#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2e s TRP 3 N 0.00 3.69 -0.72 5.64 0.52 -1.26 -4.96 118.94 121.85 3h2e s TRP 3 Ca 0.00 1.35 0.11 0.00 0.02 0.00 0.00 56.10 57.58 3h2e s TRP 3 Cb 0.00 -2.75 0.56 0.00 -1.15 0.00 0.00 33.47 30.13 3h2e s TRP 3 CO 0.00 0.27 1.38 -0.40 0.02 0.00 0.00 176.95 178.22 3h2e n ASP 4 N 2.95 4.10 -3.75 2.95 3.85 -1.26 -4.86 116.55 120.52 3h2e n ASP 4 Ca -0.04 -2.55 -0.12 0.00 -0.71 0.00 0.00 54.79 51.38 3h2e n ASP 4 Cb 0.51 -0.59 -0.07 0.00 -1.35 0.00 0.00 41.12 39.61 3h2e n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2e s TYR 5 N -2.09 -0.11 0.32 2.11 -0.85 -1.26 -5.17 117.35 110.29 3h2e s TYR 5 Ca 0.38 0.00 -0.01 0.00 -0.52 0.00 0.00 57.07 56.92 3h2e s TYR 5 Cb 0.28 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 3h2e s TYR 5 CO 0.13 -0.49 0.54 -0.51 -1.52 0.00 0.00 175.55 173.70 3h2e s ASP 6 N -1.99 6.33 -0.25 -0.18 1.01 -1.26 -4.60 116.67 115.74 3h2e s ASP 6 Ca -0.06 0.51 -0.23 0.00 0.71 0.00 0.00 52.55 53.48 3h2e s ASP 6 Cb -0.01 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 3h2e s ASP 6 CO -0.03 -0.25 0.76 -0.22 0.21 0.00 0.00 175.17 175.64 3h2e s LEU 7 N -4.06 4.07 -0.25 1.23 1.98 0.48 -4.92 118.68 117.21 3h2e s LEU 7 Ca 0.41 0.92 -0.15 0.00 -2.89 0.00 0.00 54.13 52.42 3h2e s LEU 7 Cb -0.10 -3.07 -0.04 0.00 0.66 0.00 0.00 46.19 43.64 3h2e s LEU 7 CO 0.34 -0.47 0.35 -0.13 -1.89 0.00 0.00 176.35 174.56 3h2e s ARG 8 N 2.73 4.06 -0.52 1.98 1.81 -1.26 -0.76 118.95 126.98 3h2e s ARG 8 Ca 0.32 0.04 0.07 0.00 -1.72 0.00 0.00 55.73 54.44 3h2e s ARG 8 Cb -0.15 -3.61 0.33 0.00 -0.45 0.00 0.00 34.95 31.06 3h2e s ARG 8 CO 0.08 -0.18 0.84 0.00 -0.68 0.00 0.00 175.30 175.36 3h2e n GLY 10 N 0.12 3.25 0.30 0.00 0.00 -1.26 -1.22 105.19 106.38 3h2e n GLY 10 Ca 0.29 0.24 0.18 0.00 0.00 0.00 0.00 46.02 46.73 3h2e n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h2e h GLU 11 N 0.00 0.00 -6.44 1.61 5.08 -2.02 -3.44 114.58 109.37 3h2e h GLU 11 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3h2e h GLU 11 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3h2e h GLU 11 CO 0.00 0.03 -0.71 0.71 -1.00 0.00 0.00 179.01 178.04 3h2e s TYR 12 N -4.14 2.70 -0.05 4.33 1.51 -0.36 -5.13 117.35 116.22 3h2e s TYR 12 Ca -0.03 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3h2e s TYR 12 Cb 0.13 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3h2e s TYR 12 CO 0.50 0.50 -0.11 0.99 -1.11 0.00 0.00 175.55 176.31 3h2e s THR 13 N -1.63 1.03 -0.26 -0.71 2.01 -1.26 -0.67 115.64 114.15 3h2e s THR 13 Ca 0.25 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3h2e s THR 13 Cb -0.09 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.51 3h2e s THR 13 CO 0.16 0.32 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.62 3h2e s LEU 14 N 0.49 3.36 0.06 4.42 1.43 0.06 -4.97 118.68 123.53 3h2e s LEU 14 Ca -0.10 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 3h2e s LEU 14 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3h2e s LEU 14 CO 0.02 -0.14 0.95 0.21 0.23 0.00 0.00 176.35 177.62 3h2e s ASN 15 N 1.37 7.43 0.00 2.29 3.84 -1.26 -0.39 114.94 128.21 3h2e s ASN 15 Ca 0.01 1.71 0.25 0.00 0.21 0.00 0.00 52.86 55.04 3h2e s ASN 15 Cb -0.17 -2.57 0.41 0.00 -0.55 0.00 0.00 41.25 38.37 3h2e s ASN 15 CO -0.03 -0.13 1.34 0.18 -2.79 0.00 0.00 177.10 175.68 3h2e n LEU 16 N 3.21 1.16 -0.03 3.21 4.77 -1.26 -4.33 117.00 123.74 3h2e n LEU 16 Ca 0.03 -0.36 0.06 0.00 -0.03 0.00 0.00 56.01 55.71 3h2e n LEU 16 Cb 0.50 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3h2e n LEU 16 CO 0.51 0.23 -0.80 