#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h49 s LEU 13 N 0.00 4.37 0.63 4.03 1.02 -1.26 -5.00 118.68 122.47 1h49 s LEU 13 Ca 0.00 2.78 -0.16 0.00 0.02 0.00 0.00 54.13 56.76 1h49 s LEU 13 Cb 0.00 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 1h49 s LEU 13 CO 0.00 -0.81 1.12 -0.94 0.02 0.00 0.00 176.35 175.74 1h49 s SER 14 N 0.53 5.22 0.52 2.29 1.04 -1.26 -4.77 113.70 117.28 1h49 s SER 14 Ca 0.63 2.06 0.30 0.00 0.48 0.00 0.00 55.95 59.41 1h49 s SER 14 Cb -0.45 -2.56 1.43 0.00 0.10 0.00 0.00 66.02 64.54 1h49 s SER 14 CO 0.43 -1.55 1.89 1.55 0.98 0.00 0.00 173.24 176.54 1h49 h PRO 15 N 0.31 0.05 0.00 4.02 0.13 -1.96 0.16 132.00 134.70 1h49 h PRO 15 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h49 h PRO 15 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h49 h PRO 15 CO 0.55 0.04 -0.03 0.66 -0.23 0.00 0.00 178.00 178.98 1h49 h SER 16 N 0.06 0.00 1.35 1.44 4.64 -2.03 -3.22 113.55 115.78 1h49 h SER 16 Ca 0.43 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1h49 h SER 16 Cb 1.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1h49 h SER 16 CO -0.03 0.00 -0.66 -0.33 -0.87 0.00 0.00 176.83 174.94 1h49 h GLU 17 N 0.00 0.00 -6.36 4.77 5.08 -1.05 -3.47 114.58 113.55 1h49 h GLU 17 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1h49 h GLU 17 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1h49 h GLU 17 CO 0.00 0.04 0.92 0.42 -1.00 0.00 0.00 179.01 179.39 1h49 s ILE 18 N -3.27 3.56 0.33 3.13 1.01 -0.95 -4.94 121.20 120.07 1h49 s ILE 18 Ca 0.02 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.29 1h49 s ILE 18 Cb 0.08 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.84 1h49 s ILE 18 CO 0.75 -0.02 1.34 -2.65 0.00 0.00 0.00 174.94 174.36 1h49 n PRO 19 N 5.80 2.21 -4.27 2.79 -0.02 -1.26 -5.02 135.00 135.22 1h49 n PRO 19 Ca 0.15 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.14 1h49 n PRO 19 Cb 0.43 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 1h49 n PRO 19 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1h49 s GLN 20 N -1.68 2.18 0.32 -0.52 -1.52 -1.26 -5.02 119.66 112.15 1h49 s GLN 20 Ca 0.57 -1.25 0.07 0.00 -1.95 0.00 0.00 55.36 52.80 1h49 s GLN 20 Cb -0.56 -2.21 0.54 0.00 -0.22 0.00 0.00 33.01 30.56 1h49 s GLN 20 CO 0.60 0.43 1.76 -0.09 -0.25 0.00 0.00 175.29 177.74 1h49 h ARG 21 N 2.71 0.23 0.00 2.91 9.65 -1.94 -2.41 114.38 125.53 1h49 h ARG 21 Ca -0.46 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1h49 h ARG 21 Cb 1.21 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1h49 h ARG 21 CO 0.56 0.55 0.00 -0.40 2.80 0.00 0.00 179.97 183.48 1h49 n ASP 22 N -4.09 0.00 0.12 -3.80 5.68 -1.26 -2.34 116.55 110.86 1h49 n ASP 22 Ca -0.01 -0.05 0.02 0.00 -0.50 0.00 0.00 54.79 54.25 1h49 n ASP 22 Cb 0.43 -0.25 0.39 0.00 -1.14 0.00 0.00 41.12 40.55 1h49 n ASP 22 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1h49 h TRP 23 N 0.00 0.25 -2.68 2.11 4.06 -1.85 -3.44 115.95 114.40 1h49 h TRP 23 Ca 0.00 -0.03 -0.57 0.00 2.06 0.00 0.00 58.89 60.36 1h49 h TRP 23 Cb 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 1h49 h TRP 23 CO 0.00 0.36 -0.51 -0.06 -3.56 0.00 0.00 178.44 174.68 1h49 s PHE 24 N -4.73 3.37 0.95 0.49 0.40 -0.99 -5.03 117.98 112.43 1h49 s PHE 24 Ca -0.05 0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 1h49 s PHE 24 Cb 0.15 -1.63 0.16 0.00 0.51 0.00 0.00 43.02 42.22 1h49 s PHE 24 CO 0.73 0.53 1.09 -1.25 0.70 0.00 0.00 175.22 177.02 1h49 s PRO 25 N -3.06 0.82 0.36 0.24 0.04 -1.26 -4.94 135.00 127.20 1h49 s PRO 25 Ca 0.33 1.07 0.13 0.00 0.04 0.00 0.00 61.00 62.58 1h49 s PRO 25 Cb -0.11 -1.74 0.67 0.00 0.04 0.00 0.00 34.50 33.36 1h49 s PRO 25 CO 0.26 -2.61 1.78 0.66 0.04 0.00 0.00 177.00 177.14 1h49 h SER 26 N -1.83 0.00 0.79 6.66 4.64 -1.96 -2.26 113.55 119.59 1h49 h SER 26 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1h49 h SER 26 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1h49 h SER 26 CO 0.50 0.42 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.95 1h49 n ASP 27 N -3.98 0.03 -4.64 4.97 3.85 -1.26 -4.90 116.55 110.62 1h49 n ASP 27 Ca -0.02 0.19 -0.36 0.00 -0.71 0.00 0.00 54.79 53.89 1h49 n ASP 27 Cb 0.45 -0.38 0.08 0.00 -1.35 0.00 0.00 41.12 39.93 1h49 n ASP 27 CO 0.00 0.00 0.00 0.33 -1.01 0.00 0.00 177.20 176.52 1h49 n PHE 28 N -1.40 0.97 -4.59 2.11 7.35 -0.85 -5.02 117.46 116.03 1h49 n PHE 28 Ca 0.10 0.41 -0.30 0.00 -0.76 0.00 0.00 57.45 56.90 1h49 n PHE 28 Cb 0.30 -2.13 -0.17 0.00 0.35 0.00 0.00 39.48 37.84 1h49 n PHE 28 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1h49 s THR 29 N -1.72 1.69 -0.07 -2.13 2.01 -0.89 -5.02 115.64 109.52 1h49 s THR 29 Ca 0.76 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1h49 s THR 29 Cb -0.36 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1h49 s THR 29 CO 0.48 0.48 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.36 1h49 s PHE 30 N 0.87 2.66 0.24 4.92 0.08 -1.26 -1.03 117.98 124.46 1h49 s PHE 30 Ca -0.08 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 1h49 s PHE 30 Cb -0.15 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1h49 s PHE 30 CO -0.01 0.01 0.37 0.41 -0.10 0.00 0.00 175.22 175.91 1h49 n GLY 31 N 2.70 2.20 3.35 4.36 0.00 0.26 -0.51 105.19 117.56 1h49 n GLY 31 Ca -0.17 -1.46 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 1h49 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h49 s ALA 32 N -2.24 1.90 0.02 4.61 0.00 -1.21 -1.17 121.76 123.66 1h49 s ALA 32 Ca 0.18 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 1h49 s ALA 32 Cb -0.01 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1h49 s ALA 32 CO 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 175.76 175.58 1h49 s ALA 33 N -3.46 0.05 0.30 0.00 0.00 -0.66 -1.22 121.76 116.78 1h49 s ALA 33 Ca 0.32 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1h49 s ALA 33 Cb 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1h49 s ALA 33 CO 0.11 -0.16 0.41 0.95 0.00 0.00 0.00 175.76 177.06 1h49 s THR 34 N -1.42 0.00 0.06 0.00 -4.23 -0.31 -1.97 115.64 107.77 1h49 s THR 34 Ca -0.15 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1h49 s THR 34 Cb -0.09 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1h49 s THR 34 CO -0.01 0.00 -0.08 -0.94 -0.54 0.00 0.00 174.62 173.06 1h49 s SER 35 N -3.20 0.96 0.08 3.99 1.04 -1.26 -3.76 113.70 111.55 1h49 s SER 35 Ca 0.31 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 1h49 s SER 35 Cb 0.01 0.05 -0.16 0.00 0.10 0.00 0.00 66.02 66.02 1h49 s SER 35 CO 0.18 -0.27 1.65 0.00 0.98 0.00 0.00 173.24 175.78 1h49 h ALA 36 N 4.08 -0.64 -0.51 5.32 0.00 -1.90 -2.28 119.26 123.33 1h49 h ALA 36 Ca -0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1h49 h ALA 36 Cb 1.19 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1h49 h ALA 36 CO 0.47 -0.87 0.25 -0.92 0.00 0.00 0.00 179.25 178.18 1h49 h TYR 37 N -0.64 0.71 -0.00 0.00 3.20 -1.93 -0.96 116.97 117.34 1h49 h TYR 37 Ca -0.05 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 1h49 h TYR 37 Cb 0.52 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1h49 h TYR 37 CO -0.08 0.52 -0.51 1.96 -1.64 0.00 0.00 178.16 178.41 1h49 h GLN 38 N 0.72 0.01 0.00 1.82 4.20 -1.69 -3.39 115.11 116.78 1h49 h GLN 38 Ca 0.18 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1h49 h GLN 38 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1h49 h GLN 38 CO -0.02 0.52 -1.21 0.44 -0.67 0.00 0.00 178.83 177.88 1h49 n ILE 39 N -3.93 0.20 -0.10 2.54 -5.35 -0.93 -1.99 119.36 109.80 1h49 n ILE 39 Ca -0.01 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1h49 n ILE 39 Cb 0.53 -0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 37.60 1h49 n ILE 39 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1h49 h GLU 40 N 0.00 0.50 0.00 6.28 5.08 -1.37 -0.31 114.58 124.77 1h49 h GLU 40 Ca -0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1h49 h GLU 40 Cb 1.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1h49 h GLU 40 CO 0.00 0.64 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 1h49 n GLY 41 N -0.38 0.68 4.08 -3.84 0.00 -0.97 -1.20 105.19 103.56 1h49 n GLY 41 Ca -0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1h49 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h49 n ALA 42 N 4.85 -2.03 0.24 4.61 0.00 -1.10 -4.82 120.51 122.26 1h49 n ALA 42 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.21 1h49 n ALA 42 Cb 0.00 -1.31 0.62 0.00 0.00 0.00 0.00 19.45 18.76 1h49 n ALA 42 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1h49 h TRP 43 N -1.84 0.00 0.00 0.00 5.08 -1.86 -3.03 115.95 114.31 1h49 h TRP 43 Ca -0.64 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.30 1h49 h TRP 43 Cb 1.38 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.49 1h49 h TRP 43 CO 0.49 0.17 -0.41 0.27 -1.28 0.00 0.00 178.44 177.69 1h49 n ASN 44 N -3.80 1.21 -4.91 0.11 6.94 -1.26 -4.74 115.26 108.81 1h49 n ASN 44 Ca -0.02 -2.65 -0.31 0.00 -0.02 0.00 0.00 54.58 51.58 1h49 n ASN 44 Cb 0.27 -0.34 -0.04 0.00 -2.36 0.00 0.00 39.78 37.31 1h49 n ASN 44 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1h49 s GLU 45 N -1.47 3.47 -1.38 -3.83 2.02 -1.15 -4.56 118.70 111.82 1h49 s GLU 45 Ca 0.22 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.77 1h49 s GLU 45 Cb 0.21 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.46 1h49 s GLU 45 CO -0.02 0.59 0.98 -0.25 0.02 0.00 0.00 175.26 176.57 1h49 n ASP 46 N 0.29 -3.96 0.00 -0.19 8.00 -1.26 -2.10 116.55 117.33 1h49 n ASP 46 Ca -0.05 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1h49 n ASP 46 Cb 0.51 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 1h49 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h49 n GLY 47 N -1.67 0.50 3.73 0.44 0.00 -1.26 -4.52 105.19 102.43 1h49 n GLY 47 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1h49 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h49 s LYS 48 N -0.15 4.32 0.65 1.61 2.20 -0.89 -4.72 119.74 122.75 1h49 s LYS 48 Ca 0.00 2.17 -0.11 0.00 -0.36 0.00 0.00 55.97 57.67 1h49 s LYS 48 Cb 0.00 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1h49 s LYS 48 CO 0.00 -0.37 1.04 0.20 -0.36 0.00 0.00 175.35 175.87 1h49 s GLY 49 N 0.53 1.66 0.31 5.54 0.00 -0.72 -4.66 107.32 109.99 1h49 s GLY 49 Ca 0.60 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1h49 s GLY 49 CO 0.38 0.20 1.19 1.85 0.00 0.00 0.00 173.10 176.71 1h49 s GLU 50 N -5.18 4.47 0.39 2.90 2.12 -1.26 -4.57 118.70 117.58 1h49 s GLU 50 Ca 0.56 1.97 0.08 0.00 0.36 0.00 0.00 54.97 57.93 1h49 s GLU 50 Cb -0.12 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1h49 s GLU 50 CO 0.54 0.00 0.41 -1.54 -0.54 0.00 0.00 175.26 174.13 1h49 s SER 51 N -0.75 5.29 0.35 -1.70 1.04 -1.26 -1.09 113.70 115.58 1h49 s SER 51 Ca 0.47 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 56.41 1h49 s SER 51 Cb -0.35 -0.72 0.82 0.00 0.10 0.00 0.00 66.02 65.87 1h49 s SER 51 CO 0.45 -0.60 1.85 -0.55 0.98 0.00 0.00 173.24 175.38 1h49 h ASN 52 N 0.98 0.66 0.12 7.02 -0.00 -0.91 -1.59 115.58 121.86 1h49 h ASN 52 Ca -0.42 0.05 -0.25 0.00 -0.00 0.00 0.00 56.30 55.68 1h49 h ASN 52 Cb 1.27 -0.08 0.01 0.00 -0.00 0.00 0.00 38.32 39.52 1h49 h ASN 52 CO 0.55 0.32 -1.00 -0.50 -0.00 0.00 0.00 177.43 176.79 1h49 h TRP 53 N 0.69 0.90 0.00 4.14 4.06 -1.87 -0.63 115.95 123.23 1h49 h TRP 53 Ca 0.47 -0.49 0.03 0.00 2.06 0.00 0.00 58.89 60.97 1h49 h TRP 53 Cb 0.78 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.80 1h49 h TRP 53 CO -0.00 1.32 -0.25 -0.44 -3.56 0.00 0.00 178.44 175.50 1h49 h ASP 54 N 0.34 -0.75 0.27 -3.49 3.45 -1.88 0.28 116.42 114.64 1h49 h ASP 54 Ca -0.11 0.10 -0.09 0.00 0.43 0.00 0.00 57.03 57.36 1h49 h ASP 54 Cb 1.65 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 40.71 1h49 h ASP 54 CO 0.19 -0.32 -0.36 1.12 -1.57 0.00 0.00 179.24 178.29 1h49 h HIS 55 N -0.39 0.16 0.24 4.55 2.07 -1.25 -2.01 115.15 118.52 1h49 h HIS 55 Ca 0.06 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1h49 h HIS 55 Cb 0.47 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1h49 h HIS 55 CO -0.29 0.49 -0.12 0.35 -3.07 0.00 0.00 177.93 175.30 1h49 h PHE 56 N 0.12 -0.30 0.00 6.12 3.57 -0.87 -0.80 116.94 124.77 1h49 h PHE 56 Ca 0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1h49 h PHE 56 Cb 0.70 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1h49 h PHE 56 CO 0.01 0.08 -0.06 0.00 -2.23 0.00 0.00 178.31 176.11 1h49 n HIS 58 N -4.31 0.77 1.37 0.00 8.25 -0.76 -2.99 115.22 117.54 1h49 n HIS 58 Ca -0.03 0.25 0.13 0.00 -0.26 0.00 0.00 57.72 57.81 1h49 n HIS 58 Cb 0.14 -0.97 0.44 0.00 1.12 0.00 0.00 29.99 30.71 1h49 n HIS 58 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1h49 n ASN 59 N -2.74 1.78 -2.67 0.41 3.02 -0.32 -4.56 115.26 110.19 1h49 n ASN 59 Ca -0.09 -1.61 -0.05 0.00 -0.03 0.00 0.00 54.58 52.81 1h49 n ASN 59 Cb 0.76 -0.02 0.07 0.00 -0.61 0.00 0.00 39.78 39.99 1h49 n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h49 n HIS 60 N 0.39 -0.62 0.31 3.10 1.44 -1.22 -5.01 115.22 113.62 1h49 n HIS 60 Ca 0.18 -0.73 0.19 0.00 -2.01 0.00 0.00 57.72 55.35 1h49 n HIS 60 Cb 0.39 1.10 1.00 0.00 0.12 0.00 0.00 29.99 32.61 1h49 n HIS 60 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1h49 h PRO 61 N 3.19 0.00 0.00 -1.40 0.13 -1.78 -2.36 132.00 129.79 1h49 h PRO 61 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1h49 h PRO 61 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h49 h PRO 61 CO -0.18 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.74 1h49 n GLU 62 N -3.22 0.08 -0.31 0.86 0.00 -1.26 -2.15 120.64 114.64 1h49 n GLU 62 Ca -0.02 0.47 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1h49 n GLU 62 Cb 0.22 -1.72 0.29 0.00 0.00 0.00 0.00 31.44 30.23 1h49 n GLU 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1h49 n ARG 63 N -1.89 2.66 -4.31 3.44 5.12 -0.89 -4.78 116.66 116.02 1h49 n ARG 63 Ca 0.01 -2.55 -0.34 0.00 -1.93 0.00 0.00 57.85 53.04 1h49 n ARG 63 Cb 0.09 -1.55 -0.12 0.00 -1.16 0.00 0.00 32.46 29.72 1h49 n ARG 63 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1h49 s ILE 64 N -1.15 4.05 0.29 0.55 -1.09 -0.91 -4.90 121.20 118.03 1h49 s ILE 64 Ca 0.46 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1h49 s ILE 64 Cb 0.25 -2.79 0.44 0.00 -1.58 0.00 0.00 42.46 38.78 1h49 s ILE 64 CO 0.33 0.48 1.56 -0.11 -1.23 0.00 0.00 174.94 175.97 1h49 n LEU 65 N 3.58 -0.25 -1.06 2.97 7.94 -0.22 -1.28 117.00 128.68 1h49 n LEU 65 Ca -0.17 1.71 0.09 0.00 -1.11 0.00 0.00 56.01 56.52 1h49 n LEU 65 Cb 0.52 -0.57 0.25 0.00 0.53 0.00 0.00 43.42 44.16 1h49 n LEU 65 CO 0.33 -1.68 0.72 -0.90 -1.11 0.00 0.00 177.39 174.75 1h49 n ASP 66 N -5.57 3.66 -0.28 1.96 5.75 -1.26 -4.96 116.55 115.84 1h49 n ASP 66 Ca 0.19 -2.15 -0.04 0.00 -0.01 0.00 0.00 54.79 52.79 1h49 n ASP 66 Cb 0.62 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1h49 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h49 n GLY 67 N 0.94 0.62 4.01 6.12 0.00 -0.40 -4.99 105.19 111.49 1h49 n GLY 67 Ca 0.19 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1h49 n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h49 s SER 68 N -2.40 4.40 0.33 1.61 1.04 -1.26 -4.91 113.70 112.51 1h49 s SER 68 Ca 0.00 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1h49 s SER 68 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1h49 s SER 68 CO 0.00 -1.85 0.48 0.54 0.98 0.00 0.00 173.24 173.39 1h49 s ASN 69 N -4.79 0.73 -0.47 7.02 2.20 -1.26 -4.86 114.94 113.51 1h49 s ASN 69 Ca 0.67 -1.40 0.03 0.00 -0.94 0.00 0.00 52.86 51.21 1h49 s ASN 69 Cb -0.04 0.66 0.46 0.00 -2.00 0.00 0.00 41.25 40.32 1h49 s ASN 69 CO 0.44 -1.29 1.61 -0.24 -2.94 0.00 0.00 177.10 174.68 1h49 n SER 70 N -1.26 6.17 -0.22 3.54 2.88 -1.26 -4.61 113.62 118.86 1h49 n SER 70 Ca 0.00 -3.77 0.09 0.00 -1.33 0.00 0.00 58.87 53.86 1h49 n SER 70 Cb 0.62 -0.66 0.37 0.00 -0.75 0.00 0.00 64.21 63.79 1h49 n SER 70 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1h49 h ASP 71 N 2.05 0.64 0.00 -3.46 5.19 -1.95 -3.30 116.42 115.59 1h49 h ASP 71 Ca 0.48 0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.66 1h49 h ASP 71 Cb 1.21 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 1h49 h ASP 71 CO 1.15 0.38 -1.89 -0.38 -3.12 0.00 0.00 179.24 175.37 1h49 n ILE 72 N -4.51 0.89 0.00 0.35 5.41 -1.26 -2.71 119.36 117.53 1h49 n ILE 72 Ca 0.13 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1h49 n ILE 72 Cb 0.34 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1h49 n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h49 n GLY 73 N 2.36 3.78 1.07 7.39 0.00 -1.24 -0.54 105.19 118.01 1h49 n GLY 73 Ca -0.30 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1h49 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h49 n ALA 74 N 12.13 2.63 -3.93 4.61 0.00 -0.22 -4.85 120.51 130.87 1h49 n ALA 74 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 53.44 51.62 1h49 n ALA 74 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1h49 n ALA 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h49 n ASN 75 N 0.67 -4.46 0.10 0.00 4.05 0.29 -4.86 115.26 111.05 1h49 n ASN 75 Ca 0.19 -0.80 0.13 0.00 0.45 0.00 0.00 54.58 54.55 1h49 n ASN 75 Cb 0.68 -3.80 0.43 0.00 1.23 0.00 0.00 39.78 38.32 1h49 n ASN 75 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1h49 n SER 76 N -2.84 0.72 -0.31 1.20 7.64 -0.67 -0.91 113.62 118.45 1h49 n SER 76 Ca 0.02 0.58 -0.04 0.00 1.01 0.00 0.00 58.87 60.45 1h49 n SER 76 Cb 0.53 -0.77 0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1h49 n SER 76 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1h49 h TYR 77 N 0.00 1.10 0.00 1.43 3.20 -1.39 -1.85 116.97 119.46 1h49 h TYR 77 Ca 0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 1h49 h TYR 77 Cb 0.66 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1h49 h TYR 77 CO 0.00 0.72 -1.49 0.72 -1.64 0.00 0.00 178.16 176.47 1h49 n HIS 78 N -4.45 0.86 -1.00 -3.82 8.25 -1.06 -4.47 115.22 109.53 1h49 n HIS 78 Ca 0.09 0.28 0.08 0.00 -0.26 0.00 0.00 57.72 57.92 1h49 n HIS 78 Cb 0.04 -1.04 0.26 0.00 1.12 0.00 0.00 29.99 30.37 1h49 n HIS 78 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1h49 n MET 79 N -2.83 2.96 0.25 -0.41 2.81 -0.09 -4.73 117.12 115.09 1h49 n MET 79 Ca -0.10 -2.86 0.09 0.00 -1.81 0.00 0.00 57.70 53.01 1h49 n MET 79 Cb 0.83 -1.86 0.65 0.00 -0.71 0.00 0.00 33.22 32.12 1h49 n MET 79 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 1h49 h TYR 80 N 1.85 0.00 -0.63 2.03 -0.00 -1.55 -1.61 116.97 117.05 1h49 h TYR 80 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.69 1h49 h TYR 80 Cb 1.47 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.17 1h49 h TYR 80 CO 0.52 0.07 0.20 0.87 -0.00 0.00 0.00 178.16 179.82 1h49 h LYS 81 N 0.00 0.95 -0.11 0.10 1.57 -1.87 -1.59 116.57 115.62 1h49 h LYS 81 Ca -0.00 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 1h49 h LYS 81 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1h49 h LYS 81 CO 0.01 0.82 -0.57 1.15 -0.57 0.00 0.00 179.45 180.28 1h49 h THR 82 N 0.92 1.36 -0.39 -0.16 2.02 -1.68 -0.93 112.91 114.05 1h49 h THR 82 Ca 0.21 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1h49 h THR 82 Cb 0.26 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1h49 h THR 82 CO -0.01 0.57 0.26 0.44 0.37 0.00 0.00 175.52 177.15 1h49 h ASP 83 N 0.27 0.45 -0.35 4.18 3.32 -1.16 -1.67 116.42 121.47 1h49 h ASP 83 Ca -0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1h49 h ASP 83 Cb 1.