#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 3.87 0.61 -0.89 1.43 -1.26 -5.06 118.68 117.38 1h49 s LEU 13 Ca 0.00 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 1h49 s LEU 13 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 1h49 s LEU 13 CO 0.00 -0.71 1.04 -0.94 0.23 0.00 0.00 176.35 175.97 1h49 s SER 14 N -2.00 5.93 0.44 2.29 1.04 -1.26 -4.91 113.70 115.23 1h49 s SER 14 Ca 0.66 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.89 1h49 s SER 14 Cb -0.15 -2.51 1.03 0.00 0.10 0.00 0.00 66.02 64.49 1h49 s SER 14 CO 0.19 -1.07 1.99 1.55 0.98 0.00 0.00 173.24 176.88 1h49 h PRO 15 N 0.15 0.39 0.00 4.02 0.13 -1.97 -0.95 132.00 133.77 1h49 h PRO 15 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1h49 h PRO 15 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1h49 h PRO 15 CO 0.59 0.26 -0.07 0.66 -0.23 0.00 0.00 178.00 179.20 1h49 h SER 16 N 0.40 0.00 0.07 1.44 4.64 -2.04 -3.17 113.55 114.89 1h49 h SER 16 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1h49 h SER 16 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1h49 h SER 16 CO -0.07 0.07 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.24 1h49 n GLU 17 N -3.13 1.44 -2.65 4.77 1.02 -0.39 -4.90 120.64 116.81 1h49 n GLU 17 Ca 0.03 -0.91 -0.42 0.00 -0.02 0.00 0.00 57.16 55.84 1h49 n GLU 17 Cb 0.52 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1h49 n GLU 17 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h49 s ILE 18 N -2.19 4.69 0.44 -3.67 -1.09 -1.06 -4.90 121.20 113.43 1h49 s ILE 18 Ca 0.32 1.96 -0.25 0.00 -2.23 0.00 0.00 60.65 60.44 1h49 s ILE 18 Cb 0.20 -4.26 -0.08 0.00 -1.58 0.00 0.00 42.46 36.74 1h49 s ILE 18 CO 0.40 0.01 1.42 -2.84 -1.23 0.00 0.00 174.94 172.70 1h49 s PRO 19 N 2.02 3.73 0.16 2.79 0.02 -1.26 -5.02 135.00 137.43 1h49 s PRO 19 Ca 0.50 2.41 0.09 0.00 0.02 0.00 0.00 61.00 64.02 1h49 s PRO 19 Cb -0.19 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1h49 s PRO 19 CO 0.19 -0.78 -0.14 -0.65 -0.33 0.00 0.00 177.00 175.28 1h49 s GLN 20 N -2.41 1.89 0.43 5.54 -1.52 -1.26 -5.02 119.66 117.30 1h49 s GLN 20 Ca 0.60 -1.28 0.11 0.00 -1.95 0.00 0.00 55.36 52.84 1h49 s GLN 20 Cb -0.44 -2.09 0.93 0.00 -0.22 0.00 0.00 33.01 31.19 1h49 s GLN 20 CO 0.56 0.44 2.00 -0.09 -0.25 0.00 0.00 175.29 177.96 1h49 h ARG 21 N 3.20 0.22 0.00 2.91 9.65 -1.87 -1.75 114.38 126.75 1h49 h ARG 21 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1h49 h ARG 21 Cb 1.19 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1h49 h ARG 21 CO 0.51 0.27 0.00 -0.40 2.80 0.00 0.00 179.97 183.15 1h49 n ASP 22 N -4.38 0.00 0.17 -3.80 5.68 -1.26 -1.79 116.55 111.17 1h49 n ASP 22 Ca -0.01 -0.33 0.13 0.00 -0.50 0.00 0.00 54.79 54.09 1h49 n ASP 22 Cb 0.18 -0.14 0.53 0.00 -1.14 0.00 0.00 41.12 40.56 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 0.00 -3.50 2.11 4.06 -1.73 -3.46 115.95 113.43 1h49 h TRP 23 Ca 0.00 0.00 -0.67 0.00 2.06 0.00 0.00 58.89 60.28 1h49 h TRP 23 Cb 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.06 1h49 h TRP 23 CO 0.00 0.00 -0.82 -0.06 -3.56 0.00 0.00 178.44 174.00 1h49 s PHE 24 N -3.40 2.42 0.76 0.49 0.40 -0.74 -4.97 117.98 112.94 1h49 s PHE 24 Ca 0.04 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 55.90 1h49 s PHE 24 Cb 0.09 -1.25 0.05 0.00 0.51 0.00 0.00 43.02 42.43 1h49 s PHE 24 CO 0.45 0.43 1.21 -0.35 0.70 0.00 0.00 175.22 177.66 1h49 n PRO 25 N 0.55 0.43 0.24 0.24 -0.04 -1.26 -4.89 135.00 130.27 1h49 n PRO 25 Ca -0.15 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1h49 n PRO 25 Cb 0.54 -2.45 0.59 0.00 -0.04 0.00 0.00 33.50 32.15 1h49 n PRO 25 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h49 h SER 26 N -0.51 0.00 0.12 3.54 4.64 -1.98 -2.08 113.55 117.29 1h49 h SER 26 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1h49 h SER 26 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1h49 h SER 26 CO 0.48 0.19 -0.06 -0.90 -0.87 0.00 0.00 176.83 175.67 1h49 n ASP 27 N -3.73 0.82 -4.75 4.97 3.85 -1.26 -4.91 116.55 111.55 1h49 n ASP 27 Ca -0.02 -1.06 -0.38 0.00 -0.71 0.00 0.00 54.79 52.63 1h49 n ASP 27 Cb 0.31 -0.01 0.04 0.00 -1.35 0.00 0.00 41.12 40.11 1h49 n ASP 27 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1h49 s PHE 28 N -2.19 2.32 -0.20 2.11 5.36 -0.79 -5.00 117.98 119.59 1h49 s PHE 28 Ca 0.36 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.72 1h49 s PHE 28 Cb 0.21 -3.73 -0.00 0.00 -0.34 0.00 0.00 43.02 39.16 1h49 s PHE 28 CO 0.40 -2.73 -0.09 0.99 -1.46 0.00 0.00 175.22 172.34 1h49 s THR 29 N -1.35 3.05 -0.10 0.12 2.01 -0.82 -5.01 115.64 113.54 1h49 s THR 29 Ca 0.72 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1h49 s THR 29 Cb -0.38 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1h49 s THR 29 CO 0.45 0.46 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.43 1h49 s PHE 30 N 1.33 3.01 0.13 4.92 0.08 -1.26 -0.72 117.98 125.47 1h49 s PHE 30 Ca 0.04 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 1h49 s PHE 30 Cb -0.14 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1h49 s PHE 30 CO -0.05 0.27 0.20 0.41 -0.10 0.00 0.00 175.22 175.96 1h49 n GLY 31 N 2.55 2.36 3.28 4.36 0.00 0.36 -0.34 105.19 117.76 1h49 n GLY 31 Ca -0.18 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.75 1.55 0.03 4.61 0.00 -1.16 -1.39 121.76 123.65 1h49 s ALA 32 Ca 0.08 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1h49 s ALA 32 Cb -0.01 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1h49 s ALA 32 CO 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 175.76 175.44 1h49 s ALA 33 N -3.62 0.28 0.31 0.00 0.00 -0.59 -1.08 121.76 117.07 1h49 s ALA 33 Ca 0.28 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1h49 s ALA 33 Cb 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1h49 s ALA 33 CO 0.07 -0.11 0.38 0.95 0.00 0.00 0.00 175.76 177.06 1h49 s THR 34 N -1.41 0.00 0.09 0.00 -4.23 -0.03 -1.83 115.64 108.23 1h49 s THR 34 Ca -0.14 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1h49 s THR 34 Cb -0.10 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1h49 s THR 34 CO -0.01 0.00 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.05 1h49 s SER 35 N -3.24 1.24 0.06 3.99 1.04 -1.26 -3.93 113.70 111.60 1h49 s SER 35 Ca 0.33 -0.83 -0.35 0.00 0.48 0.00 0.00 55.95 55.59 1h49 s SER 35 Cb 0.01 0.04 -0.20 0.00 0.10 0.00 0.00 66.02 65.98 1h49 s SER 35 CO 0.20 -0.32 1.59 0.00 0.98 0.00 0.00 173.24 175.69 1h49 h ALA 36 N 3.54 -1.08 -0.87 5.32 0.00 -1.90 -2.39 119.26 121.88 1h49 h ALA 36 Ca -0.36 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.37 1h49 h ALA 36 Cb 1.18 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1h49 h ALA 36 CO 0.55 -1.10 0.57 -0.92 0.00 0.00 0.00 179.25 178.34 1h49 h TYR 37 N -1.09 0.99 0.00 0.00 3.20 -1.94 -1.16 116.97 116.97 1h49 h TYR 37 Ca -0.11 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 1h49 h TYR 37 Cb 0.83 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1h49 h TYR 37 CO -0.02 0.52 -0.43 1.96 -1.64 0.00 0.00 178.16 178.56 1h49 h GLN 38 N 0.97 0.00 0.00 1.82 4.20 -1.71 -3.38 115.11 117.01 1h49 h GLN 38 Ca 0.37 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 1h49 h GLN 38 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1h49 h GLN 38 CO -0.14 0.43 -1.19 0.44 -0.67 0.00 0.00 178.83 177.70 1h49 n ILE 39 N -3.94 0.19 -0.14 2.54 -5.35 -0.94 -1.97 119.36 109.75 1h49 n ILE 39 Ca -0.02 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 1h49 n ILE 39 Cb 0.47 -0.92 -0.02 0.00 -1.74 0.00 0.00 39.64 37.43 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 0.84 0.00 6.28 5.08 -1.40 -1.22 114.58 124.17 1h49 h GLU 40 Ca -0.08 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1h49 h GLU 40 Cb 1.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1h49 h GLU 40 CO 0.00 0.99 0.00 0.41 -1.00 0.00 0.00 179.01 179.41 1h49 n GLY 41 N -0.11 1.67 4.32 -3.84 0.00 -0.82 -1.45 105.19 104.97 1h49 n GLY 41 Ca -0.01 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 6.88 -1.52 0.26 4.61 0.00 -0.82 -4.79 120.51 125.12 1h49 n ALA 42 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.33 1h49 n ALA 42 Cb 0.00 -2.23 0.68 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.40 0.00 0.00 0.00 5.08 -1.86 -3.02 115.95 114.76 1h49 h TRP 43 Ca -0.62 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.29 1h49 h TRP 43 Cb 1.39 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.41 1h49 h TRP 43 CO 0.61 0.10 -0.62 0.27 -1.28 0.00 0.00 178.44 177.53 1h49 n ASN 44 N -4.05 1.36 -4.80 0.11 6.94 -1.26 -4.67 115.26 108.89 1h49 n ASN 44 Ca -0.02 -2.93 -0.27 0.00 -0.02 0.00 0.00 54.58 51.34 1h49 n ASN 44 Cb 0.19 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.15 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 -1.71 2.91 -1.36 -3.83 2.02 -1.14 -4.67 118.70 110.92 1h49 s GLU 45 Ca 0.32 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 1h49 s GLU 45 Cb 0.32 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.89 1h49 s GLU 45 CO -0.08 0.50 0.64 -0.25 0.02 0.00 0.00 175.26 176.09 1h49 n ASP 46 N -0.18 -1.22 0.00 -0.19 8.00 -1.26 -2.34 116.55 119.36 1h49 n ASP 46 Ca -0.08 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1h49 n ASP 46 Cb 0.54 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 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 -1.70 0.39 3.73 0.44 0.00 -1.26 -4.50 105.19 102.29 1h49 n GLY 47 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.44 4.59 0.61 1.61 2.20 -0.99 -4.63 119.74 122.69 1h49 s LYS 48 Ca 0.00 1.61 -0.05 0.00 -0.36 0.00 0.00 55.97 57.16 1h49 s LYS 48 Cb 0.00 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1h49 s LYS 48 CO 0.00 0.03 0.91 0.20 -0.36 0.00 0.00 175.35 176.13 1h49 s GLY 49 N 0.31 1.64 0.41 5.54 0.00 -0.93 -4.59 107.32 109.71 1h49 s GLY 49 Ca 0.51 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 44.17 1h49 s GLY 49 CO 0.31 -0.50 1.16 1.85 0.00 0.00 0.00 173.10 175.92 1h49 s GLU 50 N -5.02 3.99 0.38 2.90 2.12 -1.26 -4.65 118.70 117.16 1h49 s GLU 50 Ca 0.55 1.81 0.08 0.00 0.36 0.00 0.00 54.97 57.77 1h49 s GLU 50 Cb -0.11 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 1h49 s GLU 50 CO 0.44 -0.36 0.29 -1.54 -0.54 0.00 0.00 175.26 173.55 1h49 s SER 51 N -1.20 4.96 0.33 -1.70 1.04 -1.26 -1.07 113.70 114.80 1h49 s SER 51 Ca 0.59 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 56.36 1h49 s SER 51 Cb -0.30 -0.69 0.79 0.00 0.10 0.00 0.00 66.02 65.93 1h49 s SER 51 CO 0.37 -0.50 1.82 -0.55 0.98 0.00 0.00 173.24 175.36 1h49 h ASN 52 N 1.23 0.72 0.37 7.02 -0.00 -1.50 -2.01 115.58 121.40 1h49 h ASN 52 Ca -0.43 0.07 -0.24 0.00 -0.00 0.00 0.00 56.30 55.70 1h49 h ASN 52 Cb 1.26 -0.07 0.01 0.00 -0.00 0.00 0.00 38.32 39.52 1h49 h ASN 52 CO 0.60 0.30 -1.03 -0.50 -0.00 0.00 0.00 177.43 176.81 1h49 h TRP 53 N 0.72 0.63 0.01 4.14 4.06 -1.86 -0.59 115.95 123.06 1h49 h TRP 53 Ca 0.52 -0.37 0.03 0.00 2.06 0.00 0.00 58.89 61.13 1h49 h TRP 53 Cb 0.86 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.92 1h49 h TRP 53 CO -0.00 1.21 -0.19 -0.44 -3.56 0.00 0.00 178.44 175.45 1h49 h ASP 54 N 0.21 -0.56 0.09 -3.49 3.45 -1.88 0.27 116.42 114.50 1h49 h ASP 54 Ca -0.10 0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 1h49 h ASP 54 Cb 1.68 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 40.68 1h49 h ASP 54 CO 0.18 -0.26 -0.34 1.12 -1.57 0.00 0.00 179.24 178.37 1h49 h HIS 55 N -0.31 0.40 0.62 4.55 2.07 -1.32 -2.54 115.15 118.62 1h49 h HIS 55 Ca 0.06 -0.10 -0.03 0.00 -2.85 0.00 0.00 60.37 57.45 1h49 h HIS 55 Cb 0.39 -0.09 0.01 0.00 2.57 0.00 0.00 27.41 30.28 1h49 h HIS 55 CO -0.24 0.65 -0.30 0.35 -3.07 0.00 0.00 177.93 175.33 1h49 h PHE 56 N 0.30 -0.77 -0.31 6.12 3.57 -0.97 -1.06 116.94 123.82 1h49 h PHE 56 Ca 0.04 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1h49 h PHE 56 Cb 0.74 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1h49 h PHE 56 CO 0.02 -0.48 0.29 0.00 -2.23 0.00 0.00 178.31 175.91 1h49 n HIS 58 N -3.99 0.00 0.95 0.00 8.25 -0.96 -2.69 115.22 116.78 1h49 n HIS 58 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1h49 n HIS 58 Cb 0.45 -0.10 0.27 0.00 1.12 0.00 0.00 29.99 31.73 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 -1.62 2.57 -2.65 0.41 3.02 -0.42 -4.62 115.26 111.95 1h49 n ASN 59 Ca 0.02 -1.84 -0.03 0.00 -0.03 0.00 0.00 54.58 52.70 1h49 n ASN 59 Cb 0.35 -0.09 0.10 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.96 -0.17 0.11 3.10 1.44 -1.23 -5.01 115.22 114.42 1h49 n HIS 60 Ca 0.17 -0.58 0.07 0.00 -2.01 0.00 0.00 57.72 55.37 1h49 n HIS 60 Cb 0.50 1.09 0.38 0.00 0.12 0.00 0.00 29.99 32.08 1h49 n HIS 60 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1h49 n PRO 61 N 0.89 0.09 0.04 -1.40 -0.04 -1.09 -1.76 135.00 131.73 1h49 n PRO 61 Ca -0.04 0.58 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 1h49 n PRO 61 Cb 0.75 -1.84 0.31 0.00 -0.04 0.00 0.00 33.50 32.68 1h49 n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1h49 n GLU 62 N -1.98 0.05 0.00 0.54 0.00 -1.26 -2.68 120.64 115.30 1h49 n GLU 62 Ca -0.01 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.63 1h49 n GLU 62 Cb 0.06 -1.62 0.04 0.00 0.00 0.00 0.00 31.44 29.93 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 -1.72 1.73 -3.61 3.44 5.12 -0.72 -4.73 116.66 116.16 1h49 n ARG 63 Ca 0.02 -1.42 -0.36 0.00 -1.93 0.00 0.00 57.85 54.15 1h49 n ARG 63 Cb 0.14 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 29.91 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 -2.21 5.32 0.22 0.55 -1.09 -1.09 -4.90 121.20 118.00 1h49 s ILE 64 Ca 0.23 0.48 -0.10 0.00 -2.23 0.00 0.00 60.65 59.02 1h49 s ILE 64 Cb 0.19 -3.58 0.21 0.00 -1.58 0.00 0.00 42.46 37.69 1h49 s ILE 64 CO 0.43 0.45 1.66 0.25 -1.23 0.00 0.00 174.94 176.51 1h49 h LEU 65 N 6.19 -0.27 -3.00 2.97 5.85 -1.36 -1.63 115.31 124.06 1h49 h LEU 65 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1h49 h LEU 65 Cb 1.18 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1h49 h LEU 65 CO 0.71 -0.12 0.00 -0.90 -0.34 0.00 0.00 178.44 177.80 1h49 n ASP 66 N -5.28 4.14 -0.61 1.25 5.75 -1.26 -4.96 116.55 115.57 1h49 n ASP 66 Ca 0.10 -2.29 -0.08 0.00 -0.01 0.00 0.00 54.79 52.50 1h49 n ASP 66 Cb 0.37 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.00 0.98 3.21 6.12 0.00 -0.61 -5.00 105.19 110.90 1h49 n GLY 67 Ca 0.22 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 1h49 n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h49 n SER 68 N 0.71 1.97 -1.89 1.61 3.41 -1.26 -4.94 113.62 113.23 1h49 n SER 68 Ca -0.08 -2.37 -0.06 0.00 -0.26 0.00 0.00 58.87 56.10 1h49 n SER 68 Cb 0.27 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1h49 n SER 68 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1h49 n ASN 69 N -2.26 -0.77 -2.29 4.04 0.23 -1.26 -4.88 115.26 108.07 1h49 n ASN 69 Ca 0.09 -1.83 -0.27 0.00 -0.53 0.00 0.00 54.58 52.04 1h49 n ASN 69 Cb 0.50 1.37 0.02 0.00 -2.08 0.00 0.00 39.78 39.59 1h49 n ASN 69 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1h49 n SER 70 N -1.68 5.16 0.18 0.53 2.88 -1.26 -4.62 113.62 114.81 1h49 n SER 70 Ca -0.01 -3.74 0.04 0.00 -1.33 0.00 0.00 58.87 53.82 1h49 n SER 70 Cb 0.27 -0.47 0.43 0.00 -0.75 0.00 0.00 64.21 63.69 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 2.39 0.08 0.00 -3.46 5.19 -1.93 -3.36 116.42 115.33 1h49 h ASP 71 Ca 0.37 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1h49 h ASP 71 Cb 1.14 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 1h49 h ASP 71 CO 0.89 0.30 -0.57 -0.38 -3.12 0.00 0.00 179.24 176.36 1h49 n ILE 72 N -4.25 1.18 0.00 0.35 5.41 -1.26 -1.95 119.36 118.84 1h49 n ILE 72 Ca -0.02 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1h49 n ILE 72 Cb 0.29 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 2.72 1.58 0.50 7.39 0.00 -1.26 -0.40 105.19 115.72 1h49 n GLY 73 Ca -0.07 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 7.56 2.36 -2.74 4.61 0.00 -0.58 -4.84 120.51 126.88 1h49 n ALA 74 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 1h49 n ALA 74 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 0.54 -5.77 0.19 0.00 4.05 0.46 -4.85 115.26 109.88 1h49 n ASN 75 Ca 0.08 -0.17 0.14 0.00 0.45 0.00 0.00 54.58 55.08 1h49 n ASN 75 Cb 0.33 -4.67 0.50 0.00 1.23 0.00 0.00 39.78 37.17 1h49 n ASN 75 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1h49 h SER 76 N -0.80 0.00 -0.78 1.20 0.02 -0.99 0.16 113.55 112.36 1h49 h SER 76 Ca -0.49 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 