0.59 -1.33 0.00 0.00 177.39 176.59 3h2e n ASN 17 N -0.76 0.61 -0.05 -1.43 3.02 -1.26 -4.68 115.26 110.70 3h2e n ASN 17 Ca 0.09 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.49 3h2e n ASN 17 Cb 0.37 1.68 -0.07 0.00 -0.61 0.00 0.00 39.78 41.16 3h2e n ASN 17 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3h2e h GLU 18 N 0.00 0.70 -2.10 3.52 5.08 -1.92 -3.48 114.58 116.39 3h2e h GLU 18 Ca -0.10 -0.50 0.14 0.00 -1.00 0.00 0.00 59.36 57.90 3h2e h GLU 18 Cb 1.13 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 3h2e h GLU 18 CO 0.01 1.12 0.57 -1.59 -1.00 0.00 0.00 179.01 178.11 3h2e s LYS 19 N -3.92 0.71 0.21 2.33 -2.85 -1.26 -4.93 119.74 110.02 3h2e s LYS 19 Ca -0.12 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 3h2e s LYS 19 Cb 0.08 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 3h2e s LYS 19 CO 0.86 -0.31 1.36 0.99 0.10 0.00 0.00 175.35 178.35 3h2e s THR 20 N -2.96 3.03 -0.03 3.79 2.01 -1.26 -4.88 115.64 115.33 3h2e s THR 20 Ca 0.06 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 3h2e s THR 20 Cb -0.01 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 3h2e s THR 20 CO -0.08 0.12 0.58 -0.76 -0.69 0.00 0.00 174.62 173.79 3h2e s LEU 21 N -0.08 4.38 -0.29 4.42 1.43 -0.44 -4.97 118.68 123.13 3h2e s LEU 21 Ca 0.58 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 3h2e s LEU 21 Cb -0.38 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3h2e s LEU 21 CO 0.39 0.07 0.16 -0.63 0.23 0.00 0.00 176.35 176.57 3h2e s ILE 22 N 0.04 4.85 -0.36 -0.59 -1.09 -1.26 -1.31 121.20 121.47 3h2e s ILE 22 Ca 0.30 -0.15 -0.13 0.00 -2.23 0.00 0.00 60.65 58.44 3h2e s ILE 22 Cb -0.17 -3.38 -0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3h2e s ILE 22 CO 0.16 0.18 0.26 -0.32 -1.23 0.00 0.00 174.94 173.98 3h2e s MET 23 N 1.67 3.29 0.04 2.79 -2.45 0.17 -0.28 119.30 124.53 3h2e s MET 23 Ca 0.06 -0.79 -0.22 0.00 -1.25 0.00 0.00 55.69 53.49 3h2e s MET 23 Cb -0.16 -3.86 -0.06 0.00 1.25 0.00 0.00 34.83 32.00 3h2e s MET 23 CO 0.08 -0.56 0.67 0.20 1.05 0.00 0.00 175.02 176.46 3h2e s GLY 24 N 1.70 2.71 -0.35 2.11 0.00 -0.08 -1.08 107.32 112.34 3h2e s GLY 24 Ca 0.06 0.15 -0.21 0.00 0.00 0.00 0.00 44.72 44.72 3h2e s GLY 24 CO 0.10 0.85 0.67 -0.42 0.00 0.00 0.00 173.10 174.31 3h2e s ILE 25 N -0.33 4.86 0.14 0.90 1.01 -0.43 -0.54 121.20 126.80 3h2e s ILE 25 Ca 0.34 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 3h2e s ILE 25 Cb -0.20 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 3h2e s ILE 25 CO 0.20 -0.32 1.28 -0.22 0.00 0.00 0.00 174.94 175.88 3h2e s LEU 26 N 2.79 4.40 -0.48 2.97 2.96 -0.30 -4.84 118.68 126.18 3h2e s LEU 26 Ca 0.26 2.25 -0.26 0.00 -0.22 0.00 0.00 54.13 56.16 3h2e s LEU 26 Cb -0.14 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 3h2e s LEU 26 CO 0.15 -0.52 2.41 0.59 -1.32 0.00 0.00 176.35 177.66 3h2e n ASN 27 N 3.30 2.33 -4.35 3.68 3.02 -1.26 -4.79 115.26 117.19 3h2e n ASN 27 Ca 0.08 -0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 53.82 3h2e n ASN 27 Cb 0.44 -1.57 -0.13 0.00 -0.61 0.00 0.00 39.78 37.92 3h2e n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3h2e s VAL 28 N 11.87 3.96 0.00 2.41 0.11 -1.26 -4.60 120.40 132.89 3h2e s VAL 28 Ca 0.99 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 3h2e s VAL 28 Cb -0.22 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 3h2e s VAL 28 CO 0.27 0.11 0.00 0.41 -3.33 0.00 0.00 175.10 172.56 3h2e n THR 29 N 4.87 0.00 -1.41 5.04 -1.04 -1.26 -5.11 114.28 115.37 3h2e n THR 29 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3h2e n THR 