#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6u s ALA 2 N 0.00 3.28 0.32 4.61 0.00 -1.26 -4.95 121.76 123.76 3h6u s ALA 2 Ca 0.00 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 3h6u s ALA 2 Cb 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3h6u s ALA 2 CO 0.00 -0.76 1.43 -0.80 0.00 0.00 0.00 175.76 175.63 3h6u s ASN 3 N -0.75 6.56 0.27 0.00 0.01 -1.26 -5.01 114.94 114.75 3h6u s ASN 3 Ca 0.56 2.83 0.09 0.00 -0.71 0.00 0.00 52.86 55.63 3h6u s ASN 3 Cb -0.37 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.60 3h6u s ASN 3 CO 0.48 -0.72 0.04 -0.75 -1.51 0.00 0.00 177.10 174.63 3h6u s LYS 4 N -1.43 2.41 -0.08 -0.60 2.20 -1.26 -5.08 119.74 115.91 3h6u s LYS 4 Ca 0.54 -1.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 3h6u s LYS 4 Cb -0.43 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 3h6u s LYS 4 CO 0.54 0.36 1.26 0.99 -0.36 0.00 0.00 175.35 178.14 3h6u s THR 5 N -2.30 4.16 -0.07 3.43 2.01 -1.26 -4.64 115.64 116.97 3h6u s THR 5 Ca 0.32 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 3h6u s THR 5 Cb -0.07 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3h6u s THR 5 CO 0.21 -0.04 1.22 -0.69 -0.69 0.00 0.00 174.62 174.63 3h6u s VAL 6 N 2.63 4.23 -0.38 3.82 1.01 0.31 -4.84 120.40 127.18 3h6u s VAL 6 Ca 0.57 1.55 -0.24 0.00 0.00 0.00 0.00 61.98 63.87 3h6u s VAL 6 Cb -0.25 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3h6u s VAL 6 CO 0.21 -0.02 0.82 -0.69 0.00 0.00 0.00 175.10 175.42 3h6u s VAL 7 N 2.38 4.68 -0.21 2.92 1.01 -1.26 -0.52 120.40 129.41 3h6u s VAL 7 Ca 0.56 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 3h6u s VAL 7 Cb -0.25 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3h6u s VAL 7 CO 0.21 -0.50 0.17 -0.69 0.00 0.00 0.00 175.10 174.30 3h6u s VAL 8 N 3.23 5.37 -0.12 2.92 1.01 0.01 -0.62 120.40 132.21 3h6u s VAL 8 Ca 0.33 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 3h6u s VAL 8 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3h6u s VAL 8 CO 0.18 0.40 0.09 0.28 0.00 0.00 0.00 175.10 176.05 3h6u s THR 9 N 0.61 5.08 0.19 3.92 -1.32 0.58 -0.32 115.64 124.39 3h6u s THR 9 Ca 0.10 0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.61 3h6u s THR 9 Cb -0.12 -3.21 0.01 0.00 -1.51 0.00 0.00 72.50 67.67 3h6u s THR 9 CO 0.01 0.59 0.28 1.07 -2.21 0.00 0.00 174.62 174.36 3h6u n THR 10 N 2.27 0.00 -3.96 5.08 5.66 -0.12 -2.38 114.28 120.82 3h6u n THR 10 Ca -0.19 -0.92 -0.12 0.00 -3.05 0.00 0.00 64.05 59.78 3h6u n THR 10 Cb 0.54 0.58 -0.13 0.00 -1.55 0.00 0.00 70.33 69.77 3h6u n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3h6u s ILE 11 N -2.63 0.14 -0.75 1.09 2.07 -1.26 -0.09 121.20 119.78 3h6u s ILE 11 Ca 0.15 -0.38 -0.26 0.00 -1.41 0.00 0.00 60.65 58.75 3h6u s ILE 11 Cb -0.01 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.39 3h6u s ILE 11 CO 0.11 -0.15 1.66 -0.76 -1.91 0.00 0.00 174.94 173.89 3h6u s LEU 12 N -0.56 3.26 -0.09 8.50 1.43 -1.26 -4.32 118.68 125.63 3h6u s LEU 12 Ca -0.05 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 3h6u s LEU 12 Cb -0.04 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.68 3h6u s LEU 12 CO -0.00 -2.19 0.17 -0.70 0.23 0.00 0.00 176.35 173.86 3h6u s GLU 13 N 6.42 0.05 0.26 1.70 2.56 -0.84 -4.99 118.70 123.85 3h6u s GLU 13 Ca 0.56 0.57 -0.29 0.00 0.00 0.00 0.00 54.97 55.81 3h6u s GLU 13 Cb -0.09 -0.25 -0.09 0.00 2.00 0.00 0.00 34.13 35.70 3h6u s GLU 13 CO 0.11 -0.30 1.00 -1.12 -0.56 0.00 0.00 175.26 174.40 3h6u s SER 14 N 2.25 7.46 -0.36 -1.70 0.01 -1.26 -0.47 113.70 119.63 3h6u s SER 14 Ca 0.02 2.07 0.08 0.00 1.31 0.00 0.00 55.95 59.43 3h6u s SER 14 Cb -0.12 -2.61 0.69 0.00 0.21 0.00 0.00 66.02 64.18 3h6u s SER 14 CO -0.06 0.01 1.79 -0.81 0.41 0.00 0.00 173.24 174.59 3h6u n PRO 15 N 1.27 2.99 -0.00 12.44 -0.04 -1.26 -4.92 135.00 145.48 3h6u n PRO 15 Ca -0.01 -3.07 -0.13 0.00 -0.04 0.00 0.00 63.50 60.25 3h6u n PRO 15 Cb 0.46 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 3h6u n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h6u h TYR 16 N 1.89 -0.02 -2.99 0.54 0.05 -1.10 -0.29 116.97 115.03 3h6u h TYR 16 Ca 0.37 -0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.90 3h6u h TYR 16 Cb 2.41 0.01 -0.34 0.00 1.01 0.00 0.00 36.73 39.81 3h6u h TYR 16 CO 1.33 0.46 -0.59 0.08 -1.05 0.00 0.00 178.16 178.39 3h6u s VAL 17 N -4.22 -0.31 0.04 -2.88 1.01 -0.52 -0.48 120.40 113.04 3h6u s VAL 17 Ca -0.16 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3h6u s VAL 17 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3h6u s VAL 17 CO 0.66 0.13 -0.07 -0.04 0.00 0.00 0.00 175.10 175.78 3h6u s MET 18 N 2.28 0.49 0.06 2.72 -1.94 0.55 -2.00 119.30 121.47 3h6u s MET 18 Ca 0.02 -0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 52.98 3h6u s MET 18 Cb -0.12 -0.24 -0.06 0.00 2.01 0.00 0.00 34.83 36.42 3h6u s MET 18 CO -0.07 0.04 1.19 -1.64 -0.01 0.00 0.00 175.02 174.53 3h6u s MET 19 N -1.50 4.44 0.58 2.03 -1.94 -1.26 -1.28 119.30 120.36 3h6u s MET 19 Ca -0.10 1.77 -0.19 0.00 -1.71 0.00 0.00 55.69 55.45 3h6u s MET 19 Cb -0.10 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3h6u s MET 19 CO 0.00 -0.25 1.21 0.15 -0.01 0.00 0.00 175.02 176.12 3h6u s LYS 20 N 1.02 3.04 0.40 2.03 1.02 -0.31 -4.87 119.74 122.07 3h6u s LYS 20 Ca 0.58 1.82 0.17 0.00 0.02 0.00 0.00 55.97 58.56 3h6u s LYS 20 Cb -0.29 -1.97 1.05 0.00 -0.52 0.00 0.00 37.83 36.10 3h6u s LYS 20 CO 0.29 -1.15 1.81 -0.22 -0.92 0.00 0.00 175.35 175.17 3h6u h LYS 21 N 0.99 0.43 -0.71 1.68 3.64 -1.94 -1.04 116.57 119.62 3h6u h LYS 21 Ca -0.50 -0.03 -0.40 0.00 -1.27 0.00 0.00 60.65 58.45 3h6u h LYS 21 Cb 1.29 -0.10 -0.23 0.00 -0.41 0.00 0.00 32.23 32.79 3h6u h LYS 21 CO 0.56 0.28 0.29 0.27 -2.27 0.00 0.00 179.45 178.58 3h6u n ASN 22 N -4.58 3.69 -0.04 4.20 6.94 -1.26 -4.74 115.26 119.48 3h6u n ASN 22 Ca 0.22 -3.72 0.15 0.00 -0.02 0.00 0.00 54.58 51.21 3h6u n ASN 22 Cb 0.76 -0.74 0.58 0.00 -2.36 0.00 0.00 39.78 38.02 3h6u n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3h6u h HIS 23 N 1.17 0.25 0.00 -2.53 2.07 -1.45 0.01 115.15 114.67 3h6u h HIS 23 Ca 0.45 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3h6u h HIS 23 Cb 2.07 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.97 3h6u h HIS 23 CO 1.31 0.11 0.00 0.93 -3.07 0.00 0.00 177.93 177.21 3h6u h GLU 24 N 0.23 0.00 -0.01 5.12 4.39 -1.85 -0.78 114.58 121.68 3h6u h GLU 24 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3h6u h GLU 24 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3h6u h GLU 24 CO -0.05 0.00 -0.28 -1.33 -1.16 0.00 0.00 179.01 176.19 3h6u n MET 25 N -2.96 0.77 -4.19 2.33 2.81 -0.01 -4.95 117.12 110.91 3h6u n MET 25 Ca -0.01 -0.45 -0.25 0.00 -1.81 0.00 0.00 57.70 55.18 3h6u n MET 25 Cb 0.19 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.13 3h6u n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h6u s LEU 26 N -2.54 3.09 0.05 4.03 1.43 -0.30 -5.13 118.68 119.31 3h6u s LEU 26 Ca 0.23 -1.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 3h6u s LEU 26 Cb 0.19 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3h6u s LEU 26 CO 0.54 -0.52 -0.16 -1.61 0.23 0.00 0.00 176.35 174.83 3h6u s GLU 27 N -3.87 1.03 4.17 1.70 0.41 -1.26 -4.82 118.70 116.05 3h6u s GLU 27 Ca 0.40 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 3h6u s GLU 27 Cb 0.04 -1.08 0.00 0.00 -1.78 0.00 0.00 34.13 31.31 3h6u s GLU 27 CO 0.22 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 3h6u n GLY 28 N 1.75 2.55 0.37 -1.39 0.00 -1.26 -2.54 105.19 104.67 3h6u n GLY 28 Ca -0.18 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 45.73 3h6u n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h6u h ASN 29 N 5.45 0.13 0.00 1.61 2.35 -1.93 -1.39 115.58 121.80 3h6u h ASN 29 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3h6u h ASN 29 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3h6u h ASN 29 CO 0.00 0.07 0.02 -0.33 -1.65 0.00 0.00 177.43 175.54 3h6u h GLU 30 N 0.14 0.00 0.00 0.81 5.08 -1.90 -2.10 114.58 116.61 3h6u h GLU 30 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3h6u h GLU 30 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3h6u h GLU 30 CO -0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 179.01 177.82 3h6u h ARG 31 N 0.00 0.00 -6.25 2.33 3.08 -1.38 -3.46 114.38 108.70 3h6u h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3h6u h ARG 31 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 3h6u h ARG 31 CO 0.00 0.15 -0.63 0.71 -1.07 0.00 0.00 179.97 179.14 3h6u s TYR 32 N -4.18 2.83 0.06 3.04 2.02 -0.79 -1.16 117.35 119.16 3h6u s TYR 32 Ca -0.03 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 3h6u s TYR 32 Cb 0.13 -1.30 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 3h6u s TYR 32 CO 0.61 0.56 0.18 -1.83 -1.57 0.00 0.00 175.55 173.50 3h6u s GLU 33 N -3.44 0.73 0.00 -0.62 -1.05 -0.40 -4.84 118.70 109.07 3h6u s GLU 33 Ca 0.30 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 3h6u s GLU 33 Cb -0.08 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3h6u s GLU 