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1h49 h ASP 83 CO 0.10 0.33 -0.11 0.58 -1.72 0.00 0.00 179.24 178.42 1h49 h VAL 84 N 0.53 1.26 -0.94 -1.35 2.07 -1.14 -2.25 116.25 114.42 1h49 h VAL 84 Ca 0.14 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1h49 h VAL 84 Cb -0.06 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1h49 h VAL 84 CO -0.03 0.40 0.58 -0.09 0.02 0.00 0.00 177.57 178.45 1h49 h ARG 85 N 0.71 1.26 -0.18 1.57 2.43 -0.79 -1.58 114.38 117.79 1h49 h ARG 85 Ca 0.12 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1h49 h ARG 85 Cb 0.58 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1h49 h ARG 85 CO 0.04 0.86 -0.25 -0.07 -1.51 0.00 0.00 179.97 179.04 1h49 h LEU 86 N 1.28 0.53 -0.71 3.80 4.07 -1.02 -2.13 115.31 121.14 1h49 h LEU 86 Ca 0.34 -0.51 0.10 0.00 0.08 0.00 0.00 57.88 57.89 1h49 h LEU 86 Cb -0.09 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 41.43 1h49 h LEU 86 CO -0.07 0.94 0.35 -0.07 -1.08 0.00 0.00 178.44 178.51 1h49 h LEU 87 N 0.15 0.45 -0.35 1.67 3.38 -1.21 -1.83 115.31 117.55 1h49 h LEU 87 Ca 0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1h49 h LEU 87 Cb 0.81 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1h49 h LEU 87 CO 0.06 0.25 0.05 0.50 0.09 0.00 0.00 178.44 179.39 1h49 h LYS 88 N 0.59 0.59 -0.83 1.13 1.63 -1.22 -2.17 116.57 116.28 1h49 h LYS 88 Ca 0.35 -0.16 0.08 0.00 -0.85 0.00 0.00 60.65 60.07 1h49 h LYS 88 Cb 0.38 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 1h49 h LYS 88 CO -0.28 0.66 0.49 0.93 -3.45 0.00 0.00 179.45 177.81 1h49 h GLU 89 N 0.42 0.84 0.00 1.90 5.08 -1.08 -1.25 114.58 120.49 1h49 h GLU 89 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1h49 h GLU 89 Cb 0.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1h49 h GLU 89 CO 0.01 0.55 0.00 -1.33 -1.00 0.00 0.00 179.01 177.24 1h49 n MET 90 N -4.69 0.18 -1.29 2.33 2.81 -0.72 -4.86 117.12 110.88 1h49 n MET 90 Ca 0.13 0.07 -0.07 0.00 -1.81 0.00 0.00 57.70 56.01 1h49 n MET 90 Cb 0.23 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1h49 n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h49 n GLY 91 N 0.91 0.87 3.76 3.03 0.00 -0.47 -3.96 105.19 109.32 1h49 n GLY 91 Ca 0.09 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1h49 n GLY 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h49 n MET 92 N -2.70 2.60 0.13 1.61 2.81 -0.85 -4.88 117.12 115.85 1h49 n MET 92 Ca -0.07 0.91 0.01 0.00 -1.81 0.00 0.00 57.70 56.74 1h49 n MET 92 Cb 0.27 -2.64 0.02 0.00 -0.71 0.00 0.00 33.22 30.16 1h49 n MET 92 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1h49 h ASP 93 N 3.35 0.00 -5.19 7.83 5.19 -1.14 -3.44 116.42 123.01 1h49 h ASP 93 Ca -0.49 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.85 1h49 h ASP 93 Cb 1.24 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.64 1h49 h ASP 93 CO 0.68 0.56 -0.16 0.00 -3.12 0.00 0.00 179.24 177.19 1h49 s ALA 94 N -2.96 -0.38 -0.06 3.45 0.00 -1.09 -1.15 121.76 119.57 1h49 s ALA 94 Ca 0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1h49 s ALA 94 Cb 0.08 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1h49 s ALA 94 CO 0.75 -0.74 0.06 -0.47 0.00 0.00 0.00 175.76 175.36 1h49 s TYR 95 N -3.94 0.13 -0.27 0.00 5.04 -0.82 -3.33 117.35 114.17 1h49 s TYR 95 Ca 0.15 0.15 -0.16 0.00 -2.44 0.00 0.00 57.07 54.78 1h49 s TYR 95 Cb 0.01 -0.53 -0.03 0.00 0.35 0.00 0.00 41.96 41.75 1h49 s TYR 95 CO 0.00 -0.24 0.41 0.50 -1.34 0.00 0.00 175.55 174.88 1h49 s ARG 96 N 2.15 4.03 0.25 4.97 3.52 -0.36 -1.64 118.95 131.87 1h49 s ARG 96 Ca 0.05 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1h49 s ARG 96 Cb -0.13 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 1h49 s ARG 96 CO -0.04 -0.30 0.04 -0.59 -0.81 0.00 0.00 175.30 173.60 1h49 s PHE 97 N 2.13 1.61 0.23 5.12 -0.12 -0.98 -1.16 117.98 124.80 1h49 s PHE 97 Ca 0.16 -1.01 0.10 0.00 -0.05 0.00 0.00 56.93 56.13 1h49 s PHE 97 Cb -0.16 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.23 1h49 s PHE 97 CO 0.10 -0.13 -0.10 -1.54 -0.05 0.00 0.00 175.22 173.49 1h49 s SER 98 N -3.33 4.12 -0.16 1.98 1.04 -1.25 -0.82 113.70 115.28 1h49 s SER 98 Ca 0.33 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 1h49 s SER 98 Cb 0.07 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 1h49 s SER 98 CO 0.11 0.06 0.08 -0.63 0.98 0.00 0.00 173.24 173.84 1h49 s ILE 99 N -2.04 4.94 -0.40 -1.02 1.01 -0.83 -4.14 121.20 118.71 1h49 s ILE 99 Ca 0.27 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1h49 s ILE 99 Cb -0.07 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1h49 s ILE 99 CO 0.16 0.50 1.14 -0.55 0.00 0.00 0.00 174.94 176.19 1h49 s SER 100 N -0.02 6.73 0.13 3.58 0.15 -1.26 -4.60 113.70 118.42 1h49 s SER 100 Ca 0.07 0.76 -0.24 0.00 0.70 0.00 0.00 55.95 57.24 1h49 s SER 100 Cb -0.12 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1h49 s SER 100 CO 0.01 -1.11 1.65 -0.25 1.20 0.00 0.00 173.24 174.73 1h49 h TRP 101 N 8.88 -0.57 0.00 3.44 2.91 -1.85 -1.99 115.95 126.78 1h49 h TRP 101 Ca -0.22 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.81 1h49 h TRP 101 Cb 1.07 0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1h49 h TRP 101 CO 0.92 -0.30 -0.06 -1.00 -1.03 0.00 0.00 178.44 176.97 1h49 h PRO 102 N -0.30 0.00 -0.17 2.65 0.13 -1.78 0.51 132.00 133.05 1h49 h PRO 102 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1h49 h PRO 102 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1h49 h PRO 102 CO -0.25 0.06 -0.46 -0.09 -0.23 0.00 0.00 178.00 177.04 1h49 h ARG 103 N 0.00 0.43 0.17 0.86 2.43 -1.62 -1.84 114.38 114.81 1h49 h ARG 103 Ca -0.00 -0.23 -0.36 0.00 -0.81 0.00 0.00 59.98 58.58 1h49 h ARG 103 Cb 0.35 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1h49 h ARG 103 CO 0.01 0.80 -1.84 0.82 -1.51 0.00 0.00 179.97 178.25 1h49 h ILE 104 N 0.34 0.83 -2.91 1.20 1.08 -1.01 -3.38 117.51 113.66 1h49 h ILE 104 Ca 0.02 -2.45 -0.61 0.00 -0.39 0.00 0.00 64.86 61.43 1h49 h ILE 104 Cb 0.94 2.68 -0.40 0.00 -3.07 0.00 0.00 36.82 36.96 1h49 h ILE 104 CO 0.08 0.88 -0.73 -0.76 -0.69 0.00 0.00 178.15 176.93 1h49 s LEU 105 N -7.22 3.20 0.51 1.44 1.43 0.10 0.02 118.68 118.16 1h49 s LEU 105 Ca -0.18 -3.13 0.23 0.00 -1.03 0.00 0.00 54.13 50.02 1h49 s LEU 105 Cb 0.06 -1.14 1.31 0.00 0.03 0.00 0.00 46.19 46.45 1h49 s LEU 105 CO 0.83 -0.19 1.98 -0.65 0.23 0.00 0.00 176.35 178.55 1h49 h PRO 106 N 6.06 0.10 -0.18 1.29 0.11 -1.65 0.13 132.00 137.86 1h49 h PRO 106 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1h49 h PRO 106 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1h49 h PRO 106 CO 0.55 0.06 0.00 1.63 -0.21 0.00 0.00 178.00 180.03 1h49 n LYS 107 N -4.40 2.14 0.00 1.05 5.02 -1.26 -4.34 118.16 116.37 1h49 n LYS 107 Ca 0.11 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1h49 n LYS 107 Cb 0.58 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1h49 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h49 n GLY 108 N 1.25 2.97 3.61 0.72 0.00 0.46 -4.41 105.19 109.78 1h49 n GLY 108 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1h49 n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h49 s THR 109 N -1.79 3.28 0.25 2.61 -4.23 -1.26 -4.86 115.64 109.64 1h49 s THR 109 Ca 0.00 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1h49 s THR 109 Cb 0.00 -2.72 0.23 0.00 1.34 0.00 0.00 72.50 71.34 1h49 s THR 109 CO 0.00 -0.32 1.83 0.50 -0.54 0.00 0.00 174.62 176.09 1h49 h LYS 110 N 2.16 0.86 -0.27 3.99 3.64 -1.93 -2.79 116.57 122.24 1h49 h LYS 110 Ca -0.44 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 1h49 h LYS 110 Cb 1.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1h49 h LYS 110 CO 0.59 0.57 -0.20 1.05 -2.27 0.00 0.00 179.45 179.19 1h49 h GLU 111 N 0.89 0.50 0.00 1.90 -0.00 -1.99 -2.39 114.58 113.49 1h49 h GLU 111 Ca 0.41 -0.17 -0.02 0.00 -0.00 0.00 0.00 59.36 59.57 1h49 h GLU 111 Cb 0.31 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 29.02 1h49 h GLU 111 CO -0.22 0.68 -0.10 0.78 -0.00 0.00 0.00 179.01 180.15 1h49 h GLY 112 N 0.98 0.00 0.00 1.06 0.00 -1.86 -3.48 103.07 99.77 1h49 h GLY 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1h49 h GLY 112 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1h49 n GLY 113 N -1.19 2.33 3.74 4.60 0.00 -0.90 -4.81 105.19 108.96 1h49 n GLY 113 Ca -0.03 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1h49 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h49 s ILE 114 N -2.40 4.59 -0.55 -0.61 1.01 -1.26 -4.18 121.20 117.80 1h49 s ILE 114 Ca 0.00 1.79 -0.22 0.00 0.00 0.00 0.00 60.65 62.22 1h49 s ILE 114 Cb 0.00 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1h49 s ILE 114 CO 0.00 0.38 0.82 0.21 0.00 0.00 0.00 174.94 176.35 1h49 s ASN 115 N -0.22 6.27 0.27 3.58 2.47 0.10 -4.97 114.94 122.44 1h49 s ASN 115 Ca 0.41 -0.67 -0.02 0.00 0.42 0.00 0.00 52.86 53.01 1h49 s ASN 115 Cb -0.22 -2.38 0.44 0.00 -1.45 0.00 0.00 41.25 37.64 1h49 s ASN 115 CO 0.26 -1.13 1.87 -0.65 -3.72 0.00 0.00 177.10 173.73 1h49 h PRO 116 N 9.22 1.10 0.00 0.43 0.11 -1.91 0.17 132.00 141.12 1h49 h PRO 116 Ca -0.27 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 1h49 h PRO 116 Cb 1.08 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1h49 h PRO 116 CO 1.06 0.73 -0.19 -0.44 -0.21 0.00 0.00 178.00 178.94 1h49 h ASP 117 N 1.13 0.00 0.22 -2.05 3.45 -1.93 -1.23 116.42 116.01 1h49 h ASP 117 Ca 0.45 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.90 1h49 h ASP 117 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1h49 h ASP 117 CO -0.20 0.19 -0.10 1.23 -1.57 0.00 0.00 179.24 178.79 1h49 h GLY 118 N 0.97 -0.30 0.57 2.75 0.00 -1.15 -2.34 103.07 103.57 1h49 h GLY 118 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1h49 h GLY 118 CO 0.03 -0.11 0.58 -2.22 0.00 0.00 0.00 176.54 174.81 1h49 h ILE 119 N -0.64 0.97 -0.12 2.60 1.08 -1.18 -2.63 117.51 117.59 1h49 h ILE 119 Ca -0.03 -0.34 -0.18 0.00 -0.39 0.00 0.00 64.86 63.93 1h49 h ILE 119 Cb 0.46 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 1h49 h ILE 119 CO 0.05 0.18 -0.66 0.50 -0.69 0.00 0.00 178.15 177.52 1h49 h LYS 120 N 0.98 0.47 0.60 2.37 3.64 -1.23 -0.95 116.57 122.45 1h49 h LYS 120 Ca 0.44 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1h49 h LYS 120 Cb 0.35 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1h49 h LYS 120 CO -0.23 0.97 -0.50 -0.92 -2.27 0.00 0.00 179.45 176.51 1h49 h TYR 121 N 0.34 -1.35 -0.01 1.91 3.20 -1.04 0.24 116.97 120.25 1h49 h TYR 121 Ca -0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1h49 h TYR 121 Cb 1.23 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 40.00 1h49 h TYR 121 CO 0.05 -0.69 -0.25 1.88 -1.64 0.00 0.00 178.16 177.51 1h49 h TYR 122 N -1.07 0.01 -0.19 -3.82 0.05 -1.42 -0.51 116.97 110.03 1h49 h TYR 122 Ca -0.08 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1h49 h TYR 122 Cb 0.90 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1h49 h TYR 122 CO -0.20 0.26 0.08 -0.09 -1.05 0.00 0.00 178.16 177.15 1h49 h ARG 123 N 0.01 0.29 -0.28 4.88 9.65 -1.01 0.23 114.38 128.15 1h49 h ARG 123 Ca -0.00 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1h49 h ARG 123 Cb 0.44 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1h49 h ARG 123 CO 0.03 0.35 0.08 -0.91 2.80 0.00 0.00 179.97 182.33 1h49 h ASN 124 N 0.16 0.41 -0.12 -3.80 2.35 0.01 -1.26 115.58 113.32 1h49 h ASN 124 Ca 0.06 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1h49 h ASN 124 Cb 0.17 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1h49 h ASN 124 CO -0.01 0.51 -0.04 0.25 -1.65 0.00 0.00 177.43 176.49 1h49 h LEU 125 N 0.28 -0.14 -0.45 1.61 5.85 -1.09 -1.85 115.31 119.52 1h49 h LEU 125 Ca 0.09 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1h49 h LEU 125 Cb 0.25 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1h49 h LEU 125 CO -0.00 -0.05 0.23 0.40 -0.34 0.00 0.00 178.44 178.68 1h49 h ILE 126 N -0.02 1.17 -0.53 4.05 2.04 -0.82 -1.61 117.51 121.80 1h49 h ILE 126 Ca 0.06 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1h49 h ILE 126 Cb 0.11 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1h49 h ILE 126 CO -0.13 0.19 0.24 0.78 0.00 0.00 0.00 178.15 179.23 1h49 h ASN 127 N 0.59 0.70 -0.80 1.72 2.35 -1.17 -2.41 115.58 116.56 1h49 h ASN 127 Ca 0.16 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1h49 h ASN 127 Cb 0.09 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1h49 h ASN 127 CO -0.02 0.64 0.37 0.25 -1.65 0.00 0.00 177.43 177.03 1h49 h LEU 128 N 0.71 1.05 -0.32 1.61 5.85 -1.11 -1.29 115.31 121.82 1h49 h LEU 128 Ca 0.18 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1h49 h LEU 128 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1h49 h LEU 128 CO -0.02 0.90 0.12 -0.07 -0.34 0.00 0.00 178.44 179.03 1h49 h LEU 129 N 1.13 0.15 -0.76 2.25 3.38 -0.98 -2.39 115.31 118.09 1h49 h LEU 129 Ca 0.27 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1h49 h LEU 129 Cb 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1h49 h LEU 129 CO -0.03 0.12 -0.47 -0.07 0.09 0.00 0.00 178.44 178.08 1h49 h LEU 130 N 0.27 0.39 -1.56 1.67 3.38 -1.15 -0.11 115.31 118.20 1h49 h LEU 130 Ca 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1h49 h LEU 130 Cb 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1h49 h LEU 130 CO -0.13 0.80 0.01 -0.33 0.09 0.00 0.00 178.44 178.88 1h49 h GLU 131 N 0.29 0.28 -0.39 1.13 5.08 -1.14 -2.32 114.58 117.52 1h49 h GLU 131 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1h49 h GLU 131 Cb 0.