1h49 h SER 76 Cb 1.34 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 1h49 h SER 76 CO 0.54 0.00 0.36 0.22 -1.14 0.00 0.00 176.83 176.81 1h49 h TYR 77 N 0.00 1.13 0.00 3.45 3.20 -1.49 -2.20 116.97 121.06 1h49 h TYR 77 Ca 0.00 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 1h49 h TYR 77 Cb 0.56 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1h49 h TYR 77 CO 0.00 0.83 -1.30 0.72 -1.64 0.00 0.00 178.16 176.77 1h49 n HIS 78 N -4.36 0.94 -1.06 -3.82 8.25 -0.83 -4.46 115.22 109.88 1h49 n HIS 78 Ca 0.07 0.30 0.05 0.00 -0.26 0.00 0.00 57.72 57.88 1h49 n HIS 78 Cb 0.14 -1.02 0.27 0.00 1.12 0.00 0.00 29.99 30.50 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 -2.79 3.02 0.08 -0.41 2.81 0.51 -4.70 117.12 115.63 1h49 n MET 79 Ca -0.06 -2.95 0.02 0.00 -1.81 0.00 0.00 57.70 52.90 1h49 n MET 79 Cb 0.73 -1.92 0.36 0.00 -0.71 0.00 0.00 33.22 31.69 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 1.95 0.36 -0.84 2.03 -0.00 -1.62 -1.57 116.97 117.29 1h49 h TYR 80 Ca 0.06 -0.04 0.03 0.00 -0.00 0.00 0.00 58.73 58.78 1h49 h TYR 80 Cb 1.62 -0.10 -0.05 0.00 -0.00 0.00 0.00 36.73 38.20 1h49 h TYR 80 CO 0.71 0.42 0.55 0.87 -0.00 0.00 0.00 178.16 180.71 1h49 h LYS 81 N 0.33 1.04 -0.19 0.10 1.57 -1.88 -1.14 116.57 116.41 1h49 h LYS 81 Ca 0.07 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1h49 h LYS 81 Cb 0.33 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1h49 h LYS 81 CO 0.02 0.69 -0.63 1.79 -0.57 0.00 0.00 179.45 180.74 1h49 h THR 82 N 1.07 1.31 -0.46 -0.16 1.35 -1.67 -0.92 112.91 113.43 1h49 h THR 82 Ca 0.33 -1.87 0.06 0.00 -0.55 0.00 0.00 66.41 64.38 1h49 h THR 82 Cb -0.01 1.83 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1h49 h THR 82 CO -0.09 0.59 0.15 0.44 -0.25 0.00 0.00 175.52 176.36 1h49 h ASP 83 N 0.50 0.14 -0.63 5.36 3.32 -1.15 0.26 116.42 124.22 1h49 h ASP 83 Ca -0.01 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1h49 h ASP 83 Cb 1.21 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1h49 h ASP 83 CO 0.12 0.11 0.05 0.58 -1.72 0.00 0.00 179.24 178.38 1h49 h VAL 84 N 0.32 1.26 -0.85 -1.35 2.07 -1.12 -1.46 116.25 115.12 1h49 h VAL 84 Ca 0.22 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1h49 h VAL 84 Cb 0.23 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1h49 h VAL 84 CO -0.24 0.41 0.54 -0.09 0.02 0.00 0.00 177.57 178.21 1h49 h ARG 85 N 0.98 1.00 -0.36 1.57 2.43 -0.65 -0.52 114.38 118.83 1h49 h ARG 85 Ca 0.18 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1h49 h ARG 85 Cb 0.51 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1h49 h ARG 85 CO 0.02 0.66 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.93 1h49 h LEU 86 N 1.03 0.75 -0.70 3.80 3.38 -0.54 -0.98 115.31 122.06 1h49 h LEU 86 Ca 0.35 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1h49 h LEU 86 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1h49 h LEU 86 CO -0.13 0.97 0.46 -0.07 0.09 0.00 0.00 178.44 179.76 1h49 h LEU 87 N 0.52 0.79 0.12 1.67 3.38 -0.89 -2.13 115.31 118.78 1h49 h LEU 87 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1h49 h LEU 87 Cb 0.68 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1h49 h LEU 87 CO 0.05 0.57 -0.06 0.50 0.09 0.00 0.00 178.44 179.59 1h49 h LYS 88 N 0.94 -0.15 -0.87 1.13 1.63 -0.95 -2.19 116.57 116.11 1h49 h LYS 88 Ca 0.26 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.21 1h49 h LYS 88 Cb -0.10 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.50 1h49 h LYS 88 CO -0.06 0.01 0.56 0.93 -3.45 0.00 0.00 179.45 177.44 1h49 h GLU 89 N -0.28 0.65 -0.00 1.90 5.08 -1.01 -1.13 114.58 119.78 1h49 h GLU 89 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h49 h GLU 89 Cb 0.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1h49 h GLU 89 CO 0.03 0.43 -0.04 -1.33 -1.00 0.00 0.00 179.01 177.10 1h49 n MET 90 N -4.55 0.18 -1.58 2.33 2.81 -0.81 -4.89 117.12 110.62 1h49 n MET 90 Ca 0.17 -0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.98 1h49 n MET 90 Cb 0.46 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.45 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 1.42 0.53 3.75 3.03 0.00 -0.43 -3.89 105.19 109.59 1h49 n GLY 91 Ca 0.10 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1h49 n GLY 91 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h49 s MET 92 N -3.27 4.34 0.34 1.61 -1.94 -0.87 -4.83 119.30 114.68 1h49 s MET 92 Ca 0.00 2.19 0.18 0.00 -1.71 0.00 0.00 55.69 56.34 1h49 s MET 92 Cb 0.00 -3.13 0.48 0.00 2.01 0.00 0.00 34.83 34.19 1h49 s MET 92 CO 0.00 -0.30 1.64 -0.44 -0.01 0.00 0.00 175.02 175.91 1h49 h ASP 93 N 4.76 0.00 -5.06 3.03 5.19 -1.00 -3.44 116.42 119.90 1h49 h ASP 93 Ca -0.46 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.91 1h49 h ASP 93 Cb 1.22 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.61 1h49 h ASP 93 CO 0.75 0.42 0.03 0.00 -3.12 0.00 0.00 179.24 177.32 1h49 s ALA 94 N -3.38 -1.09 -0.05 3.45 0.00 -1.09 -0.68 121.76 118.92 1h49 s ALA 94 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1h49 s ALA 94 Cb 0.10 0.79 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1h49 s ALA 94 CO 0.70 -0.73 -0.01 -0.47 0.00 0.00 0.00 175.76 175.26 1h49 s TYR 95 N -3.81 0.54 -0.31 0.00 5.04 -0.61 -3.00 117.35 115.20 1h49 s TYR 95 Ca 0.05 -0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.46 1h49 s TYR 95 Cb 0.00 -0.61 -0.02 0.00 0.35 0.00 0.00 41.96 41.67 1h49 s TYR 95 CO -0.09 -0.22 0.20 0.50 -1.34 0.00 0.00 175.55 174.60 1h49 s ARG 96 N 1.36 3.58 0.19 4.97 3.52 -0.24 -0.63 118.95 131.70 1h49 s ARG 96 Ca -0.05 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1h49 s ARG 96 Cb -0.13 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1h49 s ARG 96 CO -0.02 -0.36 -0.02 -0.59 -0.81 0.00 0.00 175.30 173.50 1h49 s PHE 97 N 1.70 1.34 0.28 5.12 -0.12 -1.02 -0.85 117.98 124.43 1h49 s PHE 97 Ca 0.06 -0.93 0.09 0.00 -0.05 0.00 0.00 56.93 56.10 1h49 s PHE 97 Cb -0.17 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 1h49 s PHE 97 CO 0.09 -0.09 0.03 -1.54 -0.05 0.00 0.00 175.22 173.66 1h49 s SER 98 N -3.22 4.59 -0.13 1.98 1.04 -1.25 -1.02 113.70 115.69 1h49 s SER 98 Ca 0.24 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.91 1h49 s SER 98 Cb 0.05 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 1h49 s SER 98 CO 0.05 -0.07 0.16 -0.63 0.98 0.00 0.00 173.24 173.73 1h49 s ILE 99 N -2.35 5.45 -0.39 -1.02 1.01 -0.44 -4.31 121.20 119.15 1h49 s ILE 99 Ca 0.33 0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.99 1h49 s ILE 99 Cb -0.05 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1h49 s ILE 99 CO 0.21 0.57 0.86 -0.55 0.00 0.00 0.00 174.94 176.02 1h49 s SER 100 N -0.65 6.57 0.12 3.58 0.15 -1.26 -4.56 113.70 117.66 1h49 s SER 100 Ca 0.14 0.35 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 1h49 s SER 100 Cb -0.12 -2.43 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 1h49 s SER 100 CO 0.03 -0.85 1.63 -0.25 1.20 0.00 0.00 173.24 175.00 1h49 h TRP 101 N 8.63 -0.79 0.00 3.44 2.91 -1.84 -1.42 115.95 126.88 1h49 h TRP 101 Ca -0.24 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.80 1h49 h TRP 101 Cb 1.08 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 30.08 1h49 h TRP 101 CO 0.82 -0.39 -0.01 -1.00 -1.03 0.00 0.00 178.44 176.83 1h49 h PRO 102 N -0.46 0.00 -0.01 2.65 0.13 -1.78 -0.98 132.00 131.55 1h49 h PRO 102 Ca 0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1h49 h PRO 102 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1h49 h PRO 102 CO -0.23 0.01 -0.71 -0.09 -0.23 0.00 0.00 178.00 176.75 1h49 h ARG 103 N 0.00 0.08 0.19 0.86 2.43 -1.53 -2.37 114.38 114.04 1h49 h ARG 103 Ca -0.00 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 1h49 h ARG 103 Cb 0.10 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1h49 h ARG 103 CO 0.00 0.76 -1.66 0.82 -1.51 0.00 0.00 179.97 178.37 1h49 h ILE 104 N 0.05 1.01 -2.60 1.20 1.08 -1.12 -3.35 117.51 113.77 1h49 h ILE 104 Ca -0.01 -2.53 -0.59 0.00 -0.39 0.00 0.00 64.86 61.33 1h49 h ILE 104 Cb 1.26 2.82 -0.39 0.00 -3.07 0.00 0.00 36.82 37.44 1h49 h ILE 104 CO 0.10 0.84 -0.86 -0.76 -0.69 0.00 0.00 178.15 176.77 1h49 s LEU 105 N -7.39 1.78 0.59 1.44 1.43 -0.42 -0.73 118.68 115.38 1h49 s LEU 105 Ca -0.15 -2.79 0.29 0.00 -1.03 0.00 0.00 54.13 50.45 1h49 s LEU 105 Cb 0.05 -0.63 1.66 0.00 0.03 0.00 0.00 46.19 47.30 1h49 s LEU 105 CO 0.86 -0.22 2.10 -0.65 0.23 0.00 0.00 176.35 178.67 1h49 h PRO 106 N 6.23 0.00 -0.33 1.29 0.11 -1.67 0.16 132.00 137.78 1h49 h PRO 106 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1h49 h PRO 106 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1h49 h PRO 106 CO 0.39 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.81 1h49 n LYS 107 N -3.80 2.25 0.00 1.05 5.02 -1.26 -4.37 118.16 117.04 1h49 n LYS 107 Ca 0.02 -2.05 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 1h49 n LYS 107 Cb 0.32 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.10 2.55 3.45 0.72 0.00 0.04 -4.42 105.19 108.63 1h49 n GLY 108 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.54 1.86 0.40 2.61 -4.23 -1.26 -4.83 115.64 107.66 1h49 s THR 109 Ca 0.00 -2.18 0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1h49 s THR 109 Cb 0.00 -2.43 0.21 0.00 1.34 0.00 0.00 72.50 71.61 1h49 s THR 109 CO 0.00 -0.32 1.98 0.50 -0.54 0.00 0.00 174.62 176.24 1h49 h LYS 110 N 2.25 0.37 -0.27 3.99 3.64 -1.94 -2.85 116.57 121.77 1h49 h LYS 110 Ca -0.40 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1h49 h LYS 110 Cb 1.24 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1h49 h LYS 110 CO 0.67 0.37 0.02 1.49 -2.27 0.00 0.00 179.45 179.72 1h49 h GLU 111 N 0.37 0.10 0.00 1.90 4.22 -1.97 -2.90 114.58 116.29 1h49 h GLU 111 Ca 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.52 1h49 h GLU 111 Cb 0.18 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1h49 h GLU 111 CO -0.00 0.07 -0.02 0.78 -2.18 0.00 0.00 179.01 177.66 1h49 h GLY 112 N 0.10 0.00 0.00 1.92 0.00 -1.85 -3.48 103.07 99.75 1h49 h GLY 112 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1h49 h GLY 112 CO -0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.95 1h49 n GLY 113 N -0.32 -1.75 3.75 4.60 0.00 -1.10 -4.79 105.19 105.58 1h49 n GLY 113 Ca -0.01 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.00 5.04 -0.60 -0.61 1.01 -1.26 -4.39 121.20 117.39 1h49 s ILE 114 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 60.65 61.54 1h49 s ILE 114 Cb 0.00 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1h49 s ILE 114 CO 0.00 0.37 0.98 0.21 0.00 0.00 0.00 174.94 176.50 1h49 s ASN 115 N 0.18 6.27 0.54 3.58 2.47 0.09 -4.93 114.94 123.14 1h49 s ASN 115 Ca 0.29 -0.56 0.25 0.00 0.42 0.00 0.00 52.86 53.26 1h49 s ASN 115 Cb -0.17 -2.44 1.41 0.00 -1.45 0.00 0.00 41.25 38.60 1h49 s ASN 115 CO 0.14 -1.35 2.02 -0.65 -3.72 0.00 0.00 177.10 173.54 1h49 h PRO 116 N 9.46 0.00 -0.01 0.43 0.10 -1.92 -1.31 132.00 138.75 1h49 h PRO 116 Ca -0.27 0.00 -0.21 0.00 0.10 0.00 0.00 66.00 65.62 1h49 h PRO 116 Cb 1.07 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.17 1h49 h PRO 116 CO 1.14 0.00 -0.88 -0.44 0.10 0.00 0.00 178.00 177.92 1h49 h ASP 117 N 0.00 0.43 0.08 -2.05 3.45 -1.91 -1.79 116.42 114.63 1h49 h ASP 117 Ca 0.21 -0.33 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 1h49 h ASP 117 Cb 0.87 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1h49 h ASP 117 CO -0.00 1.12 -0.04 1.23 -1.57 0.00 0.00 179.24 179.98 1h49 h GLY 118 N 1.44 -0.11 0.87 2.75 0.00 -1.39 -1.89 103.07 104.74 1h49 h GLY 118 Ca -0.06 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1h49 h GLY 118 CO 0.15 -0.04 0.46 -2.22 0.00 0.00 0.00 176.54 174.88 1h49 h ILE 119 N -0.16 1.10 -0.68 2.60 1.08 -1.41 -2.36 117.51 117.69 1h49 h ILE 119 Ca -0.01 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 1h49 h ILE 119 Cb 0.13 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 1h49 h ILE 119 CO 0.02 0.16 0.25 0.50 -0.69 0.00 0.00 178.15 178.39 1h49 h LYS 120 N 0.90 1.02 0.21 2.37 3.64 -1.26 -0.81 116.57 122.64 1h49 h LYS 120 Ca 0.29 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1h49 h LYS 120 Cb 0.02 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1h49 h LYS 120 CO -0.11 0.87 -0.26 -0.92 -2.27 0.00 0.00 179.45 176.76 1h49 h TYR 121 N 0.97 -0.69 -0.14 1.91 3.20 -0.80 0.76 116.97 122.17 1h49 h TYR 121 Ca 0.22 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.92 1h49 h TYR 121 Cb 0.24 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1h49 h TYR 121 CO 0.02 -0.37 -0.66 1.88 -1.64 0.00 0.00 178.16 177.38 1h49 h TYR 122 N -0.52 0.74 -0.79 -3.82 0.05 -1.40 -0.62 116.97 110.62 1h49 h TYR 122 Ca 0.01 -0.30 0.12 0.00 0.05 0.00 0.00 58.73 58.60 1h49 h TYR 122 Cb 0.50 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 38.03 1h49 h TYR 122 CO -0.19 1.07 0.41 -0.09 -1.05 0.00 0.00 178.16 178.30 1h49 h ARG 123 N 0.41 0.62 -0.10 4.88 9.65 -1.06 0.19 114.38 128.97 1h49 h ARG 123 Ca -0.02 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1h49 h ARG 123 Cb 1.24 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1h49 h ARG 123 CO 0.12 0.41 -0.23 -0.91 2.80 0.00 0.00 179.97 182.17 1h49 h ASN 124 N 0.64 0.38 -0.25 -3.80 2.35 -0.19 -1.97 115.58 112.74 1h49 h ASN 124 Ca 0.41 -0.57 0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1h49 h ASN 124 Cb 0.49 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 1h49 h ASN 124 CO -0.31 0.89 -0.17 0.25 -1.65 0.00 0.00 177.43 176.44 1h49 h LEU 125 N -0.11 -0.55 -0.26 1.61 5.85 -1.00 -1.58 115.31 119.27 1h49 h LEU 125 Ca -0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1h49 h LEU 125 Cb 0.83 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1h49 h LEU 125 CO 0.05 -0.21 0.14 0.40 -0.34 0.00 0.00 178.44 178.48 1h49 h ILE 126 N -0.16 1.12 -0.66 4.05 2.04 -0.58 -1.20 117.51 122.12 1h49 h ILE 126 Ca 0.14 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1h49 h ILE 126 Cb 0.37 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1h49 h ILE 126 CO -0.34 0.12 0.29 0.78 0.00 0.00 0.00 178.15 178.99 1h49 h ASN 127 N 0.31 0.89 -0.66 1.72 2.35 -1.33 -2.04 115.58 116.82 1h49 h ASN 127 Ca 0.09 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1h49 h ASN 127 Cb 0.07 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1h49 h ASN 127 CO -0.01 0.80 0.25 0.25 -1.65 0.00 0.00 177.43 177.06 1h49 h LEU 128 N 0.92 0.94 -0.01 1.61 5.85 -0.98 -0.78 115.31 122.87 1h49 h LEU 128 Ca 0.22 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h49 h LEU 128 Cb 0.16 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1h49 h LEU 128 CO -0.02 0.86 0.00 -0.07 -0.34 0.00 0.00 178.44 178.87 1h49 h LEU 129 N 0.99 0.02 -0.92 2.25 3.38 -0.96 -2.54 115.31 117.53 1h49 h LEU 129 Ca 0.23 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1h49 h LEU 129 Cb 0.23 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1h49 h LEU 129 CO -0.02 0.26 0.17 -0.07 0.09 0.00 0.00 178.44 178.88 1h49 h LEU 130 N -0.23 0.89 -0.84 1.67 3.38 -1.21 -0.02 115.31 118.95 1h49 h LEU 130 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h49 h LEU 130 Cb 0.