29 Cb 0.48 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3h2e n THR 29 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3h2e n SER 34 N -0.49 -5.70 -0.83 8.00 2.88 -1.26 -5.02 113.62 111.19 3h2e n SER 34 Ca 0.00 1.21 0.07 0.00 -1.33 0.00 0.00 58.87 58.81 3h2e n SER 34 Cb 0.00 -3.95 0.19 0.00 -0.75 0.00 0.00 64.21 59.70 3h2e n SER 34 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3h2e n ASP 35 N -2.22 2.42 0.00 -3.46 3.85 -1.26 -4.99 116.55 110.88 3h2e n ASP 35 Ca 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 3h2e n ASP 35 Cb 0.28 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 3h2e n ASP 35 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h2e n GLY 36 N 1.12 3.70 2.16 6.12 0.00 -1.26 -4.20 105.19 112.82 3h2e n GLY 36 Ca 0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 3h2e n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2e n GLY 37 N -1.28 0.46 3.81 -0.02 0.00 -1.24 -4.87 105.19 102.04 3h2e n GLY 37 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3h2e n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2e s SER 38 N -2.17 5.74 0.13 1.61 1.04 -1.26 -4.86 113.70 113.92 3h2e s SER 38 Ca 0.00 1.74 -0.22 0.00 0.48 0.00 0.00 55.95 57.95 3h2e s SER 38 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 3h2e s SER 38 CO 0.00 -1.20 1.68 0.22 0.98 0.00 0.00 173.24 174.92 3h2e h TYR 39 N 0.15 -0.33 -0.56 5.02 3.20 -1.99 -2.12 116.97 120.34 3h2e h TYR 39 Ca -0.46 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.49 3h2e h TYR 39 Cb 1.21 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.59 3h2e h TYR 39 CO 0.60 -0.20 0.26 -0.91 -1.64 0.00 0.00 178.16 176.27 3h2e h ASN 40 N -0.17 0.34 -0.13 -2.11 2.35 -1.98 0.22 115.58 114.09 3h2e h ASN 40 Ca 0.08 0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 3h2e h ASN 40 Cb 0.29 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.66 3h2e h ASN 40 CO -0.21 0.22 -0.74 1.05 -1.65 0.00 0.00 177.43 176.10 3h2e h GLU 41 N 0.49 0.74 -0.24 0.81 4.11 -1.92 -1.96 114.58 116.60 3h2e h GLU 41 Ca 0.26 -0.61 -0.16 0.00 0.07 0.00 0.00 59.36 58.92 3h2e h GLU 41 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h2e h GLU 41 CO -0.21 1.22 -0.48 0.28 0.07 0.00 0.00 179.01 179.89 3h2e h VAL 42 N 0.44 1.30 -0.47 -1.06 2.07 -1.09 -1.95 116.25 115.49 3h2e h VAL 42 Ca -0.06 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 3h2e h VAL 42 Cb 1.38 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3h2e h VAL 42 CO 0.15 0.54 0.18 -0.78 0.02 0.00 0.00 177.57 177.68 3h2e h ASP 43 N 0.51 0.65 -0.53 0.57 3.58 -0.58 -0.96 116.42 119.67 3h2e h ASP 43 Ca 0.03 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.36 3h2e h ASP 43 Cb 1.03 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 3h2e h ASP 43 CO 0.10 0.64 0.24 0.00 -2.88 0.00 0.00 179.24 177.33 3h2e h ALA 44 N 1.03 0.67 -0.24 -0.78 0.00 -1.25 -1.72 119.26 116.96 3h2e h ALA 44 Ca 0.16 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3h2e h ALA 44 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3h2e h ALA 44 CO -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.18 3h2e h ALA 45 N 1.31 0.27 -0.34 0.00 0.00 -1.07 -0.90 119.26 118.53 3h2e h ALA 45 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h2e h ALA 45 Cb 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3h2e h ALA 45 CO -0.20 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.15 3h2e h VAL 46 N 0.18 1.16 -0.71 0.00 2.07 -1.02 -1.24 116.25 116.70 3h2e h VAL 46 Ca 0.11 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3h2e h VAL 