33 CO 0.20 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.61 3h6u n GLY 34 N 0.43 2.09 0.20 -3.83 0.00 -1.26 -0.33 105.19 102.49 3h6u n GLY 34 Ca -0.17 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 3h6u n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h6u h TYR 35 N 0.00 0.29 0.00 1.61 5.03 -0.51 -1.17 116.97 122.21 3h6u h TYR 35 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3h6u h TYR 35 Cb 0.00 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 3h6u h TYR 35 CO 0.00 0.09 -0.07 0.00 -1.32 0.00 0.00 178.16 176.86 3h6u h VAL 37 N 0.00 1.40 -0.70 0.00 2.07 -1.31 -0.19 116.25 117.52 3h6u h VAL 37 Ca -0.00 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 3h6u h VAL 37 Cb 0.85 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 3h6u h VAL 37 CO 0.01 0.37 0.22 0.44 0.02 0.00 0.00 177.57 178.63 3h6u h ASP 38 N -0.31 1.03 -0.70 0.57 3.32 -1.15 -2.48 116.42 116.70 3h6u h ASP 38 Ca 0.01 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3h6u h ASP 38 Cb 0.65 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3h6u h ASP 38 CO 0.02 0.96 0.30 0.25 -1.72 0.00 0.00 179.24 179.05 3h6u h LEU 39 N 1.04 0.95 -0.64 1.55 5.85 -1.04 -2.01 115.31 121.01 3h6u h LEU 39 Ca 0.23 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3h6u h LEU 39 Cb 0.30 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3h6u h LEU 39 CO -0.01 0.85 0.38 0.00 -0.34 0.00 0.00 178.44 179.33 3h6u h ALA 40 N 1.14 0.84 -0.46 1.25 0.00 -0.73 0.07 119.26 121.37 3h6u h ALA 40 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h6u h ALA 40 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h6u h ALA 40 CO -0.02 0.12 0.28 0.00 0.00 0.00 0.00 179.25 179.62 3h6u h ALA 41 N 1.29 0.58 0.03 0.00 0.00 -1.09 -0.49 119.26 119.58 3h6u h ALA 41 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h6u h ALA 41 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h6u h ALA 41 CO -0.12 0.06 -0.01 0.93 0.00 0.00 0.00 179.25 180.10 3h6u h GLU 42 N 0.61 -0.04 -0.32 0.00 4.39 -0.78 -1.53 114.58 116.91 3h6u h GLU 42 Ca 0.16 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.89 3h6u h GLU 42 Cb -0.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3h6u h GLU 42 CO -0.03 0.08 0.15 0.82 -1.16 0.00 0.00 179.01 178.86 3h6u h ILE 43 N -0.15 0.97 -0.74 3.13 1.08 -0.88 -1.49 117.51 119.43 3h6u h ILE 43 Ca -0.00 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3h6u h ILE 43 Cb 0.14 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 3h6u h ILE 43 CO 0.01 0.06 0.45 0.00 -0.69 0.00 0.00 178.15 177.97 3h6u h ALA 44 N 1.17 0.99 -0.47 1.87 0.00 -1.00 -0.51 119.26 121.32 3h6u h ALA 44 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h6u h ALA 44 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h6u h ALA 44 CO -0.11 0.19 0.14 -0.22 0.00 0.00 0.00 179.25 179.25 3h6u h LYS 45 N 0.85 0.73 0.00 0.00 3.64 -0.83 0.11 116.57 121.07 3h6u h LYS 45 Ca 0.31 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3h6u h LYS 45 Cb 0.11 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3h6u h LYS 45 CO -0.15 0.71 -0.11 0.45 -2.27 0.00 0.00 179.45 178.08 3h6u h HIS 46 N 0.62 0.00 0.00 1.91 3.86 -0.88 -3.06 115.15 117.60 3h6u h HIS 46 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3h6u h HIS 46 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3h6u h HIS 46 CO 0.02 0.11 -1.00 0.00 0.86 0.00 0.00 177.93 177.92 3h6u n GLY 48 N 1.45 0.32 3.28 0.00 0.00 0.33 -5.06 105.19 105.52 3h6u n GLY 48 Ca 0.03 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 3h6u n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6u s PHE 49 N -2.82 1.54 0.13 1.61 -0.12 -0.81 -5.05 117.98 112.46 3h6u s PHE 49 Ca 0.12 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 3h6u s PHE 49 Cb -0.05 -0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 3h6u s PHE 49 CO 0.15 0.22 0.17 -1.59 -0.05 0.00 0.00 175.22 174.12 3h6u s LYS 50 N -3.04 3.10 0.22 1.99 -2.85 -1.26 -4.56 119.74 113.34 3h6u s LYS 50 Ca 0.14 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 54.35 3h6u s LYS 50 Cb -0.03 -2.79 -0.03 0.00 -2.06 0.00 0.00 37.83 32.92 3h6u s LYS 50 CO 0.04 0.53 0.26 1.52 0.10 0.00 0.00 175.35 177.80 3h6u s TYR 51 N -1.64 0.87 -0.12 1.78 1.13 -1.26 -0.53 117.35 117.58 3h6u s TYR 51 Ca 0.32 -1.14 -0.01 0.00 -1.41 0.00 0.00 57.07 54.84 3h6u s TYR 51 Cb -0.11 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 3h6u s TYR 51 CO 0.25 -0.77 -0.06 0.21 -2.51 0.00 0.00 175.55 172.67 3h6u s LYS 52 N -4.10 1.37 0.05 -3.49 2.20 0.32 -4.87 119.74 111.23 3h6u s LYS 52 Ca 0.33 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 3h6u s LYS 52 Cb 0.04 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.71 3h6u s LYS 52 CO 0.11 -0.31 1.03 -0.51 -0.36 0.00 0.00 175.35 175.31 3h6u s LEU 53 N 1.73 4.41 -0.00 5.43 1.43 -1.26 -0.81 118.68 129.61 3h6u s LEU 53 Ca 0.04 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3h6u s LEU 53 Cb -0.13 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3h6u s LEU 53 CO -0.08 -0.26 -0.09 0.42 0.23 0.00 0.00 176.35 176.58 3h6u s THR 54 N 0.69 0.69 -0.14 5.49 -4.23 0.56 -4.81 115.64 113.89 3h6u s THR 54 Ca 0.52 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.40 3h6u s THR 54 Cb -0.24 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 3h6u s THR 54 CO 0.29 0.16 0.61 -0.63 -0.54 0.00 0.00 174.62 174.51 3h6u s ILE 55 N -0.28 5.07 -0.08 2.99 -1.09 -1.26 -0.95 121.20 125.61 3h6u s ILE 55 Ca 0.03 1.19 -0.40 0.00 -2.23 0.00 0.00 60.65 59.24 3h6u s ILE 55 Cb -0.04 -3.93 -0.18 0.00 -1.58 0.00 0.00 42.46 36.73 3h6u s ILE 55 CO -0.00 0.20 1.36 0.55 -1.23 0.00 0.00 174.94 175.82 3h6u n VAL 56 N 4.21 0.05 -0.17 2.92 3.14 0.88 -4.85 118.33 124.50 3h6u n VAL 56 Ca -0.03 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.33 3h6u n VAL 56 Cb 0.51 -0.61 0.06 0.00 -1.06 0.00 0.00 33.84 32.74 3h6u n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3h6u h GLY 57 N 4.61 0.50 -0.84 7.55 0.00 -1.93 -2.25 103.07 110.70 3h6u h GLY 57 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3h6u h GLY 57 CO 0.80 -0.18 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3h6u n ASP 58 N -5.29 1.74 -1.87 0.19 5.68 -1.26 -4.94 116.55 110.80 3h6u n ASP 58 Ca 0.06 -1.69 -0.19 0.00 -0.50 0.00 0.00 54.79 52.47 3h6u n ASP 58 Cb 0.29 -0.09 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 3h6u n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h6u n GLY 59 N 1.16 0.46 3.62 6.12 0.00 -0.85 -4.97 105.19 110.72 3h6u n GLY 59 Ca 0.17 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3h6u n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6u s LYS 60 N -4.42 2.20 -0.09 1.61 1.02 -1.26 -4.99 119.74 113.81 3h6u s LYS 60 Ca 0.00 -1.46 -0.14 0.00 0.02 0.00 0.00 55.97 54.39 3h6u s LYS 60 Cb 0.00 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 3h6u s LYS 60 CO 0.00 0.36 0.47 1.88 -0.92 0.00 0.00 175.35 177.14 3h6u h TYR 61 N 1.99 -0.11 0.00 3.18 0.05 -1.87 -2.11 116.97 118.10 3h6u h TYR 61 Ca -0.44 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3h6u h TYR 61 Cb 1.25 0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3h6u h TYR 61 CO 0.70 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 178.48 3h6u n GLY 62 N 1.29 2.98 3.19 3.88 0.00 -0.92 -0.92 105.19 114.69 3h6u n GLY 62 Ca -0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3h6u n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6u s ALA 63 N 0.00 -0.45 -0.21 4.61 0.00 -1.25 -4.62 121.76 119.84 3h6u s ALA 63 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3h6u s ALA 63 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 3h6u s ALA 63 CO 0.00 -0.34 0.12 0.50 0.00 0.00 0.00 175.76 176.04 3h6u s ARG 64 N -2.32 4.11 -0.02 0.00 3.52 -1.26 -1.66 118.95 121.31 3h6u s ARG 64 Ca -0.07 -0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 3h6u s ARG 64 Cb -0.02 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3h6u s ARG 64 CO -0.02 0.22 1.54 0.34 -0.81 0.00 0.00 175.30 176.57 3h6u s ASP 65 N 0.58 6.74 0.59 -2.12 -1.08 -0.50 -4.88 116.67 115.99 3h6u s ASP 65 Ca 0.07 2.20 0.29 0.00 -0.52 0.00 0.00 52.55 54.59 3h6u s ASP 65 Cb -0.12 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.28 3h6u s ASP 65 CO 0.00 -0.84 1.91 0.00 0.52 0.00 0.00 175.17 176.77 3h6u h ALA 66 N 8.63 2.15 0.00 3.66 0.00 -1.96 0.48 119.26 132.22 3h6u h ALA 66 Ca -0.38 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3h6u h ALA 66 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3h6u h ALA 66 CO 0.93 -0.68 -1.17 -0.25 0.00 0.00 0.00 179.25 178.08 3h6u n ASP 67 N -3.72 1.91 0.23 0.00 8.00 -1.26 -4.55 116.55 117.16 3h6u n ASP 67 Ca 0.08 0.41 0.12 0.00 0.71 0.00 0.00 54.79 56.11 3h6u n ASP 67 Cb 0.64 -0.80 0.39 0.00 -0.02 0.00 0.00 41.12 41.33 3h6u n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3h6u h THR 68 N -1.00 0.20 -0.47 -3.53 1.35 -1.97 -3.46 112.91 104.03 3h6u h THR 68 Ca -0.15 -0.98 -0.20 0.00 -0.55 0.00 0.00 66.41 64.53 3h6u h THR 68 Cb 1.01 1.83 -0.08 