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h49 h LEU 130 CO 0.00 0.86 0.00 1.05 0.09 0.00 0.00 178.44 180.44 1h49 h GLU 131 N 0.92 0.00 -0.65 1.13 4.11 -1.12 -1.02 114.58 117.95 1h49 h GLU 131 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1h49 h GLU 131 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1h49 h GLU 131 CO -0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 1h49 n ASN 132 N -2.63 4.73 -1.89 3.06 4.13 -0.60 -4.95 115.26 117.12 1h49 n ASN 132 Ca 0.02 -2.66 -0.16 0.00 1.68 0.00 0.00 54.58 53.45 1h49 n ASN 132 Cb 0.31 -0.62 -0.01 0.00 -1.54 0.00 0.00 39.78 37.92 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 0.67 -0.30 3.22 7.41 0.00 -0.39 -4.92 105.19 110.88 1h49 n GLY 133 Ca 0.23 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.83 2.41 -0.20 -0.61 1.01 -0.12 -4.83 121.20 116.03 1h49 s ILE 134 Ca 0.01 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 1h49 s ILE 134 Cb -0.01 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1h49 s ILE 134 CO 0.02 0.53 0.77 -0.70 0.00 0.00 0.00 174.94 175.56 1h49 s GLU 135 N 0.81 4.23 -0.06 2.79 2.56 0.15 -3.04 118.70 126.14 1h49 s GLU 135 Ca -0.06 0.87 -0.30 0.00 0.00 0.00 0.00 54.97 55.48 1h49 s GLU 135 Cb -0.15 -3.60 -0.03 0.00 2.00 0.00 0.00 34.13 32.35 1h49 s GLU 135 CO -0.01 -0.37 1.12 -1.25 -0.56 0.00 0.00 175.26 174.19 1h49 s PRO 136 N 2.32 4.40 -0.35 4.30 0.04 -1.26 -1.57 135.00 142.87 1h49 s PRO 136 Ca 0.34 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1h49 s PRO 136 Cb -0.16 -3.53 0.04 0.00 0.04 0.00 0.00 34.50 30.89 1h49 s PRO 136 CO 0.10 -0.36 0.13 0.71 0.04 0.00 0.00 177.00 177.62 1h49 s TYR 137 N 1.98 3.27 -0.27 0.56 1.51 0.20 -4.25 117.35 120.36 1h49 s TYR 137 Ca 0.53 -1.44 -0.09 0.00 -1.01 0.00 0.00 57.07 55.06 1h49 s TYR 137 Cb -0.22 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 1h49 s TYR 137 CO 0.21 -0.74 0.12 0.08 -1.11 0.00 0.00 175.55 174.11 1h49 s VAL 138 N 1.40 4.71 -0.21 0.71 1.01 -0.50 -2.45 120.40 125.08 1h49 s VAL 138 Ca -0.01 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1h49 s VAL 138 Cb -0.20 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1h49 s VAL 138 CO 0.03 0.28 0.63 -0.89 0.00 0.00 0.00 175.10 175.15 1h49 s THR 139 N 1.67 5.01 0.07 3.92 2.01 -0.18 -0.61 115.64 127.53 1h49 s THR 139 Ca 0.06 1.17 -0.16 0.00 0.31 0.00 0.00 61.69 63.08 1h49 s THR 139 Cb -0.16 -3.94 -0.14 0.00 0.01 0.00 0.00 72.50 68.27 1h49 s THR 139 CO 0.07 0.09 1.31 0.40 -0.69 0.00 0.00 174.62 175.80 1h49 h ILE 140 N 5.24 1.33 -3.30 1.82 2.04 -0.73 -1.17 117.51 122.72 1h49 h ILE 140 Ca -0.30 -1.71 -0.40 0.00 1.00 0.00 0.00 64.86 63.45 1h49 h ILE 140 Cb 1.14 1.93 -0.38 0.00 -0.74 0.00 0.00 36.82 38.77 1h49 h ILE 140 CO 0.77 0.53 -0.75 0.12 0.00 0.00 0.00 178.15 178.82 1h49 s PHE 141 N -3.95 0.40 -0.47 1.37 5.36 -1.05 -4.08 117.98 115.56 1h49 s PHE 141 Ca -0.12 0.01 0.08 0.00 -0.96 0.00 0.00 56.93 55.94 1h49 s PHE 141 Cb 0.07 -0.64 0.31 0.00 -0.34 0.00 0.00 43.02 42.42 1h49 s PHE 141 CO 0.84 -0.25 0.75 1.58 -1.46 0.00 0.00 175.22 176.67 1h49 n HIS 142 N 5.09 1.67 -0.91 10.12 -0.00 -1.26 -3.21 115.22 126.71 1h49 n HIS 142 Ca -0.08 -3.87 0.00 0.00 -0.00 0.00 0.00 57.72 53.78 1h49 n HIS 142 Cb 0.50 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.48 0.00 -3.23 1.57 8.01 -1.26 -4.82 117.44 118.19 1h49 n TRP 143 Ca 0.27 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.03 1h49 n TRP 143 Cb 0.52 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.81 1h49 n TRP 143 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1h49 n ASP 144 N 0.00 5.70 -4.72 -0.99 3.85 -1.26 -4.79 116.55 114.34 1h49 n ASP 144 Ca 0.00 -3.23 -0.41 0.00 -0.71 0.00 0.00 54.79 50.43 1h49 n ASP 144 Cb 0.00 -1.26 -0.04 0.00 -1.35 0.00 0.00 41.12 38.47 1h49 n ASP 144 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1h49 s VAL 145 N -2.02 4.23 0.12 2.12 1.01 -1.26 -4.27 120.40 120.33 1h49 s VAL 145 Ca 0.31 1.75 -0.34 0.00 0.00 0.00 0.00 61.98 63.70 1h49 s VAL 145 Cb -0.02 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 1h49 s VAL 145 CO 0.00 0.22 1.67 -2.65 0.00 0.00 0.00 175.10 174.33 1h49 n PRO 146 N 3.17 2.27 0.26 2.72 -0.02 -1.26 -1.33 135.00 140.80 1h49 n PRO 146 Ca 0.05 0.82 0.08 0.00 -2.02 0.00 0.00 63.50 62.43 1h49 n PRO 146 Cb 0.48 -2.62 0.65 0.00 -0.02 0.00 0.00 33.50 31.98 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 6.80 0.00 -0.77 -0.52 5.75 -1.35 -1.55 115.11 123.47 1h49 h GLN 147 Ca -0.45 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.08 1h49 h GLN 147 Cb 1.25 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.76 1h49 h GLN 147 CO 0.91 0.00 0.51 0.00 -2.65 0.00 0.00 178.83 177.60 1h49 h ALA 148 N 2.00 1.54 -0.03 3.38 0.00 -1.85 -1.62 119.26 122.68 1h49 h ALA 148 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1h49 h ALA 148 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h49 h ALA 148 CO -0.00 0.38 -0.68 -0.07 0.00 0.00 0.00 179.25 178.88 1h49 h LEU 149 N 0.95 0.18 -0.69 0.00 3.38 -1.50 -2.58 115.31 115.05 1h49 h LEU 149 Ca 0.31 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1h49 h LEU 149 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h49 h LEU 149 CO -0.09 0.80 -0.29 -0.33 0.09 0.00 0.00 178.44 178.63 1h49 h GLU 150 N 0.10 0.70 0.03 1.13 4.39 -1.12 -2.51 114.58 117.30 1h49 h GLU 150 Ca -0.01 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 59.14 1h49 h GLU 150 Cb 1.22 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1h49 h GLU 150 CO 0.10 0.91 -1.02 0.93 -1.16 0.00 0.00 179.01 178.76 1h49 h GLU 151 N 0.60 0.41 -0.11 2.33 5.08 -1.37 -1.07 114.58 120.45 1h49 h GLU 151 Ca 0.07 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1h49 h GLU 151 Cb 0.79 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1h49 h GLU 151 CO 0.07 1.15 0.00 -0.22 -1.00 0.00 0.00 179.01 179.01 1h49 h LYS 152 N 0.21 0.19 0.00 2.33 3.64 -1.44 -3.41 116.57 118.09 1h49 h LYS 152 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1h49 h LYS 152 Cb 1.68 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1h49 h LYS 152 CO 0.18 0.43 -0.03 2.48 -2.27 0.00 0.00 179.45 180.24 1h49 n TYR 153 N -4.81 0.00 -0.64 1.91 0.18 -0.99 -5.02 117.16 107.79 1h49 n TYR 153 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1h49 n TYR 153 Cb 0.20 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 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 0.72 7.00 -7.48 0.00 -0.40 -3.54 105.19 101.48 1h49 n GLY 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.48 3.10 0.00 -0.02 0.00 -0.98 -2.48 105.19 102.33 1h49 n GLY 155 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 13.23 0.00 1.56 1.61 3.72 -1.26 -1.91 117.46 134.40 1h49 n PHE 156 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 1h49 n PHE 156 Cb 0.00 -0.48 0.79 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.48 0.00 -4.69 4.37 4.77 -1.04 -3.73 117.00 115.20 1h49 n LEU 157 Ca 0.03 0.18 -0.66 0.00 -0.03 0.00 0.00 56.01 55.53 1h49 n LEU 157 Cb 0.15 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1h49 n LEU 157 CO 0.12 -0.01 1.23 -0.67 -1.33 0.00 0.00 177.39 176.73 1h49 n ASP 158 N -1.18 1.21 0.15 -1.43 4.64 -0.80 -4.85 116.55 114.29 1h49 n ASP 158 Ca 0.17 1.12 0.07 0.00 -1.38 0.00 0.00 54.79 54.76 1h49 n ASP 158 Cb 0.19 -0.90 0.06 0.00 -1.04 0.00 0.00 41.12 39.42 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 5.64 0.00 0.00 -0.67 1.57 -1.91 -3.06 116.57 118.13 1h49 h LYS 159 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1h49 h LYS 159 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1h49 h LYS 159 CO 0.99 0.23 0.00 0.66 -0.57 0.00 0.00 179.45 180.76 1h49 h SER 160 N 0.00 0.00 -5.90 0.86 4.64 -1.96 -3.47 113.55 107.72 1h49 h SER 160 Ca -0.02 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.87 1h49 h SER 160 Cb 1.22 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1h49 h SER 160 CO 0.03 0.00 -0.65 1.41 -0.87 0.00 0.00 176.83 176.75 1h49 n HIS 161 N -2.74 -1.82 0.00 4.77 8.25 -1.16 -4.74 115.22 117.78 1h49 n HIS 161 Ca 0.01 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 1h49 n HIS 161 Cb 0.24 -3.00 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1h49 n HIS 161 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1h49 n LYS 162 N -3.98 0.00 -0.00 -0.41 -0.00 -1.26 -4.81 118.16 107.69 1h49 n LYS 162 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.21 1h49 n LYS 162 Cb 0.52 -0.35 -0.07 0.00 -0.00 0.00 0.00 35.03 35.13 1h49 n LYS 162 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1h49 h SER 163 N 0.00 0.07 -0.38 -5.58 0.02 -1.96 -0.70 113.55 105.02 1h49 h SER 163 Ca 0.00 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1h49 h SER 163 Cb 0.00 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1h49 h SER 163 CO 0.00 0.24 0.13 -0.29 -1.14 0.00 0.00 176.83 175.77 1h49 h ILE 164 N -0.10 1.19 -0.37 3.27 6.09 -1.93 -1.13 117.51 124.54 1h49 h ILE 164 Ca 0.02 -0.65 -0.05 0.00 -1.37 0.00 0.00 64.86 62.81 1h49 h ILE 164 Cb 0.20 0.71 -0.01 0.00 0.47 0.00 0.00 36.82 38.19 1h49 h ILE 164 CO -0.00 0.24 0.05 0.58 -3.07 0.00 0.00 178.15 175.95 1h49 h VAL 165 N 0.64 1.24 -0.45 2.19 2.07 -1.80 0.10 116.25 120.25 1h49 h VAL 165 Ca 0.15 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1h49 h VAL 165 Cb 0.21 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1h49 h VAL 165 CO -0.01 0.29 -0.04 -0.33 0.02 0.00 0.00 177.57 177.50 1h49 h GLU 166 N 0.45 0.82 -0.08 1.57 5.08 -0.96 -1.07 114.58 120.39 1h49 h GLU 166 Ca 0.11 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1h49 h GLU 166 Cb 0.38 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1h49 h GLU 166 CO 0.01 0.90 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.41 1h49 h ASP 167 N 0.66 0.21 -0.52 1.42 3.32 -1.03 -1.22 116.42 119.26 1h49 h ASP 167 Ca 0.12 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.75 1h49 h ASP 167 Cb 0.56 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1h49 h ASP 167 CO 0.03 0.63 0.24 0.22 -1.72 0.00 0.00 179.24 178.65 1h49 h TYR 168 N -0.22 0.44 -0.51 4.55 3.20 -0.85 -1.61 116.97 121.97 1h49 h TYR 168 Ca 0.01 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1h49 h TYR 168 Cb 0.57 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1h49 h TYR 168 CO 0.09 0.19 0.31 1.15 -1.64 0.00 0.00 178.16 178.26 1h49 h THR 169 N 0.46 1.07 -0.66 1.81 2.02 -1.00 -0.73 112.91 115.88 1h49 h THR 169 Ca 0.24 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1h49 h THR 169 Cb 0.19 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1h49 h THR 169 CO -0.19 0.11 0.33 0.22 0.37 0.00 0.00 175.52 176.36 1h49 h TYR 170 N 0.62 0.95 -0.21 3.16 3.20 -0.84 0.17 116.97 124.02 1h49 h TYR 170 Ca 0.20 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.08 1h49 h TYR 170 Cb 0.00 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 1h49 h TYR 170 CO -0.06 0.71 -0.12 0.35 -1.64 0.00 0.00 178.16 177.39 1h49 h PHE 171 N 0.92 -0.30 -0.75 -3.82 3.57 -0.88 -0.04 116.94 115.64 1h49 h PHE 171 Ca 0.23 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1h49 h PHE 171 Cb 0.11 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1h49 h PHE 171 CO 0.00 -0.19 0.39 0.00 -2.23 0.00 0.00 178.31 176.28 1h49 h ALA 172 N 1.05 1.05 -0.60 2.41 0.00 -0.69 -1.56 119.26 120.92 1h49 h ALA 172 Ca 0.12 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1h49 h ALA 172 Cb 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1h49 h ALA 172 CO -0.28 -0.01 0.32 -0.22 0.00 0.00 0.00 179.25 179.06 1h49 h LYS 173 N 0.65 0.59 -0.73 0.00 3.64 0.19 0.43 116.57 121.33 1h49 h LYS 173 Ca 0.37 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1h49 h LYS 173 Cb 0.39 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1h49 h LYS 173 CO -0.27 0.39 0.35 0.28 -2.27 0.00 0.00 179.45 177.93 1h49 h VAL 174 N 0.60 1.24 -0.40 2.00 2.07 -0.37 -0.03 116.25 121.36 1h49 h VAL 174 Ca 0.26 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1h49 h VAL 174 Cb 0.16 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1h49 h VAL 174 CO -0.17 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.80 1h49 h PHE 176 N 0.50 0.51 0.00 0.00 0.04 -0.59 -0.76 116.94 116.64 1h49 h PHE 176 Ca 0.13 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 1h49 h PHE 176 Cb 0.30 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1h49 h PHE 176 CO 0.02 0.63 -0.39 -0.44 -0.60 0.00 0.00 178.31 177.53 1h49 h ASP 177 N 0.43 0.00 0.00 2.17 3.45 -0.70 -1.84 116.42 119.92 1h49 h ASP 177 Ca 0.07 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1h49 h ASP 177 Cb 0.56 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1h49 h ASP 177 CO 0.04 0.39 -1.46 0.59 -1.57 0.00 0.00 179.24 177.22 1h49 n ASN 178 N -3.30 2.75 0.00 6.45 4.13 -0.82 -4.73 115.26 119.74 1h49 n ASN 178 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1h49 n ASN 178 Cb 0.62 1.40 0.00 0.00 -1.54 0.00 0.00 39.78 40.25 1h49 n ASN 178 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1h49 n PHE 179 N -1.88 0.00 0.21 3.10 3.72 -0.30 -4.83 117.46 117.48 1h49 n PHE 179 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1h49 n PHE 179 Cb 0.30 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.21 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 1.21 1.37 0.00 -1.39 0.18 103.07 104.44 1h49 h GLY 180 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1h49 h GLY 180 CO 0.00 0.00 0.43 1.29 0.00 0.00 0.00 176.54 178.26 1h49 h ASP 181 N 0.00 0.63 0.00 0.19 2.03 -1.88 -3.32 116.42 114.06 1h49 h ASP 181 Ca -0.00 -0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1h49 h ASP 181 Cb 0.86 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.18 1h49 h ASP 181 CO 0.03 0.43 -1.93 0.29 -1.03 0.00 0.00 179.24 177.03 1h49 n LYS 182 N -4.47 1.55 -3.11 4.15 4.76 -0.74 -4.94 118.16 115.36 1h49 n LYS 182 Ca 0.08 -0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 1h49 n LYS 182 Cb 0.17 -1.36 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 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 -2.43 5.01 -1.43 -0.18 1.01 0.55 -4.91 120.40 118.02 1h49 s VAL 183 Ca -0.07 1.16 0.12 0.00 0.00 0.00 0.00 61.98 63.20 1h49 s VAL 183 Cb 0.05 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.56 1h49 s VAL 183 CO 0.58 0.08 0.84 0.29 0.00 0.00 0.00 175.10 176.89 1h49 n LYS 184 N 5.31 1.05 -3.56 2.72 5.02 -1.26 -4.63 118.16 122.81 1h49 n LYS 184 Ca -0.01 -1.09 -0.26 0.00 -2.02 0.00 0.00 58.31 54.93 1h49 n LYS 184 Cb 0.49 -1.21 -0.16 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.16 2.56 -0.03 4.39 0.01 -1.26 -0.74 114.94 118.71 1h49 s ASN 185 Ca 0.13 -0.78 0.05 0.00 -0.71 0.00 0.00 52.86 51.56 1h49 s ASN 185 Cb 0.10 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 1h49 s ASN 185 CO 0.19 -0.38 -0.18 0.26 -1.51 0.00 0.00 177.10 175.48 1h49 s TRP 186 N 2.16 2.57 -0.11 2.20 0.52 -0.61 -1.41 118.94 124.26 1h49 s TRP 186 Ca 0.05 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.92 1h49 s TRP 186 Cb -0.16 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1h49 s TRP 186 CO -0.19 0.13 -0.12 -0.51 0.02 0.00 0.00 176.95 176.27 1h49 s LEU 187 N -0.77 1.54 0.08 2.99 1.43 0.22 -1.24 118.68 122.94 1h49 s LEU 187 Ca 0.11 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1h49 s LEU 187 Cb -0.10 -1.00 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 1h49 s LEU 187 CO 0.01 -0.04 1.43 0.71 0.23 0.00 0.00 176.35 178.69 1h49 h THR 188 N 6.05 1.31 -3.96 5.49 1.35 -1.41 0.20 112.91 121.94 1h49 h THR 188 Ca -0.32 -1.24 -0.21 0.00 -0.55 0.00 0.00 66.41 64.09 1h49 h THR 188 Cb 1.15 1.60 -0.17 0.00 -1.73 0.00 0.00 68.15 69.00 1h49 h THR 188 CO 0.47 0.38 -0.70 -0.36 -0.25 0.00 0.00 175.52 175.06 1h49 s PHE 189 N -4.53 0.68 -0.04 4.73 0.40 -1.26 -2.54 117.98 115.41 1h49 s PHE 189 Ca -0.13 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.43 1h49 s PHE 189 Cb 0.07 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.20 1h49 s PHE 189 CO 0.78 -0.18 -0.05 1.21 0.70 0.00 0.00 175.22 177.68 1h49 s ASN 190 N -2.40 1.00 -1.18 1.36 2.47 -1.20 -1.59 114.94 113.40 1h49 s ASN 190 Ca 0.01 -0.15 -0.02 0.00 0.42 0.00 0.00 52.86 53.13 1h49 s ASN 190 Cb -0.00 -0.47 0.00 0.00 -1.45 0.00 0.00 41.25 39.32 1h49 s ASN 190 CO -0.04 -0.04 0.99 0.47 -3.72 0.00 0.00 177.10 174.77 1h49 n ASP 191 N 3.95 -2.92 -0.27 -4.21 9.92 -0.47 -4.83 116.55 117.72 1h49 n ASP 191 Ca -0.25 -0.58 -0.00 0.00 -0.53 0.00 0.00 54.79 53.43 1h49 n ASP 191 Cb 0.51 -4.90 0.20 0.00 -0.64 0.00 0.00 41.12 36.29 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 -1.98 1.10 -0.41 -0.24 0.13 -1.91 -0.97 132.00 127.71 1h49 h PRO 192 Ca -0.56 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.37 1h49 h PRO 192 Cb 1.33 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1h49 h PRO 192 CO 0.49 0.73 -0.25 0.37 -0.23 0.00 0.00 178.00 179.11 1h49 h GLN 193 N 1.13 0.85 -0.17 0.86 -0.00 -1.89 -1.76 115.11 114.14 1h49 h GLN 193 Ca 0.30 -0.37 -0.10 0.00 -0.00 0.00 0.00 58.65 58.48 1h49 h GLN 193 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.33 1h49 h GLN 193 CO -0.06 1.01 -0.30 1.15 0.00 0.00 0.00 178.83 180.62 1h49 h THR 194 N 0.73 1.35 0.04 2.39 2.02 -1.83 -0.98 112.91 116.64 1h49 h THR 194 Ca 0.09 -1.54 0.02 0.00 0.77 0.00 0.00 66.41 65.76 1h49 h THR 194 Cb 0.79 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1h49 h THR 194 CO 0.07 0.46 -0.23 0.15 0.37 0.00 0.00 175.52 176.34 1h49 h PHE 195 N 0.14 -0.62 -0.17 3.16 3.57 -1.10 -0.20 116.94 121.72 1h49 h PHE 195 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1h49 h PHE 195 Cb 0.89 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1h49 h PHE 195 CO 0.09 -0.33 0.02 1.79 -2.23 0.00 0.00 178.31 177.65 1h49 h THR 196 N -0.39 1.24 -0.02 4.41 1.35 -1.36 -1.62 112.91 116.52 1h49 h THR 196 Ca 0.05 -0.78 -0.15 0.00 -0.55 0.00 0.00 66.41 64.98 1h49 h THR 196 Cb 0.45 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1h49 h THR 196 CO -0.18 0.23 -0.68 0.28 -0.25 0.00 0.00 175.52 174.92 1h49 h SER 197 N 0.07 0.11 0.27 5.36 0.02 -1.12 -2.25 113.55 116.00 1h49 h SER 197 Ca 0.05 -0.07 -0.33 0.00 -0.84 0.00 0.00 61.79 60.60 1h49 h SER 197 Cb 0.34 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 1h49 h SER 197 CO 0.01 0.76 -2.02 0.52 -1.14 0.00 0.00 176.83 174.96 1h49 n VAL 198 N -3.76 1.52 0.06 2.27 0.31 -0.09 -1.26 118.33 117.37 1h49 n VAL 198 Ca -0.02 -0.82 -0.11 0.00 -0.01 0.00 0.00 64.34 63.39 1h49 n VAL 198 Cb 0.67 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.16 0.00 4.52 0.02 -1.36 -0.08 113.55 116.81 1h49 h SER 199 Ca -0.40 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1h49 h SER 199 Cb 2.11 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1h49 h SER 199 CO 0.06 1.16 0.00 -1.22 -1.14 0.00 0.00 176.83 175.68 1h49 n TYR 200 N -3.36 0.00 0.00 3.45 4.01 -0.85 -2.00 117.16 118.41 1h49 n TYR 200 Ca -0.07 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1h49 n TYR 200 Cb 0.99 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.09 -0.09 0.23 2.72 0.00 -0.97 -4.11 105.19 102.88 1h49 n GLY 201 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.03 -2.60 2.61 1.35 -1.33 -3.41 112.91 109.55 1h49 h THR 202 Ca 0.00 -0.96 -0.38 0.00 -0.55 0.00 0.00 66.41 64.51 1h49 h THR 202 Cb 0.00 1.