46 Cb 0.08 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3h2e h VAL 46 CO -0.12 0.17 0.46 -0.09 0.02 0.00 0.00 177.57 178.01 3h2e h ARG 47 N 0.41 0.95 -0.61 1.57 2.43 -1.20 -0.17 114.38 117.76 3h2e h ARG 47 Ca 0.12 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3h2e h ARG 47 Cb 0.11 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3h2e h ARG 47 CO -0.02 0.65 0.20 1.25 -1.51 0.00 0.00 179.97 180.54 3h2e h HIS 48 N 0.97 0.98 -0.72 2.20 2.76 -0.98 -1.64 115.15 118.72 3h2e h HIS 48 Ca 0.26 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3h2e h HIS 48 Cb -0.08 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.56 3h2e h HIS 48 CO -0.02 0.81 0.25 0.00 -1.30 0.00 0.00 177.93 177.67 3h2e h ALA 49 N 1.07 0.94 -0.70 5.26 0.00 -0.94 -0.61 119.26 124.28 3h2e h ALA 49 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h2e h ALA 49 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3h2e h ALA 49 CO -0.01 0.59 0.34 0.87 0.00 0.00 0.00 179.25 181.05 3h2e h LYS 50 N 1.04 1.01 -0.35 0.00 1.57 -0.89 -0.44 116.57 118.52 3h2e h LYS 50 Ca 0.24 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3h2e h LYS 50 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3h2e h LYS 50 CO -0.01 0.79 0.19 1.49 -0.57 0.00 0.00 179.45 181.34 3h2e h GLU 51 N 0.98 0.48 -0.70 3.15 4.81 -0.96 -1.87 114.58 120.47 3h2e h GLU 51 Ca 0.24 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3h2e h GLU 51 Cb 0.11 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3h2e h GLU 51 CO -0.03 0.39 0.34 0.52 -0.73 0.00 0.00 179.01 179.50 3h2e h MET 52 N 0.44 1.01 -0.12 1.92 2.86 -0.92 -1.14 114.93 118.98 3h2e h MET 52 Ca 0.12 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3h2e h MET 52 Cb 0.05 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.48 3h2e h MET 52 CO -0.02 0.79 -0.19 -0.09 1.06 0.00 0.00 176.91 178.47 3h2e h ARG 53 N 0.98 -0.23 0.00 1.72 1.12 -0.93 -0.90 114.38 116.14 3h2e h ARG 53 Ca 0.24 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.11 3h2e h ARG 53 Cb 0.11 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.12 3h2e h ARG 53 CO -0.03 -0.15 -0.07 -0.44 -3.11 0.00 0.00 179.97 176.16 3h2e h ASP 54 N -0.24 0.00 0.25 -3.80 3.32 -0.93 -2.44 116.42 112.59 3h2e h ASP 54 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3h2e h ASP 54 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3h2e h ASP 54 CO -0.26 0.07 -0.12 -0.62 -1.72 0.00 0.00 179.24 176.59 3h2e n GLU 55 N -4.25 0.88 0.00 3.56 1.02 -0.47 -4.93 120.64 116.46 3h2e n GLU 55 Ca -0.03 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 3h2e n GLU 55 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3h2e n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h2e n GLY 56 N 1.26 1.46 3.77 0.62 0.00 -0.92 -4.17 105.19 107.21 3h2e n GLY 56 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3h2e n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e s ALA 57 N -2.00 3.26 -0.03 4.61 0.00 -0.39 -4.72 121.76 122.48 3h2e s ALA 57 Ca 0.00 1.08 0.20 0.00 0.00 0.00 0.00 51.96 53.25 3h2e s ALA 57 Cb 0.00 -3.42 -0.31 0.00 0.00 0.00 0.00 23.12 19.38 3h2e s ALA 57 CO 0.00 -0.60 0.44 0.72 0.00 0.00 0.00 175.76 176.32 3h2e n HIS 58 N 0.30 0.00 -3.86 0.00 8.25 0.61 -4.71 115.22 115.82 3h2e n HIS 58 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 3h2e n HIS 58 Cb 0.45 -0.48 -0.12 0.00 1.12 0.00 0.00 29.99 30.96 3h2e n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2e s ILE 59 N -3.39 0.03 -0.23 1.59 1.01 -0.92 -4.08 121.20 115.21 3h2e s ILE 59 Ca -0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3h2e s ILE 59 Cb 0.13 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.38 3h2e s ILE 59 CO 0.85 -0.12 0.05 -0.63 0.00 0.00 0.00 174.94 175.08 3h2e s ILE 60 N -0.37 4.25 -0.26 2.92 -1.09 -0.52 -0.90 121.20 125.23 3h2e s ILE 60 Ca -0.04 -0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 3h2e s ILE 60 Cb -0.03 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 3h2e s ILE 60 CO 0.00 0.38 0.21 -0.62 -1.23 0.00 0.00 174.94 173.68 3h2e s ASP 61 N 1.27 6.10 -0.16 3.58 3.68 0.30 -0.81 116.67 130.64 3h2e s ASP 61 Ca 0.04 0.10 0.02 0.00 2.13 0.00 0.00 52.55 54.84 3h2e s ASP 61 Cb -0.15 -2.13 0.02 0.00 -1.45 0.00 0.00 42.92 39.21 3h2e s ASP 61 CO 0.03 -0.02 -0.20 -0.63 0.13 0.00 0.00 175.17 174.47 3h2e s ILE 62 N 1.50 2.00 0.10 4.11 1.01 -0.16 -1.15 121.20 128.62 3h2e s ILE 62 Ca 0.09 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.87 3h2e s ILE 62 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3h2e s ILE 62 CO 0.08 0.54 -0.16 -0.83 0.00 0.00 0.00 174.94 174.56 3h2e s GLY 63 N 1.06 1.05 0.00 6.18 0.00 -1.26 -1.04 107.32 113.31 3h2e s GLY 63 Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3h2e s GLY 63 CO -0.07 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.45 3h2e n GLY 64 N 1.02 4.36 0.07 0.20 0.00 -1.26 -4.81 105.19 104.77 3h2e n GLY 64 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3h2e n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h2e n VAL 74 N 0.00 -0.31 -1.65 1.61 0.31 -1.26 -5.07 118.33 111.97 3h2e n VAL 74 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3h2e n VAL 74 Cb 0.00 -0.31 0.11 0.00 -0.91 0.00 0.00 33.84 32.73 3h2e n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h2e s SER 75 N -0.01 4.17 0.30 4.52 1.04 -1.26 -4.86 113.70 117.59 3h2e s SER 75 Ca 0.00 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.51 3h2e s SER 75 Cb 0.00 -1.66 0.66 0.00 0.10 0.00 0.00 66.02 65.12 3h2e s SER 75 CO 0.00 -2.14 1.80 0.58 0.98 0.00 0.00 173.24 174.46 3h2e h VAL 76 N -1.22 0.80 0.39 5.02 2.07 -2.05 -2.03 116.25 119.23 3h2e h VAL 76 Ca -0.48 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3h2e h VAL 76 Cb 1.31 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3h2e h VAL 76 CO 0.62 0.16 -0.19 -0.33 0.02 0.00 0.00 177.57 177.85 3h2e h GLU 77 N 0.87 -0.51 -0.68 1.57 3.07 -2.00 -1.71 114.58 115.19 3h2e h GLU 77 Ca 0.54 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.51 3h2e h GLU 77 Cb 0.72 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.70 3h2e h GLU 77 CO -0.33 -0.33 0.45 0.93 -1.40 0.00 0.00 179.01 178.34 3h2e h GLU 78 N -0.54 0.61 -0.15 2.33 3.07 -1.82 -2.18 114.58 115.91 3h2e h GLU 78 Ca -0.05 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 3h2e h GLU 78 Cb 0.41 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3h2e h GLU 78 CO 0.09 0.40 -0.23 1.49 -1.40 0.00 0.00 179.01 179.36 3h2e h GLU 79 N 0.63 0.41 -0.43 2.33 4.81 -1.07 -2.54 114.58 118.73 3h2e h GLU 79 Ca 0.30 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3h2e h GLU 79 Cb 0.37 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3h2e h GLU 79 CO -0.10 0.84 0.19 0.82 -0.73 0.00 0.00 179.01 180.03 3h2e h ILE 80 N 0.03 1.19 -0.57 2.32 2.04 -1.17 0.97 117.51 122.31 3h2e h ILE 80 Ca 0.01 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.39 3h2e h ILE 80 Cb 0.80 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3h2e h ILE 80 CO 0.05 0.21 0.38 0.50 0.00 0.00 0.00 178.15 179.29 3h2e h LYS 81 N 0.55 0.44 0.04 2.37 3.64 -1.40 0.02 116.57 122.23 3h2e h LYS 81 Ca 0.15 