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1h49 h GLU 131 CO 0.08 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.48 1h49 n ASN 132 N -4.38 2.22 -0.58 1.42 4.13 -0.60 -4.94 115.26 112.53 1h49 n ASN 132 Ca -0.00 -1.96 -0.07 0.00 1.68 0.00 0.00 54.58 54.23 1h49 n ASN 132 Cb 0.18 -0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 1h49 n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h49 n GLY 133 N 1.18 0.86 3.58 7.41 0.00 -0.81 -4.94 105.19 112.46 1h49 n GLY 133 Ca 0.15 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1h49 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h49 s ILE 134 N -2.28 4.46 -0.22 -0.61 1.01 -0.15 -4.87 121.20 118.53 1h49 s ILE 134 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1h49 s ILE 134 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1h49 s ILE 134 CO 0.00 0.47 0.58 -0.70 0.00 0.00 0.00 174.94 175.29 1h49 s GLU 135 N 0.40 4.17 0.08 2.79 2.56 -0.30 -3.45 118.70 124.95 1h49 s GLU 135 Ca 0.01 0.51 -0.30 0.00 0.00 0.00 0.00 54.97 55.18 1h49 s GLU 135 Cb -0.13 -3.60 -0.06 0.00 2.00 0.00 0.00 34.13 32.34 1h49 s GLU 135 CO 0.01 -0.26 1.14 -1.25 -0.56 0.00 0.00 175.26 174.33 1h49 s PRO 136 N 2.01 4.50 -0.32 4.30 0.04 -1.26 -1.94 135.00 142.33 1h49 s PRO 136 Ca 0.26 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1h49 s PRO 136 Cb -0.16 -3.34 0.07 0.00 0.04 0.00 0.00 34.50 31.11 1h49 s PRO 136 CO 0.10 -0.13 0.04 0.71 0.04 0.00 0.00 177.00 177.75 1h49 s TYR 137 N 0.68 3.37 -0.27 0.56 1.51 -0.65 -4.25 117.35 118.30 1h49 s TYR 137 Ca 0.55 -2.11 -0.10 0.00 -1.01 0.00 0.00 57.07 54.40 1h49 s TYR 137 Cb -0.28 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 1h49 s TYR 137 CO 0.31 -0.86 0.15 0.08 -1.11 0.00 0.00 175.55 174.12 1h49 s VAL 138 N 1.19 4.92 -0.24 0.71 1.01 -0.46 -2.32 120.40 125.20 1h49 s VAL 138 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 1h49 s VAL 138 Cb -0.20 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1h49 s VAL 138 CO -0.03 0.26 0.54 -0.89 0.00 0.00 0.00 175.10 174.98 1h49 s THR 139 N 1.70 5.06 0.09 3.92 2.01 0.00 -0.73 115.64 127.69 1h49 s THR 139 Ca 0.07 0.96 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 1h49 s THR 139 Cb -0.16 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1h49 s THR 139 CO 0.08 0.10 1.42 0.40 -0.69 0.00 0.00 174.62 175.93 1h49 h ILE 140 N 5.31 1.31 -3.29 1.82 2.04 -0.65 -2.20 117.51 121.84 1h49 h ILE 140 Ca -0.30 -1.41 -0.42 0.00 1.00 0.00 0.00 64.86 63.73 1h49 h ILE 140 Cb 1.14 1.61 -0.38 0.00 -0.74 0.00 0.00 36.82 38.45 1h49 h ILE 140 CO 0.74 0.45 -0.76 0.12 0.00 0.00 0.00 178.15 178.69 1h49 s PHE 141 N -4.38 0.60 -0.48 1.37 5.36 -0.99 -4.22 117.98 115.23 1h49 s PHE 141 Ca -0.13 -0.12 0.08 0.00 -0.96 0.00 0.00 56.93 55.80 1h49 s PHE 141 Cb 0.08 -0.73 0.33 0.00 -0.34 0.00 0.00 43.02 42.36 1h49 s PHE 141 CO 0.81 -0.29 0.82 1.58 -1.46 0.00 0.00 175.22 176.68 1h49 n HIS 142 N 5.00 2.15 -0.36 10.12 -0.00 -1.26 -3.35 115.22 127.51 1h49 n HIS 142 Ca -0.09 -3.91 0.00 0.00 -0.00 0.00 0.00 57.72 53.72 1h49 n HIS 142 Cb 0.50 -0.46 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 1h49 n HIS 142 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1h49 n TRP 143 N 0.14 0.00 -3.29 1.57 7.02 -1.26 -4.81 117.44 116.80 1h49 n TRP 143 Ca 0.28 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.31 1h49 n TRP 143 Cb 0.51 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1h49 n TRP 143 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 1h49 s ASP 144 N -3.15 7.25 0.10 -0.99 3.84 -1.26 -4.81 116.67 117.66 1h49 s ASP 144 Ca 0.00 -3.45 -0.29 0.00 -0.00 0.00 0.00 52.55 48.81 1h49 s ASP 144 Cb 0.00 -2.23 -0.06 0.00 -1.38 0.00 0.00 42.92 39.25 1h49 s ASP 144 CO 0.00 -0.37 0.90 -0.69 -0.00 0.00 0.00 175.17 175.02 1h49 s VAL 145 N -0.79 4.54 0.19 2.11 1.01 -1.26 -4.21 120.40 121.98 1h49 s VAL 145 Ca 0.31 1.95 -0.33 0.00 0.00 0.00 0.00 61.98 63.91 1h49 s VAL 145 Cb -0.09 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.89 1h49 s VAL 145 CO -0.07 0.34 1.52 -2.65 0.00 0.00 0.00 175.10 174.25 1h49 n PRO 146 N 2.69 2.14 0.27 2.72 -0.02 -1.26 -0.27 135.00 141.28 1h49 n PRO 146 Ca 0.01 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.40 1h49 n PRO 146 Cb 0.49 -2.50 0.78 0.00 -0.02 0.00 0.00 33.50 32.25 1h49 n PRO 146 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1h49 h GLN 147 N 5.30 0.00 -0.88 -0.52 5.75 -1.33 -1.38 115.11 122.06 1h49 h GLN 147 Ca -0.45 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1h49 h GLN 147 Cb 1.26 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.77 1h49 h GLN 147 CO 0.84 0.09 0.49 0.00 -2.65 0.00 0.00 178.83 177.60 1h49 h ALA 148 N 1.91 1.21 -0.04 3.38 0.00 -1.84 -0.76 119.26 123.11 1h49 h ALA 148 Ca -0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1h49 h ALA 148 Cb 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h49 h ALA 148 CO 0.01 0.64 -0.79 -0.07 0.00 0.00 0.00 179.25 179.05 1h49 h LEU 149 N 1.22 0.39 -0.40 0.00 3.38 -1.47 -1.74 115.31 116.70 1h49 h LEU 149 Ca 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h49 h LEU 149 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1h49 h LEU 149 CO -0.05 1.03 0.25 -0.33 0.09 0.00 0.00 178.44 179.43 1h49 h GLU 150 N 0.20 0.55 -0.10 1.13 4.39 -1.20 -2.09 114.58 117.47 1h49 h GLU 150 Ca -0.04 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 1h49 h GLU 150 Cb 1.38 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1h49 h GLU 150 CO 0.13 0.40 -0.54 0.93 -1.16 0.00 0.00 179.01 178.77 1h49 h GLU 151 N 0.53 0.29 0.45 2.33 5.08 -1.06 0.18 114.58 122.39 1h49 h GLU 151 Ca 0.15 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1h49 h GLU 151 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1h49 h GLU 151 CO -0.03 0.76 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.30 1h49 h LYS 152 N 0.22 -0.59 0.00 2.33 3.64 -1.23 -3.42 116.57 117.53 1h49 h LYS 152 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1h49 h LYS 152 Cb 1.02 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1h49 h LYS 152 CO 0.09 -0.29 -0.26 2.48 -2.27 0.00 0.00 179.45 179.20 1h49 n TYR 153 N -5.21 0.00 -0.98 1.91 0.18 -0.83 -5.02 117.16 107.21 1h49 n TYR 153 Ca -0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.68 1h49 n TYR 153 Cb 0.29 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.24 1h49 n TYR 153 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h49 n GLY 154 N 0.00 0.42 7.00 -7.48 0.00 0.05 -3.50 105.19 101.68 1h49 n GLY 154 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1h49 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h49 n GLY 155 N -2.98 3.94 0.00 -0.02 0.00 -0.91 -1.53 105.19 103.70 1h49 n GLY 155 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1h49 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h49 n PHE 156 N 14.00 0.00 1.07 1.61 3.72 -1.26 -1.99 117.46 134.61 1h49 n PHE 156 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1h49 n PHE 156 Cb 0.00 -0.36 0.56 0.00 -0.94 0.00 0.00 39.48 38.75 1h49 n PHE 156 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1h49 n LEU 157 N -1.36 0.00 -4.42 4.37 4.77 -0.58 -3.55 117.00 116.23 1h49 n LEU 157 Ca 0.08 0.26 -0.48 0.00 -0.03 0.00 0.00 56.01 55.83 1h49 n LEU 157 Cb 0.17 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1h49 n LEU 157 CO 0.15 -0.07 1.96 -0.67 -1.33 0.00 0.00 177.39 177.43 1h49 n ASP 158 N -1.26 1.10 0.27 -1.43 4.64 -0.84 -4.82 116.55 114.20 1h49 n ASP 158 Ca 0.11 0.30 0.18 0.00 -1.38 0.00 0.00 54.79 53.99 1h49 n ASP 158 Cb 0.17 -1.07 0.77 0.00 -1.04 0.00 0.00 41.12 39.94 1h49 n ASP 158 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1h49 h LYS 159 N 12.12 0.00 0.00 -0.67 1.57 -1.91 -2.36 116.57 125.32 1h49 h LYS 159 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1h49 h LYS 159 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1h49 h LYS 159 CO 1.19 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.73 1h49 h SER 160 N 0.00 0.00 -4.94 0.86 4.64 -1.96 -3.47 113.55 108.68 1h49 h SER 160 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1h49 h SER 160 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1h49 h SER 160 CO 0.00 0.00 -0.52 1.41 -0.87 0.00 0.00 176.83 176.85 1h49 n HIS 161 N -2.67 -1.75 0.10 4.77 8.25 -0.89 -4.74 115.22 118.29 1h49 n HIS 161 Ca 0.03 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1h49 n HIS 161 Cb 0.37 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 28.26 1h49 n HIS 161 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1h49 n LYS 162 N -3.61 0.00 -0.09 -0.41 4.81 -1.26 -4.81 118.16 112.79 1h49 n LYS 162 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.29 1h49 n LYS 162 Cb 0.57 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 1h49 n LYS 162 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1h49 h SER 163 N 0.00 0.38 -0.23 3.14 0.02 -1.94 0.01 113.55 114.94 1h49 h SER 163 Ca 0.00 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1h49 h SER 163 Cb 0.00 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1h49 h SER 163 CO 0.00 0.34 -0.05 -0.29 -1.14 0.00 0.00 176.83 175.69 1h49 h ILE 164 N 0.39 1.22 -0.36 3.27 6.09 -1.93 -1.34 117.51 124.87 1h49 h ILE 164 Ca 0.11 -0.93 -0.08 0.00 -1.37 0.00 0.00 64.86 62.59 1h49 h ILE 164 Cb 0.04 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.33 1h49 h ILE 164 CO -0.02 0.32 -0.07 0.58 -3.07 0.00 0.00 178.15 175.88 1h49 h VAL 165 N 0.54 1.27 -0.29 2.19 2.07 -1.74 0.23 116.25 120.52 1h49 h VAL 165 Ca 0.11 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1h49 h VAL 165 Cb 0.43 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1h49 h VAL 165 CO 0.02 0.37 0.13 -0.33 0.02 0.00 0.00 177.57 177.78 1h49 h GLU 166 N 0.47 0.42 -0.28 1.57 5.08 -0.85 -1.33 114.58 119.67 1h49 h GLU 166 Ca 0.09 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1h49 h GLU 166 Cb 0.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1h49 h GLU 166 CO 0.03 0.42 -0.47 -0.44 -1.00 0.00 0.00 179.01 177.56 1h49 h ASP 167 N 0.33 0.80 -0.54 1.42 3.32 -1.15 -1.27 116.42 119.33 1h49 h ASP 167 Ca 0.10 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.64 1h49 h ASP 167 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1h49 h ASP 167 CO -0.01 1.14 -0.12 0.22 -1.72 0.00 0.00 179.24 178.75 1h49 h TYR 168 N 0.59 1.17 -0.56 4.55 3.20 -0.94 -1.61 116.97 123.37 1h49 h TYR 168 Ca 0.03 -0.25 -0.06 0.00 3.14 0.00 0.00 58.73 61.59 1h49 h TYR 168 Cb 1.03 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1h49 h TYR 168 CO 0.05 1.08 0.10 1.15 -1.64 0.00 0.00 178.16 178.91 1h49 h THR 169 N 0.92 1.25 -0.77 1.81 2.02 -1.02 0.15 112.91 117.27 1h49 h THR 169 Ca 0.14 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1h49 h THR 169 Cb 0.70 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1h49 h THR 169 CO 0.05 0.35 0.38 0.22 0.37 0.00 0.00 175.52 176.89 1h49 h TYR 170 N 0.82 1.09 -0.25 3.16 3.20 -1.10 -0.17 116.97 123.72 1h49 h TYR 170 Ca 0.17 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1h49 h TYR 170 Cb 0.39 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1h49 h TYR 170 CO 0.03 0.79 0.05 0.35 -1.64 0.00 0.00 178.16 177.74 1h49 h PHE 171 N 1.08 0.08 -0.54 -3.82 3.57 -0.65 0.75 116.94 117.41 1h49 h PHE 171 Ca 0.27 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1h49 h PHE 171 Cb 0.10 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1h49 h PHE 171 CO 0.01 0.02 0.21 0.00 -2.23 0.00 0.00 178.31 176.32 1h49 h ALA 172 N 1.18 0.68 -0.26 2.41 0.00 -0.58 -1.81 119.26 120.88 1h49 h ALA 172 Ca 0.12 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1h49 h ALA 172 Cb 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1h49 h ALA 172 CO -0.15 -0.19 -0.02 -0.22 0.00 0.00 0.00 179.25 178.67 1h49 h LYS 173 N 0.40 0.06 -0.60 0.00 3.64 -0.31 0.11 116.57 119.86 1h49 h LYS 173 Ca 0.26 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 1h49 h LYS 173 Cb 0.28 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 1h49 h LYS 173 CO -0.25 0.04 0.22 0.28 -2.27 0.00 0.00 179.45 177.46 1h49 h VAL 174 N 0.06 0.77 -0.58 2.00 2.07 -0.38 0.21 116.25 120.40 1h49 h VAL 174 Ca 0.12 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1h49 h VAL 174 Cb 0.17 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1h49 h VAL 174 CO -0.22 0.07 0.27 0.00 0.02 0.00 0.00 177.57 177.71 1h49 h PHE 176 N 0.78 0.61 -0.63 0.00 0.04 -0.26 0.59 116.94 118.08 1h49 h PHE 176 Ca 0.20 -0.11 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1h49 h PHE 176 Cb 0.13 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 1h49 h PHE 176 CO -0.00 0.70 0.40 -0.44 -0.60 0.00 0.00 178.31 178.37 1h49 h ASP 177 N 0.35 0.68 0.99 2.17 3.45 -0.52 0.78 116.42 124.31 1h49 h ASP 177 Ca 0.09 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 1h49 h ASP 177 Cb 0.46 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 1h49 h ASP 177 CO 0.02 0.48 -1.07 0.78 -1.57 0.00 0.00 179.24 177.87 1h49 h ASN 178 N 0.81 0.00 0.00 6.45 4.21 -1.07 -3.40 115.58 122.58 1h49 h ASN 178 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1h49 h ASN 178 Cb -0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1h49 h ASN 178 CO -0.08 0.42 0.00 0.49 -1.29 0.00 0.00 177.43 176.97 1h49 n PHE 179 N -2.93 0.00 0.27 1.19 3.72 0.18 -4.85 117.46 115.04 1h49 n PHE 179 Ca -0.05 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.50 1h49 n PHE 179 Cb 0.75 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 40.03 1h49 n PHE 179 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1h49 h GLY 180 N 0.00 0.00 2.00 1.37 0.00 -0.88 -0.87 103.07 104.69 1h49 h GLY 180 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1h49 h GLY 180 CO 0.00 0.00 -0.36 1.29 0.00 0.00 0.00 176.54 177.47 1h49 h ASP 181 N 0.00 0.00 0.00 0.19 2.03 -1.88 -3.33 116.42 113.43 1h49 h ASP 181 Ca -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1h49 h ASP 181 Cb 0.38 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 1h49 h ASP 181 CO 0.01 0.36 -1.86 0.29 -1.03 0.00 0.00 179.24 177.01 1h49 n LYS 182 N -3.56 0.98 -3.73 4.15 4.76 -0.59 -4.98 118.16 115.20 1h49 n LYS 182 Ca -0.00 -0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 1h49 n LYS 182 Cb 0.49 -1.38 -0.08 0.00 -1.84 0.00 0.00 35.03 32.22 1h49 n LYS 182 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1h49 s VAL 183 N -2.77 5.41 -1.01 -0.18 1.01 -0.44 -4.91 120.40 117.52 1h49 s VAL 183 Ca -0.07 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1h49 s VAL 183 Cb 0.08 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1h49 s VAL 183 CO 0.64 0.45 0.79 0.29 0.00 0.00 0.00 175.10 177.27 1h49 n LYS 184 N 3.36 0.34 -3.50 2.72 5.02 -1.26 -4.78 118.16 120.06 1h49 n LYS 184 Ca -0.16 -1.06 -0.19 0.00 -2.02 0.00 0.00 58.31 54.89 1h49 n LYS 184 Cb 0.52 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.24 1h49 n LYS 184 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1h49 s ASN 185 N -0.71 1.40 -0.01 4.39 0.01 -1.26 -0.93 114.94 117.83 1h49 s ASN 185 Ca 0.10 -0.23 0.07 0.00 -0.71 0.00 0.00 52.86 52.10 1h49 s ASN 185 Cb 0.07 0.36 -0.02 0.00 0.41 0.00 0.00 41.25 42.06 1h49 s ASN 185 CO 0.10 -0.33 -0.24 0.26 -1.51 0.00 0.00 177.10 175.39 1h49 s TRP 186 N 2.32 2.40 -0.10 2.20 0.52 -0.65 -1.36 118.94 124.27 1h49 s TRP 186 Ca 0.07 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1h49 s TRP 186 Cb -0.16 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1h49 s TRP 186 CO -0.12 0.03 -0.15 -0.51 0.02 0.00 0.00 176.95 176.22 1h49 s LEU 187 N -0.74 1.70 0.05 2.99 1.43 0.09 -1.57 118.68 122.64 1h49 s LEU 187 Ca 0.11 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1h49 s LEU 187 Cb -0.10 -1.05 -0.14 0.00 0.03 0.00 0.00 46.19 44.93 1h49 s LEU 187 CO -0.00 0.02 1.33 0.71 0.23 0.00 0.00 176.35 178.63 1h49 h THR 188 N 5.96 1.35 -3.80 5.49 1.35 -1.37 0.24 112.91 122.12 1h49 h THR 188 Ca -0.30 -1.49 -0.25 0.00 -0.55 0.00 0.00 66.41 63.81 1h49 h THR 188 Cb 1.18 1.89 -0.16 0.00 -1.73 0.00 0.00 68.15 69.33 1h49 h THR 188 CO 0.48 0.45 -0.71 -0.36 -0.25 0.00 0.00 175.52 175.13 1h49 s PHE 189 N -4.13 0.90 -0.03 4.73 0.40 -1.26 -2.34 117.98 116.24 1h49 s PHE 189 Ca -0.13 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.40 1h49 s PHE 189 Cb 0.06 -0.51 0.03 0.00 0.51 0.00 0.00 43.02 43.11 1h49 s PHE 189 CO 0.79 -0.10 0.01 1.21 0.70 0.00 0.00 175.22 177.83 1h49 s ASN 190 N -2.73 0.42 -1.22 1.36 2.47 -1.21 -1.64 114.94 112.39 1h49 s ASN 190 Ca 0.08 -0.01 -0.01 0.00 0.42 0.00 0.00 52.86 53.34 1h49 s ASN 190 Cb 0.01 -0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.62 1h49 s ASN 190 CO -0.03 -0.11 0.99 0.47 -3.72 0.00 0.00 177.10 174.70 1h49 n ASP 191 N 4.21 -2.33 -0.26 -4.21 9.92 -0.73 -4.84 116.55 118.31 1h49 n ASP 191 Ca -0.26 -0.63 -0.01 0.00 -0.53 0.00 0.00 54.79 53.37 1h49 n ASP 191 Cb 0.50 -5.03 0.20 0.00 -0.64 0.00 0.00 41.12 36.14 1h49 n ASP 191 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1h49 h PRO 192 N -1.96 1.09 -0.49 -0.24 0.13 -1.91 -0.92 132.00 127.69 1h49 h PRO 192 Ca -0.59 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.37 1h49 h PRO 192 Cb 1.34 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1h49 h PRO 192 CO 0.51 0.74 -0.06 0.37 -0.23 0.00 0.00 178.00 179.33 1h49 h GLN 193 N 1.11 0.91 -0.20 0.86 -0.00 -1.89 -1.37 115.11 114.54 1h49 h GLN 193 Ca 0.30 -0.32 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 1h49 h GLN 193 Cb -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.32 1h49 h GLN 193 CO -0.06 0.97 -0.15 1.15 0.00 0.00 0.00 178.83 180.73 1h49 h THR 194 N 0.76 1.32 -0.29 2.39 2.02 -1.85 -0.81 112.91 116.45 1h49 h THR 194 Ca 0.13 -1.28 0.06 0.00 0.77 0.00 0.00 66.41 66.09 1h49 h THR 194 Cb 0.60 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1h49 h THR 194 CO 0.04 0.39 -0.09 0.15 0.37 0.00 0.00 175.52 176.38 1h49 h PHE 195 N 0.12 -0.19 -0.10 3.16 3.57 -1.06 -0.73 116.94 121.71 1h49 h PHE 195 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1h49 h PHE 195 Cb 0.68 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1h49 h PHE 195 CO 0.07 -0.14 -0.17 1.79 -2.23 0.00 0.00 178.31 177.63 1h49 h THR 196 N -0.02 1.38 -0.17 4.41 1.35 -1.25 -2.01 112.91 116.60 1h49 h THR 196 Ca 0.14 -1.41 -0.14 0.00 -0.55 0.00 0.00 66.41 64.45 1h49 h THR 196 Cb 0.24 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1h49 h THR 196 CO -0.31 0.41 -0.48 0.28 -0.25 0.00 0.00 175.52 175.16 1h49 h SER 197 N -0.13 0.48 0.35 5.36 0.02 -1.11 -2.52 113.55 115.99 1h49 h SER 197 Ca 0.01 -0.23 -0.31 0.00 -0.84 0.00 0.00 61.79 60.41 1h49 h SER 197 Cb 0.73 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 1h49 h SER 197 CO 0.04 0.88 -1.91 0.52 -1.14 0.00 0.00 176.83 175.22 1h49 n VAL 198 N -3.98 1.54 0.07 2.27 0.31 -0.29 -1.36 118.33 116.89 1h49 n VAL 198 Ca -0.02 -0.81 -0.10 0.00 -0.01 0.00 0.00 64.34 63.40 1h49 n VAL 198 Cb 0.55 -0.86 -0.13 0.00 -0.91 0.00 0.00 33.84 32.49 1h49 n VAL 198 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1h49 h SER 199 N 0.00 0.13 0.00 4.52 0.02 -1.45 -0.52 113.55 116.24 1h49 h SER 199 Ca -0.36 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1h49 h SER 199 Cb 2.