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.30 1h49 h THR 202 CO 0.00 0.02 -0.45 0.61 -0.25 0.00 0.00 175.52 175.44 1h49 n GLY 203 N 0.94 0.15 0.20 5.82 0.00 -0.41 -4.73 105.19 107.16 1h49 n GLY 203 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -2.48 1.61 -1.51 -1.36 -3.38 116.25 109.13 1h49 h VAL 204 Ca -0.43 -0.82 -0.54 0.00 -1.23 0.00 0.00 66.70 63.68 1h49 h VAL 204 Cb 1.31 1.81 -0.06 0.00 -2.13 0.00 0.00 31.29 32.22 1h49 h VAL 204 CO 0.54 0.00 -0.54 -0.36 -1.23 0.00 0.00 177.57 175.99 1h49 s PHE 205 N -3.25 3.17 0.40 5.19 0.08 -0.99 -4.73 117.98 117.86 1h49 s PHE 205 Ca 0.07 -0.04 -0.26 0.00 0.12 0.00 0.00 56.93 56.81 1h49 s PHE 205 Cb 0.07 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.93 1h49 s PHE 205 CO 0.63 0.52 1.33 0.00 -0.10 0.00 0.00 175.22 177.60 1h49 n ALA 206 N -0.72 1.55 1.80 5.36 0.00 -1.26 0.48 120.51 127.73 1h49 n ALA 206 Ca -0.08 0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1h49 n ALA 206 Cb 0.56 -2.30 0.21 0.00 0.00 0.00 0.00 19.45 17.91 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 0.20 1.15 -2.11 0.00 -0.04 -1.26 -4.73 135.00 128.22 1h49 n PRO 207 Ca 0.05 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1h49 n PRO 207 Cb 0.39 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.70 0.64 3.69 0.55 0.00 0.18 -4.67 105.19 106.27 1h49 n GLY 208 Ca 0.07 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.20 2.82 0.29 1.61 0.52 -0.85 -0.69 118.95 118.46 1h49 s ARG 209 Ca 0.00 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.43 1h49 s ARG 209 Cb 0.00 -2.69 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1h49 s ARG 209 CO 0.00 0.63 0.71 0.00 0.02 0.00 0.00 175.30 176.66 1h49 s SER 211 N -2.95 4.41 0.21 0.00 0.01 -1.26 -1.73 113.70 112.40 1h49 s SER 211 Ca 0.13 2.55 -0.32 0.00 1.31 0.00 0.00 55.95 59.62 1h49 s SER 211 Cb -0.05 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.43 1h49 s SER 211 CO 0.08 -2.13 1.39 -2.65 0.41 0.00 0.00 173.24 170.34 1h49 n PRO 212 N -2.20 1.88 0.00 12.44 -0.02 -1.13 -2.80 135.00 143.17 1h49 n PRO 212 Ca 0.15 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1h49 n PRO 212 Cb 0.49 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.30 2.71 3.84 -1.23 0.00 -1.26 -5.07 105.19 106.47 1h49 n GLY 213 Ca 0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 2.93 -0.78 0.99 1.43 -1.12 -4.98 118.68 117.15 1h49 s LEU 214 Ca 0.00 1.37 -0.20 0.00 -1.03 0.00 0.00 54.13 54.27 1h49 s LEU 214 Cb 0.00 -4.18 0.11 0.00 0.03 0.00 0.00 46.19 42.14 1h49 s LEU 214 CO 0.00 -1.48 1.00 -0.62 0.23 0.00 0.00 176.35 175.48 1h49 s ASP 215 N -4.03 6.40 0.34 2.29 2.15 -1.26 -4.82 116.67 117.75 1h49 s ASP 215 Ca 0.58 -1.60 -0.14 0.00 0.43 0.00 0.00 52.55 51.82 1h49 s ASP 215 Cb -0.13 -2.39 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1h49 s ASP 215 CO 0.54 -1.20 0.69 0.00 -0.17 0.00 0.00 175.17 175.03 1h49 h ALA 217 N 2.04 0.07 -3.17 0.00 0.00 -1.78 -3.36 119.26 113.06 1h49 h ALA 217 Ca -0.28 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 53.87 1h49 h ALA 217 Cb 1.25 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.60 1h49 h ALA 217 CO 0.36 -0.29 -0.58 0.71 0.00 0.00 0.00 179.25 179.45 1h49 s TYR 218 N -5.21 3.47 -0.29 0.00 1.51 0.14 -4.98 117.35 111.98 1h49 s TYR 218 Ca -0.14 -3.29 -0.06 0.00 -1.01 0.00 0.00 57.07 52.57 1h49 s TYR 218 Cb 0.05 -2.75 -0.19 0.00 -0.11 0.00 0.00 41.96 38.95 1h49 s TYR 218 CO 0.68 -0.61 3.39 -0.35 -1.11 0.00 0.00 175.55 177.56 1h49 n PRO 219 N 2.31 2.33 -0.13 -1.71 -0.04 -1.26 -2.49 135.00 134.02 1h49 n PRO 219 Ca 0.15 -1.41 0.08 0.00 -0.04 0.00 0.00 63.50 62.28 1h49 n PRO 219 Cb 0.34 -2.13 0.11 0.00 -0.04 0.00 0.00 33.50 31.78 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 2.35 1.54 -0.36 0.52 -2.24 -1.17 -2.86 114.28 112.06 1h49 n THR 220 Ca 0.49 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1h49 n THR 220 Cb 0.77 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.16 2.00 3.10 3.38 0.00 -0.71 -4.94 105.19 106.87 1h49 n GLY 221 Ca 0.12 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.94 -1.12 0.19 1.61 3.84 -1.26 -4.21 114.94 113.05 1h49 s ASN 222 Ca 0.00 0.55 0.23 0.00 0.21 0.00 0.00 52.86 53.85 1h49 s ASN 222 Cb 0.00 1.93 0.90 0.00 -0.55 0.00 0.00 41.25 43.54 1h49 s ASN 222 CO 0.00 -0.28 1.70 -1.20 -2.79 0.00 0.00 177.10 174.53 1h49 n SER 223 N 5.41 0.55 -0.00 -4.21 7.64 -1.26 -0.08 113.62 121.67 1h49 n SER 223 Ca 0.00 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.60 1h49 n SER 223 Cb 0.51 -0.73 0.09 0.00 -1.01 0.00 0.00 64.21 63.07 1h49 n SER 223 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h49 n LEU 224 N -2.07 0.72 0.05 -3.43 4.32 -1.26 -1.67 117.00 113.65 1h49 n LEU 224 Ca 0.03 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1h49 n LEU 224 Cb 0.28 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1h49 n LEU 224 CO 0.22 0.18 -0.14 0.52 -1.22 0.00 0.00 177.39 176.95 1h49 n VAL 225 N -1.50 0.69 -0.34 4.08 0.31 -0.79 -4.81 118.33 115.96 1h49 n VAL 225 Ca 0.05 0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.73 1h49 n VAL 225 Cb 0.33 -1.38 0.31 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.72 -1.00 5.55 5.08 -0.77 0.20 114.58 124.35 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 0.27 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 1h49 h GLU 226 CO 0.00 0.47 0.65 -1.35 -1.00 0.00 0.00 179.01 177.78 1h49 h PRO 227 N 0.74 1.12 -0.17 2.33 0.11 -1.75 -0.41 132.00 133.97 1h49 h PRO 227 Ca 0.57 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.43 1h49 h PRO 227 Cb 0.87 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1h49 h PRO 227 CO -0.39 0.74 -0.62 1.88 -0.21 0.00 0.00 178.00 179.41 1h49 h TYR 228 N 1.15 0.76 -0.00 0.65 0.05 -1.31 -0.19 116.97 118.08 1h49 h TYR 228 Ca 0.44 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1h49 h TYR 228 Cb 0.21 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1h49 h TYR 228 CO -0.00 1.06 0.00 1.15 -1.05 0.00 0.00 178.16 179.31 1h49 h THR 229 N 0.44 1.01 -0.53 -2.88 2.02 -0.84 -0.16 112.91 111.97 1h49 h THR 229 Ca -0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1h49 h THR 229 Cb 1.19 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1h49 h THR 229 CO 0.12 0.01 0.26 0.00 0.37 0.00 0.00 175.52 176.28 1h49 h ALA 230 N 0.98 0.68 -0.85 6.16 0.00 -1.07 -2.24 119.26 122.93 1h49 h ALA 230 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1h49 h ALA 230 Cb 0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1h49 h ALA 230 CO -0.00 0.24 0.53 0.78 0.00 0.00 0.00 179.25 180.80 1h49 h GLY 231 N 0.71 1.26 2.00 0.00 0.00 -0.84 -0.34 103.07 105.87 1h49 h GLY 231 Ca 0.18 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1h49 h GLY 231 CO -0.02 0.30 -0.69 1.12 0.00 0.00 0.00 176.54 177.24 1h49 h HIS 232 N 1.00 0.00 -0.52 5.60 2.07 -0.79 -2.01 115.15 120.51 1h49 h HIS 232 Ca 0.36 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.77 1h49 h HIS 232 Cb 0.10 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.06 1h49 h HIS 232 CO -0.03 0.69 -0.08 -0.91 -3.07 0.00 0.00 177.93 174.53 1h49 h ASN 233 N 0.00 0.93 -0.40 3.10 2.35 -0.86 0.11 115.58 120.81 1h49 h ASN 233 Ca -0.01 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.49 1h49 h ASN 233 Cb 1.40 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1h49 h ASN 233 CO 0.09 1.03 0.19 0.40 -1.65 0.00 0.00 177.43 177.49 1h49 h ILE 234 N 0.85 0.96 -0.45 2.81 2.04 -0.84 -0.13 117.51 122.76 1h49 h ILE 234 Ca 0.14 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 1h49 h ILE 234 Cb 0.61 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1h49 h ILE 234 CO 0.04 0.07 -0.14 -0.07 0.00 0.00 0.00 178.15 178.05 1h49 h LEU 235 N 0.39 0.89 -0.89 1.44 3.38 -0.96 0.58 115.31 120.14 1h49 h LEU 235 Ca 0.17 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1h49 h LEU 235 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1h49 h LEU 235 CO -0.13 1.06 0.15 -0.07 0.09 0.00 0.00 178.44 179.55 1h49 h LEU 236 N 0.72 0.91 -0.31 1.67 3.38 -0.79 -1.65 115.31 119.24 1h49 h LEU 236 Ca 0.11 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1h49 h LEU 236 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1h49 h LEU 236 CO 0.05 0.88 -0.05 0.00 0.09 0.00 0.00 178.44 179.41 1h49 h ALA 237 N 1.24 0.42 -0.57 1.53 0.00 -0.72 -2.38 119.26 118.78 1h49 h ALA 237 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1h49 h ALA 237 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1h49 h ALA 237 CO -0.00 0.22 0.11 1.12 0.00 0.00 0.00 179.25 180.70 1h49 h HIS 238 N 0.35 0.94 -0.39 0.00 2.07 -0.73 -2.39 115.15 115.00 1h49 h HIS 238 Ca 0.08 -0.11 -0.08 0.00 -2.85 0.00 0.00 60.37 57.42 1h49 h HIS 238 Cb 0.53 -0.27 -0.02 0.00 2.57 0.00 0.00 27.41 30.22 1h49 h HIS 238 CO 0.05 0.80 -0.08 0.00 -3.07 0.00 0.00 177.93 175.63 1h49 h ALA 239 N 1.25 1.12 -0.27 6.11 0.00 -1.12 -1.50 119.26 124.85 1h49 h ALA 239 Ca 0.18 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1h49 h ALA 239 Cb 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h49 h ALA 239 CO 0.01 0.55 -0.50 0.93 0.00 0.00 0.00 179.25 180.24 1h49 h GLU 240 N 0.62 0.75 -0.31 0.00 4.39 -1.25 -1.83 114.58 116.95 1h49 h GLU 240 Ca 0.11 -0.44 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 1h49 h GLU 240 Cb 0.51 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1h49 h GLU 240 CO 0.03 1.07 -0.38 0.00 -1.16 0.00 0.00 179.01 178.57 1h49 h ALA 241 N 0.85 0.46 -0.33 3.43 0.00 -1.22 -0.45 119.26 122.01 1h49 h ALA 241 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1h49 h ALA 241 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1h49 h ALA 241 CO 0.10 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.91 1h49 h VAL 242 N 0.57 1.28 -0.08 0.00 2.07 -1.33 0.96 116.25 119.72 1h49 h VAL 242 Ca 0.04 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1h49 h VAL 242 Cb 0.97 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1h49 h VAL 242 CO 0.09 0.45 0.05 -0.78 0.02 0.00 0.00 177.57 177.40 1h49 h ASP 243 N 0.58 0.10 -0.13 0.57 1.82 -1.12 0.05 116.42 118.30 1h49 h ASP 243 Ca 0.07 -0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.72 1h49 h ASP 243 Cb 0.76 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.70 1h49 h ASP 243 CO 0.06 0.10 -0.17 0.25 -1.61 0.00 0.00 179.24 177.87 1h49 h LEU 244 N 0.09 -0.53 -0.69 2.28 5.85 -0.87 -2.67 115.31 118.76 1h49 h LEU 244 Ca 0.03 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1h49 h LEU 244 Cb 0.02 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1h49 h LEU 244 CO -0.01 -0.22 0.40 0.22 -0.34 0.00 0.00 178.44 178.49 1h49 h TYR 245 N -0.22 0.73 -0.00 1.25 3.20 -0.52 -2.51 116.97 118.89 1h49 h TYR 245 Ca 0.10 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1h49 h TYR 245 Cb 0.36 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1h49 h TYR 245 CO -0.28 0.36 -0.51 -0.91 -1.64 0.00 0.00 178.16 175.17 1h49 h ASN 246 N 0.73 0.01 -0.06 -2.11 -0.26 -0.83 0.17 115.58 113.23 1h49 h ASN 246 Ca 0.31 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.93 1h49 h ASN 246 Cb 0.17 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1h49 h ASN 246 CO -0.18 0.52 -0.40 0.11 -1.06 0.00 0.00 177.43 176.43 1h49 h LYS 247 N 0.01 0.38 0.00 0.81 1.57 -1.11 -3.41 116.57 114.82 1h49 h LYS 247 Ca -0.00 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1h49 h LYS 247 Cb 0.91 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1h49 h LYS 247 CO 0.07 0.97 -1.15 0.72 -0.57 0.00 0.00 179.45 179.49 1h49 n HIS 248 N -4.36 0.00 -0.00 -1.35 8.25 -1.05 -4.90 115.22 111.81 1h49 n HIS 248 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1h49 n HIS 248 Cb 0.55 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 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 -2.00 0.00 -2.11 4.41 4.01 -0.09 -5.00 117.16 116.38 1h49 n TYR 249 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1h49 n TYR 249 Cb 0.49 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.36 4.31 0.39 -0.72 2.47 0.41 -5.00 119.74 119.23 1h49 s LYS 250 Ca -0.02 2.17 0.08 0.00 -1.56 0.00 0.00 55.97 56.64 1h49 s LYS 250 Cb 0.03 -3.19 -0.07 0.00 -1.46 0.00 0.00 37.83 33.14 1h49 s LYS 250 CO 0.22 -0.42 0.01 1.03 0.16 0.00 0.00 175.35 176.35 1h49 s ARG 251 N 0.51 1.98 0.52 4.03 0.52 -1.26 -5.02 118.95 120.23 1h49 s ARG 251 Ca 0.63 -1.99 0.22 0.00 -0.52 0.00 0.00 55.73 54.06 1h49 s ARG 251 Cb -0.39 -1.74 1.34 0.00 0.52 0.00 0.00 34.95 34.69 1h49 s ARG 251 CO 0.35 0.01 2.05 -0.44 0.02 0.00 0.00 175.30 177.28 1h49 h ASP 252 N 1.79 0.01 -0.47 0.23 3.45 -2.03 -2.65 116.42 116.75 1h49 h ASP 252 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1h49 h ASP 252 Cb 1.25 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1h49 h ASP 252 CO 0.75 0.01 0.00 -0.90 -1.57 0.00 0.00 179.24 177.53 1h49 n ASP 253 N -4.43 3.29 -4.67 6.45 5.75 -1.26 -4.97 116.55 116.71 1h49 n ASP 253 Ca 0.06 -1.97 -0.24 0.00 -0.01 0.00 0.00 54.79 52.63 1h49 n ASP 253 Cb 0.43 -0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 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 -1.04 3.62 -0.01 2.12 -4.23 -1.00 -4.93 115.64 110.18 1h49 s THR 254 Ca 0.33 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1h49 s THR 254 Cb 0.18 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1h49 s THR 254 CO 0.23 -0.29 0.15 -0.13 -0.54 0.00 0.00 174.62 174.04 1h49 s ARG 255 N -3.46 0.46 0.02 3.99 0.52 0.08 -4.64 118.95 115.92 1h49 s ARG 255 Ca 0.30 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1h49 s ARG 255 Cb -0.07 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 1h49 s ARG 255 CO 0.20 -0.11 -0.04 -1.50 0.02 0.00 0.00 175.30 173.87 1h49 s ILE 256 N -1.23 0.27 0.00 1.52 2.07 -1.26 -1.58 121.20 121.00 1h49 s ILE 256 Ca -0.13 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1h49 s ILE 256 Cb -0.07 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.17 1h49 s ILE 256 CO 0.02 -0.34 0.00 0.61 -1.91 0.00 0.00 174.94 173.31 1h49 n GLY 257 N 1.86 2.13 3.43 1.50 0.00 -0.37 -0.38 105.19 113.36 1h49 n GLY 257 Ca -0.21 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 0.68 -0.13 0.99 2.34 -1.26 -1.11 118.68 120.19 1h49 s LEU 258 Ca 0.00 -0.99 0.02 0.00 0.06 0.00 0.00 54.13 53.22 1h49 s LEU 258 Cb 0.00 1.32 0.01 0.00 -0.56 0.00 0.00 46.19 46.96 1h49 s LEU 258 CO 0.00 -1.00 -0.20 0.00 -1.06 0.00 0.00 176.35 174.09 1h49 s ALA 259 N -4.03 2.09 -0.15 1.48 0.00 -0.62 -0.70 121.76 119.83 1h49 s ALA 259 Ca 0.24 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1h49 s ALA 259 Cb 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1h49 s ALA 259 CO 0.07 -0.07 0.09 -0.06 0.00 0.00 0.00 175.76 175.79 1h49 s PHE 260 N 0.90 3.39 0.16 0.00 0.40 -0.26 -1.37 117.98 121.20 1h49 s PHE 260 Ca -0.06 0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 56.27 1h49 s PHE 260 Cb -0.15 -2.01 -0.07 0.00 0.51 0.00 0.00 43.02 41.30 1h49 s PHE 260 CO -0.03 0.42 0.94 0.16 0.70 0.00 0.00 175.22 177.42 1h49 s ASP 261 N -0.27 7.54 -0.12 