0.00 -1.73 0.00 0.00 68.15 69.18 3h6u h THR 68 CO -0.09 0.09 -0.18 0.29 -0.25 0.00 0.00 175.52 175.38 3h6u n LYS 69 N -3.17 -1.12 -3.08 4.72 4.76 0.17 -4.97 118.16 115.48 3h6u n LYS 69 Ca 0.02 0.80 -0.39 0.00 -2.87 0.00 0.00 58.31 55.86 3h6u n LYS 69 Cb 0.45 -4.88 -0.05 0.00 -1.84 0.00 0.00 35.03 28.71 3h6u n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h6u s ILE 70 N -2.15 4.87 0.09 -0.18 1.01 -1.25 -4.69 121.20 118.90 3h6u s ILE 70 Ca 0.00 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 3h6u s ILE 70 Cb 0.00 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 3h6u s ILE 70 CO 0.00 0.36 0.62 0.26 0.00 0.00 0.00 174.94 176.18 3h6u s TRP 71 N 0.09 3.83 0.06 3.97 0.52 -1.26 -1.41 118.94 124.74 3h6u s TRP 71 Ca 0.35 1.36 0.00 0.00 0.02 0.00 0.00 56.10 57.84 3h6u s TRP 71 Cb -0.19 -2.57 0.00 0.00 -1.15 0.00 0.00 33.47 29.56 3h6u s TRP 71 CO 0.20 0.56 0.02 0.27 0.02 0.00 0.00 176.95 178.02 3h6u n ASN 72 N 1.71 1.67 -0.05 2.95 0.23 -0.66 -4.34 115.26 116.77 3h6u n ASN 72 Ca -0.09 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 3h6u n ASN 72 Cb 0.50 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3h6u n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h6u n GLY 73 N 4.31 0.74 0.32 4.83 0.00 -1.26 -1.37 105.19 112.76 3h6u n GLY 73 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 3h6u n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h6u h MET 74 N 0.00 0.84 -0.71 1.61 2.86 -0.30 -1.94 114.93 117.29 3h6u h MET 74 Ca 0.00 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3h6u h MET 74 Cb 0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3h6u h MET 74 CO 0.00 0.66 0.46 0.28 1.06 0.00 0.00 176.91 179.37 3h6u h VAL 75 N 0.83 1.14 -0.69 -2.22 2.07 -1.53 -2.16 116.25 113.69 3h6u h VAL 75 Ca 0.20 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3h6u h VAL 75 Cb 0.11 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3h6u h VAL 75 CO -0.02 0.17 0.15 1.23 0.02 0.00 0.00 177.57 179.11 3h6u h GLY 76 N 0.91 1.21 1.65 2.17 0.00 -0.53 -0.83 103.07 107.65 3h6u h GLY 76 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3h6u h GLY 76 CO -0.08 0.73 0.22 0.83 0.00 0.00 0.00 176.54 178.24 3h6u h GLU 77 N 1.06 0.47 0.01 4.80 5.08 -0.77 -0.21 114.58 125.02 3h6u h GLU 77 Ca 0.21 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3h6u h GLU 77 Cb 0.40 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3h6u h GLU 77 CO 0.01 0.32 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.80 3h6u h LEU 78 N 0.48 0.40 -0.99 1.33 3.38 -1.03 0.43 115.31 119.31 3h6u h LEU 78 Ca 0.13 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 3h6u h LEU 78 Cb -0.04 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3h6u h LEU 78 CO -0.03 1.13 0.59 0.58 0.09 0.00 0.00 178.44 180.81 3h6u h VAL 79 N -0.29 1.26 -0.52 1.22 2.07 -0.74 -2.77 116.25 116.47 3h6u h VAL 79 Ca -0.06 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3h6u h VAL 79 Cb 1.22 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3h6u h VAL 79 CO 0.09 0.26 0.00 -1.22 0.02 0.00 0.00 177.57 176.72 3h6u n TYR 80 N -4.36 1.19 -1.44 1.57 4.01 -0.13 -4.94 117.16 113.06 3h6u n TYR 80 Ca 0.11 -0.47 -0.11 0.00 -0.16 0.00 0.00 57.90 57.27 3h6u n TYR 80 Cb 0.04 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 38.83 3h6u n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h6u n GLY 81 N 0.98 1.01 0.13 2.72 0.00 -1.04 -4.91 105.19 104.07 3h6u n GLY 81 Ca 0.21 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.71 3h6u n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h6u h LYS 82 N 0.00 0.00 -4.87 1.61 1.79 -0.45 -3.46 116.57 111.19 3h6u h LYS 82 Ca -0.22 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.93 3h6u h LYS 82 Cb 0.76 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.21 3h6u h LYS 82 CO 0.31 0.47 -0.74 0.00 -1.08 0.00 0.00 179.45 178.41 3h6u s ALA 83 N -2.95 0.90 -0.18 3.86 0.00 -0.61 -5.00 121.76 117.80 3h6u s ALA 83 Ca 0.02 -0.99 0.22 0.00 0.00 0.00 0.00 51.96 51.22 3h6u s ALA 83 Cb 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 3h6u s ALA 83 CO 0.76 0.00 0.88 -0.25 0.00 0.00 0.00 175.76 177.15 3h6u n ASP 84 N 1.04 0.60 -3.56 0.00 8.00 0.21 -4.45 116.55 118.38 3h6u n ASP 84 Ca -0.20 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 3h6u n ASP 84 Cb 0.56 0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 42.51 3h6u n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h6u s ILE 85 N -3.41 0.00 -0.18 0.53 2.07 -1.05 -4.25 121.20 114.90 3h6u s ILE 85 Ca -0.03 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3h6u s ILE 85 Cb 0.11 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.70 3h6u s ILE 85 CO 0.83 0.00 -0.14 0.00 -1.91 0.00 0.00 174.94 173.72 3h6u s ALA 86 N -0.94 2.53 -0.42 1.50 0.00 0.80 -0.31 121.76 124.93 3h6u s ALA 86 Ca -0.05 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3h6u s ALA 86 Cb -0.01 -1.34 0.12 0.00 0.00 0.00 0.00 23.12 21.89 3h6u s ALA 86 CO 0.04 -0.24 0.16 0.42 0.00 0.00 0.00 175.76 176.14 3h6u s ILE 87 N 1.14 2.07 0.24 0.00 1.01 -1.00 -1.83 121.20 122.82 3h6u s ILE 87 Ca 0.01 -2.60 -0.21 0.00 0.00 0.00 0.00 60.65 57.84 3h6u s ILE 87 Cb -0.14 -2.48 0.06 0.00 0.01 0.00 0.00 42.46 39.90 3h6u s ILE 87 CO -0.05 -0.73 0.91 0.00 0.00 0.00 0.00 174.94 175.08 3h6u s ALA 88 N 0.48 -1.35 -1.10 9.38 0.00 -1.26 -4.66 121.76 123.25 3h6u s ALA 88 Ca 0.14 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3h6u s ALA 88 Cb -0.22 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.54 3h6u s ALA 88 CO -0.06 -1.04 2.21 -0.35 0.00 0.00 0.00 175.76 176.52 3h6u n PRO 89 N -0.56 2.31 -3.32 0.00 -0.04 -1.26 -4.69 135.00 127.44 3h6u n PRO 89 Ca -0.05 -1.96 -0.41 0.00 -0.04 0.00 0.00 63.50 61.03 3h6u n PRO 89 Cb 0.60 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.12 3h6u n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h6u s LEU 90 N 0.94 4.44 0.18 1.53 2.96 -1.26 -5.00 118.68 122.47 3h6u s LEU 90 Ca 0.52 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 3h6u s LEU 90 Cb 0.14 -2.45 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 3h6u s LEU 90 CO 0.00 -0.42 1.30 -0.89 -1.32 0.00 0.00 176.35 175.01 3h6u s THR 91 N 2.19 3.33 -0.27 3.68 2.01 -1.26 -1.82 115.64 123.51 3h6u s THR 91 Ca 0.15 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 3h6u s THR 91 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.67 3h6u s THR 91 CO 0.13 0.15 1.25 -0.63 -0.69 0.00 0.00 174.62 174.82 3h6u s ILE 92 N 0.28 4.25 0.15 1.82 1.01 -0.61 -4.88 121.20 123.22 3h6u s ILE 92 Ca 0.57 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.71 3h6u s ILE 92 Cb -0.35 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3h6u s ILE 92 CO 0.36 -0.39 -0.10 0.42 0.00 0.00 0.00 174.94 175.24 3h6u s THR 93 N 4.02 1.15 0.08 2.92 -4.23 -1.26 -4.76 115.64 113.56 3h6u s THR 93 Ca 0.54 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 3h6u s THR 93 Cb -0.17 -1.86 -0.16 0.00 1.34 0.00 0.00 72.50 71.65 3h6u s THR 93 CO 0.19 -0.74 1.69 0.25 -0.54 0.00 0.00 174.62 175.48 3h6u h LEU 94 N 2.77 -0.07 -1.75 4.79 5.85 -1.99 0.17 115.31 125.08 3h6u h LEU 94 Ca -0.37 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3h6u h LEU 94 Cb 1.19 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3h6u h LEU 94 CO 0.64 -0.02 0.18 -0.37 -0.34 0.00 0.00 178.44 178.53 3h6u h VAL 95 N -0.12 1.05 0.23 1.05 -1.51 -2.00 -2.53 116.25 112.41 3h6u h VAL 95 Ca -0.01 -0.11 -0.32 0.00 -1.23 0.00 0.00 66.70 65.03 3h6u h VAL 95 Cb 0.10 0.69 0.03 0.00 -2.13 0.00 0.00 31.29 29.98 3h6u h VAL 95 CO 0.01 0.06 -1.42 0.03 -1.23 0.00 0.00 177.57 175.02 3h6u h ARG 96 N 0.34 0.49 -0.50 5.19 3.08 -1.89 -3.29 114.38 117.80 3h6u h ARG 96 Ca 0.10 -0.84 0.14 0.00 0.07 0.00 0.00 59.98 59.45 3h6u h ARG 96 Cb 0.00 0.31 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3h6u h ARG 96 CO -0.02 1.40 0.36 1.49 -1.07 0.00 0.00 179.97 182.13 3h6u h GLU 97 N 0.06 0.01 0.00 0.04 4.57 -0.28 -0.46 114.58 118.52 3h6u h GLU 97 Ca -0.25 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 3h6u h GLU 97 Cb 2.09 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.67 3h6u h GLU 97 CO 0.25 0.01 -0.24 0.93 -1.18 0.00 0.00 179.01 178.77 3h6u h GLU 98 N 0.01 0.00 0.00 1.92 5.08 -1.54 -3.33 114.58 116.73 3h6u h GLU 98 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3h6u h GLU 98 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3h6u h GLU 98 CO -0.00 0.24 -0.87 1.33 -1.00 0.00 0.00 179.01 178.71 3h6u n VAL 99 N -3.40 0.00 -4.10 3.13 0.24 -0.32 -5.04 118.33 108.85 3h6u n VAL 99 Ca 0.00 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.97 3h6u n VAL 99 Cb 0.44 0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 33.38 3h6u n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h6u s ILE 100 N -2.16 0.18 0.15 1.34 -4.36 -0.42 -4.00 121.20 111.93 3h6u s ILE 100 Ca 0.00 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 3h6u s ILE 100 Cb 0.06 -1.69 -0.06 0.00 1.25 0.00 0.00 42.46 42.01 3h6u s ILE 100 CO 