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1h49 h SER 199 CO 0.06 1.11 0.00 -1.22 -1.14 0.00 0.00 176.83 175.64 1h49 n TYR 200 N -3.40 0.00 -0.00 3.45 4.01 -0.95 -2.06 117.16 118.20 1h49 n TYR 200 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 1h49 n TYR 200 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1h49 n TYR 200 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h49 n GLY 201 N 0.26 -0.29 0.20 2.72 0.00 -0.73 -4.08 105.19 103.27 1h49 n GLY 201 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1h49 n GLY 201 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h49 h THR 202 N -0.08 0.00 -1.36 2.61 1.35 -1.39 -3.41 112.91 110.64 1h49 h THR 202 Ca 0.00 -0.90 -0.41 0.00 -0.55 0.00 0.00 66.41 64.55 1h49 h THR 202 Cb 0.08 1.90 -0.13 0.00 -1.73 0.00 0.00 68.15 68.26 1h49 h THR 202 CO 0.00 0.00 -0.40 0.61 -0.25 0.00 0.00 175.52 175.48 1h49 n GLY 203 N 1.11 1.43 0.13 5.82 0.00 -0.62 -4.68 105.19 108.38 1h49 n GLY 203 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1h49 n GLY 203 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1h49 h VAL 204 N 0.00 1.38 -2.84 1.61 -1.51 -1.43 -3.38 116.25 110.08 1h49 h VAL 204 Ca -0.43 -2.34 -0.57 0.00 -1.23 0.00 0.00 66.70 62.14 1h49 h VAL 204 Cb 1.32 2.29 -0.03 0.00 -2.13 0.00 0.00 31.29 32.75 1h49 h VAL 204 CO 0.60 0.65 -0.41 -0.36 -1.23 0.00 0.00 177.57 176.82 1h49 s PHE 205 N -3.36 3.49 0.16 5.19 0.08 -0.94 -4.78 117.98 117.84 1h49 s PHE 205 Ca -0.00 0.30 -0.33 0.00 0.12 0.00 0.00 56.93 57.01 1h49 s PHE 205 Cb 0.11 -1.81 -0.16 0.00 -0.57 0.00 0.00 43.02 40.60 1h49 s PHE 205 CO 0.76 0.48 1.23 0.00 -0.10 0.00 0.00 175.22 177.59 1h49 n ALA 206 N -0.25 -0.58 1.58 5.36 0.00 -1.26 -0.53 120.51 124.83 1h49 n ALA 206 Ca -0.05 0.47 0.14 0.00 0.00 0.00 0.00 53.44 54.00 1h49 n ALA 206 Cb 0.53 -2.07 0.59 0.00 0.00 0.00 0.00 19.45 18.50 1h49 n ALA 206 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h49 n PRO 207 N 1.96 1.52 -1.41 0.00 -0.04 -1.26 -4.71 135.00 131.06 1h49 n PRO 207 Ca 0.15 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1h49 n PRO 207 Cb 0.24 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1h49 n PRO 207 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h49 n GLY 208 N 1.13 0.72 3.79 0.55 0.00 0.31 -4.72 105.19 106.97 1h49 n GLY 208 Ca 0.20 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1h49 n GLY 208 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h49 s ARG 209 N -2.63 3.22 0.27 1.61 0.52 -0.88 -0.71 118.95 120.36 1h49 s ARG 209 Ca 0.00 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 1h49 s ARG 209 Cb 0.00 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.47 1h49 s ARG 209 CO 0.00 0.74 0.58 0.00 0.02 0.00 0.00 175.30 176.64 1h49 s SER 211 N -3.00 5.08 0.26 0.00 0.01 -1.26 -1.02 113.70 113.77 1h49 s SER 211 Ca 0.18 2.57 -0.30 0.00 1.31 0.00 0.00 55.95 59.71 1h49 s SER 211 Cb -0.03 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.45 1h49 s SER 211 CO 0.09 -1.68 1.25 -2.65 0.41 0.00 0.00 173.24 170.66 1h49 n PRO 212 N -1.46 1.74 -0.27 12.44 -0.02 -1.01 -1.97 135.00 144.45 1h49 n PRO 212 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1h49 n PRO 212 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1h49 n PRO 212 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h49 n GLY 213 N 1.64 0.68 3.63 -1.23 0.00 -1.26 -5.06 105.19 103.58 1h49 n GLY 213 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1h49 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h49 s LEU 214 N 0.00 3.14 -0.51 0.99 1.43 -0.83 -5.10 118.68 117.80 1h49 s LEU 214 Ca 0.00 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 1h49 s LEU 214 Cb 0.00 -1.70 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1h49 s LEU 214 CO 0.00 0.03 0.52 -0.62 0.23 0.00 0.00 176.35 176.51 1h49 s ASP 215 N -3.45 6.18 0.33 2.29 2.15 -1.26 -4.76 116.67 118.15 1h49 s ASP 215 Ca 0.30 -1.27 -0.09 0.00 0.43 0.00 0.00 52.55 51.93 1h49 s ASP 215 Cb -0.07 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1h49 s ASP 215 CO 0.19 -0.81 0.55 0.00 -0.17 0.00 0.00 175.17 174.93 1h49 h ALA 217 N 2.12 1.07 -2.81 0.00 0.00 -1.75 -3.34 119.26 114.55 1h49 h ALA 217 Ca -0.28 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 1h49 h ALA 217 Cb 1.25 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 1h49 h ALA 217 CO 0.38 0.06 -0.76 0.71 0.00 0.00 0.00 179.25 179.64 1h49 s TYR 218 N -6.05 2.27 0.00 0.00 1.51 0.11 -4.99 117.35 110.20 1h49 s TYR 218 Ca -0.13 -2.74 -0.03 0.00 -1.01 0.00 0.00 57.07 53.17 1h49 s TYR 218 Cb 0.18 -1.86 -0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1h49 s TYR 218 CO 0.77 -0.71 2.51 -0.35 -1.11 0.00 0.00 175.55 176.67 1h49 n PRO 219 N 2.70 1.32 -0.09 -1.71 -0.04 -1.26 -2.35 135.00 133.58 1h49 n PRO 219 Ca 0.20 -0.43 0.06 0.00 -0.04 0.00 0.00 63.50 63.29 1h49 n PRO 219 Cb 0.39 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1h49 n PRO 219 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h49 n THR 220 N 2.03 1.35 -0.44 0.52 -2.24 -1.09 -2.41 114.28 112.00 1h49 n THR 220 Ca 0.18 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 1h49 n THR 220 Cb 0.63 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1h49 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h49 n GLY 221 N -0.95 1.52 2.94 3.38 0.00 -0.19 -4.92 105.19 106.97 1h49 n GLY 221 Ca 0.09 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1h49 n GLY 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h49 s ASN 222 N -1.00 0.11 0.33 1.61 3.84 -1.26 -4.30 114.94 114.27 1h49 s ASN 222 Ca 0.00 -0.21 0.24 0.00 0.21 0.00 0.00 52.86 53.10 1h49 s ASN 222 Cb 0.00 1.23 1.19 0.00 -0.55 0.00 0.00 41.25 43.12 1h49 s ASN 222 CO 0.00 -0.34 1.73 0.28 -2.79 0.00 0.00 177.10 175.98 1h49 h SER 223 N 8.14 0.00 0.23 -4.21 0.02 -1.82 0.13 113.55 116.03 1h49 h SER 223 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1h49 h SER 223 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1h49 h SER 223 CO 0.25 0.00 -0.87 0.18 -1.14 0.00 0.00 176.83 175.25 1h49 n LEU 224 N -2.33 0.75 0.02 5.07 4.32 -1.26 -1.41 117.00 122.17 1h49 n LEU 224 Ca -0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1h49 n LEU 224 Cb 0.11 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1h49 n LEU 224 CO 0.14 0.17 -0.28 0.52 -1.22 0.00 0.00 177.39 176.73 1h49 n VAL 225 N -1.59 0.24 -0.30 4.08 0.31 -0.66 -4.79 118.33 115.61 1h49 n VAL 225 Ca 0.04 0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.50 1h49 n VAL 225 Cb 0.35 -1.27 0.20 0.00 -0.91 0.00 0.00 33.84 32.22 1h49 n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1h49 h GLU 226 N 0.00 0.74 -0.92 5.55 5.08 -1.07 -0.30 114.58 123.67 1h49 h GLU 226 Ca 0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1h49 h GLU 226 Cb 0.55 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1h49 h GLU 226 CO 0.00 0.49 0.57 -1.35 -1.00 0.00 0.00 179.01 177.73 1h49 h PRO 227 N 0.76 1.00 -0.16 2.33 0.11 -1.77 -0.07 132.00 134.21 1h49 h PRO 227 Ca 0.44 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.33 1h49 h PRO 227 Cb 0.49 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1h49 h PRO 227 CO -0.29 0.66 -0.56 1.88 -0.21 0.00 0.00 178.00 179.48 1h49 h TYR 228 N 1.03 0.63 -0.07 0.65 0.05 -1.54 0.73 116.97 118.44 1h49 h TYR 228 Ca 0.41 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1h49 h TYR 228 Cb 0.21 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1h49 h TYR 228 CO -0.02 0.95 0.03 1.15 -1.05 0.00 0.00 178.16 179.22 1h49 h THR 229 N 0.38 1.11 -0.59 -2.88 2.02 -0.42 -0.50 112.91 112.03 1h49 h THR 229 Ca 0.00 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1h49 h THR 229 Cb 1.10 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1h49 h THR 229 CO 0.10 0.09 0.25 0.00 0.37 0.00 0.00 175.52 176.33 1h49 h ALA 230 N 0.91 0.76 -0.71 6.16 0.00 -0.99 -2.09 119.26 123.31 1h49 h ALA 230 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1h49 h ALA 230 Cb 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1h49 h ALA 230 CO -0.00 0.36 0.43 0.78 0.00 0.00 0.00 179.25 180.82 1h49 h GLY 231 N 0.80 1.04 2.00 0.00 0.00 -0.72 -0.62 103.07 105.58 1h49 h GLY 231 Ca 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1h49 h GLY 231 CO -0.02 0.25 -0.64 1.12 0.00 0.00 0.00 176.54 177.25 1h49 h HIS 232 N 0.83 0.00 -0.52 5.60 2.07 -0.81 -1.94 115.15 120.37 1h49 h HIS 232 Ca 0.30 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.71 1h49 h HIS 232 Cb 0.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.04 1h49 h HIS 232 CO -0.05 0.64 -0.10 -0.91 -3.07 0.00 0.00 177.93 174.44 1h49 h ASN 233 N 0.00 0.96 -0.48 3.10 2.35 -0.82 -0.63 115.58 120.05 1h49 h ASN 233 Ca -0.01 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.46 1h49 h ASN 233 Cb 1.18 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1h49 h ASN 233 CO 0.08 1.07 0.29 0.40 -1.65 0.00 0.00 177.43 177.62 1h49 h ILE 234 N 0.86 1.06 -0.48 2.81 2.04 -0.85 0.92 117.51 123.87 1h49 h ILE 234 Ca 0.14 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 1h49 h ILE 234 Cb 0.64 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1h49 h ILE 234 CO 0.04 0.11 -0.16 -0.07 0.00 0.00 0.00 178.15 178.07 1h49 h LEU 235 N 0.58 0.97 -0.86 1.44 3.38 -1.04 0.52 115.31 120.31 1h49 h LEU 235 Ca 0.19 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1h49 h LEU 235 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1h49 h LEU 235 CO -0.08 1.13 0.02 -0.07 0.09 0.00 0.00 178.44 179.53 1h49 h LEU 236 N 0.81 0.83 -0.29 1.67 3.38 -0.85 -2.16 115.31 118.71 1h49 h LEU 236 Ca 0.12 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1h49 h LEU 236 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1h49 h LEU 236 CO 0.06 0.88 -0.18 0.00 0.09 0.00 0.00 178.44 179.29 1h49 h ALA 237 N 1.21 0.41 -0.67 1.53 0.00 -0.51 -2.35 119.26 118.87 1h49 h ALA 237 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1h49 h ALA 237 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1h49 h ALA 237 CO 0.02 0.33 0.33 1.12 0.00 0.00 0.00 179.25 181.05 1h49 h HIS 238 N 0.37 0.93 -0.20 0.00 2.07 -0.79 -1.58 115.15 115.96 1h49 h HIS 238 Ca 0.06 -0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.38 1h49 h HIS 238 Cb 0.72 -0.30 -0.00 0.00 2.57 0.00 0.00 27.41 30.40 1h49 h HIS 238 CO 0.07 0.68 -0.58 0.00 -3.07 0.00 0.00 177.93 175.02 1h49 h ALA 239 N 1.42 0.61 -0.41 6.11 0.00 -1.26 0.26 119.26 126.00 1h49 h ALA 239 Ca 0.23 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1h49 h ALA 239 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h49 h ALA 239 CO -0.03 0.69 -0.22 1.49 0.00 0.00 0.00 179.25 181.18 1h49 h GLU 240 N 0.48 0.88 -0.38 0.00 4.57 -1.25 -1.71 114.58 117.16 1h49 h GLU 240 Ca 0.00 -0.39 -0.15 0.00 -1.18 0.00 0.00 59.36 57.64 1h49 h GLU 240 Cb 1.14 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1h49 h GLU 240 CO 0.11 1.04 -0.36 0.00 -1.18 0.00 0.00 179.01 178.63 1h49 h ALA 241 N 0.82 0.64 -0.36 2.92 0.00 -0.95 -0.72 119.26 121.61 1h49 h ALA 241 Ca 0.09 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1h49 h ALA 241 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1h49 h ALA 241 CO 0.06 0.67 -0.22 0.28 0.00 0.00 0.00 179.25 180.05 1h49 h VAL 242 N 0.74 1.27 -0.16 0.00 2.07 -0.94 -0.15 116.25 119.07 1h49 h VAL 242 Ca 0.07 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1h49 h VAL 242 Cb 0.94 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1h49 h VAL 242 CO 0.09 0.43 0.04 -0.78 0.02 0.00 0.00 177.57 177.36 1h49 h ASP 243 N 0.61 0.25 -0.07 0.57 -0.00 -1.11 0.11 116.42 116.78 1h49 h ASP 243 Ca 0.09 -0.24 0.02 0.00 -0.00 0.00 0.00 57.03 56.90 1h49 h ASP 243 Cb 0.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.95 1h49 h ASP 243 CO 0.05 0.43 -0.03 0.25 -0.00 0.00 0.00 179.24 179.94 1h49 h LEU 244 N 0.07 -0.11 -0.61 2.28 5.85 -1.00 -2.63 115.31 119.16 1h49 h LEU 244 Ca 0.05 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1h49 h LEU 244 Cb 0.27 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1h49 h LEU 244 CO 0.00 -0.04 0.24 0.22 -0.34 0.00 0.00 178.44 178.51 1h49 h TYR 245 N -0.03 0.41 -0.23 1.25 3.20 -0.88 -2.56 116.97 118.14 1h49 h TYR 245 Ca 0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1h49 h TYR 245 Cb 0.08 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1h49 h TYR 245 CO -0.14 0.11 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.45 1h49 h ASN 246 N 0.42 0.36 -0.00 -2.11 -0.26 -0.60 0.25 115.58 113.64 1h49 h ASN 246 Ca 0.31 -0.08 -0.09 0.00 -0.56 0.00 0.00 56.30 55.87 1h49 h ASN 246 Cb 0.38 -0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.55 1h49 h ASN 246 CO -0.30 0.52 -0.35 0.11 -1.06 0.00 0.00 177.43 176.34 1h49 h LYS 247 N 0.35 0.25 0.00 0.81 1.57 -1.10 -3.41 116.57 115.05 1h49 h LYS 247 Ca 0.07 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1h49 h LYS 247 Cb 0.44 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1h49 h LYS 247 CO 0.03 0.97 -0.99 0.72 -0.57 0.00 0.00 179.45 179.61 1h49 n HIS 248 N -4.42 0.00 0.00 -1.35 8.25 -1.02 -4.87 115.22 111.81 1h49 n HIS 248 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1h49 n HIS 248 Cb 0.55 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1h49 n HIS 248 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h49 n TYR 249 N -1.53 0.00 -1.96 4.41 4.01 -0.62 -5.04 117.16 116.44 1h49 n TYR 249 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1h49 n TYR 249 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1h49 n TYR 249 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1h49 s LYS 250 N -1.67 4.23 0.41 -0.72 2.20 0.77 -5.02 119.74 119.94 1h49 s LYS 250 Ca 0.00 2.36 0.07 0.00 -0.36 0.00 0.00 55.97 58.04 1h49 s LYS 250 Cb 0.00 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1h49 s LYS 250 CO 0.00 -0.51 0.06 1.03 -0.36 0.00 0.00 175.35 175.57 1h49 s ARG 251 N 0.10 2.03 0.51 4.03 0.52 -1.26 -5.00 118.95 119.87 1h49 s ARG 251 Ca 0.63 -2.04 0.19 0.00 -0.52 0.00 0.00 55.73 53.99 1h49 s ARG 251 Cb -0.43 -1.73 1.27 0.00 0.52 0.00 0.00 34.95 34.57 1h49 s ARG 251 CO 0.40 -0.07 2.05 -0.44 0.02 0.00 0.00 175.30 177.26 1h49 h ASP 252 N 1.67 0.08 -0.39 0.23 3.45 -2.03 -2.45 116.42 116.99 1h49 h ASP 252 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1h49 h ASP 252 Cb 1.24 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1h49 h ASP 252 CO 0.78 0.05 0.00 -0.90 -1.57 0.00 0.00 179.24 177.60 1h49 n ASP 253 N -4.46 3.79 -4.63 6.45 5.75 -1.26 -4.98 116.55 117.22 1h49 n ASP 253 Ca 0.05 -2.53 -0.23 0.00 -0.01 0.00 0.00 54.79 52.07 1h49 n ASP 253 Cb 0.35 -0.44 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 1h49 n ASP 253 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1h49 s THR 254 N -1.96 3.36 -0.01 2.12 -4.23 -0.92 -4.92 115.64 109.08 1h49 s THR 254 Ca 0.38 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 1h49 s THR 254 Cb 0.26 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1h49 s THR 254 CO 0.15 -0.36 0.19 -0.13 -0.54 0.00 0.00 174.62 173.93 1h49 s ARG 255 N -3.60 0.49 0.03 3.99 0.52 -0.11 -4.72 118.95 115.56 1h49 s ARG 255 Ca 0.31 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1h49 s ARG 255 Cb -0.06 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 1h49 s ARG 255 CO 0.19 -0.12 -0.05 -1.50 0.02 0.00 0.00 175.30 173.84 1h49 s ILE 256 N -1.15 0.34 0.00 1.52 2.07 -1.26 -1.64 121.20 121.08 1h49 s ILE 256 Ca -0.12 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 1h49 s ILE 256 Cb -0.06 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.12 1h49 s ILE 256 CO 0.02 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.34 1h49 n GLY 257 N 1.85 2.06 3.49 1.50 0.00 -0.60 -0.82 105.19 112.66 1h49 n GLY 257 Ca -0.21 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1h49 n GLY 257 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1h49 s LEU 258 N 0.00 0.51 -0.13 0.99 2.34 -1.25 -1.01 118.68 120.14 1h49 s LEU 258 Ca 0.00 -0.92 0.03 0.00 0.06 0.00 0.00 54.13 53.29 1h49 s LEU 258 Cb 0.00 1.54 0.00 0.00 -0.56 0.00 0.00 46.19 47.18 1h49 s LEU 258 CO 0.00 -1.05 -0.21 0.00 -1.06 0.00 0.00 176.35 174.03 1h49 s ALA 259 N -4.01 2.28 -0.14 1.48 0.00 -0.65 -0.73 121.76 119.98 1h49 s ALA 259 Ca 0.22 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 1h49 s ALA 259 Cb 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1h49 s ALA 259 CO 0.06 0.11 0.13 -0.06 0.00 0.00 0.00 175.76 176.00 1h49 s PHE 260 N 0.61 3.52 0.14 0.00 0.40 -0.20 -1.77 117.98 120.68 1h49 s PHE 260 Ca -0.11 0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 1h49 s PHE 260 Cb -0.16 -2.01 -0.07 0.00 0.51 0.00 0.00 43.02 41.29 1h49 s PHE 260 CO 0.03 0.58 0.94 0.16 0.70 0.00 0.00 175.22 177.63 1h49 s ASP 261 N -0.57 7.51 -0.11 1.36 1.47 -1.26 -0.35 116.67 124.72 1h49 s ASP 261 Ca 0.13 1.81 -0.06 0.00 1.18 0.00 0.00 52.55 55.60 1h49 s ASP 261 Cb -0.12 -2.58 0.04 0.00 -0.34 0.00 0.00 42.92 39.92 1h49 s ASP 261 CO 0.02 0.00 0.27 0.54 0.68 0.00 0.00 175.17 176.68 1h49 s VAL 262 N -0.34 -0.03 -0.19 2.11 0.11 -0.74 -4.64 120.40 116.69 1h49 s VAL 262 Ca 0.45 0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 59.47 1h49 s VAL 262 Cb -0.24 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1h49 s VAL 262 CO 0.30 0.05 0.31 -0.32 -3.33 0.00 0.00 175.10 172.10 1h49 s MET 263 N 1.04 4.21 0.72 1.54 1.75 -1.26 -4.31 119.30 122.99 1h49 s MET 263 Ca -0.07 0.08 -0.16 0.00 -1.25 0.00 0.00 55.69 54.28 1h49 s MET 263 Cb -0.08 -3.48 0.03 0.00 2.84 0.00 0.00 34.83 34.14 1h49 s MET 263 CO -0.07 0.12 1.22 0.41 -0.65 0.00 0.00 175.02 176.05 1h49 n GLY 264 N 3.69 0.22 3.05 2.11 0.00 -0.71 -4.82 105.19 108.74 1h49 n GLY 264 Ca -0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1h49 n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h49 s ARG 265 N -3.67 1.39 -0.02 1.61 1.81 -1.26 -1.14 118.95 117.67 1h49 s ARG 265 Ca 0.78 -0.42 0.02 0.00 -1.72 0.00 0.00 55.73 54.39 1h49 s ARG 265 Cb -0.34 -1.22 0.00 0.00 -0.45 0.00 0.00 34.95 32.94 1h49 s ARG 265 CO 0.46 0.13 -0.07 0.08 -0.68 0.00 0.00 175.30 175.22 1h49 s VAL 266 N 0.26 0.63 0.31 3.52 1.01 -0.63 -4.97 120.40 120.52 1h49 s VAL 266 Ca -0.06 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1h49 s VAL 266 Cb -0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 36.38 35.60 1h49 s VAL 266 CO 0.02 0.20 1.53 -2.84 0.00 0.00 0.00 175.10 174.00 1h49 s PRO 267 N 0.09 4.15 0.03 2.72 0.02 -1.26 0.18 135.00 140.93 1h49 s PRO 267 Ca -0.01 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 1h49 s PRO 267 Cb -0.06 -3.03 -0.17 0.00 0.02 0.00 0.00 34.50 31.26 1h49 s PRO 267 CO -0.00 -0.55 1.33 -0.92 -0.33 0.00 0.00 177.00 176.53 1h49 h TYR 268 N 4.38 -0.77 -3.10 6.54 3.20 -1.31 -3.44 116.97 122.48 1h49 h TYR 268 Ca -0.48 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1h49 h TYR 268 Cb 1.22 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.75 1h49 h TYR 268 CO 0.57 -0.43 0.00 0.41 -1.64 0.00 0.00 178.16 177.07 1h49 n GLY 269 N -0.90 6.61 0.21 1.82 0.00 -1.26 -4.42 105.19 107.25 1h49 n GLY 269 Ca -0.12 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1h49 n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h49 n THR 270 N -0.02 0.00 -2.00 2.61 -2.24 -1.26 -4.84 114.28 106.53 1h49 n THR 270 Ca 0.00 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1h49 n THR 270 Cb 0.00 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1h49 n THR 270 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h49 s SER 271 N -2.75 6.51 0.57 3.42 0.15 -1.26 -4.89 113.70 115.45 1h49 s SER 271 Ca 0.15 2.79 0.28 0.00 0.70 0.00 0.00 55.95 59.86 1h49 s SER 271 Cb 0.17 -2.65 1.52 0.00 -1.71 0.00 0.00 66.02 63.35 1h49 s SER 271 CO 0.69 -0.73 2.01 2.19 1.20 0.00 0.00 173.24 178.60 1h49 h PHE 272 N 3.06 0.00 -0.78 3.44 -0.00 -2.00 -1.67 116.94 118.99 1h49 h PHE 272 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.47 1h49 h PHE 272 Cb 1.24 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.15 1h49 h PHE 272 CO 0.54 0.00 0.46 -0.07 -0.00 0.00 0.00 178.31 179.24 1h49 h LEU 273 N 0.00 0.94 -0.66 2.10 3.38 -1.98 -1.54 115.31 117.55 1h49 h LEU 273 Ca 0.17 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1h49 h LEU 273 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1h49 h LEU 273 CO -0.00 0.73 -0.28 0.44 0.09 0.00 0.00 178.44 179.42 1h49 h ASP 274 N 1.08 0.00 -0.28 -0.43 3.32 -1.62 -1.01 116.42 117.48 1h49 h ASP 274 Ca 0.28 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 1h49 h ASP 274 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1h49 h ASP 274 CO -0.05 0.28 -0.41 0.50 -1.72 0.00 0.00 179.24 177.84 1h49 h LYS 275 N 0.00 0.83 -0.62 3.56 1.63 -1.34 -0.92 116.57 119.71 1h49 h LYS 275 Ca -0.00 -0.45 -0.08 0.00 -0.85 0.00 0.00 60.65 59.27 1h49 h LYS 275 Cb 0.96 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1h49 h LYS 275 CO 0.04 1.08 0.08 1.96 -3.45 0.00 0.00 179.45 179.16 1h49 h GLN 276 N 0.68 1.02 -0.45 1.90 4.20 -1.05 -2.09 115.11 119.32 1h49 h GLN 276 Ca 0.05 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1h49 h GLN 276 Cb 0.98 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1h49 h GLN 276 CO 0.09 0.95 0.01 0.00 -0.67 0.00 0.00 178.83 179.21 1h49 h ALA 277 N 1.13 0.61 -0.43 3.87 0.00 -1.13 -1.89 119.26 121.42 1h49 h ALA 277 Ca 0.19 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1h49 h ALA 277 Cb 0.44 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1h49 h ALA 277 CO 0.01 0.39 0.09 1.49 0.00 0.00 0.00 179.25 181.24 1h49 h GLU 278 N 0.64 0.21 -0.49 0.00 4.81 -0.98 -1.18 114.58 117.58 1h49 h GLU 278 Ca 0.13 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1h49 h GLU 278 Cb 0.49 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1h49 h GLU 278 CO 0.02 0.14 0.01 0.93 -0.73 0.00 0.00 179.01 179.39 1h49 h GLU 279 N 0.22 0.86 -0.58 1.92 4.39 -1.11 -0.91 114.58 119.37 1h49 h GLU 279 Ca 0.21 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1h49 h GLU 279 Cb 0.26 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1h49 h GLU 279 CO -0.27 0.89 0.37 0.00 -1.16 0.00 0.00 179.01 178.84 1h49 h ARG 280 N 0.73 0.77 -0.13 2.33 3.08 -1.15 -1.82 114.38 118.19 1h49 h ARG 280 Ca 0.14 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 1h49 h ARG 280 Cb 0.49 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1h49 h ARG 280 CO 0.02 0.52 -0.75 0.77 -1.07 0.00 0.00 179.97 179.47 1h49 h SER 281 N 0.79 0.89 -0.95 7.04 0.02 -0.43 -1.63 113.55 119.28 1h49 h SER 281 Ca 0.21 -0.64 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1h49 h SER 281 Cb -0.07 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.16 1h49 h SER 281 CO -0.04 1.39 0.63 -0.50 -1.14 0.00 0.00 176.83 177.16 1h49 h TRP 282 N 0.45 1.19 -0.33 3.45 4.06 -1.11 -2.30 115.95 121.36 1h49 h TRP 282 Ca -0.06 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1h49 h TRP 282 Cb 1.38 -0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 1h49 h TRP 282 CO 0.09 0.73 0.13 -0.44 -3.56 0.00 0.00 178.44 175.39 1h49 h ASP 283 N 1.27 0.46 1.49 -3.49 3.32 -1.14 0.11 116.42 118.42 1h49 h ASP 283 Ca 0.36 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1h49 h ASP 283 Cb -0.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1h49 h ASP 283 CO -0.09 0.51 -0.23 -0.29 -1.72 0.00 0.00 179.24 177.42 1h49 h ILE 284 N 0.38 0.43 0.00 0.35 2.10 -1.18 0.24 117.51 119.84 1h49 h ILE 284 Ca 0.11 -1.42 -0.15 0.00 1.08 0.00 0.00 64.86 64.49 1h49 h ILE 284 Cb 0.19 2.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 1h49 h ILE 284 CO -0.01 0.22 -1.21 -3.20 -1.08 0.00 0.00 178.15 172.88 1h49 n ASN 285 N -3.21 1.88 -0.10 2.19 4.05 -0.88 -4.37 115.26 114.82 1h49 n ASN 285 Ca 0.02 0.45 -0.23 0.00 0.45 0.00 0.00 54.58 55.28 1h49 n ASN 285 Cb 0.56 -0.85 -0.12 0.00 1.23 0.00 0.00 39.78 40.60 1h49 n ASN 285 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1h49 n LEU 286 N -4.46 1.93 -0.10 1.20 7.94 0.28 -4.42 117.00 119.36 1h49 n LEU 286 Ca -0.24 0.40 0.05 0.00 -1.11 0.00 0.00 56.01 55.11 1h49 n LEU 286 Cb 0.55 -0.96 0.39 0.00 0.53 0.00 0.00 43.42 43.92 1h49 n LEU 286 CO 0.14 0.35 1.20 1.23 -1.11 0.00 0.00 177.39 179.19 1h49 h GLY 287 N -0.84 0.77 -0.16 -3.96 0.00 -0.36 -1.92 103.07 96.61 1h49 h GLY 287 Ca -0.39 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 46.78 1h49 h GLY 287 CO -0.21 0.23 -0.21 -0.25 0.00 0.00 0.00 176.54 176.09 1h49 h TRP 288 N 0.67 -0.52 0.00 5.60 7.01 -0.76 -0.70 115.95 127.24 1h49 h TRP 288 Ca 0.24 0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.21 1h49 h TRP 288 Cb 0.12 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1h49 h TRP 288 CO -0.00 -0.30 -1.88 1.19 -2.79 0.00 0.00 178.44 174.67 1h49 n PHE 289 N -5.41 0.23 -0.03 2.65 3.72 -1.19 -4.41 117.46 113.02 1h49 n PHE 289 Ca 0.04 0.07 -0.15 0.00 -0.05 0.00 0.00 57.45 57.36 1h49 n PHE 289 Cb 0.31 -0.71 -0.12 0.00 -0.94 0.00 0.00 39.48 38.02 1h49 n PHE 289 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1h49 h LEU 290 N 0.00 0.19 -0.91 4.37 5.85 -1.10 -3.27 115.31 120.43 1h49 h LEU 290 Ca -0.11 -0.86 -0.04 0.00 0.84 0.00 0.00 57.88 57.71 1h49 h LEU 290 Cb 1.27 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1h49 h LEU 290 CO 0.01 1.02 0.27 -0.08 -0.34 0.00 0.00 178.44 179.33 1h49 h GLU 291 N -0.62 1.07 -0.76 1.25 4.81 -1.35 -1.18 114.58 117.80 1h49 h GLU 291 Ca -0.04 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1h49 h GLU 291 Cb 1.08 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 1h49 h GLU 291 CO 0.05 0.88 0.44 -1.35 -0.73 0.00 0.00 179.01 178.30 1h49 h PRO 292 N 1.04 0.77 0.00 0.92 0.11 -1.52 0.13 132.00 133.45 1h49 h PRO 292 Ca 0.24 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1h49 h PRO 292 Cb 0.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1h49 h PRO 292 CO -0.02 0.51 -0.37 -0.39 -0.21 0.00 0.00 178.00 177.52 1h49 h VAL 293 N 0.79 0.72 0.02 3.15 -1.51 -1.46 0.43 116.25 118.40 1h49 h VAL 293 Ca 0.34 -1.69 -0.00 0.00 -1.23 0.00 0.00 66.70 64.12 1h49 h VAL 293 Cb 0.22 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1h49 h VAL 293 CO -0.19 0.36 -0.01 0.58 -1.23 0.00 0.00 177.57 177.08 1h49 h VAL 294 N 0.00 1.22 0.00 7.19 2.07 -0.99 0.65 116.25 126.40 1h49 h VAL 294 Ca -0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1h49 h VAL 294 Cb 1.08 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1h49 h VAL 294 CO 0.05 0.40 -0.72 -2.11 0.02 0.00 0.00 177.57 175.21 1h49 n ARG 295 N -4.69 2.12 0.00 1.57 1.85 0.43 -3.24 116.66 114.70 1h49 n ARG 295 Ca -0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1h49 n ARG 295 Cb 0.33 -0.87 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 1h49 n ARG 295 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1h49 n GLY 296 N 2.01 0.86 3.34 2.89 0.00 0.14 -4.69 105.19 109.74 1h49 n GLY 296 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1h49 n GLY 296 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h49 s ASP 297 N -1.90 0.02 0.80 1.61 3.68 -1.26 -4.46 116.67 115.16 1h49 s ASP 297 Ca 0.00 -0.79 -0.11 0.00 2.13 0.00 0.00 52.55 53.78 1h49 s ASP 297 Cb 0.00 0.44 0.07 0.00 -1.45 0.00 0.00 42.92 41.98 1h49 s ASP 297 CO 0.00 -0.88 1.09 -0.31 0.13 0.00 0.00 175.17 175.19 1h49 s TYR 298 N -3.94 2.57 0.42 -5.34 2.02 -1.26 -1.96 117.35 109.86 1h49 s TYR 298 Ca 0.14 1.45 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 1h49 s TYR 298 Cb 0.03 -3.06 -0.10 0.00 -0.40 0.00 0.00 41.96 38.42 1h49 s TYR 298 CO -0.02 -1.90 1.14 -2.30 -1.57 0.00 0.00 175.55 170.90 1h49 n PRO 299 N -3.58 1.62 -0.12 -1.71 -0.02 -1.26 -4.86 135.00 125.07 1h49 n PRO 299 Ca 0.08 0.58 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1h49 n PRO 299 Cb 0.54 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1h49 n PRO 299 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1h49 h PHE 300 N 1.80 -0.08 -0.82 6.00 3.57 -1.99 -2.25 116.94 123.17 1h49 h PHE 300 Ca -0.46 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1h49 h PHE 300 Cb 1.32 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 40.08 1h49 h PHE 300 CO 0.46 -0.11 0.47 0.66 -2.23 0.00 0.00 178.31 177.56 1h49 h SER 301 N 0.07 0.68 -0.26 0.41 4.64 -1.99 0.16 113.55 117.26 1h49 h SER 301 Ca 0.20 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1h49 h SER 301 Cb 0.29 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1h49 h SER 301 CO -0.36 0.39 0.09 0.24 -0.87 0.00 0.00 176.83 176.32 1h49 h MET 302 N 0.79 0.39 -0.68 4.77 2.86 -1.79 -2.23 114.93 119.03 1h49 h MET 302 Ca 0.39 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1h49 h MET 302 Cb 0.35 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1h49 h MET 302 CO -0.24 0.44 0.45 0.00 1.06 0.00 0.00 176.91 178.62 1h49 h ARG 303 N 0.25 0.88 0.00 1.72 3.08 -0.88 0.21 114.38 119.64 1h49 h ARG 303 Ca 0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1h49 h ARG 303 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1h49 h ARG 303 CO -0.01 0.58 -0.30 0.66 -1.07 0.00 0.00 179.97 179.84 1h49 h SER 304 N 0.91 0.00 0.00 7.04 4.64 -0.71 -2.10 113.55 123.33 1h49 h SER 304 Ca 0.25 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.31 1h49 h SER 304 Cb -0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1h49 h SER 304 CO -0.06 0.30 -1.98 0.18 -0.87 0.00 0.00 176.83 174.40 1h49 n LEU 305 N -3.33 2.67 0.06 5.97 4.77 -0.83 -4.48 117.00 121.82 1h49 n LEU 305 Ca 0.01 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1h49 n LEU 305 Cb 0.53 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1h49 n LEU 305 CO 0.36 0.71 0.02 0.00 -1.33 0.00 0.00 177.39 177.15 1h49 h ALA 306 N -0.12 0.34 -0.80 -1.18 0.00 -0.78 -3.49 119.26 113.23 1h49 h ALA 306 Ca -0.40 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1h49 h ALA 306 Cb 1.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1h49 h ALA 306 CO -0.10 1.22 0.00 0.54 0.00 0.00 0.00 179.25 180.91 1h49 n ARG 307 N -3.36 0.00 -0.15 0.00 5.12 -0.79 -2.26 116.66 115.22 1h49 n ARG 307 Ca -0.04 0.00 0.26 0.00 -1.93 0.00 0.00 57.85 56.15 1h49 n ARG 307 Cb 0.97 0.00 0.70 0.00 -1.16 0.00 0.00 32.46 32.98 1h49 n ARG 307 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1h49 h GLU 308 N 0.00 0.03 0.00 5.56 9.09 -1.94 -1.73 114.58 125.58 1h49 h GLU 308 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1h49 h GLU 308 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1h49 h GLU 308 CO 0.00 0.02 0.00 0.54 0.05 0.00 0.00 179.01 179.62 1h49 n ARG 309 N -4.30 0.14 -3.71 1.06 1.74 -0.96 -4.26 116.66 106.37 1h49 n ARG 309 Ca 0.17 0.35 -0.38 0.00 -0.77 0.00 0.00 57.85 57.22 1h49 n ARG 309 Cb 0.88 -1.76 -0.11 0.00 -1.02 0.00 0.00 32.46 30.45 1h49 n ARG 309 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h49 s LEU 310 N -4.04 4.76 0.69 0.55 2.96 -0.65 -4.64 118.68 118.31 1h49 s LEU 310 Ca 0.06 -1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 52.36 1h49 s LEU 310 Cb 0.10 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1h49 s LEU 310 CO 0.37 -0.44 1.09 -2.65 -1.32 0.00 0.00 176.35 173.41 1h49 n PRO 311 N 4.80 0.73 -3.10 0.98 -0.02 -1.26 -4.87 135.00 132.27 1h49 n PRO 311 Ca -0.10 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 1h49 n PRO 311 Cb 0.43 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1h49 n PRO 311 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1h49 s PHE 312 N -1.66 3.79 0.21 6.00 2.99 -1.26 -5.04 117.98 123.00 1h49 s PHE 312 Ca 0.77 1.46 -0.30 0.00 0.00 0.00 0.00 56.93 58.86 1h49 s PHE 312 Cb -0.36 -2.65 -0.08 0.00 0.00 0.00 0.00 43.02 39.93 1h49 s PHE 312 CO 0.46 0.47 0.94 -0.06 -0.00 0.00 0.00 175.22 177.03 1h49 s PHE 313 N -1.28 3.94 0.79 0.36 0.40 -1.26 -5.07 117.98 115.85 1h49 s PHE 313 Ca 0.37 1.88 -0.11 0.00 -0.60 0.00 0.00 56.93 58.47 1h49 s PHE 313 Cb -0.20 -2.99 0.07 0.00 0.51 0.00 0.00 43.02 40.40 1h49 s PHE 313 CO 0.23 0.40 1.10 0.15 0.70 0.00 0.00 175.22 177.80 1h49 s LYS 314 N -0.88 2.09 0.19 0.44 1.02 -1.26 -4.83 119.74 116.51 1h49 s LYS 314 Ca 0.42 1.26 -0.10 0.00 0.02 0.00 0.00 55.97 57.57 1h49 s LYS 314 Cb -0.25 -1.87 0.11 0.00 -0.52 0.00 0.00 37.83 35.29 1h49 s LYS 314 CO 0.31 -1.78 1.76 -0.44 -0.92 0.00 0.00 175.35 174.28 1h49 h ASP 315 N -1.15 0.92 -0.16 2.83 3.32 -1.99 -1.32 116.42 118.86 1h49 h ASP 315 Ca -0.44 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.45 1h49 h ASP 315 Cb 1.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1h49 h ASP 315 CO 0.50 0.82 0.10 1.05 -1.72 0.00 0.00 179.24 179.99 1h49 h GLU 316 N 0.95 0.23 0.03 3.56 4.11 -2.00 -2.45 114.58 119.01 1h49 h GLU 316 Ca 0.23 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.42 1h49 h GLU 316 Cb 0.