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 3h2e h LYS 81 Cb 0.16 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3h2e h LYS 81 CO -0.02 0.29 -0.68 0.00 -2.27 0.00 0.00 179.45 176.78 3h2e h ARG 82 N 0.45 0.09 -0.06 1.90 3.08 -1.12 -3.29 114.38 115.43 3h2e h ARG 82 Ca 0.26 -0.15 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 3h2e h ARG 82 Cb 0.42 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.54 3h2e h ARG 82 CO -0.07 1.07 -0.93 -0.24 -1.07 0.00 0.00 179.97 178.73 3h2e h VAL 83 N -0.78 1.29 -0.40 2.04 3.04 -0.53 -3.35 116.25 117.55 3h2e h VAL 83 Ca -0.16 -2.16 -0.01 0.00 -1.01 0.00 0.00 66.70 63.37 3h2e h VAL 83 Cb 1.31 2.23 -0.02 0.00 -2.01 0.00 0.00 31.29 32.79 3h2e h VAL 83 CO -0.02 0.67 0.23 0.58 -1.01 0.00 0.00 177.57 178.02 3h2e h VAL 84 N 0.43 1.15 -0.42 1.51 2.07 -1.22 -1.89 116.25 117.87 3h2e h VAL 84 Ca -0.10 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3h2e h VAL 84 Cb 1.57 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3h2e h VAL 84 CO 0.18 0.15 0.23 -0.65 0.02 0.00 0.00 177.57 177.50 3h2e h PRO 85 N 0.53 0.58 -0.17 1.57 0.11 -1.79 -0.75 132.00 132.07 3h2e h PRO 85 Ca 0.14 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3h2e h PRO 85 Cb 0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3h2e h PRO 85 CO -0.02 0.43 0.00 0.52 -0.21 0.00 0.00 178.00 178.72 3h2e h MET 86 N 0.59 0.30 -0.87 1.05 2.86 -1.59 -1.78 114.93 115.49 3h2e h MET 86 Ca 0.15 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3h2e h MET 86 Cb 0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3h2e h MET 86 CO -0.02 0.51 0.52 0.82 1.06 0.00 0.00 176.91 179.80 3h2e h ILE 87 N 0.05 1.24 -0.09 -1.22 2.04 -1.06 -0.39 117.51 118.08 3h2e h ILE 87 Ca 0.05 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3h2e h ILE 87 Cb 0.38 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3h2e h ILE 87 CO 0.01 0.26 0.04 1.56 0.00 0.00 0.00 178.15 180.01 3h2e h GLN 88 N 1.20 0.14 -0.23 2.37 4.20 -1.05 0.11 115.11 121.84 3h2e h GLN 88 Ca 0.31 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 3h2e h GLN 88 Cb -0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3h2e h GLN 88 CO -0.06 0.26 0.03 0.00 -0.67 0.00 0.00 178.83 178.40 3h2e h ALA 89 N 0.87 0.31 -0.23 3.87 0.00 -1.19 -2.60 119.26 120.29 3h2e h ALA 89 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3h2e h ALA 89 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h2e h ALA 89 CO -0.00 -0.01 0.06 0.28 0.00 0.00 0.00 179.25 179.58 3h2e h VAL 90 N 0.18 1.21 -0.69 0.00 2.07 -1.03 -1.56 116.25 116.44 3h2e h VAL 90 Ca 0.07 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3h2e h VAL 90 Cb 0.33 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3h2e h VAL 90 CO 0.01 0.21 0.46 0.77 0.02 0.00 0.00 177.57 179.03 3h2e h SER 91 N 0.19 0.77 0.23 0.57 4.64 -1.01 0.23 113.55 119.17 3h2e h SER 91 Ca 0.07 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 3h2e h SER 91 Cb 0.27 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3h2e h SER 91 CO 0.00 0.55 -0.56 0.50 -0.87 0.00 0.00 176.83 176.45 3h2e h LYS 92 N 0.91 0.35 0.00 4.77 3.64 -1.29 -3.37 116.57 121.58 3h2e h LYS 92 Ca 0.26 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3h2e h LYS 92 Cb -0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3h2e h LYS 92 CO -0.06 0.81 -1.26 0.39 -2.27 0.00 0.00 179.45 177.07 3h2e n GLU 93 N -3.92 1.22 -4.02 1.90 1.02 -0.60 -4.92 120.64 111.32 3h2e n GLU 93 Ca -0.03 -0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 3h2e n GLU 93 Cb 0.59 -1.27 -0.17 0.00 -0.02 0.00 