1.36 1.47 -1.26 -0.53 116.67 124.86 1h49 s ASP 261 Ca 0.10 1.84 -0.06 0.00 1.18 0.00 0.00 52.55 55.60 1h49 s ASP 261 Cb -0.12 -2.59 0.05 0.00 -0.34 0.00 0.00 42.92 39.92 1h49 s ASP 261 CO 0.01 0.03 0.29 0.54 0.68 0.00 0.00 175.17 176.73 1h49 s VAL 262 N -0.50 -0.04 -0.18 2.11 0.11 -0.79 -4.64 120.40 116.48 1h49 s VAL 262 Ca 0.44 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 59.47 1h49 s VAL 262 Cb -0.24 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1h49 s VAL 262 CO 0.30 0.05 0.34 -0.32 -3.33 0.00 0.00 175.10 172.15 1h49 s MET 263 N 1.28 4.22 0.69 1.54 1.75 -1.26 -4.36 119.30 123.16 1h49 s MET 263 Ca -0.09 0.14 -0.17 0.00 -1.25 0.00 0.00 55.69 54.32 1h49 s MET 263 Cb -0.10 -3.48 0.01 0.00 2.84 0.00 0.00 34.83 34.10 1h49 s MET 263 CO -0.10 0.10 1.23 0.41 -0.65 0.00 0.00 175.02 176.02 1h49 n GLY 264 N 3.67 0.29 3.10 2.11 0.00 -0.80 -4.82 105.19 108.74 1h49 n GLY 264 Ca -0.10 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.50 1.82 0.01 1.61 1.81 -1.26 -0.91 118.95 118.53 1h49 s ARG 265 Ca 0.80 -0.55 0.04 0.00 -1.72 0.00 0.00 55.73 54.30 1h49 s ARG 265 Cb -0.36 -1.53 -0.01 0.00 -0.45 0.00 0.00 34.95 32.60 1h49 s ARG 265 CO 0.44 0.15 -0.12 0.08 -0.68 0.00 0.00 175.30 175.17 1h49 s VAL 266 N 0.29 0.95 0.25 3.52 1.01 -0.64 -4.97 120.40 120.81 1h49 s VAL 266 Ca -0.09 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1h49 s VAL 266 Cb -0.13 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.32 1h49 s VAL 266 CO 0.03 0.17 1.59 -2.84 0.00 0.00 0.00 175.10 174.06 1h49 s PRO 267 N -0.54 4.16 0.07 2.72 0.02 -1.26 -0.24 135.00 139.93 1h49 s PRO 267 Ca 0.03 2.52 -0.24 0.00 0.02 0.00 0.00 61.00 63.33 1h49 s PRO 267 Cb -0.05 -3.06 -0.16 0.00 0.02 0.00 0.00 34.50 31.24 1h49 s PRO 267 CO 0.00 -0.62 1.67 -0.92 -0.33 0.00 0.00 177.00 176.80 1h49 h TYR 268 N 5.52 -0.01 -2.73 6.54 3.20 -1.57 -3.44 116.97 124.48 1h49 h TYR 268 Ca -0.45 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1h49 h TYR 268 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1h49 h TYR 268 CO 0.61 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 177.60 1h49 n GLY 269 N -0.90 5.96 0.07 1.82 0.00 -1.26 -4.34 105.19 106.54 1h49 n GLY 269 Ca -0.07 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.16 1h49 n GLY 269 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h49 h THR 270 N 0.37 0.00 -4.00 2.61 1.35 -2.01 -3.46 112.91 107.77 1h49 h THR 270 Ca 0.00 -0.60 -0.55 0.00 -0.55 0.00 0.00 66.41 64.71 1h49 h THR 270 Cb 0.00 1.11 0.14 0.00 -1.73 0.00 0.00 68.15 67.67 1h49 h THR 270 CO 0.00 0.00 0.62 -0.24 -0.25 0.00 0.00 175.52 175.65 1h49 n SER 271 N -2.21 2.83 0.29 5.36 2.88 -1.26 -4.89 113.62 116.63 1h49 n SER 271 Ca 0.02 1.01 0.15 0.00 -1.33 0.00 0.00 58.87 58.73 1h49 n SER 271 Cb 0.46 -1.58 0.90 0.00 -0.75 0.00 0.00 64.21 63.24 1h49 n SER 271 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1h49 h PHE 272 N 1.65 0.00 -0.89 0.66 -0.00 -2.01 -2.39 116.94 113.96 1h49 h PHE 272 Ca -0.51 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.47 1h49 h PHE 272 Cb 1.30 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.20 1h49 h PHE 272 CO 0.46 0.03 0.58 -0.07 -0.00 0.00 0.00 178.31 179.31 1h49 h LEU 273 N 0.00 1.03 -0.40 2.10 3.38 -1.98 -1.69 115.31 117.75 1h49 h LEU 273 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1h49 h LEU 273 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1h49 h LEU 273 CO 0.00 0.76 -0.30 0.44 0.09 0.00 0.00 178.44 179.43 1h49 h ASP 274 N 1.21 0.00 -0.39 -0.43 3.32 -1.74 -0.65 116.42 117.75 1h49 h ASP 274 Ca 0.33 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 1h49 h ASP 274 Cb -0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1h49 h ASP 274 CO -0.07 0.30 -0.28 0.50 -1.72 0.00 0.00 179.24 177.98 1h49 h LYS 275 N 0.00 0.88 -0.79 3.56 1.63 -1.40 -0.71 116.57 119.74 1h49 h LYS 275 Ca -0.00 -0.42 -0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1h49 h LYS 275 Cb 1.08 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 1h49 h LYS 275 CO 0.04 1.07 0.49 1.96 -3.45 0.00 0.00 179.45 179.56 1h49 h GLN 276 N 0.69 1.06 -0.63 1.90 4.20 -1.00 -1.63 115.11 119.69 1h49 h GLN 276 Ca 0.08 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1h49 h GLN 276 Cb 0.85 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1h49 h GLN 276 CO 0.07 0.73 0.07 0.00 -0.67 0.00 0.00 178.83 179.04 1h49 h ALA 277 N 1.27 0.93 -0.27 3.87 0.00 -1.03 -1.42 119.26 122.60 1h49 h ALA 277 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h49 h ALA 277 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1h49 h ALA 277 CO -0.06 0.66 0.17 1.49 0.00 0.00 0.00 179.25 181.51 1h49 h GLU 278 N 0.98 0.34 -0.53 0.00 4.81 -0.77 -1.36 114.58 118.06 1h49 h GLU 278 Ca 0.19 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1h49 h GLU 278 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1h49 h GLU 278 CO 0.02 0.23 0.14 0.93 -0.73 0.00 0.00 179.01 179.59 1h49 h GLU 279 N 0.35 0.83 -0.42 1.92 4.39 -1.00 -0.87 114.58 119.79 1h49 h GLU 279 Ca 0.10 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1h49 h GLU 279 Cb -0.03 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1h49 h GLU 279 CO -0.03 0.79 0.28 0.00 -1.16 0.00 0.00 179.01 178.88 1h49 h ARG 280 N 0.73 0.51 0.02 2.33 3.08 -1.14 -1.66 114.38 118.25 1h49 h ARG 280 Ca 0.17 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 1h49 h ARG 280 Cb 0.32 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.27 1h49 h ARG 280 CO -0.00 0.34 -0.80 0.77 -1.07 0.00 0.00 179.97 179.21 1h49 h SER 281 N 0.53 0.67 -0.56 7.04 0.02 -0.41 -1.95 113.55 118.88 1h49 h SER 281 Ca 0.16 -0.77 0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1h49 h SER 281 Cb -0.01 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.27 1h49 h SER 281 CO -0.04 1.36 0.25 -0.50 -1.14 0.00 0.00 176.83 176.77 1h49 h TRP 282 N 0.05 0.45 -0.45 3.45 4.06 -1.14 -2.30 115.95 120.08 1h49 h TRP 282 Ca -0.11 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.89 1h49 h TRP 282 Cb 1.50 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 29.51 1h49 h TRP 282 CO 0.14 0.18 0.26 -0.44 -3.56 0.00 0.00 178.44 175.02 1h49 h ASP 283 N 0.47 0.42 1.43 -3.49 3.32 -1.23 0.15 116.42 117.50 1h49 h ASP 283 Ca 0.26 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1h49 h ASP 283 Cb 0.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1h49 h ASP 283 CO -0.22 0.30 -0.23 -0.29 -1.72 0.00 0.00 179.24 177.08 1h49 h ILE 284 N 0.52 0.44 0.00 0.35 2.10 -1.23 0.18 117.51 119.87 1h49 h ILE 284 Ca 0.18 -1.39 -0.08 0.00 1.08 0.00 0.00 64.86 64.65 1h49 h ILE 284 Cb 0.02 2.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 1h49 h ILE 284 CO -0.09 0.23 -1.06 -3.20 -1.08 0.00 0.00 178.15 172.94 1h49 n ASN 285 N -3.22 1.89 -0.09 2.19 4.05 -0.88 -4.38 115.26 114.83 1h49 n ASN 285 Ca 0.02 0.44 -0.18 0.00 0.45 0.00 0.00 54.58 55.31 1h49 n ASN 285 Cb 0.55 -0.81 -0.11 0.00 1.23 0.00 0.00 39.78 40.64 1h49 n ASN 285 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1h49 h LEU 286 N -1.00 0.00 -1.70 1.20 5.85 -0.89 -3.40 115.31 115.37 1h49 h LEU 286 Ca -0.12 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.01 1h49 h LEU 286 Cb 0.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1h49 h LEU 286 CO -0.07 1.27 0.23 1.23 -0.34 0.00 0.00 178.44 180.75 1h49 h GLY 287 N -1.00 0.44 -0.11 3.75 0.00 -0.50 -2.18 103.07 103.47 1h49 h GLY 287 Ca -0.21 -0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.06 1h49 h GLY 287 CO -0.13 0.15 -0.20 -0.25 0.00 0.00 0.00 176.54 176.11 1h49 h TRP 288 N 0.41 -0.50 0.00 5.60 2.91 -0.89 0.18 115.95 123.67 1h49 h TRP 288 Ca 0.13 0.05 -0.10 0.00 1.13 0.00 0.00 58.89 60.10 1h49 h TRP 288 Cb 0.02 0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 1h49 h TRP 288 CO -0.00 -0.29 -1.99 1.19 -1.03 0.00 0.00 178.44 176.32 1h49 n PHE 289 N -5.40 0.12 -0.04 2.65 3.72 -1.18 -4.40 117.46 112.94 1h49 n PHE 289 Ca 0.04 0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1h49 n PHE 289 Cb 0.30 -0.68 -0.12 0.00 -0.94 0.00 0.00 39.48 38.04 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 0.11 -0.61 4.37 5.85 -1.15 -3.26 115.31 120.62 1h49 h LEU 290 Ca -0.14 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 57.73 1h49 h LEU 290 Cb 1.33 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1h49 h LEU 290 CO 0.01 0.92 0.28 -0.08 -0.34 0.00 0.00 178.44 179.23 1h49 h GLU 291 N -0.69 0.88 -0.57 1.25 4.81 -1.19 -1.00 114.58 118.07 1h49 h GLU 291 Ca -0.02 -0.13 0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1h49 h GLU 291 Cb 0.95 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 1h49 h GLU 291 CO 0.03 0.71 0.04 -1.35 -0.73 0.00 0.00 179.01 177.71 1h49 h PRO 292 N 0.83 0.15 0.00 0.92 0.11 -1.43 0.50 132.00 133.08 1h49 h PRO 292 Ca 0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1h49 h PRO 292 Cb 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 1h49 h PRO 292 CO -0.02 0.10 -0.08 -0.39 -0.21 0.00 0.00 178.00 177.39 1h49 h VAL 293 N 0.16 0.18 0.00 3.15 -1.51 -1.44 0.18 116.25 116.97 1h49 h VAL 293 Ca 0.29 -0.89 -0.04 0.00 -1.23 0.00 0.00 66.70 64.83 1h49 h VAL 293 Cb 0.46 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1h49 h VAL 293 CO -0.45 0.08 -0.26 0.58 -1.23 0.00 0.00 177.57 176.29 1h49 h VAL 294 N 0.00 1.27 0.00 7.19 2.07 -0.81 0.51 116.25 126.48 1h49 h VAL 294 Ca -0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1h49 h VAL 294 Cb 0.76 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1h49 h VAL 294 CO 0.01 0.43 0.00 -2.11 0.02 0.00 0.00 177.57 175.92 1h49 n ARG 295 N -4.60 -0.85 -0.63 1.57 1.85 0.13 -3.05 116.66 111.07 1h49 n ARG 295 Ca -0.13 -0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.28 1h49 n ARG 295 Cb 0.43 -0.95 0.00 0.00 -1.05 0.00 0.00 32.46 30.90 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 0.01 0.67 3.35 2.89 0.00 0.63 -4.79 105.19 107.95 1h49 n GLY 296 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 -0.12 0.77 1.61 3.68 -1.25 -4.60 116.67 114.67 1h49 s ASP 297 Ca 0.00 -0.54 -0.12 0.00 2.13 0.00 0.00 52.55 54.02 1h49 s ASP 297 Cb 0.00 0.47 0.06 0.00 -1.45 0.00 0.00 42.92 42.00 1h49 s ASP 297 CO 0.00 -0.89 1.11 -0.31 0.13 0.00 0.00 175.17 175.21 1h49 s TYR 298 N -3.87 2.40 0.37 -5.34 2.02 -1.26 -1.57 117.35 110.10 1h49 s TYR 298 Ca 0.08 1.60 -0.26 0.00 -0.37 0.00 0.00 57.07 58.12 1h49 s TYR 298 Cb 0.02 -3.15 -0.12 0.00 -0.40 0.00 0.00 41.96 38.31 1h49 s TYR 298 CO -0.07 -1.99 1.09 -2.30 -1.57 0.00 0.00 175.55 170.71 1h49 n PRO 299 N -3.32 1.55 -0.24 -1.71 -0.02 -1.26 -4.86 135.00 125.14 1h49 n PRO 299 Ca 0.10 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 62.18 1h49 n PRO 299 Cb 0.52 -2.08 0.16 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.90 0.21 -0.42 6.00 3.57 -2.00 -2.49 116.94 123.71 1h49 h PHE 300 Ca -0.44 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.11 1h49 h PHE 300 Cb 1.32 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1h49 h PHE 300 CO 0.46 -0.10 0.27 0.66 -2.23 0.00 0.00 178.31 177.38 1h49 h SER 301 N 0.24 0.47 -0.69 0.41 4.64 -1.99 -0.53 113.55 116.10 1h49 h SER 301 Ca 0.39 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1h49 h SER 301 Cb 0.65 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1h49 h SER 301 CO -0.51 0.34 0.35 0.24 -0.87 0.00 0.00 176.83 176.38 1h49 h MET 302 N 0.56 0.99 -0.80 4.77 2.86 -1.84 -2.10 114.93 119.37 1h49 h MET 302 Ca 0.16 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1h49 h MET 302 Cb -0.05 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1h49 h MET 302 CO -0.04 0.77 0.38 0.00 1.06 0.00 0.00 176.91 179.07 1h49 h ARG 303 N 0.96 1.16 0.00 1.72 3.08 -0.97 0.26 114.38 120.59 1h49 h ARG 303 Ca 0.24 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1h49 h ARG 303 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1h49 h ARG 303 CO -0.03 0.90 -0.25 0.66 -1.07 0.00 0.00 179.97 180.17 1h49 h SER 304 N 1.15 0.00 0.00 7.04 4.64 -0.79 -2.13 113.55 123.45 1h49 h SER 304 Ca 0.28 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.28 1h49 h SER 304 Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1h49 h SER 304 CO -0.03 0.25 -2.14 0.18 -0.87 0.00 0.00 176.83 174.22 1h49 n LEU 305 N -3.43 2.31 0.08 5.97 4.77 -0.82 -4.52 117.00 121.36 1h49 n LEU 305 Ca -0.00 0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1h49 n LEU 305 Cb 0.44 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1h49 n LEU 305 CO 0.34 0.65 0.22 0.00 -1.33 0.00 0.00 177.39 177.28 1h49 h ALA 306 N -0.34 0.50 -0.88 -1.18 0.00 -0.64 -3.49 119.26 113.23 1h49 h ALA 306 Ca -0.48 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1h49 h ALA 306 Cb 1.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1h49 h ALA 306 CO -0.18 1.09 0.00 0.54 0.00 0.00 0.00 179.25 180.70 1h49 n ARG 307 N -3.49 0.00 0.20 0.00 5.12 -0.80 -2.11 116.66 115.57 1h49 n ARG 307 Ca -0.01 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.05 1h49 n ARG 307 Cb 0.86 0.00 0.64 0.00 -1.16 0.00 0.00 32.46 32.80 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 0.00 0.00 5.56 9.09 -1.94 -2.00 114.58 125.29 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 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1h49 h GLU 308 CO 0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 1h49 h ARG 309 N 0.00 0.00 -4.58 1.06 3.08 -1.77 -3.40 114.38 108.77 1h49 h ARG 309 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 1h49 h ARG 309 Cb 0.30 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.11 1h49 h ARG 309 CO 0.00 0.00 -0.51 -1.17 -1.07 0.00 0.00 179.97 177.22 1h49 s LEU 310 N -5.63 4.76 0.80 3.04 2.96 -0.75 -4.70 118.68 119.16 1h49 s LEU 310 Ca 0.01 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 1h49 s LEU 310 Cb 0.09 -2.03 0.08 0.00 0.50 0.00 0.00 46.19 44.83 1h49 s LEU 310 CO 0.47 -0.39 1.16 -2.84 -1.32 0.00 0.00 176.35 173.42 1h49 s PRO 311 N 1.56 1.78 -0.00 0.98 0.02 -1.26 -4.89 135.00 133.19 1h49 s PRO 311 Ca 0.02 1.55 -0.14 0.00 0.02 0.00 0.00 61.00 62.45 1h49 s PRO 311 Cb -0.19 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 1h49 s PRO 311 CO 0.07 -2.06 0.39 -0.06 -0.33 0.00 0.00 177.00 175.00 1h49 s PHE 312 N -2.43 3.71 0.26 6.54 0.40 -1.26 -5.04 117.98 120.17 1h49 s PHE 312 Ca 0.69 0.95 -0.29 0.00 -0.60 0.00 0.00 56.93 57.67 1h49 s PHE 312 Cb -0.24 -2.26 -0.09 0.00 0.51 0.00 0.00 43.02 40.94 1h49 s PHE 312 CO 0.52 0.65 0.98 -0.06 0.70 0.00 0.00 175.22 178.01 1h49 s PHE 313 N -1.09 3.84 0.74 0.36 0.40 -1.26 -5.07 117.98 115.89 1h49 s PHE 313 Ca 0.23 1.85 -0.11 0.00 -0.60 0.00 0.00 56.93 58.30 1h49 s PHE 313 Cb -0.16 -3.06 0.03 0.00 0.51 0.00 0.00 43.02 40.34 1h49 s PHE 313 CO 0.13 0.15 1.08 0.15 0.70 0.00 0.00 175.22 177.43 1h49 s LYS 314 N -1.35 2.57 0.25 0.44 1.02 -1.26 -4.84 119.74 116.57 1h49 s LYS 314 Ca 0.43 1.06 -0.06 0.00 0.02 0.00 0.00 55.97 57.42 1h49 s LYS 314 Cb -0.27 -1.94 0.26 0.00 -0.52 0.00 0.00 37.83 35.36 1h49 s LYS 314 CO 0.34 -1.39 1.93 -0.44 -0.92 0.00 0.00 175.35 174.86 1h49 h ASP 315 N -0.94 1.15 0.17 2.83 3.32 -1.99 -0.60 116.42 120.35 1h49 h ASP 315 Ca -0.44 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1h49 h ASP 315 Cb 1.22 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1h49 h ASP 315 CO 0.54 0.83 -0.24 1.05 -1.72 0.00 0.00 179.24 179.70 1h49 h GLU 316 N 1.36 0.14 -0.07 3.56 4.11 -2.00 -2.33 114.58 119.34 1h49 h GLU 316 Ca 0.37 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.56 1h49 h GLU 316 Cb -0.15 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1h49 h GLU 316 CO -0.08 0.38 -0.78 1.96 0.07 0.00 0.00 179.01 180.55 1h49 h GLN 317 N 0.13 0.48 -0.46 1.06 4.20 -1.54 -2.99 115.11 116.00 1h49 h GLN 317 Ca 0.02 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1h49 h GLN 317 Cb 0.50 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1h49 h GLN 317 CO 0.03 1.05 0.14 0.87 -0.67 0.00 0.00 178.83 180.25 1h49 h LYS 318 N 0.32 0.71 -0.46 1.46 1.57 -0.76 -1.39 116.57 118.01 1h49 h LYS 318 Ca -0.05 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1h49 h LYS 318 Cb 1.38 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1h49 h LYS 318 CO 0.14 0.69 0.27 0.93 -0.57 0.00 0.00 179.45 180.91 1h49 h GLU 319 N 0.60 0.53 -0.38 3.15 4.39 -1.48 -1.49 114.58 119.89 1h49 h GLU 319 Ca 0.15 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1h49 h GLU 319 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1h49 h GLU 319 CO -0.00 0.35 -0.15 0.87 -1.16 0.00 0.00 179.01 178.91 1h49 h LYS 320 N 0.54 0.70 -0.13 2.33 1.57 -1.37 -3.11 116.57 117.10 1h49 h LYS 320 Ca 0.19 -0.24 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1h49 h LYS 320 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1h49 h LYS 320 CO -0.09 0.82 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.88 1h49 h LEU 321 N 0.63 0.61 -9.18 2.94 3.38 -0.99 -3.40 115.31 109.30 1h49 h LEU 321 Ca 0.10 -0.37 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 1h49 h LEU 321 Cb 0.62 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1h49 h LEU 321 CO 0.04 1.11 0.86 0.00 0.09 0.00 0.00 178.44 180.54 1h49 s ALA 322 N -3.79 3.63 -0.10 1.53 0.00 -0.58 -2.54 121.76 119.90 1h49 s ALA 322 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1h49 s ALA 322 Cb 0.10 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1h49 s ALA 322 CO 0.85 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1h49 n GLY 323 N 3.56 0.47 2.16 0.00 0.00 0.16 -4.95 105.19 106.60 1h49 n GLY 323 Ca 0.13 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 1.40 6.78 -3.56 1.61 3.41 -1.05 -4.80 113.62 117.40 1h49 n SER 324 Ca -0.01 -2.58 -0.09 0.00 -0.26 0.00 0.00 58.87 55.93 1h49 n SER 324 Cb 0.04 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.49 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 1.23 -0.33 -0.09 7.33 -0.85 -1.26 -4.77 117.35 118.61 1h49 s TYR 325 Ca 0.67 0.45 0.07 0.00 -0.52 0.00 0.00 57.07 57.74 1h49 s TYR 325 Cb 0.26 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 42.99 1h49 s TYR 325 CO -0.04 -0.37 0.19 0.09 -1.52 0.00 0.00 175.55 173.90 1h49 n ASN 326 N 0.39 2.57 -3.81 -0.18 4.13 0.49 -4.98 115.26 113.87 1h49 n ASN 326 Ca -0.09 -0.18 -0.09 0.00 1.68 0.00 0.00 54.58 55.90 1h49 n ASN 326 Cb 0.59 1.23 -0.04 0.00 -1.54 0.00 0.00 39.78 40.02 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 -2.24 1.51 -0.00 3.52 0.23 -1.22 -4.46 119.30 116.64 1h49 s MET 327 Ca -0.01 -0.96 -0.02 0.00 -1.03 0.00 0.00 55.69 53.67 1h49 s MET 327 Cb 0.05 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.88 1h49 s MET 327 CO 0.28 -0.65 0.04 -0.51 -2.03 0.00 0.00 175.02 172.15 1h49 s LEU 328 N -2.91 1.93 0.05 0.18 1.02 -0.33 -3.97 118.68 114.65 1h49 s LEU 328 Ca 0.12 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.10 1h49 s LEU 328 Cb -0.02 0.24 -0.04 0.00 0.02 0.00 0.00 46.19 46.39 1h49 s LEU 328 CO 0.01 -0.19 0.10 -0.83 0.02 0.00 0.00 176.35 175.47 1h49 s GLY 329 N -0.79 2.05 -0.10 -3.19 0.00 0.13 -0.99 107.32 104.42 1h49 s GLY 329 Ca -0.09 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1h49 s GLY 329 CO -0.00 -0.89 -0.14 1.08 0.00 0.00 0.00 173.10 173.15 1h49 s LEU 330 N -2.22 1.64 -0.37 0.66 1.02 0.08 -1.10 118.68 118.38 1h49 s LEU 330 Ca 0.28 -0.39 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 1h49 s LEU 330 Cb -0.12 -1.02 0.02 0.00 0.02 0.00 0.00 46.19 45.08 1h49 s LEU 330 CO 0.21 -0.00 0.22 0.20 0.02 0.00 0.00 176.35 177.00 1h49 s ASN 331 N 1.06 5.82 -0.05 2.29 0.01 0.32 -1.08 114.94 123.31 1h49 s ASN 331 Ca -0.06 -0.84 0.02 0.00 -0.71 0.00 0.00 52.86 51.27 1h49 s ASN 331 Cb -0.15 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.47 1h49 s ASN 331 CO -0.02 -0.35 -0.08 -0.47 -1.51 0.00 0.00 177.10 174.67 1h49 s TYR 332 N 1.61 1.05 0.00 2.20 5.04 -0.60 -1.88 117.35 124.77 1h49 s TYR 332 Ca 0.04 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1h49 s TYR 332 Cb -0.19 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.29 1h49 s TYR 332 CO 0.08 -0.23 0.00 0.66 -1.34 0.00 0.00 175.55 174.72 1h49 n TYR 333 N 3.93 0.00 -3.86 4.97 4.02 -1.26 -4.16 117.16 120.80 1h49 n TYR 333 Ca -0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.59 1h49 n TYR 333 Cb 0.51 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.86 1h49 n TYR 333 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1h49 s THR 334 N -1.53 0.00 0.22 -0.72 -1.32 -1.26 -4.66 115.64 106.37 1h49 s THR 334 Ca 0.00 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1h49 s THR 334 Cb 0.00 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.95 1h49 s THR 334 CO 0.00 0.00 0.11 -0.44 -2.21 0.00 0.00 174.62 172.08 1h49 s SER 335 N -3.31 0.69 0.04 8.08 0.01 -1.26 -1.90 113.70 116.05 1h49 s SER 335 Ca 0.20 -1.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.09 1h49 s SER 335 Cb -0.04 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1h49 s SER 335 CO 0.08 -0.77 -0.04 -0.13 0.41 0.00 0.00 173.24 172.80 1h49 s ARG 336 N -4.09 0.54 -0.05 12.44 1.81 -0.08 -4.88 118.95 124.64 1h49 s ARG 336 Ca 0.37 -1.03 -0.27 0.00 -1.72 0.00 0.00 55.73 53.08 1h49 s ARG 336 Cb 0.07 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1h49 s ARG 336 CO 0.12 -0.08 0.85 -0.06 -0.68 0.00 0.00 175.30 175.46 1h49 s PHE 337 N -3.05 3.59 -0.20 -0.53 0.40 0.07 -1.62 117.98 116.63 1h49 s PHE 337 Ca -0.00 1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 57.68 1h49 s PHE 337 Cb 0.02 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.51 1h49 s PHE 337 CO -0.06 -0.01 0.19 -1.12 0.70 0.00 0.00 175.22 174.91 1h49 s SER 338 N 0.95 6.25 -0.14 1.36 0.01 0.67 -0.57 113.70 122.22 1h49 s SER 338 Ca 0.44 0.28 0.02 0.00 1.31 0.00 0.00 55.95 58.00 1h49 s SER 338 Cb -0.19 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1h49 s SER 338 CO 0.21 0.12 -0.19 -0.75 0.41 0.00 0.00 173.24 173.04 1h49 s LYS 339 N 0.63 2.76 0.20 12.44 2.20 -0.29 -1.67 119.74 136.01 1h49 s LYS 339 Ca 0.10 -0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 1h49 s LYS 339 Cb -0.12 -2.29 -0.15 0.00 -1.51 0.00 0.00 37.83 33.75 1h49 s LYS 339 CO 0.02 -0.07 1.12 -1.71 -0.36 0.00 0.00 175.35 174.34 1h49 n ASN 340 N 4.24 1.32 -4.18 1.43 5.15 -1.26 -1.19 115.26 120.75 1h49 n ASN 340 Ca -0.20 1.15 -0.31 0.00 -0.60 0.00 0.00 54.58 54.63 1h49 n ASN 340 Cb 0.51 -1.23 -0.17 0.00 -0.53 0.00 0.00 39.78 38.36 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 -0.41 1.90 0.45 -1.44 1.01 -0.40 -4.78 121.20 117.54 1h49 s ILE 341 Ca 0.69 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 60.21 1h49 s ILE 341 Cb -0.81 -1.66 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 1h49 s ILE 341 CO 0.54 0.53 0.98 -1.81 0.00 0.00 0.00 174.94 175.18 1h49 s ASP 342 N 0.42 6.73 0.05 3.58 1.01 -1.26 -4.72 116.67 122.48 1h49 s ASP 342 Ca -0.18 1.79 -0.31 0.00 0.71 0.00 0.00 52.55 54.56 1h49 s ASP 342 Cb -0.17 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 1h49 s ASP 342 CO 0.07 -0.51 1.56 -0.63 0.21 0.00 0.00 175.17 175.87 1h49 s ILE 343 N -2.09 3.27 -0.08 0.77 1.01 -1.26 -4.82 121.20 118.00 1h49 s ILE 343 Ca 0.64 0.71 -0.32 0.00 0.00 0.00 0.00 60.65 61.68 1h49 s ILE 343 Cb -0.12 -3.46 0.12 0.00 0.01 0.00 0.00 42.46 39.01 1h49 s ILE 343 CO 0.16 0.00 1.13 -0.94 0.00 0.00 0.00 174.94 175.29 1h49 s SER 344 N 2.16 -0.17 0.00 3.58 1.04 -1.26 -5.01 113.70 114.04 1h49 s SER 344 Ca 0.70 -0.07 0.15 0.00 0.48 0.00 0.00 55.95 57.21 1h49 s SER 344 Cb -0.37 0.23 0.76 0.00 0.10 0.00 0.00 66.02 66.75 1h49 s SER 344 CO 0.30 -0.40 1.43 -0.81 0.98 0.00 0.00 173.24 174.74 1h49 n PRO 345 N -0.25 0.20 0.00 4.02 -0.04 -1.26 -2.38 135.00 135.30 1h49 n PRO 345 Ca -0.04 0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 1h49 n PRO 345 Cb 0.60 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.30 0.40 -3.73 3.54 3.02 -1.26 -4.87 115.26 111.06 1h49 n ASN 346 Ca 0.07 -0.92 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 1h49 n ASN 346 Cb 0.12 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 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 -2.16 -0.25 -0.06 3.10 5.04 -1.00 -5.14 117.35 116.87 1h49 s TYR 347 Ca 0.40 0.65 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 1h49 s TYR 347 Cb 0.21 -0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.52 1h49 s TYR 347 CO 0.39 -0.21 -0.01 -1.12 -1.34 0.00 0.00 175.55 173.26 1h49 s SER 348 N 1.33 1.41 0.21 4.32 0.01 -1.26 -4.59 113.70 115.13 1h49 s SER 348 Ca -0.08 -0.10 -0.32 0.00 1.31 0.00 0.00 55.95 56.76 1h49 s SER 348 Cb -0.11 -0.45 -0.14 0.00 0.21 0.00 0.00 66.02 65.53 1h49 s SER 348 CO -0.07 -0.15 1.39 -2.65 0.41 0.00 0.00 173.24 172.17 1h49 n PRO 349 N 4.83 1.89 -0.10 12.44 -0.02 -1.26 -4.94 135.00 147.83 1h49 n PRO 349 Ca -0.13 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.83 1h49 n PRO 349 Cb 0.50 -2.32 -0.07 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 2.06 1.09 -3.91 -1.45 0.31 -1.26 -5.02 118.33 110.16 1h49 n VAL 350 Ca 0.13 -0.30 -0.27 0.00 -0.01 0.00 0.00 64.34 63.89 1h49 n VAL 350 Cb 0.30 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 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 -6.92 4.33 0.38 7.52 1.43 -1.26 -4.30 118.68 119.87 1h49 s LEU 351 Ca -0.27 0.22 0.13 0.00 -1.03 0.00 0.00 54.13 53.18 1h49 s LEU 351 Cb 0.10 -2.96 0.95 0.00 0.03 0.00 0.00 46.19 44.32 1h49 s LEU 351 CO 0.36 0.06 1.84 -0.55 0.23 0.00 0.00 176.35 178.30 1h49 h ASN 352 N 2.32 0.54 0.88 2.29 -1.07 -1.65 -0.34 115.58 118.54 1h49 h ASN 352 Ca -0.48 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 55.95 1h49 h ASN 352 Cb 1.19 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 37.39 1h49 h ASN 352 CO 0.70 0.22 -0.01 0.71 0.07 0.00 0.00 177.43 179.13 1h49 h THR 353 N 0.54 0.02 0.00 6.14 1.35 -1.94 -2.33 112.91 116.69 1h49 h THR 353 Ca 0.49 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1h49 h THR 353 Cb 1.03 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1h49 h THR 353 CO -0.23 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 175.52 1h49 n ASP 354 N -3.10 0.56 0.00 5.36 8.00 -0.14 -2.99 116.55 124.25 1h49 n ASP 354 Ca 0.00 0.66 0.04 0.00 0.71 0.00 0.00 54.79 56.20 1h49 n ASP 354 Cb 0.28 -0.77 0.16 0.00 -0.02 0.00 0.00 41.12 40.77 1h49 n ASP 354 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h49 n ASP 355 N -2.14 0.01 0.11 -2.24 8.00 -0.88 -1.90 116.55 117.50 1h49 n ASP 355 Ca 0.02 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1h49 n ASP 355 Cb 0.18 -0.50 0.45 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.50 2.02 -3.79 2.24 0.00 -1.16 -4.79 120.51 113.52 1h49 n ALA 356 Ca 0.02 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1h49 n ALA 356 Cb 0.09 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.18 -1.95 -3.69 0.00 4.02 -0.80 -4.72 117.16 107.84 1h49 n TYR 357 Ca 0.04 0.84 -0.11 0.00 -0.01 0.00 0.00 57.90 58.67 1h49 n TYR 357 Cb 0.34 -4.18 -0.10 0.00 -0.02 0.00 0.00 39.34 35.38 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 -3.63 -1.24 0.14 -0.72 0.00 -1.26 -1.27 121.76 113.78 1h49 s ALA 358 Ca 0.16 1.65 -0.19 0.00 0.00 0.00 0.00 51.96 53.58 1h49 s ALA 358 Cb -0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 1h49 s ALA 358 CO 0.83 -0.28 0.62 -1.54 0.00 0.00 0.00 175.76 175.40 1h49 s SER 359 N 1.16 7.02 -0.40 0.00 1.04 -0.34 -4.84 113.70 117.35 1h49 s SER 359 Ca -0.07 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 1h49 s SER 359 Cb -0.07 -2.37 0.09 0.00 0.10 0.00 0.00 66.02 63.78 1h49 s SER 359 CO -0.11 0.15 0.19 -1.10 0.98 0.00 0.00 173.24 173.36 1h49 s GLN 360 N -1.59 2.24 -0.10 4.02 -1.52 -1.26 -1.14 119.66 120.31 1h49 s GLN 360 Ca 0.36 -1.64 -0.08 0.00 -1.95 0.00 0.00 55.36 52.05 1h49 s GLN 360 Cb -0.18 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 28.99 1h49 s GLN 360 CO 0.20 -0.97 0.18 -1.21 -0.25 0.00 0.00 175.29 173.24 1h49 s GLU 361 N 1.24 3.50 0.02 2.91 0.41 0.26 -4.88 118.70 122.16 1h49 s GLU 361 Ca 0.05 -0.07 -0.20 0.00 -0.41 0.00 0.00 54.97 54.33 1h49 s GLU 361 Cb -0.22 -3.18 -0.18 0.00 -1.78 0.00 0.00 34.13 28.76 1h49 s GLU 361 CO -0.02 0.76 1.22 0.28 -0.49 0.00 0.00 175.26 177.01 1h49 h VAL 362 N 3.85 1.40 -3.02 2.63 2.07 -1.92 0.23 116.25 121.49 1h49 h VAL 362 Ca -0.54 -1.68 -0.62 0.00 0.82 0.00 0.00 66.70 64.68 1h49 h VAL 362 Cb 1.23 2.22 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 1h49 h VAL 362 CO 0.59 0.49 -0.34 0.20 0.02 0.00 0.00 177.57 178.53 1h49 s ASN 363 N -6.41 6.53 0.64 0.57 0.01 -1.26 -1.77 114.94 113.25 1h49 s ASN 363 Ca -0.14 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.64 1h49 s ASN 363 Cb 0.04 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.53 1h49 s ASN 363 CO 0.78 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 177.24 1h49 n GLY 364 N 2.51 -1.13 0.28 0.66 0.00 -1.00 -4.89 105.19 101.61 1h49 n GLY 364 Ca -0.15 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.90 -2.66 132.00 129.05 1h49 h PRO 365 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1h49 h PRO 365 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1h49 h PRO 365 CO 0.00 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 177.44 1h49 n ASP 366 N -3.36 1.11 0.00 1.44 5.68 -1.26 -4.92 116.55 115.25 1h49 n ASP 366 Ca -0.01 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1h49 n ASP 366 Cb 0.23 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.99 2.83 3.80 6.12 0.00 -1.00 -5.02 105.19 112.91 1h49 n GLY 367 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.17 4.37 0.73 1.61 1.02 -1.26 -4.76 119.74 121.28 1h49 s LYS 368 Ca 0.00 0.96 -0.14 0.00 0.02 0.00 0.00 55.97 56.81 1h49 s LYS 368 Cb 0.00 -3.09 0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1h49 s LYS 368 CO 0.00 0.51 1.15 -1.25 -0.92 0.00 0.00 175.35 174.84 1h49 s PRO 369 N -1.51 2.28 0.39 -1.68 0.04 -1.26 -2.37 135.00 130.89 1h49 s PRO 369 Ca 0.38 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1h49 s PRO 369 Cb -0.20 -1.87 0.79 0.00 0.04 0.00 0.00 34.50 33.26 1h49 s PRO 369 CO 0.23 -1.68 1.98 0.97 0.04 0.00 0.00 177.00 178.54 1h49 h ILE 370 N -0.41 1.14 -3.14 0.56 2.10 -1.71 -3.45 117.51 112.60 1h49 h ILE 370 Ca -0.46 -0.46 0.04 0.00 1.08 0.00 0.00 64.86 65.05 1h49 h ILE 370 Cb 1.27 0.78 -0.06 0.00 -1.09 0.00 0.00 36.82 37.72 1h49 h ILE 370 CO 0.51 0.17 0.16 -0.83 -1.08 0.00 0.00 178.15 177.08 1h49 s GLY 371 N -3.81 0.07 0.32 8.18 0.00 -1.26 -4.86 107.32 105.96 1h49 s GLY 371 Ca -0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 1h49 s GLY 371 CO 0.74 -0.21 1.49 -1.05 0.00 0.00 0.00 173.10 174.06 1h49 n PRO 372 N -0.45 2.51 -2.27 2.90 -0.02 -1.23 -4.30 135.00 132.13 1h49 n PRO 372 Ca -0.04 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1h49 n PRO 372 Cb 0.60 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1h49 n PRO 372 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1h49 s PRO 373 N -1.21 4.44 0.00 0.52 0.04 -1.26 -0.52 135.00 137.01 1h49 s PRO 373 Ca 0.60 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.89 1h49 s PRO 373 Cb -0.52 -3.18 0.22 0.00 0.04 0.00 0.00 34.50 31.06 1h49 s PRO 373 CO 0.56 -0.14 1.24 -1.33 0.04 0.00 0.00 177.00 177.37 1h49 n MET 374 N 2.04 1.40 0.00 4.56 2.81 -0.57 -4.91 117.12 122.45 1h49 n MET 374 Ca 0.04 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.83 1h49 n MET 374 Cb 0.43 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.38 3.90 3.96 3.03 0.00 -1.26 -4.77 105.19 111.43 1h49 n GLY 375 Ca 0.11 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 4.02 0.57 1.61 2.20 -1.25 -4.79 114.94 117.30 1h49 s ASN 376 Ca 0.00 0.03 0.26 0.00 -0.94 0.00 0.00 52.86 52.22 1h49 s ASN 376 Cb 0.00 -0.36 1.55 0.00 -2.00 0.00 0.00 41.25 40.44 1h49 s ASN 376 CO 0.00 -2.10 2.09 -0.65 -2.94 0.00 0.00 177.10 173.49 1h49 h PRO 377 N -0.93 0.00 0.00 3.55 0.11 -1.99 -3.36 132.00 129.39 1h49 h PRO 377 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1h49 h PRO 377 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h49 h PRO 377 CO 0.44 0.00 -0.13 -2.67 -0.21 0.00 0.00 178.00 175.43 1h49 n TRP 378 N -4.02 0.00 -2.98 0.65 4.27 -1.26 -5.02 117.44 109.07 1h49 n TRP 378 Ca 0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 1h49 n TRP 378 Cb 0.35 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.24 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 -0.63 4.79 -0.13 -1.67 1.01 -1.26 -4.95 121.20 118.37 1h49 s ILE 379 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1h49 s ILE 379 Cb 0.00 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1h49 s ILE 379 CO 0.00 -0.33 -0.14 -0.31 0.00 0.00 0.00 174.94 174.16 1h49 s TYR 380 N 2.96 2.79 -0.29 3.97 1.51 -1.26 -1.51 117.35 125.52 1h49 s TYR 380 Ca 0.30 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 1h49 s TYR 380 Cb -0.14 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1h49 s TYR 380 CO 0.15 -0.21 1.52 1.41 -1.11 0.00 0.00 175.55 177.30 1h49 s MET 381 N 0.32 3.73 -0.44 -0.62 1.75 0.32 -4.25 119.30 120.11 1h49 s MET 381 