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1h49 h GLU 316 CO -0.02 0.17 -0.97 1.96 0.07 0.00 0.00 179.01 180.22 1h49 h GLN 317 N 0.24 0.27 -0.66 1.06 4.20 -1.72 -2.63 115.11 115.87 1h49 h GLN 317 Ca 0.06 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1h49 h GLN 317 Cb -0.00 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1h49 h GLN 317 CO -0.01 1.05 0.40 0.87 -0.67 0.00 0.00 178.83 180.47 1h49 h LYS 318 N 0.14 0.90 -0.19 1.46 1.57 -0.87 -1.80 116.57 117.77 1h49 h LYS 318 Ca -0.07 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 1h49 h LYS 318 Cb 1.63 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1h49 h LYS 318 CO 0.16 0.64 -0.50 0.93 -0.57 0.00 0.00 179.45 180.10 1h49 h GLU 319 N 0.90 0.53 -0.03 3.15 4.39 -1.44 -2.22 114.58 119.86 1h49 h GLU 319 Ca 0.24 -0.31 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 1h49 h GLU 319 Cb -0.02 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1h49 h GLU 319 CO -0.04 0.91 -0.64 0.87 -1.16 0.00 0.00 179.01 178.95 1h49 h LYS 320 N 0.42 0.11 -0.04 2.33 1.57 -1.44 -3.33 116.57 116.19 1h49 h LYS 320 Ca 0.02 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1h49 h LYS 320 Cb 1.03 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.36 1h49 h LYS 320 CO 0.09 0.71 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.14 1h49 h LEU 321 N 0.08 0.48 -9.41 2.94 3.38 -1.09 -3.41 115.31 108.28 1h49 h LEU 321 Ca -0.01 -0.71 -0.54 0.00 0.09 0.00 0.00 57.88 56.71 1h49 h LEU 321 Cb 1.14 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1h49 h LEU 321 CO 0.09 1.13 0.97 0.00 0.09 0.00 0.00 178.44 180.72 1h49 s ALA 322 N -3.38 3.65 -0.13 1.53 0.00 -0.86 -1.90 121.76 120.67 1h49 s ALA 322 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1h49 s ALA 322 Cb 0.04 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1h49 s ALA 322 CO 0.80 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1h49 n GLY 323 N 3.93 0.50 1.98 0.00 0.00 0.23 -4.94 105.19 106.89 1h49 n GLY 323 Ca 0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1h49 n GLY 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h49 n SER 324 N 1.10 5.41 -3.52 1.61 3.41 -0.80 -4.79 113.62 116.05 1h49 n SER 324 Ca -0.01 -2.56 -0.13 0.00 -0.26 0.00 0.00 58.87 55.90 1h49 n SER 324 Cb 0.06 -1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 62.60 1h49 n SER 324 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1h49 s TYR 325 N 0.52 -0.50 -0.27 7.33 -0.85 -1.26 -4.74 117.35 117.57 1h49 s TYR 325 Ca 0.57 0.72 0.09 0.00 -0.52 0.00 0.00 57.07 57.93 1h49 s TYR 325 Cb 0.28 0.46 -0.12 0.00 0.38 0.00 0.00 41.96 42.97 1h49 s TYR 325 CO -0.02 -0.55 0.32 0.09 -1.52 0.00 0.00 175.55 173.87 1h49 n ASN 326 N 0.50 1.36 -3.47 -0.18 4.13 -0.00 -4.98 115.26 112.60 1h49 n ASN 326 Ca -0.14 -0.44 -0.10 0.00 1.68 0.00 0.00 54.58 55.58 1h49 n ASN 326 Cb 0.59 1.17 -0.02 0.00 -1.54 0.00 0.00 39.78 39.98 1h49 n ASN 326 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h49 s MET 327 N -2.19 0.99 0.02 3.52 0.23 -1.24 -4.55 119.30 116.08 1h49 s MET 327 Ca 0.01 -0.34 0.02 0.00 -1.03 0.00 0.00 55.69 54.34 1h49 s MET 327 Cb 0.07 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.81 1h49 s MET 327 CO 0.39 -0.43 -0.06 -0.51 -2.03 0.00 0.00 175.02 172.38 1h49 s LEU 328 N -2.52 2.13 0.04 0.18 1.02 -0.65 -3.92 118.68 114.96 1h49 s LEU 328 Ca 0.03 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1h49 s LEU 328 Cb -0.01 -0.19 -0.04 0.00 0.02 0.00 0.00 46.19 45.97 1h49 s LEU 328 CO -0.10 -0.07 0.10 -0.83 0.02 0.00 0.00 176.35 175.47 1h49 s GLY 329 N -0.80 2.05 -0.13 -3.19 0.00 0.09 -0.92 107.32 104.42 1h49 s GLY 329 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1h49 s GLY 329 CO 0.00 -0.86 -0.13 1.08 0.00 0.00 0.00 173.10 173.19 1h49 s LEU 330 N -2.15 1.58 -0.40 0.66 1.02 -0.18 -1.04 118.68 118.17 1h49 s LEU 330 Ca 0.28 -0.42 -0.15 0.00 0.02 0.00 0.00 54.13 53.86 1h49 s LEU 330 Cb -0.12 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 45.04 1h49 s LEU 330 CO 0.20 -0.05 0.31 0.20 0.02 0.00 0.00 176.35 177.03 1h49 s ASN 331 N 1.37 6.11 -0.07 2.29 0.01 0.53 -1.29 114.94 123.89 1h49 s ASN 331 Ca 0.01 -0.82 0.01 0.00 -0.71 0.00 0.00 52.86 51.36 1h49 s ASN 331 Cb -0.13 -2.16 0.02 0.00 0.41 0.00 0.00 41.25 39.38 1h49 s ASN 331 CO -0.07 -0.44 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.52 1h49 s TYR 332 N 1.73 1.30 0.00 2.20 5.04 -0.76 -1.80 117.35 125.06 1h49 s TYR 332 Ca 0.06 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1h49 s TYR 332 Cb -0.19 -1.01 0.00 0.00 0.35 0.00 0.00 41.96 41.11 1h49 s TYR 332 CO 0.10 -0.31 0.00 0.66 -1.34 0.00 0.00 175.55 174.67 1h49 n TYR 333 N 4.11 0.00 -3.82 4.97 4.02 -1.26 -4.22 117.16 120.97 1h49 n TYR 333 Ca -0.21 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.62 1h49 n TYR 333 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.86 1h49 n TYR 333 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1h49 n THR 334 N -2.02 0.00 -4.24 -0.72 5.66 -1.26 -4.68 114.28 107.01 1h49 n THR 334 Ca 0.00 -0.79 -0.14 0.00 -3.05 0.00 0.00 64.05 60.07 1h49 n THR 334 Cb 0.37 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 69.93 1h49 n THR 334 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1h49 s SER 335 N -3.17 0.54 0.05 1.09 0.01 -1.26 -1.73 113.70 109.24 1h49 s SER 335 Ca 0.18 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1h49 s SER 335 Cb -0.04 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1h49 s SER 335 CO 0.09 -0.80 -0.04 -0.13 0.41 0.00 0.00 173.24 172.77 1h49 s ARG 336 N -4.11 0.57 -0.06 12.44 1.81 -0.29 -4.88 118.95 124.43 1h49 s ARG 336 Ca 0.39 -1.04 -0.26 0.00 -1.72 0.00 0.00 55.73 53.10 1h49 s ARG 336 Cb 0.07 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.59 1h49 s ARG 336 CO 0.13 -0.06 0.82 -0.06 -0.68 0.00 0.00 175.30 175.44 1h49 s PHE 337 N -2.96 3.59 -0.19 -0.53 0.40 -0.40 -1.61 117.98 116.28 1h49 s PHE 337 Ca 0.00 1.41 -0.12 0.00 -0.60 0.00 0.00 56.93 57.62 1h49 s PHE 337 Cb 0.01 -2.94 -0.05 0.00 0.51 0.00 0.00 43.02 40.55 1h49 s PHE 337 CO -0.06 0.01 0.23 -1.12 0.70 0.00 0.00 175.22 174.99 1h49 s SER 338 N 0.92 6.32 -0.13 1.36 0.01 0.13 -0.87 113.70 121.43 1h49 s SER 338 Ca 0.43 0.36 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1h49 s SER 338 Cb -0.19 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1h49 s SER 338 CO 0.21 0.10 -0.20 -0.75 0.41 0.00 0.00 173.24 173.01 1h49 s LYS 339 N 0.62 2.80 0.22 12.44 2.20 -0.28 -1.00 119.74 136.74 1h49 s LYS 339 Ca 0.13 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1h49 s LYS 339 Cb -0.13 -2.29 -0.15 0.00 -1.51 0.00 0.00 37.83 33.75 1h49 s LYS 339 CO 0.02 -0.04 1.05 -1.71 -0.36 0.00 0.00 175.35 174.32 1h49 n ASN 340 N 4.13 1.14 -4.07 1.43 5.15 -1.26 -1.36 115.26 120.42 1h49 n ASN 340 Ca -0.20 1.16 -0.29 0.00 -0.60 0.00 0.00 54.58 54.65 1h49 n ASN 340 Cb 0.51 -1.23 -0.17 0.00 -0.53 0.00 0.00 39.78 38.37 1h49 n ASN 340 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1h49 s ILE 341 N -0.61 1.55 0.47 -1.44 1.01 -0.43 -4.77 121.20 116.98 1h49 s ILE 341 Ca 0.66 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1h49 s ILE 341 Cb -0.79 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.18 1h49 s ILE 341 CO 0.56 0.45 1.02 -1.81 0.00 0.00 0.00 174.94 175.16 1h49 s ASP 342 N 0.91 6.46 0.16 3.58 1.01 -1.26 -4.71 116.67 122.83 1h49 s ASP 342 Ca -0.08 1.88 -0.31 0.00 0.71 0.00 0.00 52.55 54.75 1h49 s ASP 342 Cb -0.15 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 1h49 s ASP 342 CO -0.00 -0.70 1.43 -0.63 0.21 0.00 0.00 175.17 175.48 1h49 s ILE 343 N -2.02 3.00 0.19 0.77 1.01 -1.26 -4.88 121.20 118.00 1h49 s ILE 343 Ca 0.66 0.75 -0.23 0.00 0.00 0.00 0.00 60.65 61.83 1h49 s ILE 343 Cb -0.15 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.90 1h49 s ILE 343 CO 0.19 0.08 0.70 -0.94 0.00 0.00 0.00 174.94 174.97 1h49 s SER 344 N 0.87 -0.40 0.15 3.58 1.04 -1.26 -5.02 113.70 112.67 1h49 s SER 344 Ca 0.64 -0.26 0.21 0.00 0.48 0.00 0.00 55.95 57.02 1h49 s SER 344 Cb -0.39 0.62 0.87 0.00 0.10 0.00 0.00 66.02 67.21 1h49 s SER 344 CO 0.34 -1.07 1.66 -0.81 0.98 0.00 0.00 173.24 174.33 1h49 n PRO 345 N -0.40 0.13 0.00 4.02 -0.04 -1.26 -2.64 135.00 134.80 1h49 n PRO 345 Ca -0.10 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 1h49 n PRO 345 Cb 0.62 -1.72 0.64 0.00 -0.04 0.00 0.00 33.50 33.00 1h49 n PRO 345 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h49 n ASN 346 N -1.96 0.46 -4.02 3.54 3.02 -1.26 -4.83 115.26 110.22 1h49 n ASN 346 Ca 0.03 -0.63 -0.24 0.00 -0.03 0.00 0.00 54.58 53.71 1h49 n ASN 346 Cb 0.24 -0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 39.17 1h49 n ASN 346 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1h49 s TYR 347 N -2.42 1.36 -0.06 3.10 5.04 -1.08 -5.12 117.35 118.18 1h49 s TYR 347 Ca 0.31 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1h49 s TYR 347 Cb 0.20 -1.00 0.03 0.00 0.35 0.00 0.00 41.96 41.54 1h49 s TYR 347 CO 0.46 -0.24 -0.00 0.45 -1.34 0.00 0.00 175.55 174.88 1h49 s SER 348 N 0.57 1.41 0.30 4.32 0.15 -1.26 -4.60 113.70 114.58 1h49 s SER 348 Ca -0.12 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.16 1h49 s SER 348 Cb -0.14 -0.41 -0.13 0.00 -1.71 0.00 0.00 66.02 63.63 1h49 s SER 348 CO 0.03 -0.18 1.33 -2.65 1.20 0.00 0.00 173.24 172.98 1h49 n PRO 349 N 4.97 2.08 -0.07 5.44 -0.02 -1.26 -4.94 135.00 141.20 1h49 n PRO 349 Ca -0.10 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1h49 n PRO 349 Cb 0.50 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 1h49 n PRO 349 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h49 n VAL 350 N 0.98 0.78 -3.83 -1.45 0.31 -1.26 -5.03 118.33 108.83 1h49 n VAL 350 Ca 0.08 -0.22 -0.26 0.00 -0.01 0.00 0.00 64.34 63.93 1h49 n VAL 350 Cb 0.34 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 1h49 n VAL 350 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1h49 s LEU 351 N -6.58 4.28 0.29 7.52 1.43 -1.26 -4.13 118.68 120.23 1h49 s LEU 351 Ca -0.20 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1h49 s LEU 351 Cb 0.07 -3.02 0.59 0.00 0.03 0.00 0.00 46.19 43.87 1h49 s LEU 351 CO 0.26 -0.01 1.83 -0.55 0.23 0.00 0.00 176.35 178.11 1h49 h ASN 352 N 1.91 0.90 0.57 2.29 -1.07 -1.56 -0.94 115.58 117.67 1h49 h ASN 352 Ca -0.49 0.05 0.00 0.00 0.07 0.00 0.00 56.30 55.93 1h49 h ASN 352 Cb 1.20 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1h49 h ASN 352 CO 0.67 0.46 0.00 0.71 0.07 0.00 0.00 177.43 179.34 1h49 h THR 353 N 0.95 0.00 0.00 6.14 1.35 -1.95 -1.50 112.91 117.89 1h49 h THR 353 Ca 0.50 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1h49 h THR 353 Cb 0.54 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1h49 h THR 353 CO -0.27 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.44 1h49 h ASP 354 N 0.00 0.00 0.19 5.36 3.32 -1.54 -2.90 116.42 120.85 1h49 h ASP 354 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h49 h ASP 354 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1h49 h ASP 354 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1h49 n ASP 355 N -2.54 0.00 0.08 6.45 8.00 -0.57 -1.66 116.55 126.31 1h49 n ASP 355 Ca 0.02 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.99 1h49 n ASP 355 Cb 0.26 -0.39 0.44 0.00 -0.02 0.00 0.00 41.12 41.41 1h49 n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h49 n ALA 356 N -1.39 2.34 -3.71 2.24 0.00 -1.09 -4.81 120.51 114.09 1h49 n ALA 356 Ca 0.03 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1h49 n ALA 356 Cb 0.07 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.11 1h49 n ALA 356 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h49 n TYR 357 N -2.06 -2.04 -3.70 0.00 4.02 -0.66 -4.71 117.16 108.00 1h49 n TYR 357 Ca 0.06 0.87 -0.11 0.00 -0.01 0.00 0.00 57.90 58.70 1h49 n TYR 357 Cb 0.41 -4.41 -0.12 0.00 -0.02 0.00 0.00 39.34 35.21 1h49 n TYR 357 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1h49 s ALA 358 N -3.57 -0.86 0.23 -0.72 0.00 -1.26 -1.31 121.76 114.27 1h49 s ALA 358 Ca 0.14 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.23 1h49 s ALA 358 Cb -0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 1h49 s ALA 358 CO 0.81 -0.35 0.70 -1.54 0.00 0.00 0.00 175.76 175.38 1h49 s SER 359 N 1.63 6.97 -0.38 0.00 1.04 -0.46 -4.85 113.70 117.65 1h49 s SER 359 Ca -0.07 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 57.66 1h49 s SER 359 Cb -0.10 -2.39 0.08 0.00 0.10 0.00 0.00 66.02 63.71 1h49 s SER 359 CO -0.11 -0.00 0.17 -1.10 0.98 0.00 0.00 173.24 173.17 1h49 s GLN 360 N -2.16 2.32 -0.07 4.02 -1.52 -1.26 -1.12 119.66 119.86 1h49 s GLN 360 Ca 0.44 -1.54 -0.04 0.00 -1.95 0.00 0.00 55.36 52.27 1h49 s GLN 360 Cb -0.15 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.06 1h49 s GLN 360 CO 0.20 -0.90 0.13 -1.21 -0.25 0.00 0.00 175.29 173.26 1h49 s GLU 361 N 1.27 3.35 0.02 2.91 0.41 -0.05 -4.89 118.70 121.72 1h49 s GLU 361 Ca 0.03 -0.26 -0.18 0.00 -0.41 0.00 0.00 54.97 54.15 1h49 s GLU 361 Cb -0.22 -3.08 -0.27 0.00 -1.78 0.00 0.00 34.13 28.78 1h49 s GLU 361 CO -0.01 0.72 1.08 0.28 -0.49 0.00 0.00 175.26 176.84 1h49 h VAL 362 N 3.55 1.38 -3.24 2.63 2.07 -1.93 -1.04 116.25 119.67 1h49 h VAL 362 Ca -0.52 -2.30 -0.60 0.00 0.82 0.00 0.00 66.70 64.11 1h49 h VAL 362 Cb 1.21 2.70 -0.10 0.00 -1.52 0.00 0.00 31.29 33.58 1h49 h VAL 362 CO 0.61 0.68 -0.34 0.20 0.02 0.00 0.00 177.57 178.74 1h49 s ASN 363 N -7.08 6.43 1.10 0.57 0.01 -1.26 -0.49 114.94 114.22 1h49 s ASN 363 Ca -0.12 0.50 -0.08 0.00 -0.71 0.00 0.00 52.86 52.46 1h49 s ASN 363 Cb 0.04 -2.17 0.12 0.00 0.41 0.00 0.00 41.25 39.65 1h49 s ASN 363 CO 0.87 0.13 0.43 0.61 -1.51 0.00 0.00 177.10 177.64 1h49 n GLY 364 N 3.24 -2.57 0.28 0.66 0.00 -0.61 -4.85 105.19 101.34 1h49 n GLY 364 Ca -0.13 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.56 1h49 n GLY 364 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h49 h PRO 365 N 0.00 0.00 -0.13 1.61 0.13 -1.89 -2.15 132.00 129.57 1h49 h PRO 365 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1h49 h PRO 365 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1h49 h PRO 365 CO 0.11 0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 177.55 1h49 n ASP 366 N -3.69 0.74 0.00 1.44 5.68 -1.26 -4.91 116.55 114.55 1h49 n ASP 366 Ca -0.02 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1h49 n ASP 366 Cb 0.19 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1h49 n ASP 366 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h49 n GLY 367 N 0.74 0.91 3.88 6.12 0.00 -0.81 -5.00 105.19 111.03 1h49 n GLY 367 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1h49 n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h49 s LYS 368 N -0.09 3.41 0.69 1.61 1.02 -1.26 -4.83 119.74 120.28 1h49 s LYS 368 Ca 0.00 -0.19 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1h49 s LYS 368 Cb 0.00 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1h49 s LYS 368 CO 0.00 0.75 1.22 -1.25 -0.92 0.00 0.00 175.35 175.15 1h49 s PRO 369 N -1.22 2.39 0.44 -1.68 0.04 -1.26 -1.58 135.00 132.13 1h49 s PRO 369 Ca 0.18 1.80 0.13 0.00 0.04 0.00 0.00 61.00 63.15 1h49 s PRO 369 Cb -0.12 -1.86 1.02 0.00 0.04 0.00 0.00 34.50 33.58 1h49 s PRO 369 CO 0.07 -1.65 2.00 0.97 0.04 0.00 0.00 177.00 178.43 1h49 h ILE 370 N 0.07 0.92 -2.89 0.56 2.10 -1.13 -3.45 117.51 113.70 1h49 h ILE 370 Ca -0.49 -0.14 0.03 0.00 1.08 0.00 0.00 64.86 65.35 1h49 h ILE 370 Cb 1.30 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.50 1h49 h ILE 370 CO 0.51 0.07 0.34 -0.83 -1.08 0.00 0.00 178.15 177.16 1h49 s GLY 371 N -3.79 0.25 0.32 8.18 0.00 -1.26 -4.91 107.32 106.11 1h49 s GLY 371 Ca -0.08 -0.60 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1h49 s GLY 371 CO 0.74 0.24 1.54 -4.14 0.00 0.00 0.00 173.10 171.48 1h49 s PRO 372 N -2.48 4.13 0.28 2.90 0.02 -1.25 -4.36 135.00 134.24 1h49 s PRO 372 Ca 0.16 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.43 1h49 s PRO 372 Cb -0.05 -3.