0.34 -0.81 0.48 -1.81 0.24 0.00 0.00 174.94 173.37 3h6u s ASP 101 N -2.96 6.66 -0.03 4.36 1.01 0.15 -4.35 116.67 121.50 3h6u s ASP 101 Ca 0.13 0.87 0.04 0.00 0.71 0.00 0.00 52.55 54.29 3h6u s ASP 101 Cb 0.08 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 3h6u s ASP 101 CO -0.06 0.06 -0.15 -0.36 0.21 0.00 0.00 175.17 174.87 3h6u s PHE 102 N -1.58 1.48 0.90 4.23 0.08 -1.26 -1.52 117.98 120.31 3h6u s PHE 102 Ca 0.40 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 3h6u s PHE 102 Cb -0.13 -1.00 0.14 0.00 -0.57 0.00 0.00 43.02 41.46 3h6u s PHE 102 CO 0.20 -0.12 1.21 -1.54 -0.10 0.00 0.00 175.22 174.88 3h6u s SER 103 N -0.03 3.63 0.76 1.36 1.04 -0.30 -4.94 113.70 115.22 3h6u s SER 103 Ca -0.01 0.65 -0.14 0.00 0.48 0.00 0.00 55.95 56.93 3h6u s SER 103 Cb -0.10 -1.01 0.06 0.00 0.10 0.00 0.00 66.02 65.07 3h6u s SER 103 CO 0.01 -2.44 1.19 -0.54 0.98 0.00 0.00 173.24 172.44 3h6u s LYS 104 N -5.60 1.98 0.43 4.02 3.01 -1.26 -4.51 119.74 117.82 3h6u s LYS 104 Ca 0.67 1.67 -0.26 0.00 -1.01 0.00 0.00 55.97 57.04 3h6u s LYS 104 Cb -0.10 -1.82 -0.09 0.00 -1.01 0.00 0.00 37.83 34.81 3h6u s LYS 104 CO 0.52 -1.94 1.44 -1.25 0.51 0.00 0.00 175.35 174.63 3h6u s PRO 105 N -4.10 3.78 0.00 -1.68 0.04 -1.26 -4.60 135.00 127.19 3h6u s PRO 105 Ca 0.72 2.45 0.17 0.00 0.04 0.00 0.00 61.00 64.38 3h6u s PRO 105 Cb -0.27 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 3h6u s PRO 105 CO 0.48 -0.75 0.84 1.97 0.04 0.00 0.00 177.00 179.58 3h6u n PHE 106 N -0.04 0.00 -3.65 0.56 1.16 -0.15 -4.95 117.46 110.39 3h6u n PHE 106 Ca 0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.50 3h6u n PHE 106 Cb 0.41 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.21 3h6u n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3h6u s MET 107 N -2.20 0.75 0.18 3.97 0.00 -1.25 -4.97 119.30 115.78 3h6u s MET 107 Ca 0.12 0.99 0.05 0.00 0.00 0.00 0.00 55.69 56.84 3h6u s MET 107 Cb 0.14 0.31 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 3h6u s MET 107 CO 0.52 -0.11 0.20 -1.54 0.00 0.00 0.00 175.02 174.09 3h6u s SER 108 N 0.67 5.79 0.20 1.11 1.04 -1.26 -1.03 113.70 120.21 3h6u s SER 108 Ca -0.03 -0.06 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 3h6u s SER 108 Cb -0.05 -1.59 0.08 0.00 0.10 0.00 0.00 66.02 64.56 3h6u s SER 108 CO -0.04 0.04 1.03 -1.48 0.98 0.00 0.00 173.24 173.77 3h6u s LEU 109 N -3.31 0.02 0.08 2.42 -0.00 -0.17 -4.84 118.68 112.88 3h6u s LEU 109 Ca 0.32 -0.72 -0.22 0.00 -0.00 0.00 0.00 54.13 53.51 3h6u s LEU 109 Cb -0.10 2.12 0.06 0.00 -0.00 0.00 0.00 46.19 48.27 3h6u s LEU 109 CO 0.25 -1.04 0.54 -0.83 -0.00 0.00 0.00 176.35 175.28 3h6u s GLY 110 N -3.43 -0.47 0.34 -3.48 0.00 -1.26 -0.71 107.32 98.32 3h6u s GLY 110 Ca 0.22 0.55 -0.28 0.00 0.00 0.00 0.00 44.72 45.21 3h6u s GLY 110 CO 0.06 0.24 1.34 -0.42 0.00 0.00 0.00 173.10 174.32 3h6u s ILE 111 N -2.85 2.60 0.27 0.90 1.01 -1.26 -0.14 121.20 121.73 3h6u s ILE 111 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3h6u s ILE 111 Cb -0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3h6u s ILE 111 CO -0.05 0.14 0.27 -0.94 0.00 0.00 0.00 174.94 174.36 3h6u s SER 112 N -0.45 0.74 -0.17 3.58 1.04 0.11 0.03 113.70 118.59 3h6u s SER 112 Ca 0.50 -1.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 3h6u s SER 112 Cb -0.41 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3h6u s SER 112 CO 0.54 -1.01 -0.03 -0.63 0.98 0.00 0.00 173.24 173.08 3h6u s ILE 113 N -3.74 3.84 -0.17 -1.02 1.01 -1.26 -1.68 121.20 118.19 3h6u s ILE 113 Ca 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 3h6u s ILE 113 Cb 0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3h6u s ILE 113 CO 0.18 0.48 -0.04 -0.32 0.00 0.00 0.00 174.94 175.24 3h6u s MET 114 N 0.53 3.61 0.22 2.79 -2.45 0.47 -1.87 119.30 122.60 3h6u s MET 114 Ca -0.03 -0.54 0.06 0.00 -1.25 0.00 0.00 55.69 53.93 3h6u s MET 114 Cb -0.14 -2.93 -0.05 0.00 1.25 0.00 0.00 34.83 32.95 3h6u s MET 114 CO 0.03 0.15 -0.09 0.96 1.05 0.00 0.00 175.02 177.12 3h6u s ILE 115 N 0.59 1.49 0.22 10.11 -4.36 -0.76 -1.30 121.20 127.19 3h6u s ILE 115 Ca -0.03 -2.13 -0.28 0.00 -0.26 0.00 0.00 60.65 57.95 3h6u s ILE 115 Cb -0.14 -2.18 -0.09 0.00 1.25 0.00 0.00 42.46 41.30 3h6u s ILE 115 CO 0.03 -0.49 0.88 -0.75 0.24 0.00 0.00 174.94 174.84 3h6u s LYS 116 N -3.72 4.72 0.19 0.37 2.20 -1.26 -1.62 119.74 120.62 3h6u s LYS 116 Ca 0.24 1.35 -0.32 0.00 -0.36 0.00 0.00 55.97 56.88 3h6u s LYS 116 Cb 0.02 -3.23 -0.15 0.00 -1.51 0.00 0.00 37.83 32.96 3h6u s LYS 116 CO 0.07 0.52 1.20 1.63 -0.36 0.00 0.00 175.35 178.41 3h6u n LYS 117 N 1.43 1.33 0.00 4.03 5.02 -0.01 -1.83 118.16 128.13 3h6u n LYS 117 Ca -0.03 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3h6u n LYS 117 Cb 0.48 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3h6u n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6u n GLY 118 N 2.00 1.70 3.71 0.72 0.00 -1.26 -4.98 105.19 107.07 3h6u n GLY 118 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h6u n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6u s THR 119 N -2.41 2.39 -0.84 2.61 2.01 -0.76 -4.85 115.64 113.79 3h6u s THR 119 Ca 0.00 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 3h6u s THR 119 Cb 0.00 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 3h6u s THR 119 CO 0.00 0.00 2.51 -0.81 -0.69 0.00 0.00 174.62 175.63 3h6u n PRO 120 N 4.82 2.32 -4.19 4.92 -0.04 -1.26 -4.79 135.00 136.78 3h6u n PRO 120 Ca 0.16 -1.44 -0.20 0.00 -0.04 0.00 0.00 63.50 61.98 3h6u n PRO 120 Cb 0.37 -2.37 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 3h6u n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h6u s ILE 121 N 2.57 0.58 -0.01 0.52 -1.09 -1.26 -5.02 121.20 117.49 3h6u s ILE 121 Ca 0.50 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3h6u s ILE 121 Cb 0.16 -0.60 -0.00 0.00 -1.58 0.00 0.00 42.46 40.44 3h6u s ILE 121 CO -0.03 0.23 0.01 -0.62 -1.23 0.00 0.00 174.94 173.30 3h6u n GLU 122 N 4.04 3.84 -3.92 2.79 1.02 -1.26 -4.92 120.64 122.23 3h6u n GLU 122 Ca -0.24 -0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.81 3h6u n GLU 122 Cb 0.51 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 3h6u n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3h6u s SER 123 N -1.47 -0.10 0.29 1.62 1.04 -1.26 -2.97 113.70 110.84 3h6u s SER 123 Ca 0.00 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.59 3h6u s SER 123 Cb 0.00 0.68 0.43 0.00 0.10 0.00 0.00 66.02 67.24 3h6u s SER 123 CO 0.01 -1.30 1.79 0.00 0.98 0.00 0.00 173.24 174.72 3h6u h ALA 124 N 2.11 1.19 -0.66 5.32 0.00 -1.93 -2.11 119.26 123.18 3h6u h ALA 124 Ca -0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3h6u h ALA 124 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3h6u h ALA 124 CO 0.31 0.53 0.33 1.49 0.00 0.00 0.00 179.25 181.90 3h6u h GLU 125 N 0.63 0.94 -0.21 0.00 4.81 -1.95 -0.84 114.58 117.96 3h6u h GLU 125 Ca 0.12 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3h6u h GLU 125 Cb 0.43 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3h6u h GLU 125 CO 0.02 0.73 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.57 3h6u h ASP 126 N 0.90 -0.13 -0.27 1.04 3.32 -1.79 -1.85 116.42 117.65 3h6u h ASP 126 Ca 0.23 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3h6u h ASP 126 Cb 0.10 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3h6u h ASP 126 CO -0.03 -0.04 0.04 -0.07 -1.72 0.00 0.00 179.24 177.42 3h6u h LEU 127 N 0.04 -0.03 -2.08 1.55 3.38 -0.95 -2.59 115.31 114.63 3h6u h LEU 127 Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3h6u h LEU 127 Cb 0.14 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h6u h LEU 127 CO -0.19 0.02 -0.08 0.77 0.09 0.00 0.00 178.44 179.05 3h6u h SER 128 N 0.13 0.00 -0.46 -0.43 4.64 -0.81 -2.78 113.55 113.84 3h6u h SER 128 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3h6u h SER 128 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h6u h SER 128 CO -0.18 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 3h6u n LYS 129 N -3.72 2.46 -4.13 4.77 5.02 -0.73 -4.93 118.16 116.91 3h6u n LYS 129 Ca -0.02 -1.82 -0.12 0.00 -2.02 0.00 0.00 58.31 54.33 3h6u n LYS 129 Cb 0.19 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 3h6u n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3h6u s GLN 130 N -1.54 1.41 0.00 1.97 1.03 -1.05 -5.08 119.66 116.41 3h6u s GLN 130 Ca 0.33 -1.54 0.00 0.00 0.04 0.00 0.00 55.36 54.19 3h6u s GLN 130 Cb 0.19 0.35 0.00 0.00 0.03 0.00 0.00 33.01 33.59 3h6u s GLN 130 CO 0.19 -0.52 0.00 0.25 -2.54 0.00 0.00 175.29 172.67 3h6u n THR 131 N -0.35 0.00 -0.24 3.63 -2.24 -1.26 -4.82 114.28 109.00 3h6u n THR 131 Ca 0.01 -0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 3h6u n THR 131 Cb 0.64 0.52 0.27 0.00 -2.10 0.00 0.00 70.33 69.66 3h6u n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h6u h GLU 132 N 0.00 0.92 -4.73 -0.78 4.57 -1.96 -3.38 114.58 109.21 3h6u h GLU 132 Ca 0.00 -0.06 -0.67 0.00 -1.18 0.00 0.00 59.36 57.45 3h6u h GLU 132 Cb 0.00 -0.21 -0.19 0.00 -0.16 0.00 0.00 28.75 28.19 3h6u h GLU 