0.00 31.44 30.58 3h2e n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2e s VAL 94 N -2.73 1.41 -1.33 2.62 1.01 0.73 -5.01 120.40 117.10 3h2e s VAL 94 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3h2e s VAL 94 Cb 0.10 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 35.27 3h2e s VAL 94 CO 0.59 0.43 2.00 0.29 0.00 0.00 0.00 175.10 178.42 3h2e n LYS 95 N 4.78 3.52 -3.98 2.72 5.02 -1.26 -4.58 118.16 124.38 3h2e n LYS 95 Ca -0.16 -3.30 -0.09 0.00 -2.02 0.00 0.00 58.31 52.74 3h2e n LYS 95 Cb 0.50 -2.98 -0.11 0.00 -0.02 0.00 0.00 35.03 32.43 3h2e n LYS 95 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h2e s LEU 96 N 0.22 2.18 0.66 -0.35 1.43 -1.26 -5.13 118.68 116.42 3h2e s LEU 96 Ca 0.42 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3h2e s LEU 96 Cb 0.11 0.21 -0.00 0.00 0.03 0.00 0.00 46.19 46.54 3h2e s LEU 96 CO -0.02 -0.37 1.23 -2.16 0.23 0.00 0.00 176.35 175.26 3h2e s PRO 97 N -1.92 2.57 -0.08 1.29 0.04 -1.26 -4.83 135.00 130.81 3h2e s PRO 97 Ca -0.12 1.85 0.04 0.00 0.04 0.00 0.00 61.00 62.82 3h2e s PRO 97 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3h2e s PRO 97 CO -0.02 -1.53 -0.22 0.42 0.04 0.00 0.00 177.00 175.69 3h2e s ILE 98 N -1.70 1.85 -0.12 0.56 1.01 -1.26 -1.44 121.20 120.10 3h2e s ILE 98 Ca 0.77 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3h2e s ILE 98 Cb -0.32 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3h2e s ILE 98 CO 0.39 0.52 0.06 -0.94 0.00 0.00 0.00 174.94 174.96 3h2e s SER 99 N 0.31 5.66 -0.20 3.58 1.04 0.01 -0.04 113.70 124.05 3h2e s SER 99 Ca -0.15 0.22 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 3h2e s SER 99 Cb -0.17 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 3h2e s SER 99 CO 0.07 0.33 0.30 -0.51 0.98 0.00 0.00 173.24 174.41 3h2e s ILE 100 N -0.60 5.28 -0.75 -1.02 1.10 0.29 -0.98 121.20 124.52 3h2e s ILE 100 Ca 0.11 0.51 -0.17 0.00 -0.51 0.00 0.00 60.65 60.59 3h2e s ILE 100 Cb -0.12 -3.64 0.15 0.00 0.15 0.00 0.00 42.46 39.00 3h2e s ILE 100 CO 0.02 0.32 0.82 -0.62 -2.11 0.00 0.00 174.94 173.37 3h2e s ASP 101 N 0.88 6.47 -0.05 4.50 3.68 -0.21 -0.20 116.67 131.73 3h2e s ASP 101 Ca 0.15 -1.97 -0.23 0.00 2.13 0.00 0.00 52.55 52.63 3h2e s ASP 101 Cb -0.14 -2.30 0.05 0.00 -1.45 0.00 0.00 42.92 39.08 3h2e s ASP 101 CO 0.06 -0.94 0.51 0.28 0.13 0.00 0.00 175.17 175.21 3h2e s THR 102 N 1.92 0.02 -1.87 1.71 -1.32 -0.69 -4.38 115.64 111.04 3h2e s THR 102 Ca 0.18 -0.20 0.17 0.00 -1.21 0.00 0.00 61.69 60.64 3h2e s THR 102 Cb -0.15 -0.81 0.31 0.00 -1.51 0.00 0.00 72.50 70.34 3h2e s THR 102 CO -0.02 -0.11 1.23 0.00 -2.21 0.00 0.00 174.62 173.51 3h2e n TYR 103 N 1.28 0.36 -4.04 9.09 0.18 -1.26 -4.00 117.16 118.76 3h2e n TYR 103 Ca -0.19 -0.24 -0.35 0.00 1.88 0.00 0.00 57.90 58.99 3h2e n TYR 103 Cb 0.56 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 3h2e n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2e s LYS 104 N -1.25 3.67 0.19 -3.48 1.02 -1.26 -4.04 119.74 114.59 3h2e s LYS 104 Ca 0.29 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 3h2e s LYS 104 Cb 0.17 -3.13 0.10 0.00 -0.52 0.00 0.00 37.83 34.45 3h2e s LYS 104 CO 0.24 0.47 1.70 0.00 -0.92 0.00 0.00 175.35 176.84 3h2e h ALA 105 N 6.00 0.91 -0.22 5.17 0.00 -1.92 -2.12 119.26 127.09 3h2e h ALA 105 Ca -0.44 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 3h2e h ALA 105 Cb 1.