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 1h49 s PRO 372 CO 0.09 -0.58 1.39 -1.25 -0.33 0.00 0.00 177.00 176.33 1h49 s PRO 373 N -1.02 4.30 0.00 5.54 0.04 -1.26 -0.74 135.00 141.86 1h49 s PRO 373 Ca 0.59 2.26 0.25 0.00 0.04 0.00 0.00 61.00 64.15 1h49 s PRO 373 Cb -0.47 -3.10 0.56 0.00 0.04 0.00 0.00 34.50 31.54 1h49 s PRO 373 CO 0.52 -0.33 1.45 -1.33 0.04 0.00 0.00 177.00 177.35 1h49 n MET 374 N 1.78 1.25 0.00 4.56 2.81 -0.30 -4.89 117.12 122.34 1h49 n MET 374 Ca 0.04 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 1h49 n MET 374 Cb 0.41 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1h49 n MET 374 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h49 n GLY 375 N 1.33 3.60 3.95 3.03 0.00 -1.26 -4.78 105.19 111.06 1h49 n GLY 375 Ca 0.13 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1h49 n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h49 s ASN 376 N 0.00 3.10 0.57 1.61 4.22 -1.25 -4.79 114.94 118.41 1h49 s ASN 376 Ca 0.00 0.03 0.37 0.00 -2.14 0.00 0.00 52.86 51.12 1h49 s ASN 376 Cb 0.00 -0.04 1.81 0.00 1.28 0.00 0.00 41.25 44.29 1h49 s ASN 376 CO 0.00 -2.72 2.12 -0.65 -2.04 0.00 0.00 177.10 173.81 1h49 h PRO 377 N -1.53 0.00 0.00 3.55 0.11 -1.99 -3.38 132.00 128.76 1h49 h PRO 377 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1h49 h PRO 377 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h49 h PRO 377 CO 0.33 0.00 -0.08 -2.67 -0.21 0.00 0.00 178.00 175.37 1h49 n TRP 378 N -2.98 0.00 -3.16 0.65 4.27 -1.26 -5.03 117.44 109.93 1h49 n TRP 378 Ca -0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.19 1h49 n TRP 378 Cb 0.18 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.06 1h49 n TRP 378 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1h49 s ILE 379 N -0.38 4.95 -0.10 -1.67 1.01 -1.26 -4.96 121.20 118.79 1h49 s ILE 379 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1h49 s ILE 379 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1h49 s ILE 379 CO 0.00 -0.22 -0.16 -0.31 0.00 0.00 0.00 174.94 174.25 1h49 s TYR 380 N 2.57 2.72 -0.13 3.97 1.51 -1.26 -1.15 117.35 125.58 1h49 s TYR 380 Ca 0.23 -0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1h49 s TYR 380 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1h49 s TYR 380 CO 0.13 -0.15 1.40 1.41 -1.11 0.00 0.00 175.55 177.24 1h49 s MET 381 N 0.05 4.20 -0.47 -0.62 1.75 0.08 -4.31 119.30 119.99 1h49 s MET 381 Ca -0.06 1.83 0.06 0.00 -1.25 0.00 0.00 55.69 56.27 1h49 s MET 381 Cb -0.15 -3.85 0.22 0.00 2.84 0.00 0.00 34.83 33.89 1h49 s MET 381 CO 0.05 -0.77 0.68 0.98 -0.65 0.00 0.00 175.02 175.31 1h49 n TYR 382 N 6.84 -2.52 0.27 4.11 9.36 -1.26 -3.77 117.16 130.19 1h49 n TYR 382 Ca 0.15 -2.25 0.14 0.00 3.32 0.00 0.00 57.90 59.27 1h49 n TYR 382 Cb 0.44 0.96 0.85 0.00 -0.63 0.00 0.00 39.34 40.96 1h49 n TYR 382 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1h49 h PRO 383 N 4.54 0.00 -0.21 2.98 0.11 -1.92 -2.24 132.00 135.25 1h49 h PRO 383 Ca 0.02 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.16 1h49 h PRO 383 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1h49 h PRO 383 CO 0.27 0.00 0.15 0.93 -0.21 0.00 0.00 178.00 179.14 1h49 h GLU 384 N 0.00 0.14 -0.14 1.05 5.08 -1.96 -1.54 114.58 117.21 1h49 h GLU 384 Ca 0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1h49 h GLU 384 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h49 h GLU 384 CO -0.00 0.09 -0.34 0.78 -1.00 0.00 0.00 179.01 178.54 1h49 h GLY 385 N 0.15 0.31 1.02 -3.84 0.00 -1.80 -0.76 103.07 98.14 1h49 h GLY 385 Ca 0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1h49 h GLY 385 CO -0.01 0.24 -0.07 -2.00 0.00 0.00 0.00 176.54 174.70 1h49 h LEU 386 N 0.25 0.87 -0.31 3.11 6.46 -1.41 -1.98 115.31 122.30 1h49 h LEU 386 Ca 0.03 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1h49 h LEU 386 Cb 0.72 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1h49 h LEU 386 CO 0.06 1.00 0.13 0.50 -0.62 0.00 0.00 178.44 179.51 1h49 h LYS 387 N 0.71 0.28 -0.89 1.25 3.64 -1.05 -1.26 116.57 119.25 1h49 h LYS 387 Ca 0.12 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1h49 h LYS 387 Cb 0.60 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1h49 h LYS 387 CO 0.04 0.18 0.53 -0.44 -2.27 0.00 0.00 179.45 177.49 1h49 h ASP 388 N 0.29 0.76 -0.31 4.20 3.32 -1.05 -0.76 116.42 122.88 1h49 h ASP 388 Ca 0.13 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1h49 h ASP 388 Cb 0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1h49 h ASP 388 CO -0.11 0.42 -0.17 0.25 -1.72 0.00 0.00 179.24 177.91 1h49 h LEU 389 N 0.87 0.68 -1.22 1.55 5.85 -0.92 -1.26 115.31 120.86 1h49 h LEU 389 Ca 0.43 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1h49 h LEU 389 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1h49 h LEU 389 CO -0.25 0.95 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.41 1h49 h LEU 390 N 0.41 0.12 -0.83 2.25 3.38 -0.69 -1.45 115.31 118.51 1h49 h LEU 390 Ca 0.07 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1h49 h LEU 390 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1h49 h LEU 390 CO 0.05 0.44 -0.47 0.24 0.09 0.00 0.00 178.44 178.78 1h49 h MET 391 N 0.11 0.25 -0.41 1.13 2.86 -0.81 -1.77 114.93 116.29 1h49 h MET 391 Ca 0.01 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1h49 h MET 391 Cb 0.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1h49 h MET 391 CO 0.04 0.68 -0.06 0.82 1.06 0.00 0.00 176.91 179.45 1h49 h ILE 392 N 0.21 1.27 -0.34 -1.22 1.08 -0.64 -0.84 117.51 117.02 1h49 h ILE 392 Ca 0.01 -1.13 -0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1h49 h ILE 392 Cb 0.92 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1h49 h ILE 392 CO 0.07 0.38 -0.09 0.24 -0.69 0.00 0.00 178.15 178.06 1h49 h MET 393 N 0.59 0.57 0.08 2.37 2.86 -1.16 -1.07 114.93 119.17 1h49 h MET 393 Ca 0.11 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1h49 h MET 393 Cb 0.57 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1h49 h MET 393 CO 0.03 0.66 -0.04 -0.22 1.06 0.00 0.00 176.91 178.41 1h49 h LYS 394 N 0.53 -0.11 0.00 1.72 3.64 -1.21 -0.30 116.57 120.85 1h49 h LYS 394 Ca 0.10 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1h49 h LYS 394 Cb 0.48 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1h49 h LYS 394 CO 0.03 0.41 -1.43 -0.91 -2.27 0.00 0.00 179.45 175.27 1h49 h ASN 395 N -0.70 0.00 0.00 4.20 2.35 -1.11 -3.06 115.58 117.25 1h49 h ASN 395 Ca -0.01 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.42 1h49 h ASN 395 Cb 0.56 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 1h49 h ASN 395 CO 0.02 0.68 -2.16 1.17 -1.65 0.00 0.00 177.43 175.49 1h49 n LYS 396 N -2.95 0.48 -0.78 0.81 4.81 -0.42 -4.73 118.16 115.38 1h49 n LYS 396 Ca -0.11 0.15 -0.04 0.00 -0.87 0.00 0.00 58.31 57.44 1h49 n LYS 396 Cb 0.89 -1.35 0.21 0.00 0.02 0.00 0.00 35.03 34.80 1h49 n LYS 396 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1h49 n TYR 397 N -3.41 1.32 -0.85 5.64 4.01 -1.14 -4.95 117.16 117.78 1h49 n TYR 397 Ca -0.38 -1.46 0.00 0.00 -0.16 0.00 0.00 57.90 55.90 1h49 n TYR 397 Cb 0.85 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1h49 n TYR 397 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h49 n GLY 398 N -0.97 0.56 3.90 2.72 0.00 -1.19 -4.38 105.19 105.84 1h49 n GLY 398 Ca 0.34 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1h49 n GLY 398 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h49 n ASN 399 N 0.32 -2.21 -4.78 1.61 5.15 -0.13 -4.98 115.26 110.23 1h49 n ASN 399 Ca 0.00 -1.06 -0.30 0.00 -0.60 0.00 0.00 54.58 52.62 1h49 n ASN 399 Cb 0.00 -2.91 0.10 0.00 -0.53 0.00 0.00 39.78 36.44 1h49 n ASN 399 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1h49 s PRO 400 N -6.52 1.90 0.19 1.20 0.04 -1.26 -4.66 135.00 125.89 1h49 s PRO 400 Ca 0.20 0.69 -0.32 0.00 0.04 0.00 0.00 61.00 61.61 1h49 s PRO 400 Cb -0.08 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1h49 s PRO 400 CO 0.90 -1.76 1.74 -2.14 0.04 0.00 0.00 177.00 175.78 1h49 s PRO 401 N -5.10 4.13 -0.03 0.56 0.01 -1.26 -4.56 135.00 128.75 1h49 s PRO 401 Ca 0.61 2.60 0.07 0.00 0.01 0.00 0.00 61.00 64.30 1h49 s PRO 401 Cb -0.15 -3.17 -0.02 0.00 0.01 0.00 0.00 34.50 31.17 1h49 s PRO 401 CO 0.55 -0.77 -0.23 0.42 0.01 0.00 0.00 177.00 176.97 1h49 s ILE 402 N 1.48 1.87 -0.09 2.83 -1.09 -0.94 -1.63 121.20 123.62 1h49 s ILE 402 Ca 0.76 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 1h49 s ILE 402 Cb -0.49 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.82 1h49 s ILE 402 CO 0.33 0.53 -0.22 -0.31 -1.23 0.00 0.00 174.94 174.04 1h49 s TYR 403 N -0.44 2.58 -0.71 3.97 1.51 -0.10 0.59 117.35 124.76 1h49 s TYR 403 Ca 0.06 -0.85 -0.27 0.00 -1.01 0.00 0.00 57.07 55.00 1h49 s TYR 403 Cb -0.10 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1h49 s TYR 403 CO 0.00 -0.30 1.54 0.42 -1.11 0.00 0.00 175.55 176.10 1h49 s ILE 404 N 0.17 3.58 -0.98 2.71 -1.09 -0.53 -1.02 121.20 124.04 1h49 s ILE 404 Ca -0.12 0.24 0.27 0.00 -2.23 0.00 0.00 60.65 58.81 1h49 s ILE 404 Cb -0.16 -4.52 0.15 0.00 -1.58 0.00 0.00 42.46 36.35 1h49 s ILE 404 CO 0.07 -1.47 1.71 0.35 -1.23 0.00 0.00 174.94 174.37 1h49 n THR 405 N 6.78 0.03 -3.71 2.92 -2.24 -0.41 -0.21 114.28 117.44 1h49 n THR 405 Ca 0.12 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1h49 n THR 405 Cb 0.50 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.43 1h49 n THR 405 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1h49 s GLU 406 N -3.01 0.57 -0.29 -0.78 2.02 -1.23 -4.68 118.70 111.30 1h49 s GLU 406 Ca 0.12 0.61 -0.18 0.00 0.02 0.00 0.00 54.97 55.54 1h49 s GLU 406 Cb 0.18 0.27 0.13 0.00 0.10 0.00 0.00 34.13 34.82 1h49 s GLU 406 CO 0.60 -0.08 0.97 1.21 0.02 0.00 0.00 175.26 177.99 1h49 s ASN 407 N 0.16 -0.52 0.00 -0.19 3.84 -1.13 -1.82 114.94 115.28 1h49 s ASN 407 Ca -0.01 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.94 1h49 s ASN 407 Cb -0.03 1.13 0.00 0.00 -0.55 0.00 0.00 41.25 41.79 1h49 s ASN 407 CO 0.01 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 1h49 n GLY 408 N 3.34 -2.00 3.24 1.21 0.00 -1.26 -0.42 105.19 109.30 1h49 n GLY 408 Ca -0.17 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1h49 n GLY 408 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h49 s ILE 409 N -2.09 0.92 -0.21 -0.61 -4.36 -1.26 -4.89 121.20 108.70 1h49 s ILE 409 Ca 0.00 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.35 1h49 s ILE 409 Cb 0.00 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1h49 s ILE 409 CO 0.00 -0.65 -0.06 -0.83 0.24 0.00 0.00 174.94 173.64 1h49 s GLY 410 N -3.16 1.59 -0.15 6.27 0.00 -1.26 -4.24 107.32 106.38 1h49 s GLY 410 Ca 0.19 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.50 1h49 s GLY 410 CO 0.01 0.37 0.88 0.99 0.00 0.00 0.00 173.10 175.35 1h49 s ASP 411 N 1.36 7.05 0.12 1.64 -0.00 -0.41 -3.78 116.67 122.65 1h49 s ASP 411 Ca 0.04 1.28 -0.30 0.00 -0.00 0.00 0.00 52.55 53.57 1h49 s ASP 411 Cb -0.14 -2.48 -0.07 0.00 -0.00 0.00 0.00 42.92 40.22 1h49 s ASP 411 CO -0.03 -0.41 1.23 -0.69 -0.00 0.00 0.00 175.17 175.27 1h49 s VAL 412 N 2.07 3.74 -0.27 -1.27 1.01 -1.26 -1.22 120.40 123.20 1h49 s VAL 412 Ca 0.41 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 1h49 s VAL 412 Cb -0.17 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.49 1h49 s VAL 412 CO 0.14 0.15 0.29 -0.62 0.00 0.00 0.00 175.10 175.06 1h49 s ASP 413 N 0.70 1.49 0.25 3.32 2.15 0.31 -4.57 116.67 120.32 1h49 s ASP 413 Ca 0.57 -0.59 0.06 0.00 0.43 0.00 0.00 52.55 53.03 1h49 s ASP 413 Cb -0.32 0.55 -0.05 0.00 -0.30 0.00 0.00 42.92 42.79 1h49 s ASP 413 CO 0.32 -0.37 -0.07 0.28 -0.17 0.00 0.00 175.17 175.16 1h49 s THR 414 N 2.37 1.58 0.18 1.71 -1.32 -1.00 -4.15 115.64 115.02 1h49 s THR 414 Ca 0.09 -2.13 -0.14 0.00 -1.21 0.00 0.00 61.69 58.30 1h49 s THR 414 Cb -0.14 -2.32 0.12 0.00 -1.51 0.00 0.00 72.50 68.65 1h49 s THR 414 CO -0.28 -0.39 1.68 0.11 -2.21 0.00 0.00 174.62 173.53 1h49 h LYS 415 N 2.38 0.09 -0.52 7.08 1.57 -1.99 0.45 116.57 125.63 1h49 h LYS 415 Ca -0.39 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1h49 h LYS 415 Cb 1.23 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1h49 h LYS 415 CO 0.65 0.06 0.32 0.93 -0.57 0.00 0.00 179.45 180.85 1h49 h GLU 416 N 0.09 0.71 -2.30 3.15 3.07 -2.05 -3.37 114.58 113.87 1h49 h GLU 416 Ca 0.24 -0.06 -0.58 0.00 -0.50 0.00 0.00 59.36 58.46 1h49 h GLU 416 Cb 0.36 -0.15 -0.40 0.00 -0.84 0.00 0.00 28.75 27.72 1h49 h GLU 416 CO -0.42 0.50 -0.91 2.41 -1.40 0.00 0.00 179.01 179.20 1h49 n THR 417 N -4.69 -0.05 -2.14 1.13 -1.04 -0.82 -5.11 114.28 101.56 1h49 n THR 417 Ca 0.03 -4.13 -0.37 0.00 -2.04 0.00 0.00 64.05 57.54 1h49 n THR 417 Cb 0.05 -1.91 0.01 0.00 -1.82 0.00 0.00 70.33 66.65 1h49 n THR 417 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1h49 s PRO 418 N -1.02 3.49 -0.41 -2.82 0.04 0.08 -2.36 135.00 132.00 1h49 s PRO 418 Ca 0.34 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.03 1h49 s PRO 418 Cb 0.09 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1h49 s PRO 418 CO -0.13 -0.80 0.58 -1.17 0.04 0.00 0.00 177.00 175.52 1h49 s LEU 419 N -3.36 4.50 0.38 -3.56 0.20 -1.26 -4.87 118.68 110.72 1h49 s LEU 419 Ca 0.68 -0.28 -0.27 0.00 0.69 0.00 0.00 54.13 54.95 1h49 s LEU 419 Cb -0.30 -2.65 -0.11 0.00 -0.43 0.00 0.00 46.19 42.70 1h49 s LEU 419 CO 0.36 -0.66 1.30 -2.65 -0.29 0.00 0.00 176.35 174.41 1h49 n PRO 420 N 6.02 2.10 -0.18 0.98 -0.02 -1.26 -4.79 135.00 137.86 1h49 n PRO 420 Ca -0.03 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1h49 n PRO 420 Cb 0.48 -2.39 0.40 0.00 -0.02 0.00 0.00 33.50 31.97 1h49 n PRO 420 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1h49 h MET 421 N 2.39 0.62 -0.32 -0.52 4.05 -1.99 -1.62 114.93 117.54 1h49 h MET 421 Ca -0.47 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 58.90 1h49 h MET 421 Cb 1.28 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1h49 h MET 421 CO 0.62 0.41 0.16 1.49 0.23 0.00 0.00 176.91 179.82 1h49 h GLU 422 N 0.64 0.45 -0.28 0.39 4.81 -1.99 -1.89 114.58 116.70 1h49 h GLU 422 Ca 0.34 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1h49 h GLU 422 Cb 0.48 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1h49 h GLU 422 CO -0.12 0.40 -0.15 0.00 -0.73 0.00 0.00 179.01 178.42 1h49 h ALA 423 N 1.03 1.23 -0.66 2.92 0.00 -1.75 -1.57 119.26 120.45 1h49 h ALA 423 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1h49 h ALA 423 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1h49 h ALA 423 CO -0.02 0.50 0.25 0.00 0.00 0.00 0.00 179.25 179.99 1h49 h ALA 424 N 1.40 1.21 0.00 0.00 0.00 -1.04 -2.61 119.26 118.21 1h49 h ALA 424 Ca 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1h49 h ALA 424 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h49 h ALA 424 CO 0.03 0.58 -0.69 -0.07 0.00 0.00 0.00 179.25 179.10 1h49 h LEU 425 N 0.95 0.00 -5.90 0.00 3.38 -1.12 -3.36 115.31 109.27 1h49 h LEU 425 Ca 0.22 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.45 1h49 h LEU 425 Cb 0.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1h49 h LEU 425 CO -0.02 0.65 2.38 0.59 0.09 0.00 0.00 178.44 182.14 1h49 n ASN 426 N -3.25 6.93 -3.61 -0.43 3.02 -0.61 -1.06 115.26 116.26 1h49 n ASN 426 Ca 0.01 -3.09 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 1h49 n ASN 426 Cb 0.80 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1h49 n ASN 426 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1h49 n ASP 427 N 2.70 7.37 0.17 6.41 5.75 -1.26 -4.69 116.55 133.02 1h49 n ASP 427 Ca 0.55 -3.28 0.02 0.00 -0.01 0.00 0.00 54.79 52.07 1h49 n ASP 427 Cb 0.29 -1.33 0.31 0.00 -1.03 0.00 0.00 41.12 39.37 1h49 n ASP 427 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1h49 h TYR 428 N 4.73 0.00 -0.45 2.11 -1.99 -1.90 -0.98 116.97 118.49 1h49 h TYR 428 Ca 0.59 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.32 1h49 h TYR 428 Cb 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1h49 h TYR 428 CO 1.46 0.44 0.27 -0.22 -0.00 0.00 0.00 178.16 180.11 1h49 h LYS 429 N 0.00 0.60 -0.28 4.88 1.63 -2.00 0.10 116.57 121.51 1h49 h LYS 429 Ca -0.00 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.65 1h49 h LYS 429 Cb 0.82 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1h49 h LYS 429 CO 0.06 0.44 -0.21 -0.09 -3.45 0.00 0.00 179.45 176.19 1h49 h ARG 430 N 0.60 0.63 -0.46 1.90 2.43 -1.83 -2.21 114.38 115.44 1h49 h ARG 430 Ca 0.16 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1h49 h ARG 430 Cb -0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1h49 h ARG 430 CO -0.03 0.91 0.22 1.25 -1.51 0.00 0.00 179.97 180.80 1h49 h LEU 431 N 0.36 0.31 -0.83 3.80 5.85 -1.04 -0.50 115.31 123.26 1h49 h LEU 431 Ca 0.05 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1h49 h LEU 431 Cb 0.76 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1h49 h LEU 431 CO 0.06 0.22 0.55 -0.78 -0.34 0.00 0.00 178.44 178.14 1h49 h ASP 432 N 0.44 0.95 -0.34 1.25 3.58 -0.87 -0.91 116.42 120.52 1h49 h ASP 432 Ca 0.20 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1h49 h ASP 432 Cb 0.13 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1h49 h ASP 432 CO -0.15 0.69 -0.21 0.22 -2.88 0.00 0.00 179.24 176.91 1h49 h TYR 433 N 1.12 0.86 -0.15 0.28 5.03 -0.76 -2.09 116.97 121.26 1h49 h TYR 433 Ca 0.30 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1h49 h TYR 433 Cb -0.13 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 37.95 1h49 h TYR 433 CO -0.01 0.96 0.06 0.82 -1.32 0.00 0.00 178.16 178.67 1h49 h ILE 434 N 0.51 1.14 -0.81 1.81 2.04 -0.86 -2.39 117.51 118.95 1h49 h ILE 434 Ca 0.07 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1h49 h ILE 434 Cb 0.76 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1h49 h ILE 434 CO 0.06 0.13 0.52 1.56 0.00 0.00 0.00 178.15 180.42 1h49 h GLN 435 N 0.10 0.98 -0.21 2.37 4.20 -1.05 -1.66 115.11 119.84 1h49 h GLN 435 Ca 0.05 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1h49 h GLN 435 Cb 0.15 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1h49 h GLN 435 CO -0.00 0.65 -0.35 0.00 -0.67 0.00 0.00 178.83 178.45 1h49 h ARG 436 N 1.01 0.44 -0.05 1.46 3.08 -1.28 -1.06 114.38 117.98 1h49 h ARG 436 Ca 0.33 -0.20 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 1h49 h ARG 436 Cb 0.02 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1h49 h ARG 436 CO -0.12 0.74 -0.92 0.45 -1.07 0.00 0.00 179.97 179.05 1h49 h HIS 437 N 0.38 0.93 -0.77 3.04 3.86 -1.09 -0.14 115.15 121.36 1h49 h HIS 437 Ca 0.04 -0.47 -0.04 0.00 -1.16 0.00 0.00 60.37 58.74 1h49 h HIS 437 Cb 0.80 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1h49 h HIS 437 CO 0.02 1.30 0.33 0.82 0.86 0.00 0.00 177.93 181.27 1h49 h ILE 438 N 0.40 1.25 -0.41 2.45 2.04 -1.26 -1.61 117.51 120.37 1h49 h ILE 438 Ca -0.09 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1h49 h ILE 438 Cb 1.56 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1h49 h ILE 438 CO 0.18 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.86 1h49 h ALA 439 N 1.26 0.51 -0.32 1.87 0.00 -1.00 -1.57 119.26 120.00 1h49 h ALA 439 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h49 h ALA 439 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1h49 h ALA 439 CO -0.03 -0.13 0.20 1.15 0.00 0.00 0.00 179.25 180.44 1h49 h THR 440 N 0.44 1.09 -0.33 0.00 2.02 -0.56 -2.12 112.91 113.45 1h49 h THR 440 Ca 0.17 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1h49 h THR 440 Cb 0.05 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1h49 h THR 440 CO -0.10 0.10 -0.10 -0.07 0.37 0.00 0.00 175.52 175.71 1h49 