Ca -0.11 1.39 0.06 0.00 -1.25 0.00 0.00 55.69 55.78 1h49 s MET 381 Cb -0.16 -4.01 0.19 0.00 2.84 0.00 0.00 34.83 33.69 1h49 s MET 381 CO 0.06 -1.37 0.52 0.98 -0.65 0.00 0.00 175.02 174.56 1h49 n TYR 382 N 8.53 -1.88 0.28 4.11 9.36 -1.26 -3.58 117.16 132.72 1h49 n TYR 382 Ca 0.18 -2.66 0.14 0.00 3.32 0.00 0.00 57.90 58.88 1h49 n TYR 382 Cb 0.46 0.63 0.80 0.00 -0.63 0.00 0.00 39.34 40.60 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 5.07 0.00 -0.77 2.98 0.11 -1.93 -2.50 132.00 134.94 1h49 h PRO 383 Ca 0.14 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.35 1h49 h PRO 383 Cb 0.97 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1h49 h PRO 383 CO 0.28 0.08 0.51 0.93 -0.21 0.00 0.00 178.00 179.59 1h49 h GLU 384 N 0.00 0.67 -0.16 1.05 5.08 -1.96 -2.06 114.58 117.20 1h49 h GLU 384 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1h49 h GLU 384 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1h49 h GLU 384 CO 0.01 0.44 -0.10 0.78 -1.00 0.00 0.00 179.01 179.15 1h49 h GLY 385 N 0.69 0.26 0.92 -3.84 0.00 -1.85 0.64 103.07 99.89 1h49 h GLY 385 Ca 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1h49 h GLY 385 CO -0.13 0.14 0.08 -2.00 0.00 0.00 0.00 176.54 174.63 1h49 h LEU 386 N 0.24 0.21 -0.37 3.11 6.46 -1.52 -1.33 115.31 122.10 1h49 h LEU 386 Ca 0.05 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1h49 h LEU 386 Cb 0.33 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 1h49 h LEU 386 CO 0.02 0.26 0.10 0.50 -0.62 0.00 0.00 178.44 178.69 1h49 h LYS 387 N 0.15 0.22 -0.65 1.25 3.64 -1.03 -0.97 116.57 119.18 1h49 h LYS 387 Ca 0.06 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1h49 h LYS 387 Cb 0.10 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1h49 h LYS 387 CO -0.01 0.15 0.23 -0.44 -2.27 0.00 0.00 179.45 177.11 1h49 h ASP 388 N 0.23 0.20 -0.33 4.20 3.32 -0.75 -1.08 116.42 122.22 1h49 h ASP 388 Ca 0.17 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1h49 h ASP 388 Cb 0.18 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1h49 h ASP 388 CO -0.20 0.11 0.06 0.25 -1.72 0.00 0.00 179.24 177.73 1h49 h LEU 389 N 0.40 0.51 -1.22 1.55 5.85 -0.86 -1.70 115.31 119.85 1h49 h LEU 389 Ca 0.34 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1h49 h LEU 389 Cb 0.46 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1h49 h LEU 389 CO -0.35 0.64 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.22 1h49 h LEU 390 N 0.37 0.40 -0.74 2.25 3.38 -0.62 -1.84 115.31 118.51 1h49 h LEU 390 Ca 0.10 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1h49 h LEU 390 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1h49 h LEU 390 CO 0.01 0.54 -0.53 0.24 0.09 0.00 0.00 178.44 178.78 1h49 h MET 391 N 0.40 0.26 -0.06 1.13 2.86 -0.88 -0.58 114.93 118.05 1h49 h MET 391 Ca 0.08 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1h49 h MET 391 Cb 0.42 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1h49 h MET 391 CO 0.02 0.73 0.03 0.82 1.06 0.00 0.00 176.91 179.57 1h49 h ILE 392 N 0.20 1.11 -0.93 -1.22 2.04 -0.85 0.82 117.51 118.68 1h49 h ILE 392 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1h49 h ILE 392 Cb 1.01 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1h49 h ILE 392 CO 0.08 0.09 0.60 0.24 0.00 0.00 0.00 178.15 179.16 1h49 h MET 393 N -0.04 1.23 0.25 2.37 2.86 -1.21 0.02 114.93 120.42 1h49 h MET 393 Ca 0.02 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1h49 h MET 393 Cb 0.13 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1h49 h MET 393 CO -0.00 0.83 -0.12 -0.22 1.06 0.00 0.00 176.91 178.46 1h49 h LYS 394 N 1.27 -0.32 0.00 1.72 3.64 -0.96 -0.12 116.57 121.80 1h49 h LYS 394 Ca 0.34 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1h49 h LYS 394 Cb -0.12 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1h49 h LYS 394 CO -0.07 -0.04 -1.38 0.09 -2.27 0.00 0.00 179.45 175.77 1h49 n ASN 395 N -5.13 0.67 -0.10 4.20 3.02 0.27 -2.82 115.26 115.37 1h49 n ASN 395 Ca -0.09 0.27 -0.17 0.00 -0.03 0.00 0.00 54.58 54.56 1h49 n ASN 395 Cb 0.23 0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 39.94 1h49 n ASN 395 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1h49 n LYS 396 N -2.69 0.48 -0.69 3.52 4.81 -0.02 -4.77 118.16 118.80 1h49 n LYS 396 Ca -0.06 0.14 -0.01 0.00 -0.87 0.00 0.00 58.31 57.52 1h49 n LYS 396 Cb 0.69 -1.35 0.21 0.00 0.02 0.00 0.00 35.03 34.59 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 -3.36 0.96 -0.56 5.64 4.01 -1.19 -4.94 117.16 117.72 1h49 n TYR 397 Ca -0.37 -1.43 0.00 0.00 -0.16 0.00 0.00 57.90 55.93 1h49 n TYR 397 Cb 0.85 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.03 0.73 3.92 2.72 0.00 -1.21 -4.37 105.19 105.95 1h49 n GLY 398 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -2.76 -4.76 1.61 5.15 -0.06 -4.97 115.26 109.47 1h49 n ASN 399 Ca 0.00 -1.10 -0.30 0.00 -0.60 0.00 0.00 54.58 52.58 1h49 n ASN 399 Cb 0.00 -2.73 0.12 0.00 -0.53 0.00 0.00 39.78 36.64 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 -6.63 1.63 0.10 1.20 0.04 -1.26 -4.70 135.00 125.39 1h49 s PRO 400 Ca 0.27 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 1h49 s PRO 400 Cb -0.12 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1h49 s PRO 400 CO 0.91 -1.96 1.85 -2.30 0.04 0.00 0.00 177.00 175.54 1h49 n PRO 401 N -3.68 2.77 -5.28 0.56 -0.02 -1.26 -4.54 135.00 123.55 1h49 n PRO 401 Ca 0.07 1.01 -0.31 0.00 -2.02 0.00 0.00 63.50 62.25 1h49 n PRO 401 Cb 0.56 -2.91 -0.16 0.00 -0.02 0.00 0.00 33.50 30.97 1h49 n PRO 401 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1h49 s ILE 402 N 2.97 2.04 -0.09 4.25 -1.09 -0.78 -1.18 121.20 127.32 1h49 s ILE 402 Ca 0.83 -1.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1h49 s ILE 402 Cb -0.49 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1h49 s ILE 402 CO 0.38 0.57 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.18 1h49 s TYR 403 N -0.38 2.66 -0.78 3.97 1.51 -0.16 0.10 117.35 124.26 1h49 s TYR 403 Ca 0.03 -0.62 -0.26 0.00 -1.01 0.00 0.00 57.07 55.22 1h49 s TYR 403 Cb -0.12 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1h49 s TYR 403 CO 0.01 -0.16 1.54 0.42 -1.11 0.00 0.00 175.55 176.25 1h49 s ILE 404 N -0.01 3.64 -1.01 2.71 -1.09 -0.40 -0.74 121.20 124.30 1h49 s ILE 404 Ca -0.06 0.03 0.28 0.00 -2.23 0.00 0.00 60.65 58.67 1h49 s ILE 404 Cb -0.15 -4.60 0.16 0.00 -1.58 0.00 0.00 42.46 36.29 1h49 s ILE 404 CO 0.05 -1.53 1.74 0.35 -1.23 0.00 0.00 174.94 174.31 1h49 n THR 405 N 6.87 0.00 -3.71 2.92 -2.24 -0.24 -0.30 114.28 117.58 1h49 n THR 405 Ca 0.18 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1h49 n THR 405 Cb 0.50 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.99 0.52 -0.28 -0.78 2.02 -1.22 -4.67 118.70 111.30 1h49 s GLU 406 Ca 0.13 0.68 -0.19 0.00 0.02 0.00 0.00 54.97 55.62 1h49 s GLU 406 Cb 0.18 0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.74 1h49 s GLU 406 CO 0.59 -0.08 0.85 1.21 0.02 0.00 0.00 175.26 177.86 1h49 s ASN 407 N 0.46 -0.68 0.00 -0.19 3.84 -1.10 -1.56 114.94 115.71 1h49 s ASN 407 Ca -0.02 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.20 1h49 s ASN 407 Cb -0.04 1.25 0.00 0.00 -0.55 0.00 0.00 41.25 41.91 1h49 s ASN 407 CO -0.02 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 1h49 n GLY 408 N 3.54 -1.73 3.26 1.21 0.00 -1.26 -0.36 105.19 109.86 1h49 n GLY 408 Ca -0.17 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.35 0.98 -0.22 -0.61 -4.36 -1.26 -4.89 121.20 108.48 1h49 s ILE 409 Ca 0.00 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.32 1h49 s ILE 409 Cb 0.00 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 1h49 s ILE 409 CO 0.00 -0.58 -0.03 -0.83 0.24 0.00 0.00 174.94 173.73 1h49 s GLY 410 N -3.19 1.62 -0.10 6.27 0.00 -1.26 -4.26 107.32 106.40 1h49 s GLY 410 Ca 0.21 -1.16 -0.27 0.00 0.00 0.00 0.00 44.72 43.50 1h49 s GLY 410 CO 0.03 0.43 0.88 0.99 0.00 0.00 0.00 173.10 175.43 1h49 s ASP 411 N 1.46 7.12 0.10 1.64 -0.00 -0.39 -3.81 116.67 122.80 1h49 s ASP 411 Ca 0.06 1.37 -0.30 0.00 -0.00 0.00 0.00 52.55 53.67 1h49 s ASP 411 Cb -0.14 -2.50 -0.06 0.00 -0.00 0.00 0.00 42.92 40.22 1h49 s ASP 411 CO -0.02 -0.32 1.13 -0.69 -0.00 0.00 0.00 175.17 175.27 1h49 s VAL 412 N 1.59 4.07 -0.29 -1.27 1.01 -1.26 -1.10 120.40 123.15 1h49 s VAL 412 Ca 0.44 1.59 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1h49 s VAL 412 Cb -0.18 -4.02 0.16 0.00 0.00 0.00 0.00 36.38 32.34 1h49 s VAL 412 CO 0.18 0.18 0.39 -0.62 0.00 0.00 0.00 175.10 175.23 1h49 s ASP 413 N 0.59 0.63 0.31 3.32 2.15 -0.19 -4.61 116.67 118.87 1h49 s ASP 413 Ca 0.54 -0.46 0.03 0.00 0.43 0.00 0.00 52.55 53.09 1h49 s ASP 413 Cb -0.28 0.99 -0.05 0.00 -0.30 0.00 0.00 42.92 43.27 1h49 s ASP 413 CO 0.31 -0.36 0.08 0.28 -0.17 0.00 0.00 175.17 175.31 1h49 s THR 414 N 2.51 0.88 0.20 1.71 -1.32 -1.13 -4.21 115.64 114.28 1h49 s THR 414 Ca 0.10 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.47 1h49 s THR 414 Cb -0.13 -2.69 0.12 0.00 -1.51 0.00 0.00 72.50 68.30 1h49 s THR 414 CO -0.31 0.00 1.77 0.11 -2.21 0.00 0.00 174.62 173.98 1h49 h LYS 415 N 2.18 0.48 0.34 7.08 1.57 -1.99 -1.49 116.57 124.74 1h49 h LYS 415 Ca -0.39 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1h49 h LYS 415 Cb 1.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1h49 h LYS 415 CO 0.65 0.32 -0.16 0.93 -0.57 0.00 0.00 179.45 180.61 1h49 h GLU 416 N 0.50 -0.44 -3.10 3.15 3.07 -2.05 -3.37 114.58 112.34 1h49 h GLU 416 Ca 0.28 0.03 -0.62 0.00 -0.50 0.00 0.00 59.36 58.55 1h49 h GLU 416 Cb 0.25 0.10 -0.42 0.00 -0.84 0.00 0.00 28.75 27.85 1h49 h GLU 416 CO -0.23 -0.18 -0.58 0.99 -1.40 0.00 0.00 179.01 177.61 1h49 s THR 417 N -5.31 2.84 0.50 1.13 2.01 -1.19 -5.10 115.64 110.52 1h49 s THR 417 Ca -0.15 -4.19 -0.21 0.00 0.31 0.00 0.00 61.69 57.45 1h49 s THR 417 Cb 0.03 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1h49 s THR 417 CO 0.59 -0.99 1.10 -2.16 -0.69 0.00 0.00 174.62 172.47 1h49 s PRO 418 N -1.36 3.62 -0.35 4.92 0.04 -0.57 -2.83 135.00 138.48 1h49 s PRO 418 Ca 0.24 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1h49 s PRO 418 Cb -0.06 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1h49 s PRO 418 CO -0.15 -0.62 0.20 -1.17 0.04 0.00 0.00 177.00 175.30 1h49 s LEU 419 N -3.46 4.50 0.42 -3.56 0.20 -1.26 -4.90 118.68 110.61 1h49 s LEU 419 Ca 0.68 -0.69 -0.25 0.00 0.69 0.00 0.00 54.13 54.57 1h49 s LEU 419 Cb -0.23 -2.06 -0.10 0.00 -0.43 0.00 0.00 46.19 43.38 1h49 s LEU 419 CO 0.27 -0.29 1.07 -2.65 -0.29 0.00 0.00 176.35 174.46 1h49 n PRO 420 N 5.03 1.48 -0.17 0.98 -0.02 -1.26 -4.74 135.00 136.30 1h49 n PRO 420 Ca -0.13 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1h49 n PRO 420 Cb 0.48 -2.12 0.39 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.66 0.65 -0.57 -0.52 4.05 -1.98 -0.60 114.93 117.62 1h49 h MET 421 Ca -0.45 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 58.91 1h49 h MET 421 Cb 1.33 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.96 1h49 h MET 421 CO 0.58 0.43 0.26 1.49 0.23 0.00 0.00 176.91 179.90 1h49 h GLU 422 N 0.67 0.82 -0.15 0.39 4.81 -1.99 -0.46 114.58 118.67 1h49 h GLU 422 Ca 0.33 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1h49 h GLU 422 Cb 0.39 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1h49 h GLU 422 CO -0.11 0.68 -0.50 0.00 -0.73 0.00 0.00 179.01 178.35 1h49 h ALA 423 N 1.10 0.85 -0.26 2.92 0.00 -1.74 -1.10 119.26 121.04 1h49 h ALA 423 Ca 0.19 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1h49 h ALA 423 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h49 h ALA 423 CO -0.02 0.67 -0.30 0.00 0.00 0.00 0.00 179.25 179.60 1h49 h ALA 424 N 1.14 1.01 0.00 0.00 0.00 -0.81 -2.87 119.26 117.73 1h49 h ALA 424 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1h49 h ALA 424 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1h49 h ALA 424 CO 0.09 0.59 -0.75 -0.07 0.00 0.00 0.00 179.25 179.11 1h49 h LEU 425 N 0.45 0.00 -5.47 0.00 3.38 -1.04 -3.35 115.31 109.28 1h49 h LEU 425 Ca 0.06 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.33 1h49 h LEU 425 Cb 0.74 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1h49 h LEU 425 CO 0.06 0.71 2.06 0.59 0.09 0.00 0.00 178.44 181.95 1h49 n ASN 426 N -3.26 7.79 -3.79 -0.43 3.02 -0.42 -0.93 115.26 117.23 1h49 n ASN 426 Ca 0.01 -3.16 -0.42 0.00 -0.03 0.00 0.00 54.58 50.97 1h49 n ASN 426 Cb 0.83 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.56 5.27 0.14 6.41 5.75 -1.26 -4.70 116.55 129.71 1h49 n ASP 427 Ca 0.60 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1h49 n ASP 427 Cb 0.30 -1.50 0.13 0.00 -1.03 0.00 0.00 41.12 39.02 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 5.65 0.00 -0.10 2.11 -1.99 -1.89 -2.09 116.97 118.66 1h49 h TYR 428 Ca 0.47 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.21 1h49 h TYR 428 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1h49 h TYR 428 CO 1.34 0.61 0.00 -0.22 -0.00 0.00 0.00 178.16 179.89 1h49 h LYS 429 N 0.00 0.03 -0.20 4.88 1.63 -1.99 -1.65 116.57 119.27 1h49 h LYS 429 Ca -0.01 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1h49 h LYS 429 Cb 1.25 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1h49 h LYS 429 CO 0.08 0.02 0.12 -0.09 -3.45 0.00 0.00 179.45 176.14 1h49 h ARG 430 N 0.04 0.25 -0.27 1.90 2.43 -1.90 -1.47 114.38 115.36 1h49 h ARG 430 Ca 0.04 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1h49 h ARG 430 Cb 0.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1h49 h ARG 430 CO -0.07 0.16 0.09 1.25 -1.51 0.00 0.00 179.97 179.89 1h49 h LEU 431 N 0.26 0.10 -0.71 3.80 5.85 -1.32 0.48 115.31 123.77 1h49 h LEU 431 Ca 0.08 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1h49 h LEU 431 Cb -0.01 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1h49 h LEU 431 CO -0.03 0.09 0.36 -0.78 -0.34 0.00 0.00 178.44 177.75 1h49 h ASP 432 N 0.22 0.91 -0.28 1.25 3.58 -1.22 -0.56 116.42 120.31 1h49 h ASP 432 Ca 0.12 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1h49 h ASP 432 Cb 0.09 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1h49 h ASP 432 CO -0.12 0.77 0.17 0.22 -2.88 0.00 0.00 179.24 177.39 1h49 h TYR 433 N 0.98 0.31 -0.21 0.28 5.03 -0.74 -1.70 116.97 120.92 1h49 h TYR 433 Ca 0.25 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 1h49 h TYR 433 Cb 0.08 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1h49 h TYR 433 CO 0.00 0.19 0.07 0.82 -1.32 0.00 0.00 178.16 177.93 1h49 h ILE 434 N 0.34 1.18 -0.61 1.81 2.04 -0.64 -2.16 117.51 119.47 1h49 h ILE 434 Ca 0.11 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1h49 h ILE 434 Cb -0.01 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1h49 h ILE 434 CO -0.04 0.18 0.33 1.56 0.00 0.00 0.00 178.15 180.17 1h49 h GLN 435 N 0.18 0.60 -0.55 2.37 4.20 -1.03 0.54 115.11 121.42 1h49 h GLN 435 Ca 0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1h49 h GLN 435 Cb 0.20 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1h49 h GLN 435 CO -0.00 0.40 -0.08 0.00 -0.67 0.00 0.00 178.83 178.47 1h49 h ARG 436 N 0.62 1.02 -0.15 1.46 3.08 -1.14 -0.21 114.38 119.06 1h49 h ARG 436 Ca 0.27 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1h49 h ARG 436 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1h49 h ARG 436 CO -0.17 1.05 -0.54 0.45 -1.07 0.00 0.00 179.97 179.68 1h49 h HIS 437 N 0.91 0.54 -0.44 3.04 3.86 -1.01 -1.08 115.15 120.98 1h49 h HIS 437 Ca 0.15 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 1h49 h HIS 437 Cb 0.64 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1h49 h HIS 437 CO 0.04 0.88 -0.22 0.82 0.86 0.00 0.00 177.93 180.31 1h49 h ILE 438 N 0.33 1.27 -0.52 2.45 2.04 -0.62 -2.53 117.51 119.93 1h49 h ILE 438 Ca 0.01 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1h49 h ILE 438 Cb 1.06 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1h49 h ILE 438 CO 0.10 0.46 0.33 0.00 0.00 0.00 0.00 178.15 179.04 1h49 h ALA 439 N 0.99 1.60 -0.20 1.87 0.00 -0.84 -1.71 119.26 120.98 1h49 h ALA 439 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1h49 h ALA 439 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h49 h ALA 439 CO 0.06 0.36 -0.29 1.15 0.00 0.00 0.00 179.25 180.54 1h49 h THR 440 N 0.71 1.27 -0.45 0.00 2.02 -0.80 -2.12 112.91 113.54 1h49 h THR 440 Ca 0.19 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.03 1h49 h THR 440 Cb -0.06 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1h49 h THR 440 CO -0.04 0.40 0.07 -0.07 0.37 0.00 0.00 175.52 