 3.63 0.00 0.00 -1.26 -5.16 105.19 103.74 1np0 n GLY 549 Ca 0.12 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1np0 n GLY 549 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1np0 s TYR 550 N -2.93 -0.13 0.33 1.61 1.13 -1.26 -5.18 117.35 110.91 1np0 s TYR 550 Ca 0.00 -0.24 0.08 0.00 -1.41 0.00 0.00 57.07 55.50 1np0 s TYR 550 Cb 0.00 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1np0 s TYR 550 CO 0.00 -1.02 0.24 0.00 -2.51 0.00 0.00 175.55 172.25