132 CO 0.00 0.61 -0.49 0.42 -1.18 0.00 0.00 179.01 178.37 3h6u s ILE 133 N -5.82 5.23 0.64 2.32 1.01 -1.26 -4.90 121.20 118.42 3h6u s ILE 133 Ca -0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 3h6u s ILE 133 Cb 0.19 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3h6u s ILE 133 CO 0.78 0.01 1.04 0.00 0.00 0.00 0.00 174.94 176.77 3h6u s ALA 134 N 1.72 2.94 -0.13 9.38 0.00 0.69 -4.85 121.76 131.52 3h6u s ALA 134 Ca 0.06 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 3h6u s ALA 134 Cb -0.17 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.89 3h6u s ALA 134 CO 0.10 -0.84 0.61 1.52 0.00 0.00 0.00 175.76 177.14 3h6u s TYR 135 N -3.07 -0.61 0.00 0.00 -0.85 -1.26 -0.10 117.35 111.47 3h6u s TYR 135 Ca 0.57 1.25 0.00 0.00 -0.52 0.00 0.00 57.07 58.36 3h6u s TYR 135 Cb -0.12 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.51 3h6u s TYR 135 CO 0.52 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 174.50 3h6u n GLY 136 N 1.75 3.42 3.31 5.49 0.00 -1.11 -4.79 105.19 113.27 3h6u n GLY 136 Ca -0.17 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 3h6u n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h6u n THR 137 N 0.00 0.00 -2.75 2.61 -2.24 -1.24 -1.18 114.28 109.48 3h6u n THR 137 Ca 0.00 -2.43 -0.33 0.00 -2.27 0.00 0.00 64.05 59.02 3h6u n THR 137 Cb 0.00 1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3h6u n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3h6u s LEU 138 N 0.00 3.89 0.42 3.22 2.96 -1.26 -1.97 118.68 125.93 3h6u s LEU 138 Ca 0.40 1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 55.86 3h6u s LEU 138 Cb 0.02 -4.52 -0.06 0.00 0.50 0.00 0.00 46.19 42.13 3h6u s LEU 138 CO 0.28 -0.40 0.78 -1.81 -1.32 0.00 0.00 176.35 173.88 3h6u s ASP 139 N -2.35 6.47 -1.37 3.68 1.01 -0.10 -4.26 116.67 119.75 3h6u s ASP 139 Ca 0.61 1.11 -0.03 0.00 0.71 0.00 0.00 52.55 54.95 3h6u s ASP 139 Cb -0.09 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3h6u s ASP 139 CO 0.17 -0.44 0.21 -1.20 0.21 0.00 0.00 175.17 174.12 3h6u n SER 140 N -1.48 -4.81 -4.13 0.27 7.64 -1.26 -4.79 113.62 105.05 3h6u n SER 140 Ca 0.02 -0.06 -0.27 0.00 1.01 0.00 0.00 58.87 59.57 3h6u n SER 140 Cb 0.54 -4.00 -0.08 0.00 -1.01 0.00 0.00 64.21 59.67 3h6u n SER 140 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h6u s GLY 141 N -2.30 2.72 0.31 0.23 0.00 -1.26 -2.16 107.32 104.86 3h6u s GLY 141 Ca 0.14 -1.08 0.12 0.00 0.00 0.00 0.00 44.72 43.89 3h6u s GLY 141 CO 0.17 -1.87 1.67 1.48 0.00 0.00 0.00 173.10 174.55 3h6u h SER 142 N 1.71 0.00 -0.37 1.64 4.64 -1.92 -3.03 113.55 116.22 3h6u h SER 142 Ca -0.35 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3h6u h SER 142 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3h6u h SER 142 CO 0.57 0.54 0.04 0.74 -0.87 0.00 0.00 176.83 177.84 3h6u h THR 143 N 0.00 1.25 -0.66 2.95 2.02 -1.96 0.18 112.91 116.69 3h6u h THR 143 Ca -0.01 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 3h6u h THR 143 Cb 0.98 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3h6u h THR 143 CO 0.07 0.30 0.18 0.50 0.37 0.00 0.00 175.52 176.95 3h6u h LYS 144 N 0.45 1.03 -0.47 6.66 3.64 -1.73 -2.27 116.57 123.88 3h6u h LYS 144 Ca 0.11 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3h6u h LYS 144 Cb 0.40 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3h6u h LYS 144 CO 0.01 0.91 0.07 1.49 -2.27 0.00 0.00 179.45 179.66 3h6u h GLU 145 N 0.96 0.73 -0.21 1.90 4.57 -1.39 -1.43 114.58 119.71 3h6u h GLU 145 Ca 0.21 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 3h6u h GLU 145 Cb 0.33 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3h6u h GLU 145 CO -0.00 0.70 -0.03 0.35 -1.18 0.00 0.00 179.01 178.85 3h6u h PHE 146 N 0.70 -0.06 -0.27 0.92 3.57 -0.38 -0.01 116.94 121.41 3h6u h PHE 146 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3h6u h PHE 146 Cb 0.33 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3h6u h PHE 146 CO 0.02 -0.06 -0.46 0.74 -2.23 0.00 0.00 178.31 176.32 3h6u h PHE 147 N 0.03 0.85 -0.59 0.41 0.04 -1.25 -1.71 116.94 114.72 3h6u h PHE 147 Ca 0.10 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 3h6u h PHE 147 Cb 0.14 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3h6u h PHE 147 CO -0.20 1.02 0.20 -0.09 -0.60 0.00 0.00 178.31 178.65 3h6u h ARG 148 N 0.56 0.87 -0.01 1.51 2.43 -0.94 -3.15 114.38 115.65 3h6u h ARG 148 Ca 0.03 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3h6u h ARG 148 Cb 1.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3h6u h ARG 148 CO 0.10 0.74 -0.51 0.54 -1.51 0.00 0.00 179.97 179.32 3h6u n ARG 149 N -4.30 0.69 -2.31 0.20 5.12 -0.04 -4.98 116.66 111.03 3h6u n ARG 149 Ca 0.05 -0.51 -0.41 0.00 -1.93 0.00 0.00 57.85 55.05 3h6u n ARG 149 Cb 0.19 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 3h6u n ARG 149 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3h6u s SER 150 N -2.66 7.04 0.00 0.55 0.15 -0.65 -4.92 113.70 113.21 3h6u s SER 150 Ca 0.17 2.43 0.12 0.00 0.70 0.00 0.00 55.95 59.38 3h6u s SER 150 Cb 0.18 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 62.10 3h6u s SER 150 CO 0.63 -0.34 1.12 2.29 1.20 0.00 0.00 173.24 178.14 3h6u n LYS 151 N 1.27 1.97 -2.44 5.44 2.85 -1.26 -4.48 118.16 121.51 3h6u n LYS 151 Ca 0.00 -1.75 -0.42 0.00 -1.05 0.00 0.00 58.31 55.09 3h6u n LYS 151 Cb 0.43 -1.27 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 3h6u n LYS 151 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3h6u s ILE 152 N -1.01 4.22 0.11 0.58 -1.09 -1.26 -4.89 121.20 117.86 3h6u s ILE 152 Ca 0.21 1.55 -0.22 0.00 -2.23 0.00 0.00 60.65 59.96 3h6u s ILE 152 Cb 0.12 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3h6u s ILE 152 CO 0.17 -0.02 1.19 0.00 -1.23 0.00 0.00 174.94 175.04 3h6u n ALA 153 N 5.38 -0.45 -0.24 9.38 0.00 -1.26 -0.54 120.51 132.78 3h6u n ALA 153 Ca 0.11 0.59 -0.04 0.00 0.00 0.00 0.00 53.44 54.11 3h6u n ALA 153 Cb 0.46 -0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.93 3h6u n ALA 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h6u h VAL 154 N 0.00 1.11 -0.05 0.00 2.07 -1.99 -0.89 116.25 116.50 3h6u h VAL 154 Ca 0.11 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 3h6u h VAL 154 Cb 0.29 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3h6u h VAL 154 CO -0.66 0.16 -0.62 -0.26 0.02 0.00 0.00 177.57 176.21 3h6u h PHE 155 N 0.87 0.22 -0.33 1.57 0.04 -1.68 -1.37 116.94 116.26 3h6u h PHE 155 Ca 0.27 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 3h6u h PHE 155 Cb -0.01 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3h6u h PHE 155 CO -0.04 0.75 0.09 0.22 -0.60 0.00 0.00 178.31 178.72 3h6u h ASP 156 N 0.13 0.49 -0.60 2.17 1.82 -0.43 -0.05 116.42 119.95 3h6u h ASP 156 Ca -0.01 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 3h6u h ASP 156 Cb 1.12 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 3h6u h ASP 156 CO 0.09 0.58 0.36 0.50 -1.61 0.00 0.00 179.24 179.16 3h6u h LYS 157 N 0.37 0.81 -0.22 0.28 3.64 -1.00 0.30 116.57 120.76 3h6u h LYS 157 Ca 0.10 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3h6u h LYS 157 Cb 0.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3h6u h LYS 157 CO -0.00 0.58 0.09 0.52 -2.27 0.00 0.00 179.45 178.38 3h6u h MET 158 N 0.81 0.32 -0.55 1.90 2.86 -0.97 -2.21 114.93 117.08 3h6u h MET 158 Ca 0.21 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3h6u h MET 158 Cb -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3h6u h MET 158 CO -0.04 0.36 0.36 2.35 1.06 0.00 0.00 176.91 181.01 3h6u h TRP 159 N 0.21 0.69 -0.98 -0.22 2.91 -0.73 0.59 115.95 118.42 3h6u h TRP 159 Ca 0.07 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.22 3h6u h TRP 159 Cb 0.16 -0.23 -0.08 0.00 -0.51 0.00 0.00 29.16 28.50 3h6u h TRP 159 CO -0.02 0.43 0.62 1.15 -1.03 0.00 0.00 178.44 179.60 3h6u h THR 160 N 0.74 0.95 0.07 2.65 2.02 -0.74 -0.52 112.91 118.09 3h6u h THR 160 Ca 0.21 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3h6u h THR 160 Cb -0.08 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.20 3h6u h THR 160 CO -0.05 0.18 -0.03 0.22 0.37 0.00 0.00 175.52 176.21 3h6u h TYR 161 N 1.00 -0.09 -0.67 3.16 3.20 -0.72 -3.33 116.97 119.52 3h6u h TYR 161 Ca 0.47 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.38 3h6u h TYR 161 Cb 0.43 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 3h6u h TYR 161 CO -0.00 0.46 0.40 0.52 -1.64 0.00 0.00 178.16 177.89 3h6u h MET 162 N -0.72 0.73 -0.02 1.82 2.86 -0.55 -1.40 114.93 117.65 3h6u h MET 162 Ca -0.01 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3h6u h MET 162 Cb 0.59 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3h6u h MET 162 CO 0.02 0.49 0.02 0.07 1.06 0.00 0.00 176.91 178.56 3h6u h ARG 163 N 0.76 0.00 -0.07 1.72 0.11 -1.23 -2.80 114.38 112.87 3h6u h ARG 163 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3h6u h ARG 163 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3h6u h ARG 163 CO -0.14 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.36 3h6u n SER 164 N -4.25 2.36 -4.77 0.08 7.64 -1.07 -5.04 113.62 108.56 3h6u n SER 164 Ca -0.03 -2.36 -0.38 0.00 1.01 0.00 0.00 58.87 57.11 3h6u n SER 164 Cb 0.11 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 3h6u n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h6u s ALA 165 N -1.62 3.22 -0.04 -0.43 0.00 -0.55 -5.05 121.76 117.29 3h6u s ALA 165 Ca 0.15 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3h6u s ALA 165 Cb 0.11 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3h6u s ALA 165 CO 0.04 -0.31 -0.05 -1.21 0.00 0.00 0.00 175.76 174.23 3h6u s GLU 166 N -2.07 0.81 1.09 0.00 2.02 -1.26 -3.60 118.70 115.68 3h6u s GLU 166 Ca 0.53 -0.12 -0.14 0.00 0.02 0.00 0.00 54.97 55.25 3h6u s GLU 166 Cb -0.28 -0.80 0.23 0.00 0.10 0.00 0.00 34.13 33.38 3h6u s GLU 166 CO 0.36 -0.05 1.08 -1.25 0.02 0.00 0.00 175.26 175.42 3h6u s PRO 167 N 0.78 -0.31 0.33 0.39 0.04 -1.26 -5.07 135.00 129.90 3h6u s PRO 167 Ca -0.11 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.04 3h6u s PRO 167 Cb -0.13 -1.66 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 3h6u s PRO 167 CO 0.00 -3.20 1.14 0.45 0.04 0.00 0.00 177.00 175.43 3h6u n SER 168 N -4.48 1.96 -0.77 6.66 2.88 -1.24 -4.90 113.62 113.73 3h6u n SER 168 Ca 0.07 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 3h6u n SER 168 Cb 0.58 -1.38 0.06 0.00 -0.75 0.00 0.00 64.21 62.72 3h6u n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h6u n VAL 169 N 0.20 0.00 -3.36 2.46 0.24 -1.26 -4.96 118.33 111.65 3h6u n VAL 169 Ca 0.07 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.34 61.61 3h6u n VAL 169 Cb 0.34 1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 3h6u n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3h6u s PHE 170 N -2.02 3.48 0.18 6.34 0.08 -1.26 -3.63 117.98 121.14 3h6u s PHE 170 Ca 0.24 0.98 0.07 0.00 0.12 0.00 0.00 56.93 58.34 3h6u s PHE 170 Cb 0.18 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3h6u s PHE 170 CO 0.36 0.29 -0.14 0.14 -0.10 0.00 0.00 175.22 175.77 3h6u s VAL 171 N -1.73 1.62 -0.08 -0.44 -7.23 -0.83 -4.98 120.40 106.73 3h6u s VAL 171 Ca 0.45 -2.07 0.14 0.00 -1.81 0.00 0.00 61.98 58.69 3h6u s VAL 171 Cb -0.12 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 3h6u s VAL 171 CO 0.20 -0.54 1.15 -0.09 -0.31 0.00 0.00 175.10 175.51 3h6u h ARG 172 N 2.85 0.00 -4.18 4.82 2.43 -1.93 -0.25 114.38 118.12 3h6u h ARG 172 Ca -0.39 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 3h6u h ARG 172 Cb 1.21 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.60 3h6u h ARG 172 CO 0.59 0.53 -0.66 0.95 -1.51 0.00 0.00 179.97 179.87 3h6u s THR 173 N -2.87 0.20 0.22 0.20 -4.23 -1.26 -4.69 115.64 103.22 3h6u s THR 173 Ca 0.01 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 58.78 3h6u s THR 173 Cb 0.08 -1.36 0.19 0.00 1.34 0.00 0.00 72.50 72.76 3h6u s THR 173 CO 0.79 -0.92 1.85 0.74 -0.54 0.00 0.00 174.62 176.54 3h6u h THR 174 N 3.30 1.25 -0.77 3.99 2.02 -1.95 -1.86 112.91 118.89 3h6u h THR 174 Ca -0.34 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.33 3h6u h THR 174 Cb 1.15 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3h6u h THR 174 CO 0.62 0.27 0.50 0.00 0.37 0.00 0.00 175.52 177.29 3h6u h ALA 175 N 1.26 1.72 -0.41 6.16 0.00 -1.96 -0.25 119.26 125.78 3h6u h ALA 175 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3h6u h ALA 175 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h6u h ALA 175 CO -0.05 0.14 -0.10 1.49 0.00 0.00 0.00 179.25 180.73 3h6u h GLU 176 N 0.76 0.78 -0.56 0.00 4.81 -1.76 -0.75 114.58 117.86 3h6u h GLU 176 Ca 0.34 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3h6u h GLU 176 Cb 0.35 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3h6u h GLU 176 CO -0.12 0.92 0.23 0.78 -0.73 0.00 0.00 179.01 180.09 3h6u h GLY 177 N 0.60 0.90 0.93 1.92 0.00 -0.81 -0.81 103.07 105.80 3h6u h GLY 177 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3h6u h GLY 177 CO 0.04 0.46 0.14 -2.08 0.00 0.00 0.00 176.54 175.09 3h6u h VAL 178 N 0.77 1.20 -0.99 4.60 2.07 -0.98 -1.43 116.25 121.48 3h6u h VAL 178 Ca 0.19 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3h6u h VAL 178 Cb 0.19 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3h6u h VAL 178 CO -0.02 0.22 0.65 0.00 0.02 0.00 0.00 177.57 178.45 3h6u h ALA 179 N 0.98 1.30 -0.53 1.67 0.00 -0.88 -0.22 119.26 121.57 3h6u h ALA 179 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3h6u h ALA 179 Cb 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h6u h ALA 179 CO -0.01 0.56 0.01 -0.09 0.00 0.00 0.00 179.25 179.72 3h6u h ARG 180 N 1.27 0.90 -0.18 0.00 2.43 -0.78 -0.23 114.38 117.79 3h6u h ARG 180 Ca 0.39 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3h6u h ARG 180 Cb -0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3h6u h ARG 180 CO -0.12 0.89 0.05 0.28 -1.51 0.00 0.00 179.97 179.56 3h6u h VAL 181 N 0.83 1.19 -0.19 0.20 2.07 -0.28 -1.78 116.25 118.30 3h6u h VAL 181 Ca 0.16 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3h6u h VAL 181 Cb 0.49 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3h6u h VAL 181 CO 0.02 0.19 -0.18 0.03 0.02 0.00 0.00 177.57 177.65 3h6u h ARG 182 N 0.11 0.32 -0.36 1.57 3.08 -0.79 -3.13 114.38 115.16 3h6u h ARG 182 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h6u h ARG 182 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h6u h ARG 182 CO -0.00 0.49 0.00 1.63 -1.07 0.00 0.00 179.97 181.02 3h6u n LYS 183 N -4.21 2.49 -0.35 0.04 5.02 -0.12 -4.31 118.16 116.71 3h6u n LYS 183 Ca -0.00 -2.26 0.12 0.00 -2.02 0.00 0.00 58.31 54.14 3h6u n LYS 183 Cb 0.32 -1.51 0.31 0.00 -0.02 0.00 0.00 35.03 34.13 3h6u n LYS 183 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3h6u n SER 184 N 1.48 3.88 -3.73 4.39 7.64 -0.68 -4.96 113.62 121.64 3h6u n SER 184 Ca 0.19 -2.00 -0.29 0.00 1.01 0.00 0.00 58.87 57.78 3h6u n SER 184 Cb 0.60 -0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3h6u n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3h6u n LYS 185 N 1.59 -3.73 -0.68 1.43 5.02 -1.26 -0.58 118.16 119.95 3h6u n LYS 185 Ca 0.24 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 3h6u n LYS 185 Cb 0.61 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 3h6u n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6u n GLY 186 N -1.33 0.78 0.69 0.72 0.00 -1.26 -4.92 105.19 99.86 3h6u n GLY 186 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3h6u n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h6u n LYS 187 N -2.24 1.92 -3.95 1.61 4.76 0.25 -4.83 118.16 115.68 3h6u n LYS 187 Ca 0.00 -1.37 -0.16 0.00 -2.87 0.00 0.00 58.31 53.92 3h6u n LYS 187 Cb 0.00 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 31.60 3h6u n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3h6u s TYR 188 N -1.79 0.26 0.07 2.13 5.04 -1.26 -0.22 117.35 121.58 3h6u s TYR 188 Ca 0.34 -0.01 0.09 0.00 -2.44 0.00 0.00 57.07 55.06 3h6u s TYR 188 Cb 0.19 -0.29 -0.03 0.00 0.35 0.00 0.00 41.96 42.18 3h6u s TYR 188 CO 0.29 -0.07 -0.26 0.00 -1.34 0.00 0.00 175.55 174.17 3h6u s ALA 189 N 0.58 2.21 -0.10 3.97 0.00 0.85 -4.60 121.76 124.68 3h6u s ALA 189 Ca -0.06 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3h6u s ALA 189 Cb -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3h6u s ALA 189 CO -0.01 0.51 -0.20 -0.47 0.00 0.00 0.00 175.76 175.59 3h6u s TYR 190 N -0.88 2.62 -0.35 0.00 5.04 -0.42 -2.75 117.35 120.62 3h6u s TYR 190 Ca 0.12 -0.81 -0.16 0.00 -2.44 0.00 0.00 57.07 53.77 3h6u s TYR 190 Cb -0.10 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.48 3h6u s TYR 190 CO 0.03 -0.28 0.42 -0.51 -1.34 0.00 0.00 175.55 173.87 3h6u s LEU 191 N 0.19 4.41 0.21 6.97 1.43 -0.33 -0.40 118.68 131.17 3h6u s LEU 191 Ca -0.12 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3h6u s LEU 191 Cb -0.16 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 3h6u s LEU 191 CO 0.07 -0.39 0.37 -1.48 0.23 0.00 0.00 176.35 175.14 3h6u s LEU 192 N 2.16 0.62 0.29 1.79 2.34 -0.68 -4.38 118.68 120.81 3h6u s LEU 192 Ca 0.14 -0.95 -0.29 0.00 0.06 0.00 0.00 54.13 53.09 3h6u s LEU 192 Cb -0.16 1.41 -0.10 0.00 -0.56 0.00 0.00 46.19 46.78 3h6u s LEU 192 CO 0.12 -1.01 1.36 -1.61 -1.06 0.00 0.00 176.35 174.15 3h6u s GLU 193 N -4.01 4.32 0.38 1.48 2.02 -1.26 0.09 118.70 121.71 3h6u s GLU 193 Ca 0.22 2.24 0.18 0.00 0.02 0.00 0.00 54.97 57.63 3h6u s GLU 193 Cb 0.02 -3.10 1.12 0.00 0.10 0.00 0.00 34.13 32.27 3h6u s GLU 193 CO 0.06 -0.29 1.71 0.66 0.02 0.00 0.00 175.26 177.42 3h6u h SER 194 N 4.23 0.47 0.06 -0.19 4.64 -0.83 -0.95 113.55 120.97 3h6u h SER 194 Ca -0.47 0.13 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3h6u h SER 194 Cb 1.22 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3h6u h SER 194 CO 0.71 -0.01 -0.14 0.71 -0.87 0.00 0.00 176.83 177.23 3h6u h THR 195 N 0.35 0.67 -0.54 2.95 1.35 -1.88 0.29 112.91 116.11 3h6u h THR 195 Ca 0.68 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 66.42 3h6u h THR 195 Cb 1.70 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 3h6u h THR 195 CO -0.42 0.00 -0.12 0.24 -0.25 0.00 0.00 175.52 174.97 3h6u h MET 196 N -0.26 1.03 -0.19 4.72 2.86 -1.58 -2.30 114.93 119.21 3h6u h MET 196 Ca 0.03 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.31 3h6u h MET 196 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3h6u h MET 196 CO -0.10 1.08 0.04 -0.97 1.06 0.00 0.00 176.91 178.02 3h6u h ASN 197 N 0.91 0.01 -0.79 1.22 -0.73 -0.91 -1.60 115.58 113.69 3h6u h ASN 197 Ca 0.14 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 3h6u h ASN 197 Cb 0.69 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.28 3h6u h ASN 197 CO 0.05 0.04 0.41 -0.33 -0.37 0.00 0.00 177.43 177.23 3h6u h GLU 198 N 0.12 1.12 0.12 6.67 5.08 -0.31 -1.87 114.58 125.51 3h6u h GLU 198 Ca 0.09 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3h6u h GLU 198 Cb 0.08 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3h6u h GLU 198 CO -0.11 0.84 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.77 3h6u h TYR 199 N 1.12 -0.14 -0.87 4.33 3.20 -1.03 -3.05 116.97 120.53 3h6u h TYR 199 Ca 0.28 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.19 3h6u h TYR 199 Cb 0.07 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3h6u h TYR 199 CO 0.01 0.04 0.57 0.82 -1.64 0.00 0.00 178.16 177.96 3h6u h ILE 200 N -0.31 1.12 0.00 1.81 1.08 -1.12 -0.97 117.51 119.12 3h6u h ILE 200 Ca -0.02 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3h6u h ILE 200 Cb 0.25 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3h6u h ILE 200 CO 0.03 0.19 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.60 3h6u h GLU 201 N 1.05 0.00 -0.53 2.37 4.81 -1.23 -0.49 114.58 120.56 3h6u h GLU 201 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3h6u h GLU 201 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3h6u h GLU 201 CO -0.12 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.21 3h6u n GLN 202 N -3.21 4.07 -4.91 1.92 1.13 -0.37 -4.81 117.38 111.20 3h6u n GLN 202 Ca -0.03 -2.97 -0.32 0.00 -1.94 0.00 0.00 57.00 51.74 3h6u n GLN 202 Cb 0.08 -2.03 -0.13 0.00 0.11 0.00 0.00 30.24 28.27 3h6u n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h6u s ARG 203 N -2.41 2.37 0.65 -1.09 1.81 -0.19 0.37 118.95 120.45 3h6u s ARG 203 Ca 0.50 -0.78 -0.17 0.00 -1.72 0.00 0.00 55.73 53.56 3h6u s ARG 203 Cb 0.36 -2.29 -0.01 0.00 -0.45 0.00 0.00 34.95 32.56 3h6u s ARG 203 CO 0.17 0.60 1.21 0.15 -0.68 0.00 0.00 175.30 176.76 3h6u s LYS 204 N -0.85 2.63 0.00 3.54 1.02 -1.26 -0.57 119.74 124.25 3h6u s LYS 204 Ca 0.12 1.81 0.00 0.00 0.02 0.00 0.00 55.97 57.92 3h6u s LYS 204 Cb -0.10 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3h6u s LYS 204 CO 0.01 -1.47 0.49 -0.35 -0.92 0.00 0.00 175.35 173.11 3h6u n PRO 205 N -2.07 0.72 -3.86 -1.68 -0.04 -1.26 -4.96 135.00 121.85 3h6u n PRO 205 Ca 0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 3h6u n PRO 205 Cb 0.50 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 3h6u n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h6u n ASP 207 N -2.98 2.52 -4.47 0.00 5.75 -1.26 -5.00 116.55 111.11 3h6u n ASP 207 Ca -0.25 -2.21 -0.23 0.00 -0.01 0.00 0.00 54.79 52.09 3h6u n ASP 207 Cb 0.66 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.47 3h6u n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h6u s THR 208 N -1.37 1.79 -0.04 2.12 -4.23 -1.26 -0.83 115.64 111.82 3h6u s THR 208 Ca 0.15 -2.13 -0.29 0.00 -1.18 0.00 0.00 61.69 58.24 3h6u s THR 208 Cb 0.10 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.48 3h6u s THR 208 CO 0.06 -0.24 0.77 0.00 -0.54 0.00 0.00 174.62 174.67 3h6u s MET 209 N -3.70 0.96 -0.02 3.99 0.23 -0.64 -4.71 119.30 115.41 3h6u s MET 209 Ca 0.31 0.05 -0.22 0.00 -1.03 0.00 0.00 55.69 54.80 3h6u s MET 209 Cb 0.04 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 3h6u s MET 209 CO 0.14 -0.34 0.65 0.21 -2.03 0.00 0.00 175.02 173.66 3h6u s LYS 210 N -1.80 4.39 0.03 3.16 2.20 -1.26 -1.84 119.74 124.63 3h6u s LYS 210 Ca -0.05 0.83 0.05 0.00 -0.36 0.00 0.00 55.97 56.44 3h6u s LYS 210 Cb -0.00 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3h6u s LYS 210 CO 0.02 0.24 -0.16 0.14 -0.36 0.00 0.00 175.35 175.24 3h6u s VAL 211 N 0.19 1.25 0.06 4.02 -7.23 -0.78 -5.01 120.40 112.91 3h6u s VAL 211 Ca 0.34 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3h6u s VAL 211 Cb -0.18 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.65 3h6u s VAL 211 CO 0.18 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 3h6u n GLY 212 N 2.07 -1.79 3.91 2.32 0.00 -1.16 -4.04 105.19 106.50 3h6u n GLY 212 Ca -0.17 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 3h6u n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h6u s GLY 213 N -4.38 1.61 0.46 -0.02 0.00 -1.26 -4.89 107.32 98.84 3h6u s GLY 213 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 3h6u s GLY 213 CO 0.00 -0.34 1.31 -1.31 0.00 0.00 0.00 173.10 172.76 3h6u s ASN 214 N -4.33 5.94 0.33 1.64 0.02 -1.26 -4.83 114.94 112.44 3h6u s ASN 214 Ca 0.55 2.66 0.18 0.00 -1.02 0.00 0.00 52.86 55.22 3h6u s ASN 214 Cb -0.11 -2.63 0.23 0.00 0.02 0.00 0.00 41.25 38.76 3h6u s ASN 214 CO 0.46 -1.11 1.52 -0.07 0.02 0.00 0.00 177.10 177.93 3h6u h LEU 215 N 2.17 0.00 0.00 0.60 4.07 -0.71 -3.47 115.31 117.97 3h6u h LEU 215 Ca -0.50 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.29 3h6u h LEU 215 Cb 1.26 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 3h6u h LEU 215 CO 0.60 0.38 -0.01 -0.90 -1.08 0.00 0.00 178.44 177.43 3h6u n ASP 216 N -3.23 -1.36 -3.68 -0.43 5.75 -1.26 -4.92 116.55 107.42 3h6u n ASP 216 Ca 0.02 -2.48 -0.18 0.00 -0.01 0.00 0.00 54.79 52.14 3h6u n ASP 216 Cb 0.66 2.41 -0.17 0.00 -1.03 0.00 0.00 41.12 42.99 3h6u n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3h6u s SER 217 N -2.75 0.87 0.00 -1.12 0.01 -1.26 -4.10 113.70 105.36 3h6u s SER 217 Ca 0.20 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.61 3h6u s SER 217 Cb -0.02 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3h6u s SER 217 CO 0.15 -0.23 0.00 2.29 0.41 0.00 0.00 173.24 175.86 3h6u n LYS 218 N 5.13 0.00 -3.87 12.44 2.85 0.11 -5.01 118.16 129.82 3h6u n LYS 218 Ca -0.07 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.11 3h6u n LYS 218 Cb 0.50 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.87 3h6u n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3h6u s GLY 219 N -0.09 0.12 0.01 2.58 0.00 -1.26 -1.00 107.32 107.68 3h6u s GLY 219 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 3h6u s GLY 219 CO 0.00 -0.22 0.24 -0.19 0.00 0.00 0.00 173.10 172.94 3h6u s TYR 220 N -3.53 3.56 0.09 1.90 2.02 -0.20 -1.57 117.35 119.62 3h6u s TYR 220 Ca 0.14 0.48 0.03 0.00 -0.37 0.00 0.00 57.07 57.35 3h6u s TYR 220 Cb -0.05 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3h6u s TYR 220 CO 0.09 0.61 -0.08 0.20 -1.57 0.00 0.00 175.55 174.79 3h6u s GLY 221 N -1.87 0.78 -0.05 0.71 0.00 -0.75 -0.97 107.32 105.16 3h6u s GLY 221 Ca 0.29 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 3h6u s GLY 221 CO 0.18 -1.28 0.86 -0.42 0.00 0.00 0.00 173.10 172.45 3h6u s ILE 222 N -2.74 4.93 0.02 0.90 1.01 -1.26 -4.53 121.20 119.53 3h6u s ILE 222 Ca 0.06 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.52 3h6u s ILE 222 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3h6u s ILE 222 CO -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 174.94 175.09 3h6u s ALA 223 N 1.14 3.28 0.10 9.38 0.00 -0.76 -1.15 121.76 133.74 3h6u s ALA 223 Ca 0.45 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.45 3h6u s ALA 223 Cb -0.19 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3h6u s ALA 223 CO 0.22 0.66 -0.07 0.95 0.00 0.00 0.00 175.76 177.52 3h6u s THR 224 N -1.12 0.70 0.60 0.00 -4.23 -0.58 -0.14 115.64 110.87 3h6u s THR 224 Ca 0.21 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.62 3h6u s THR 224 Cb -0.12 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 3h6u s THR 224 CO 0.12 -0.85 1.31 -2.84 -0.54 0.00 0.00 174.62 171.82 3h6u s PRO 225 N -3.72 2.83 0.08 3.99 0.02 -1.26 -0.68 135.00 136.26 3h6u s PRO 225 Ca 0.11 2.10 -0.34 0.00 0.02 0.00 0.00 61.00 62.88 3h6u s PRO 225 Cb 0.04 -2.01 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 3h6u s PRO 225 CO -0.04 -1.39 1.64 1.17 -0.33 0.00 0.00 177.00 178.04 3h6u n LYS 226 N -1.53 2.03 -0.36 5.54 4.81 -1.26 -1.18 118.16 126.23 3h6u n LYS 226 Ca 0.13 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3h6u n LYS 226 Cb 0.47 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.01 3h6u n LYS 226 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h6u n GLY 227 N 3.61 1.56 3.62 3.14 0.00 -1.26 -4.98 105.19 110.87 3h6u n GLY 227 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 3h6u n GLY 227 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h6u n SER 228 N 0.00 1.88 0.08 1.61 2.88 -0.32 -4.85 113.62 114.90 3h6u n SER 228 Ca 0.00 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.79 3h6u n SER 228 Cb 0.00 -1.32 0.40 0.00 -0.75 0.00 0.00 64.21 62.54 3h6u n SER 228 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3h6u