176.25 1h49 h LEU 441 N 0.34 0.72 -0.37 2.58 3.38 -0.95 0.89 115.31 121.91 1h49 h LEU 441 Ca 0.05 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1h49 h LEU 441 Cb 0.68 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1h49 h LEU 441 CO 0.05 0.80 -0.20 0.50 0.09 0.00 0.00 178.44 179.68 1h49 h LYS 442 N 0.61 -0.14 -0.62 1.13 1.63 -1.22 0.45 116.57 118.41 1h49 h LYS 442 Ca 0.13 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1h49 h LYS 442 Cb 0.39 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1h49 h LYS 442 CO 0.01 -0.09 0.31 0.93 -3.45 0.00 0.00 179.45 177.16 1h49 h GLU 443 N -0.14 0.87 -0.09 1.90 5.08 -1.02 -2.45 114.58 118.73 1h49 h GLU 443 Ca 0.18 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1h49 h GLU 443 Cb 0.42 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1h49 h GLU 443 CO -0.45 0.67 -0.48 0.77 -1.00 0.00 0.00 179.01 178.51 1h49 h SER 444 N 0.87 0.58 -0.51 1.42 0.02 -0.33 -2.65 113.55 112.96 1h49 h SER 444 Ca 0.22 -0.65 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1h49 h SER 444 Cb 0.07 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 1h49 h SER 444 CO -0.03 1.14 0.12 0.40 -1.14 0.00 0.00 176.83 177.32 1h49 h ILE 445 N 0.07 0.74 -0.79 3.27 2.04 -0.88 -1.18 117.51 120.78 1h49 h ILE 445 Ca -0.03 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 65.84 1h49 h ILE 445 Cb 1.13 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1h49 h ILE 445 CO 0.10 0.05 0.42 0.44 0.00 0.00 0.00 178.15 179.15 1h49 h ASP 446 N 0.26 0.55 0.38 1.72 5.19 -1.43 -0.16 116.42 122.93 1h49 h ASP 446 Ca 0.25 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1h49 h ASP 446 Cb 0.33 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1h49 h ASP 446 CO -0.32 0.29 0.00 0.18 -3.12 0.00 0.00 179.24 176.28 1h49 n LEU 447 N -4.82 0.00 0.00 1.55 4.77 -0.83 -4.88 117.00 112.79 1h49 n LEU 447 Ca 0.14 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1h49 n LEU 447 Cb 0.32 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1h49 n LEU 447 CO 0.24 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1h49 n GLY 448 N 0.22 0.91 3.77 -0.72 0.00 -0.07 -5.08 105.19 104.22 1h49 n GLY 448 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1h49 n GLY 448 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h49 n SER 449 N 0.00 3.72 -1.82 1.61 2.88 -0.51 -4.90 113.62 114.59 1h49 n SER 449 Ca 0.00 1.22 -0.16 0.00 -1.33 0.00 0.00 58.87 58.60 1h49 n SER 449 Cb 0.00 -1.61 0.07 0.00 -0.75 0.00 0.00 64.21 61.92 1h49 n SER 449 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1h49 n ASN 450 N 0.41 4.99 -4.72 -3.46 5.15 -1.26 -4.45 115.26 111.92 1h49 n ASN 450 Ca 0.02 -3.04 -0.42 0.00 -0.60 0.00 0.00 54.58 50.54 1h49 n ASN 450 Cb 0.39 -0.86 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 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 -2.26 3.79 0.00 3.44 0.11 -1.26 -1.86 120.40 122.37 1h49 s VAL 451 Ca 0.34 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.74 1h49 s VAL 451 Cb 0.28 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1h49 s VAL 451 CO 0.03 0.14 0.26 0.00 -3.33 0.00 0.00 175.10 172.20 1h49 n GLN 452 N 3.47 2.75 -3.70 1.54 1.13 0.11 -4.88 117.38 117.79 1h49 n GLN 452 Ca 0.08 -0.26 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1h49 n GLN 452 Cb 0.45 -0.75 -0.00 0.00 0.11 0.00 0.00 30.24 30.04 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 -0.47 -0.31 -0.09 1.08 0.00 -1.23 -1.94 107.32 104.37 1h49 s GLY 453 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 1h49 s GLY 453 CO 0.00 0.64 0.20 -0.47 0.00 0.00 0.00 173.10 173.46 1h49 s TYR 454 N -2.61 -0.25 -0.16 1.90 5.04 0.10 -1.28 117.35 120.09 1h49 s TYR 454 Ca 0.15 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.44 1h49 s TYR 454 Cb 0.02 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1h49 s TYR 454 CO -0.01 -0.21 -0.19 -0.06 -1.34 0.00 0.00 175.55 173.74 1h49 s PHE 455 N 1.27 2.59 0.15 4.97 0.40 0.58 -0.49 117.98 127.45 1h49 s PHE 455 Ca -0.09 -1.48 -0.30 0.00 -0.60 0.00 0.00 56.93 54.45 1h49 s PHE 455 Cb -0.11 -1.81 -0.08 0.00 0.51 0.00 0.00 43.02 41.53 1h49 s PHE 455 CO -0.07 -0.74 1.29 0.00 0.70 0.00 0.00 175.22 176.39 1h49 s ALA 456 N 1.27 3.50 -0.18 5.36 0.00 -0.48 -2.70 121.76 128.53 1h49 s ALA 456 Ca 0.03 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1h49 s ALA 456 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1h49 s ALA 456 CO -0.11 -0.50 0.93 -0.46 0.00 0.00 0.00 175.76 175.62 1h49 s TRP 457 N 0.50 3.41 0.00 0.00 -0.11 0.52 -1.54 118.94 121.73 1h49 s TRP 457 Ca 0.58 1.38 0.00 0.00 1.22 0.00 0.00 56.10 59.29 1h49 s TRP 457 Cb -0.35 -3.13 0.00 0.00 -1.50 0.00 0.00 33.47 28.50 1h49 s TRP 457 CO 0.34 -0.31 0.00 0.43 -4.62 0.00 0.00 176.95 172.79 1h49 n SER 458 N 5.52 -1.58 -0.31 5.86 7.64 -0.76 -4.59 113.62 125.39 1h49 n SER 458 Ca 0.08 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.07 1h49 n SER 458 Cb 0.48 -0.79 0.25 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.40 -8.53 -3.43 6.46 -1.55 0.16 115.31 108.02 1h49 h LEU 459 Ca 0.00 0.25 -0.55 0.00 -0.12 0.00 0.00 57.88 57.45 1h49 h LEU 459 Cb 0.00 0.42 -0.25 0.00 -0.73 0.00 0.00 40.66 40.10 1h49 h LEU 459 CO 0.00 -0.28 -0.83 -0.76 -0.62 0.00 0.00 178.44 175.95 1h49 s LEU 460 N -10.90 2.19 0.21 2.25 1.43 -1.26 -1.62 118.68 110.98 1h49 s LEU 460 Ca -0.13 -0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.11 1h49 s LEU 460 Cb 0.27 -0.89 -0.13 0.00 0.03 0.00 0.00 46.19 45.46 1h49 s LEU 460 CO 0.77 0.12 1.58 0.47 0.23 0.00 0.00 176.35 179.52 1h49 n ASP 461 N 1.73 3.39 -1.91 2.29 10.43 -0.86 -3.65 116.55 127.97 1h49 n ASP 461 Ca -0.18 1.10 -0.07 0.00 2.57 0.00 0.00 54.79 58.22 1h49 n ASP 461 Cb 0.54 -1.50 -0.02 0.00 1.84 0.00 0.00 41.12 41.98 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 3.04 -0.57 -4.61 -2.24 2.04 -1.26 -4.71 115.26 106.94 1h49 n ASN 462 Ca 0.14 -1.87 -0.43 0.00 -0.44 0.00 0.00 54.58 51.98 1h49 n ASN 462 Cb 0.32 1.09 -0.02 0.00 -2.53 0.00 0.00 39.78 38.64 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 -3.87 2.59 -1.06 -2.53 5.36 -0.83 -4.64 117.98 112.99 1h49 s PHE 463 Ca 0.14 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.85 1h49 s PHE 463 Cb -0.00 -4.17 0.25 0.00 -0.34 0.00 0.00 43.02 38.76 1h49 s PHE 463 CO 0.10 -1.74 2.06 -1.91 -1.46 0.00 0.00 175.22 172.27 1h49 n GLU 464 N 7.74 4.76 0.00 10.12 4.07 0.41 -4.64 120.64 143.09 1h49 n GLU 464 Ca 0.15 -4.07 0.00 0.00 -0.06 0.00 0.00 57.16 53.18 1h49 n GLU 464 Cb 0.48 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 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 0.45 0.00 -0.31 4.31 7.02 -1.26 -1.05 117.44 126.61 1h49 n TRP 465 Ca 0.52 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 57.00 1h49 n TRP 465 Cb 0.27 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.29 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 0.98 0.00 -5.99 3.04 -1.90 -1.58 116.94 111.49 1h49 h PHE 466 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1h49 h PHE 466 Cb 0.00 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.19 1h49 h PHE 466 CO 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 178.31 176.81 1h49 h ALA 467 N 1.39 1.00 -0.95 2.41 0.00 -1.48 -0.46 119.26 121.17 1h49 h ALA 467 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1h49 h ALA 467 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h49 h ALA 467 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1h49 n GLY 468 N -0.39 3.42 1.04 0.00 0.00 -0.60 -1.87 105.19 106.78 1h49 n GLY 468 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 13.90 0.85 0.84 1.61 3.72 -1.26 -0.44 117.46 136.67 1h49 n PHE 469 Ca 0.00 -0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.15 1h49 n PHE 469 Cb 0.00 -0.11 0.51 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.76 0.38 -4.17 4.37 -2.24 -0.78 -4.63 114.28 107.96 1h49 n THR 470 Ca 0.17 0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.80 1h49 n THR 470 Cb 0.54 -0.70 -0.17 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.94 1.37 -0.40 -0.78 2.02 -1.26 -1.02 118.70 115.68 1h49 s GLU 471 Ca 0.13 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 1h49 s GLU 471 Cb 0.15 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 33.08 1h49 s GLU 471 CO 0.42 -0.14 0.26 1.03 0.02 0.00 0.00 175.26 176.85 1h49 s ARG 472 N 1.23 2.92 0.00 1.61 0.52 -0.26 -4.64 118.95 120.32 1h49 s ARG 472 Ca -0.05 -1.04 0.22 0.00 -0.52 0.00 0.00 55.73 54.34 1h49 s ARG 472 Cb -0.14 -3.89 -0.15 0.00 0.52 0.00 0.00 34.95 31.29 1h49 s ARG 472 CO -0.02 -0.73 0.97 0.66 0.02 0.00 0.00 175.30 176.19 1h49 n TYR 473 N 5.10 0.00 -1.71 -0.53 4.02 -1.26 -1.26 117.16 121.52 1h49 n TYR 473 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.38 1h49 n TYR 473 Cb 0.47 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.82 1h49 n TYR 473 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h49 n GLY 474 N 1.47 0.51 0.14 2.72 0.00 -1.24 -4.32 105.19 104.46 1h49 n GLY 474 Ca 0.06 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1h49 n GLY 474 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1h49 h ILE 475 N 1.50 0.00 -3.30 -0.61 3.07 -0.65 -3.44 117.51 114.08 1h49 h ILE 475 Ca -0.49 -0.68 -0.67 0.00 1.55 0.00 0.00 64.86 64.57 1h49 h ILE 475 Cb 1.31 1.59 -0.30 0.00 -0.27 0.00 0.00 36.82 39.15 1h49 h ILE 475 CO 0.57 0.00 -0.82 -0.69 -1.05 0.00 0.00 178.15 176.16 1h49 s VAL 476 N -3.16 2.58 0.39 0.16 1.01 -0.64 -2.01 120.40 118.72 1h49 s VAL 476 Ca 0.08 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1h49 s VAL 476 Cb 0.10 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1h49 s VAL 476 CO 0.65 0.53 1.16 -0.47 0.00 0.00 0.00 175.10 176.97 1h49 s TYR 477 N 0.54 3.10 -0.19 5.22 5.04 0.68 -2.04 117.35 129.70 1h49 s TYR 477 Ca -0.11 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 1h49 s TYR 477 Cb -0.16 -3.38 0.03 0.00 0.35 0.00 0.00 41.96 38.80 1h49 s TYR 477 CO 0.04 -1.26 -0.15 0.08 -1.34 0.00 0.00 175.55 172.92 1h49 s VAL 478 N -1.41 1.88 -0.80 3.14 1.01 -1.26 -1.65 120.40 121.31 1h49 s VAL 478 Ca 0.56 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1h49 s VAL 478 Cb -0.30 -1.81 0.12 0.00 0.00 0.00 0.00 36.38 34.38 1h49 s VAL 478 CO 0.38 0.35 0.99 -0.62 0.00 0.00 0.00 175.10 176.20 1h49 s ASP 479 N 1.32 6.44 0.47 3.32 3.68 0.04 -4.88 116.67 127.06 1h49 s ASP 479 Ca 0.01 -1.70 0.23 0.00 2.13 0.00 0.00 52.55 53.22 1h49 s ASP 479 Cb -0.15 -2.38 1.14 0.00 -1.45 0.00 0.00 42.92 40.09 1h49 s ASP 479 CO -0.10 -1.14 1.95 0.03 0.13 0.00 0.00 175.17 176.04 1h49 h ARG 480 N 9.02 0.00 0.00 4.34 3.08 -1.91 -1.19 114.38 127.72 1h49 h ARG 480 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 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 1.10 0.21 -0.20 -0.91 -1.07 0.00 0.00 179.97 179.10 1h49 h ASN 481 N 0.00 0.00 0.00 7.04 2.35 -2.00 -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 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1h49 h ASN 481 CO 0.03 0.20 0.00 0.59 -1.65 0.00 0.00 177.43 176.60 1h49 n ASN 482 N -3.96 0.00 -2.75 5.81 4.13 -1.05 -4.96 115.26 112.47 1h49 n ASN 482 Ca -0.02 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.93 1h49 n ASN 482 Cb 0.29 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 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 5.54 -3.77 6.41 3.02 -1.25 -4.82 115.26 120.39 1h49 n ASN 483 Ca 0.00 -3.74 -0.23 0.00 -0.03 0.00 0.00 54.58 50.58 1h49 n ASN 483 Cb 0.00 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.65 2.64 -0.01 0.00 2.01 -1.06 -4.56 115.64 111.02 1h49 s THR 485 Ca 0.11 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 1h49 s THR 485 Cb -0.05 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1h49 s THR 485 CO 0.82 0.08 0.46 -0.13 -0.69 0.00 0.00 174.62 175.16 1h49 s ARG 486 N -0.11 4.06 -0.05 4.92 3.00 -1.26 -0.78 118.95 128.74 1h49 s ARG 486 Ca 0.61 0.49 -0.00 0.00 0.00 0.00 0.00 55.73 56.83 1h49 s ARG 486 Cb -0.42 -3.27 0.03 0.00 0.00 0.00 0.00 34.95 31.29 1h49 s ARG 486 CO 0.41 0.58 -0.01 0.71 0.00 0.00 0.00 175.30 176.99 1h49 s TYR 487 N -0.76 0.61 0.25 -0.53 1.51 -0.66 -4.97 117.35 112.80 1h49 s TYR 487 Ca 0.25 -0.14 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 1h49 s TYR 487 Cb -0.17 -0.67 -0.12 0.00 -0.11 0.00 0.00 41.96 40.89 1h49 s TYR 487 CO 0.14 -0.24 1.67 -1.33 -1.11 0.00 0.00 175.55 174.67 1h49 n MET 488 N 4.62 2.77 -2.48 -0.62 2.81 -1.26 -0.23 117.12 122.72 1h49 n MET 488 Ca -0.16 0.99 -0.24 0.00 -1.81 0.00 0.00 57.70 56.48 1h49 n MET 488 Cb 0.50 -2.81 0.08 0.00 -0.71 0.00 0.00 33.22 30.28 1h49 n MET 488 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1h49 s LYS 489 N 0.31 2.04 0.32 0.03 1.02 -0.85 -4.84 119.74 117.76 1h49 s LYS 489 Ca 0.69 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1h49 s LYS 489 Cb -0.49 -2.32 0.53 0.00 -0.52 0.00 0.00 37.83 35.02 1h49 s LYS 489 CO 0.40 -1.20 1.97 0.93 -0.92 0.00 0.00 175.35 176.53 1h49 h GLU 490 N -0.40 0.98 -0.42 1.68 4.39 -1.33 -1.73 114.58 117.75 1h49 h GLU 490 Ca -0.41 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.27 1h49 h GLU 490 Cb 1.29 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 1h49 h GLU 490 CO 0.49 0.65 0.20 0.66 -1.16 0.00 0.00 179.01 179.85 1h49 h SER 491 N 1.01 0.29 -0.75 1.42 4.64 -1.83 -0.19 113.55 118.14 1h49 h SER 491 Ca 0.30 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1h49 h SER 491 Cb -0.03 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1h49 h SER 491 CO -0.08 0.21 0.34 0.00 -0.87 0.00 0.00 176.83 176.44 1h49 h ALA 492 N 1.23 1.17 -0.30 5.18 0.00 -1.49 -1.31 119.26 123.73 1h49 h ALA 492 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1h49 h ALA 492 Cb 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1h49 h ALA 492 CO -0.13 0.62 -0.13 0.87 0.00 0.00 0.00 179.25 180.48 1h49 h LYS 493 N 1.09 0.52 -0.27 0.00 1.57 -0.63 -1.41 116.57 117.44 1h49 h LYS 493 Ca 0.26 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1h49 h LYS 493 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1h49 h LYS 493 CO -0.03 0.64 -0.51 2.35 -0.57 0.00 0.00 179.45 181.33 1h49 h TRP 494 N 0.48 1.03 -0.84 -1.35 7.01 -0.61 -2.59 115.95 119.07 1h49 h TRP 494 Ca 0.09 -0.37 -0.01 0.00 2.11 0.00 0.00 58.89 60.71 1h49 h TRP 494 Cb 0.51 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.34 1h49 h TRP 494 CO 0.02 1.18 0.49 -0.07 -2.79 0.00 0.00 178.44 177.27 1h49 h LEU 495 N 0.58 1.02 0.17 0.65 3.38 -1.02 0.57 115.31 120.66 1h49 h LEU 495 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h49 h LEU 495 Cb 1.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1h49 h LEU 495 CO 0.11 0.79 -0.11 0.50 0.09 0.00 0.00 178.44 179.83 1h49 h LYS 496 N 1.16 -0.26 -0.58 1.13 3.64 -1.18 0.53 116.57 121.00 1h49 h LYS 496 Ca 0.30 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1h49 h LYS 496 Cb -0.02 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 1h49 h LYS 496 CO -0.05 -0.18 0.27 1.49 -2.27 0.00 0.00 179.45 178.71 1h49 h GLU 497 N -0.27 0.49 0.33 1.90 4.81 -1.11 -1.69 114.58 119.03 1h49 h GLU 497 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1h49 h GLU 497 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1h49 h GLU 497 CO 0.01 0.32 -0.16 0.35 -0.73 0.00 0.00 179.01 178.81 1h49 h PHE 498 N 0.50 -0.41 -0.16 0.92 3.04 -0.63 -2.21 116.94 117.99 1h49 h PHE 498 Ca 0.27 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1h49 h PHE 498 Cb 0.24 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 1h49 h PHE 498 CO -0.12 -0.21 -0.19 -0.91 -2.02 0.00 0.00 178.31 174.87 1h49 h ASN 499 N -0.52 0.26 -0.02 0.41 2.35 -0.78 -3.18 115.58 114.11 1h49 h ASN 499 Ca -0.05 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1h49 h ASN 499 Cb 0.39 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1h49 h ASN 499 CO 0.07 0.47 -0.41 0.35 -1.65 0.00 0.00 177.43 176.27 1h49 n THR 500 N -4.21 0.00 -2.09 2.81 -2.24 -0.65 -4.65 114.28 103.25 1h49 n THR 500 Ca -0.01 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 1h49 n THR 500 Cb 0.32 1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1h49 n THR 500 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h49 n ALA 501 N 0.13 6.02 0.00 6.98 0.00 -0.83 -5.05 120.51 127.75 1h49 n ALA 501 Ca 0.09 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1h49 n ALA 501 Cb 0.47 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1h49 n ALA 501 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86