h LEU 441 N 0.44 0.54 -0.10 2.58 3.38 -0.33 0.60 115.31 122.43 1h49 h LEU 441 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1h49 h LEU 441 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1h49 h LEU 441 CO -0.02 0.68 0.03 0.50 0.09 0.00 0.00 178.44 179.72 1h49 h LYS 442 N 0.52 0.15 -0.71 1.13 1.63 -1.00 -1.33 116.57 116.95 1h49 h LYS 442 Ca 0.10 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1h49 h LYS 442 Cb 0.48 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.06 1h49 h LYS 442 CO 0.03 0.30 0.47 0.93 -3.45 0.00 0.00 179.45 177.72 1h49 h GLU 443 N -0.03 0.90 -0.39 1.90 5.08 -1.11 -1.85 114.58 119.07 1h49 h GLU 443 Ca 0.03 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1h49 h GLU 443 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1h49 h GLU 443 CO -0.00 0.59 -0.35 0.77 -1.00 0.00 0.00 179.01 179.02 1h49 h SER 444 N 0.92 0.99 -0.77 1.42 0.02 -0.76 -2.55 113.55 112.83 1h49 h SER 444 Ca 0.27 -0.46 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1h49 h SER 444 Cb -0.05 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 1h49 h SER 444 CO -0.06 1.24 0.50 0.40 -1.14 0.00 0.00 176.83 177.77 1h49 h ILE 445 N 0.76 1.15 0.00 3.27 2.04 -0.76 -1.60 117.51 122.37 1h49 h ILE 445 Ca 0.07 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1h49 h ILE 445 Cb 0.95 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1h49 h ILE 445 CO 0.09 0.18 -0.11 0.44 0.00 0.00 0.00 178.15 178.75 1h49 h ASP 446 N 0.99 0.00 -0.24 1.72 3.32 -1.23 -0.94 116.42 120.05 1h49 h ASP 446 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1h49 h ASP 446 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1h49 h ASP 446 CO -0.09 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1h49 n LEU 447 N -3.54 2.04 0.00 1.55 4.77 -0.68 -4.93 117.00 116.21 1h49 n LEU 447 Ca -0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1h49 n LEU 447 Cb 0.24 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1h49 n LEU 447 CO 0.29 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1h49 n GLY 448 N 1.19 0.93 3.76 -0.72 0.00 -0.36 -5.06 105.19 104.93 1h49 n GLY 448 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1h49 n GLY 448 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h49 s SER 449 N -2.06 5.83 -0.31 1.61 0.15 -0.72 -4.93 113.70 113.27 1h49 s SER 449 Ca 0.00 2.81 0.03 0.00 0.70 0.00 0.00 55.95 59.48 1h49 s SER 449 Cb 0.00 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 62.12 1h49 s SER 449 CO 0.00 -1.20 1.63 -3.20 1.20 0.00 0.00 173.24 171.67 1h49 n ASN 450 N -0.34 3.53 -4.74 5.45 5.15 -1.26 -4.57 115.26 118.48 1h49 n ASN 450 Ca 0.06 -3.10 -0.41 0.00 -0.60 0.00 0.00 54.58 50.53 1h49 n ASN 450 Cb 0.43 -0.73 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 1h49 n ASN 450 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1h49 s VAL 451 N -2.25 2.84 0.00 3.44 0.11 -1.26 -2.21 120.40 121.07 1h49 s VAL 451 Ca 0.39 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 1h49 s VAL 451 Cb 0.33 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1h49 s VAL 451 CO 0.07 0.11 0.23 0.00 -3.33 0.00 0.00 175.10 172.18 1h49 n GLN 452 N 2.45 2.68 -3.74 1.54 1.13 0.20 -4.86 117.38 116.78 1h49 n GLN 452 Ca 0.07 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1h49 n GLN 452 Cb 0.41 -0.70 -0.00 0.00 0.11 0.00 0.00 30.24 30.06 1h49 n GLN 452 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1h49 s GLY 453 N -0.45 -0.27 -0.10 1.08 0.00 -1.23 -2.10 107.32 104.26 1h49 s GLY 453 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 44.72 45.02 1h49 s GLY 453 CO 0.00 1.21 0.22 -0.47 0.00 0.00 0.00 173.10 174.06 1h49 s TYR 454 N -2.51 -0.30 -0.14 1.90 5.04 -0.20 -1.46 117.35 119.69 1h49 s TYR 454 Ca 0.17 0.73 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 1h49 s TYR 454 Cb 0.02 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.36 1h49 s TYR 454 CO -0.01 -0.22 -0.14 -0.06 -1.34 0.00 0.00 175.55 173.78 1h49 s PHE 455 N 1.29 2.08 0.09 4.97 0.40 0.70 -0.57 117.98 126.94 1h49 s PHE 455 Ca -0.09 -1.12 -0.31 0.00 -0.60 0.00 0.00 56.93 54.82 1h49 s PHE 455 Cb -0.11 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.83 1h49 s PHE 455 CO -0.08 -0.61 1.24 0.00 0.70 0.00 0.00 175.22 176.47 1h49 s ALA 456 N 1.38 3.44 -0.17 5.36 0.00 -0.32 -2.83 121.76 128.62 1h49 s ALA 456 Ca 0.02 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1h49 s ALA 456 Cb -0.13 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1h49 s ALA 456 CO -0.08 -0.46 0.90 -0.46 0.00 0.00 0.00 175.76 175.65 1h49 s TRP 457 N 0.92 3.41 0.00 0.00 -0.11 0.45 -1.65 118.94 121.96 1h49 s TRP 457 Ca 0.59 1.35 0.00 0.00 1.22 0.00 0.00 56.10 59.26 1h49 s TRP 457 Cb -0.31 -3.10 0.00 0.00 -1.50 0.00 0.00 33.47 28.56 1h49 s TRP 457 CO 0.30 -0.29 0.00 0.43 -4.62 0.00 0.00 176.95 172.77 1h49 n SER 458 N 5.45 -1.43 -0.28 5.86 7.64 -0.84 -4.63 113.62 125.40 1h49 n SER 458 Ca 0.07 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.04 1h49 n SER 458 Cb 0.48 -0.71 0.24 0.00 -1.01 0.00 0.00 64.21 63.21 1h49 n SER 458 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1h49 h LEU 459 N 0.00 0.11 -8.38 -3.43 6.46 -1.54 -0.55 115.31 107.99 1h49 h LEU 459 Ca 0.00 0.16 -0.49 0.00 -0.12 0.00 0.00 57.88 57.42 1h49 h LEU 459 Cb 0.00 0.19 -0.26 0.00 -0.73 0.00 0.00 40.66 39.86 1h49 h LEU 459 CO 0.00 -0.04 -0.81 -0.76 -0.62 0.00 0.00 178.44 176.20 1h49 s LEU 460 N -10.57 2.15 0.19 2.25 1.43 -1.26 -1.56 118.68 111.30 1h49 s LEU 460 Ca -0.12 -0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 52.20 1h49 s LEU 460 Cb 0.23 -0.74 -0.14 0.00 0.03 0.00 0.00 46.19 45.58 1h49 s LEU 460 CO 0.77 0.09 1.49 0.47 0.23 0.00 0.00 176.35 179.40 1h49 n ASP 461 N 2.01 2.84 -2.33 2.29 10.43 -0.91 -3.86 116.55 127.02 1h49 n ASP 461 Ca -0.17 1.11 -0.10 0.00 2.57 0.00 0.00 54.79 58.20 1h49 n ASP 461 Cb 0.54 -1.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.07 1h49 n ASP 461 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1h49 n ASN 462 N 2.84 -0.91 -4.61 -2.24 2.04 -1.26 -4.68 115.26 106.44 1h49 n ASN 462 Ca 0.15 -2.26 -0.43 0.00 -0.44 0.00 0.00 54.58 51.60 1h49 n ASN 462 Cb 0.29 1.70 -0.02 0.00 -2.53 0.00 0.00 39.78 39.22 1h49 n ASN 462 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1h49 s PHE 463 N -3.62 2.42 -1.08 -2.53 5.36 -0.84 -4.68 117.98 113.02 1h49 s PHE 463 Ca 0.19 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 56.85 1h49 s PHE 463 Cb -0.01 -4.18 0.25 0.00 -0.34 0.00 0.00 43.02 38.74 1h49 s PHE 463 CO 0.14 -2.02 2.07 -1.91 -1.46 0.00 0.00 175.22 172.04 1h49 n GLU 464 N 7.88 4.80 0.00 10.12 4.07 0.21 -4.64 120.64 143.08 1h49 n GLU 464 Ca 0.16 -4.08 0.00 0.00 -0.06 0.00 0.00 57.16 53.19 1h49 n GLU 464 Cb 0.47 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 1h49 n GLU 464 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1h49 n TRP 465 N 0.50 0.00 -0.18 4.31 7.02 -1.26 -0.69 117.44 127.14 1h49 n TRP 465 Ca 0.53 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 57.07 1h49 n TRP 465 Cb 0.27 0.00 0.35 0.00 -2.42 0.00 0.00 31.31 29.51 1h49 n TRP 465 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 1h49 h PHE 466 N 0.00 0.77 0.00 -5.99 3.04 -1.90 -0.64 116.94 112.21 1h49 h PHE 466 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h49 h PHE 466 Cb 0.00 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.26 1h49 h PHE 466 CO 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 178.31 176.70 1h49 n ALA 467 N -2.45 1.82 -0.81 2.41 0.00 0.14 -1.06 120.51 120.56 1h49 n ALA 467 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1h49 n ALA 467 Cb 0.22 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1h49 n ALA 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h49 n GLY 468 N 0.34 3.36 1.09 0.00 0.00 -0.25 -1.38 105.19 108.35 1h49 n GLY 468 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1h49 n GLY 468 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h49 n PHE 469 N 14.00 0.94 0.93 1.61 3.72 -1.26 -0.62 117.46 136.78 1h49 n PHE 469 Ca 0.00 -0.37 0.12 0.00 -0.05 0.00 0.00 57.45 57.15 1h49 n PHE 469 Cb 0.00 -0.17 0.56 0.00 -0.94 0.00 0.00 39.48 38.93 1h49 n PHE 469 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1h49 n THR 470 N 0.62 0.24 -4.21 4.37 -2.24 -0.48 -4.65 114.28 107.94 1h49 n THR 470 Ca 0.16 0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.77 1h49 n THR 470 Cb 0.60 -0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 68.04 1h49 n THR 470 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1h49 s GLU 471 N -2.93 1.26 -0.43 -0.78 2.02 -1.26 -0.53 118.70 116.05 1h49 s GLU 471 Ca 0.14 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 54.78 1h49 s GLU 471 Cb 0.17 -1.21 0.06 0.00 0.10 0.00 0.00 34.13 33.24 1h49 s GLU 471 CO 0.45 -0.11 0.32 1.03 0.02 0.00 0.00 175.26 176.97 1h49 s ARG 472 N 1.11 2.87 0.00 1.61 0.52 -0.36 -4.63 118.95 120.07 1h49 s ARG 472 Ca -0.07 -1.28 0.23 0.00 -0.52 0.00 0.00 55.73 54.09 1h49 s ARG 472 Cb -0.14 -3.97 0.15 0.00 0.52 0.00 0.00 34.95 31.51 1h49 s ARG 472 CO -0.01 -0.92 1.19 0.66 0.02 0.00 0.00 175.30 176.24 1h49 n TYR 473 N 5.10 0.00 -1.81 -0.53 4.02 -1.26 -1.29 117.16 121.39 1h49 n TYR 473 Ca -0.12 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.39 1h49 n TYR 473 Cb 0.44 -0.03 0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1h49 n TYR 473 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1h49 s GLY 474 N -2.53 2.89 0.23 2.72 0.00 -1.25 -4.26 107.32 105.12 1h49 s GLY 474 Ca 0.19 1.33 0.25 0.00 0.00 0.00 0.00 44.72 46.48 1h49 s GLY 474 CO 0.59 1.86 1.54 0.16 0.00 0.00 0.00 173.10 177.25 1h49 h ILE 475 N 1.59 0.00 -3.29 0.90 3.07 -1.09 -3.44 117.51 115.24 1h49 h ILE 475 Ca -0.51 -0.65 -0.66 0.00 1.55 0.00 0.00 64.86 64.59 1h49 h ILE 475 Cb 1.29 1.48 -0.29 0.00 -0.27 0.00 0.00 36.82 39.03 1h49 h ILE 475 CO 0.58 0.00 -0.78 -0.69 -1.05 0.00 0.00 178.15 176.20 1h49 s VAL 476 N -3.17 2.84 0.20 0.16 1.01 -0.60 -1.84 120.40 119.00 1h49 s VAL 476 Ca 0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1h49 s VAL 476 Cb 0.11 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1h49 s VAL 476 CO 0.67 0.51 1.34 -0.47 0.00 0.00 0.00 175.10 177.14 1h49 s TYR 477 N 0.81 3.21 -0.21 5.22 5.04 0.48 -2.14 117.35 129.77 1h49 s TYR 477 Ca -0.05 1.17 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 1h49 s TYR 477 Cb -0.15 -3.64 -0.00 0.00 0.35 0.00 0.00 41.96 38.51 1h49 s TYR 477 CO 0.00 -2.04 -0.07 0.08 -1.34 0.00 0.00 175.55 172.18 1h49 s VAL 478 N 0.13 3.11 -0.80 3.14 1.01 -1.26 -1.56 120.40 124.18 1h49 s VAL 478 Ca 0.57 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1h49 s VAL 478 Cb -0.37 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 33.73 1h49 s VAL 478 CO 0.39 0.44 0.94 -0.62 0.00 0.00 0.00 175.10 176.24 1h49 s ASP 479 N 1.44 6.49 0.46 3.32 3.68 0.02 -4.88 116.67 127.19 1h49 s ASP 479 Ca 0.05 -1.89 0.26 0.00 2.13 0.00 0.00 52.55 53.10 1h49 s ASP 479 Cb -0.14 -2.34 0.93 0.00 -1.45 0.00 0.00 42.92 39.92 1h49 s ASP 479 CO -0.05 -1.03 1.82 0.03 0.13 0.00 0.00 175.17 176.07 1h49 h ARG 480 N 8.81 0.00 0.00 4.34 3.08 -1.91 0.14 114.38 128.84 1h49 h ARG 480 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1h49 h ARG 480 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1h49 h ARG 480 CO 1.05 0.16 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.94 1h49 h ASN 481 N 0.00 0.00 0.00 7.04 2.35 -1.99 -3.41 115.58 119.57 1h49 h ASN 481 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1h49 h ASN 481 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1h49 h ASN 481 CO 0.02 0.26 0.00 0.59 -1.65 0.00 0.00 177.43 176.65 1h49 n ASN 482 N -3.42 0.00 -2.92 5.81 4.13 -1.09 -4.99 115.26 112.79 1h49 n ASN 482 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1h49 n ASN 482 Cb 0.45 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.72 1h49 n ASN 482 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1h49 n ASN 483 N 0.00 -0.31 -3.54 6.41 3.02 -1.20 -4.93 115.26 114.71 1h49 n ASN 483 Ca 0.00 -3.11 -0.26 0.00 -0.03 0.00 0.00 54.58 51.18 1h49 n ASN 483 Cb 0.00 0.33 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1h49 n ASN 483 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h49 s THR 485 N -3.17 2.79 -0.11 0.00 2.01 -1.14 -4.45 115.64 111.57 1h49 s THR 485 Ca 0.51 0.74 -0.05 0.00 0.31 0.00 0.00 61.69 63.20 1h49 s THR 485 Cb -0.25 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1h49 s THR 485 CO 0.63 0.13 0.06 -0.13 -0.69 0.00 0.00 174.62 174.62 1h49 s ARG 486 N -2.04 3.32 -0.05 4.92 3.00 -1.26 -0.80 118.95 126.03 1h49 s ARG 486 Ca 0.53 -0.30 -0.00 0.00 0.00 0.00 0.00 55.73 55.96 1h49 s ARG 486 Cb -0.37 -3.00 0.03 0.00 0.00 0.00 0.00 34.95 31.60 1h49 s ARG 486 CO 0.48 0.65 -0.01 0.71 0.00 0.00 0.00 175.30 177.13 1h49 s TYR 487 N -0.71 0.61 0.24 -0.53 1.51 -0.60 -4.99 117.35 112.88 1h49 s TYR 487 Ca 0.12 -0.14 -0.31 0.00 -1.01 0.00 0.00 57.07 55.73 1h49 s TYR 487 Cb -0.12 -0.66 -0.12 0.00 -0.11 0.00 0.00 41.96 40.96 1h49 s TYR 487 CO 0.02 -0.23 1.68 -1.64 -1.11 0.00 0.00 175.55 174.28 1h49 s MET 488 N 1.39 4.12 0.77 -0.62 -1.94 -1.26 -0.39 119.30 121.37 1h49 s MET 488 Ca -0.04 2.61 -0.09 0.00 -1.71 0.00 0.00 55.69 56.46 1h49 s MET 488 Cb -0.13 -3.05 0.09 0.00 2.01 0.00 0.00 34.83 33.75 1h49 s MET 488 CO -0.02 -0.72 1.11 0.15 -0.01 0.00 0.00 175.02 175.52 1h49 s LYS 489 N 0.54 1.89 0.37 2.03 1.02 -0.77 -4.85 119.74 119.97 1h49 s LYS 489 Ca 0.71 -0.20 0.05 0.00 0.02 0.00 0.00 55.97 56.54 1h49 s LYS 489 Cb -0.49 -2.06 0.73 0.00 -0.52 0.00 0.00 37.83 35.48 1h49 s LYS 489 CO 0.38 -1.52 2.01 0.93 -0.92 0.00 0.00 175.35 176.23 1h49 h GLU 490 N -0.88 0.72 -0.46 1.68 4.39 -1.38 -1.51 114.58 117.14 1h49 h GLU 490 Ca -0.44 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.23 1h49 h GLU 490 Cb 1.31 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1h49 h GLU 490 CO 0.58 0.48 0.28 0.66 -1.16 0.00 0.00 179.01 179.85 1h49 h SER 491 N 0.75 0.45 -0.83 1.42 4.64 -1.83 0.04 113.55 118.18 1h49 h SER 491 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1h49 h SER 491 Cb 0.01 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1h49 h SER 491 CO -0.06 0.32 0.39 0.00 -0.87 0.00 0.00 176.83 176.61 1h49 h ALA 492 N 1.20 1.11 -0.47 5.18 0.00 -1.51 -2.22 119.26 122.55 1h49 h ALA 492 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1h49 h ALA 492 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1h49 h ALA 492 CO -0.08 0.66 0.03 0.87 0.00 0.00 0.00 179.25 180.73 1h49 h LYS 493 N 1.20 0.76 -0.31 0.00 1.57 -0.71 -1.99 116.57 117.09 1h49 h LYS 493 Ca 0.29 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1h49 h LYS 493 Cb 0.13 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1h49 h LYS 493 CO -0.03 0.75 -0.48 2.35 -0.57 0.00 0.00 179.45 181.47 1h49 h TRP 494 N 0.72 1.03 -0.20 -1.35 7.01 -0.75 -2.79 115.95 119.62 1h49 h TRP 494 Ca 0.15 -0.34 -0.05 0.00 2.11 0.00 0.00 58.89 60.75 1h49 h TRP 494 Cb 0.40 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 1h49 h TRP 494 CO 0.02 1.15 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.64 1h49 h LEU 495 N 0.66 0.30 -0.02 0.65 3.38 -1.20 0.92 115.31 120.00 1h49 h LEU 495 Ca 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h49 h LEU 495 Cb 1.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1h49 h LEU 495 CO 0.11 0.44 0.00 0.50 0.09 0.00 0.00 178.44 179.59 1h49 h LYS 496 N 0.30 0.03 -0.74 1.13 3.64 -1.27 -0.94 116.57 118.72 1h49 h LYS 496 Ca 0.06 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1h49 h LYS 496 Cb 0.38 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1h49 h LYS 496 CO 0.02 0.27 0.49 1.49 -2.27 0.00 0.00 179.45 179.45 1h49 h GLU 497 N -0.21 0.97 -0.03 1.90 4.81 -1.21 -1.25 114.58 119.56 1h49 h GLU 497 Ca 0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1h49 h GLU 497 Cb 0.25 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1h49 h GLU 497 CO 0.00 0.64 0.00 0.35 -0.73 0.00 0.00 179.01 179.27 1h49 h PHE 498 N 1.00 0.05 -0.01 0.92 3.04 -0.72 -2.65 116.94 118.56 1h49 h PHE 498 Ca 0.27 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 62.06 1h49 h PHE 498 Cb -0.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1h49 h PHE 498 CO -0.00 0.34 -0.69 -0.91 -2.02 0.00 0.00 178.31 175.02 1h49 h ASN 499 N -0.24 0.09 0.00 0.41 2.35 -0.97 -3.36 115.58 113.86 1h49 h ASN 499 Ca 0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1h49 h ASN 499 Cb 0.31 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1h49 h ASN 499 CO 0.00 0.75 -1.07 0.35 -1.65 0.00 0.00 177.43 175.82 1h49 n THR 500 N -3.75 0.00 -1.87 2.81 -2.24 -0.49 -4.88 114.28 103.86 1h49 n THR 500 Ca -0.02 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1h49 n THR 500 Cb 0.68 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 1h49 n THR 500 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h49 s ALA 501 N -2.65 1.76 0.00 6.98 0.00 -1.00 -5.06 121.76 121.79 1h49 s ALA 501 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1h49 s ALA 501 Cb 0.11 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1h49 s ALA 501 CO 0.62 -4.47 0.00 1.17 0.00 0.00 0.00 175.76 173.08