n SER 229 N 1.76 0.38 0.08 -3.46 3.41 -1.26 -2.54 113.62 111.98 3h6u n SER 229 Ca 0.12 0.60 -0.05 0.00 -0.26 0.00 0.00 58.87 59.28 3h6u n SER 229 Cb 0.30 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3h6u n SER 229 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h6u h LEU 230 N 0.00 0.00 -0.72 1.04 3.38 -1.96 -3.38 115.31 113.68 3h6u h LEU 230 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3h6u h LEU 230 Cb 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 3h6u h LEU 230 CO 0.00 0.90 -0.22 1.23 0.09 0.00 0.00 178.44 180.44 3h6u h GLY 231 N 2.86 0.39 0.49 0.83 0.00 -1.87 -2.31 103.07 103.47 3h6u h GLY 231 Ca -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3h6u h GLY 231 CO 0.12 -0.27 -0.45 -0.57 0.00 0.00 0.00 176.54 175.37 3h6u h ASN 232 N -0.03 -1.26 -0.91 0.19 -1.24 -1.80 -0.88 115.58 109.64 3h6u h ASN 232 Ca 0.33 0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.47 3h6u h ASN 232 Cb 0.55 0.43 -0.05 0.00 0.73 0.00 0.00 38.32 39.98 3h6u h ASN 232 CO -0.75 -0.59 0.60 0.00 -1.29 0.00 0.00 177.43 175.39 3h6u h ALA 233 N -0.59 1.17 -0.54 1.57 0.00 -1.77 -2.00 119.26 117.10 3h6u h ALA 233 Ca -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h6u h ALA 233 Cb 0.79 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h6u h ALA 233 CO -0.10 0.53 0.33 0.28 0.00 0.00 0.00 179.25 180.29 3h6u h VAL 234 N 1.21 1.15 -0.38 0.00 2.07 -1.24 0.19 116.25 119.26 3h6u h VAL 234 Ca 0.34 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3h6u h VAL 234 Cb -0.10 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3h6u h VAL 234 CO -0.09 0.16 0.20 -1.13 0.02 0.00 0.00 177.57 176.73 3h6u h ASN 235 N 0.72 0.48 -0.44 0.57 -1.24 -0.70 -0.58 115.58 114.39 3h6u h ASN 235 Ca 0.19 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 3h6u h ASN 235 Cb -0.04 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 3h6u h ASN 235 CO -0.04 0.45 0.14 -0.07 -1.29 0.00 0.00 177.43 176.62 3h6u h LEU 236 N 0.48 0.69 -0.48 0.34 3.38 -1.07 -2.11 115.31 116.55 3h6u h LEU 236 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3h6u h LEU 236 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3h6u h LEU 236 CO -0.02 0.67 0.09 0.00 0.09 0.00 0.00 178.44 179.28 3h6u h ALA 237 N 1.42 0.63 -0.59 1.53 0.00 -0.41 -1.06 119.26 120.78 3h6u h ALA 237 Ca 0.17 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3h6u h ALA 237 Cb 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h6u h ALA 237 CO -0.01 0.34 0.35 0.28 0.00 0.00 0.00 179.25 180.21 3h6u h VAL 238 N 0.65 1.03 -0.56 0.00 2.07 -0.68 0.26 116.25 119.03 3h6u h VAL 238 Ca 0.15 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3h6u h VAL 238 Cb 0.36 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3h6u h VAL 238 CO 0.01 0.12 0.20 -0.07 0.02 0.00 0.00 177.57 177.85 3h6u h LEU 239 N 0.67 0.78 -0.25 2.57 3.38 -1.10 0.15 115.31 121.52 3h6u h LEU 239 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h6u h LEU 239 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3h6u h LEU 239 CO -0.12 0.76 0.12 0.50 0.09 0.00 0.00 178.44 179.79 3h6u h LYS 240 N 0.77 0.35 -0.63 1.13 3.64 -0.72 0.49 116.57 121.59 3h6u h LYS 240 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3h6u h LYS 240 Cb 0.23 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3h6u h LYS 240 CO -0.01 0.34 0.37 -0.07 -2.27 0.00 0.00 179.45 177.81 3h6u h LEU 241 N 0.27 0.76 0.02 5.20 3.38 -0.72 0.02 115.31 124.24 3h6u h LEU 241 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h6u h LEU 241 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3h6u h LEU 241 CO -0.01 0.60 -0.01 -1.28 0.09 0.00 0.00 178.44 177.83 3h6u h SER 242 N 0.87 -0.02 0.36 -0.43 0.87 -0.51 -1.38 113.55 113.32 3h6u h SER 242 Ca 0.23 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3h6u h SER 242 Cb -0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3h6u h SER 242 CO -0.04 0.23 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.96 3h6u h GLU 243 N -0.27 0.00 -0.00 2.24 5.08 -0.37 -1.96 114.58 119.30 3h6u h GLU 243 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h6u h GLU 243 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3h6u h GLU 243 CO 0.00 0.20 -0.09 1.04 -1.00 0.00 0.00 179.01 179.16 3h6u n GLN 244 N -3.88 0.58 -1.01 2.33 6.02 -0.06 -4.89 117.38 116.47 3h6u n GLN 244 Ca -0.02 -0.16 -0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3h6u n GLN 244 Cb 0.29 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 3h6u n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h6u n GLY 245 N 1.29 0.47 0.28 1.08 0.00 -0.74 -4.93 105.19 102.65 3h6u n GLY 245 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3h6u n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h6u h LEU 246 N 0.00 1.03 -0.49 0.99 7.12 -1.47 -2.02 115.31 120.46 3h6u h LEU 246 Ca -0.01 -0.42 -0.02 0.00 0.13 0.00 0.00 57.88 57.56 3h6u h LEU 246 Cb 0.07 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.89 3h6u h LEU 246 CO 0.01 1.23 0.24 -0.07 -0.13 0.00 0.00 178.44 179.71 3h6u h LEU 247 N 0.83 0.65 -0.75 2.25 3.38 -1.83 0.22 115.31 120.05 3h6u h LEU 247 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3h6u h LEU 247 Cb 0.87 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3h6u h LEU 247 CO 0.08 0.59 0.35 -0.78 0.09 0.00 0.00 178.44 178.77 3h6u h ASP 248 N 0.65 0.99 -0.85 -0.43 3.58 -1.86 -1.30 116.42 117.21 3h6u h ASP 248 Ca 0.17 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 3h6u h ASP 248 Cb 0.12 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 3h6u h ASP 248 CO -0.02 0.86 0.42 0.50 -2.88 0.00 0.00 179.24 178.12 3h6u h LYS 249 N 1.06 1.22 -0.32 0.28 3.64 -0.87 -1.89 116.57 119.69 3h6u h LYS 249 Ca 0.26 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3h6u h LYS 249 Cb 0.14 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3h6u h LYS 249 CO -0.03 0.93 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.61 3h6u h LEU 250 N 1.21 0.82 -0.54 5.20 3.38 -0.48 -1.71 115.31 123.20 3h6u h LEU 250 Ca 0.29 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3h6u h LEU 250 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3h6u h LEU 250 CO -0.04 1.12 0.05 0.50 0.09 0.00 0.00 178.44 180.16 3h6u h LYS 251 N 0.62 0.91 -0.70 1.13 3.64 -0.96 -2.13 116.57 119.08 3h6u h LYS 251 Ca 0.05 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 3h6u h LYS 251 Cb 0.96 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 3h6u h LYS 251 CO 0.09 0.91 0.24 -0.91 -2.27 0.00 0.00 179.45 177.50 3h6u h ASN 252 N 0.79 0.99 -0.44 4.20 2.35 -1.28 0.47 115.58 122.66 3h6u h ASN 252 Ca 0.16 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3h6u h ASN 252 Cb 0.46 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3h6u h ASN 252 CO 0.02 0.91 0.27 0.50 -1.65 0.00 0.00 177.43 177.48 3h6u h LYS 253 N 1.03 0.54 0.00 0.81 3.64 -0.96 0.41 116.57 122.04 3h6u h LYS 253 Ca 0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3h6u h LYS 253 Cb 0.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3h6u h LYS 253 CO -0.01 0.36 -0.79 0.91 -2.27 0.00 0.00 179.45 177.64 3h6u n TRP 254 N -4.82 0.21 -0.10 1.91 7.02 -0.83 -4.24 117.44 116.60 3h6u n TRP 254 Ca 0.02 0.06 -0.22 0.00 -1.02 0.00 0.00 57.50 56.34 3h6u n TRP 254 Cb 0.05 -0.38 -0.07 0.00 -2.42 0.00 0.00 31.31 28.49 3h6u n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3h6u n TRP 255 N -1.81 0.00 -0.03 -5.99 8.01 0.14 -4.85 117.44 112.91 3h6u n TRP 255 Ca 0.03 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.19 3h6u n TRP 255 Cb 0.40 -0.73 -0.03 0.00 -2.01 0.00 0.00 31.31 28.93 3h6u n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h6u n TYR 256 N -3.92 0.00 -0.32 -5.99 4.01 -0.79 -4.26 117.16 105.89 3h6u n TYR 256 Ca -0.40 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.45 3h6u n TYR 256 Cb 0.78 -0.25 0.24 0.00 -0.31 0.00 0.00 39.34 39.80 3h6u n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3h6u h ASP 257 N 0.00 -0.45 -0.63 7.72 5.19 -0.38 -0.01 116.42 127.86 3h6u h ASP 257 Ca -0.14 0.25 -0.44 0.00 -0.62 0.00 0.00 57.03 56.08 3h6u h ASP 257 Cb 1.26 0.44 -0.30 0.00 0.18 0.00 0.00 39.33 40.91 3h6u h ASP 257 CO -0.01 -0.29 -0.39 0.29 -3.12 0.00 0.00 179.24 175.72 3h6u n LYS 258 N -5.44 2.92 -1.70 3.56 5.02 -1.26 -5.05 118.16 116.21 3h6u n LYS 258 Ca 0.20 -3.76 -0.38 0.00 -2.02 0.00 0.00 58.31 52.35 3h6u n LYS 258 Cb 0.65 -2.12 0.06 0.00 -0.02 0.00 0.00 35.03 33.59 3h6u n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6u n GLY 259 N -0.87 0.33 0.93 0.72 0.00 -0.02 -4.92 105.19 101.37 3h6u n GLY 259 Ca 0.42 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.41 3h6u n GLY 259 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h6u n GLU 260 N -1.44 2.85 -1.62 1.61 1.02 0.16 -4.52 120.64 118.70 3h6u n GLU 260 Ca 0.14 -2.32 -0.15 0.00 -0.02 0.00 0.00 57.16 54.81 3h6u n GLU 260 Cb 0.47 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.56 3h6u n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31