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h2e h ALA 105 CO 0.65 0.65 -0.58 1.49 0.00 0.00 0.00 179.25 181.46 3h2e h GLU 106 N 1.04 0.69 0.11 0.00 4.57 -1.96 -1.81 114.58 117.23 3h2e h GLU 106 Ca 0.21 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3h2e h GLU 106 Cb 0.40 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3h2e h GLU 106 CO 0.01 1.08 -0.05 0.28 -1.18 0.00 0.00 179.01 179.14 3h2e h VAL 107 N 0.52 0.91 -0.51 0.32 2.07 -1.90 -0.90 116.25 116.76 3h2e h VAL 107 Ca 0.00 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3h2e h VAL 107 Cb 1.16 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3h2e h VAL 107 CO 0.12 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.92 3h2e h ALA 108 N 0.71 0.63 0.13 1.67 0.00 -1.34 0.25 119.26 121.32 3h2e h ALA 108 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h2e h ALA 108 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3h2e h ALA 108 CO 0.02 -0.19 -0.25 -0.22 0.00 0.00 0.00 179.25 178.62 3h2e h LYS 109 N 0.39 -0.45 -0.76 0.00 3.11 -1.20 0.19 116.57 117.85 3h2e h LYS 109 Ca 0.24 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 3h2e h LYS 109 Cb 0.24 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 3h2e h LYS 109 CO -0.23 -0.30 0.34 1.96 -2.81 0.00 0.00 179.45 178.42 3h2e h GLN 110 N -0.46 1.09 -0.44 1.90 1.08 -0.51 -1.30 115.11 116.46 3h2e h GLN 110 Ca 0.03 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 56.95 3h2e h GLN 110 Cb 0.48 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3h2e h GLN 110 CO -0.13 0.86 -0.16 0.00 -0.95 0.00 0.00 178.83 178.44 3h2e h ALA 111 N 1.30 0.62 -0.51 3.87 0.00 -0.21 0.81 119.26 125.13 3h2e h ALA 111 Ca 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3h2e h ALA 111 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h2e h ALA 111 CO -0.03 0.56 0.17 0.82 0.00 0.00 0.00 179.25 180.77 3h2e h ILE 112 N 0.73 1.23 -0.71 0.00 2.04 -0.63 -0.90 117.51 119.26 3h2e h ILE 112 Ca 0.11 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3h2e h ILE 112 Cb 0.72 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3h2e h ILE 112 CO 0.06 0.28 0.45 -0.33 0.00 0.00 0.00 178.15 178.60 3h2e h GLU 113 N 0.70 0.94 0.00 2.37 4.39 -0.99 -1.00 114.58 120.99 3h2e h GLU 113 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3h2e h GLU 113 Cb 0.26 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3h2e h GLU 113 CO -0.01 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.48 3h2e h ALA 114 N 1.53 1.00 0.00 3.43 0.00 -0.40 -3.46 119.26 121.36 3h2e h ALA 114 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h2e h ALA 114 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h2e h ALA 114 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3h2e n GLY 115 N -0.11 1.04 3.78 0.00 0.00 -0.38 -4.03 105.19 105.49 3h2e n GLY 115 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3h2e n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e s ALA 116 N -1.70 2.67 -0.03 4.61 0.00 -0.41 -4.78 121.76 122.12 3h2e s ALA 116 Ca 0.00 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.66 3h2e s ALA 116 Cb 0.00 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 3h2e s ALA 116 CO 0.00 -0.84 0.15 0.72 0.00 0.00 0.00 175.76 175.79 3h2e n HIS 117 N -1.71 0.00 -3.84 0.00 -0.00 0.94 -4.52 115.22 106.10 3h2e n HIS 117 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.70 3h2e n HIS 117 Cb 0.52 -0.24 -0.13 0.00 -0.00 0.00 0.00 29.99 30.14 3h2e n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2e s ILE 118 N -2.51 -0.00 -0.22 1.59 1.01 -0.91 -4.07 121.20 116.09 3h2e s ILE 118 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3h2e s ILE 118 Cb 0.05 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 3h2e s ILE 118 CO 0.35 0.01 0.14 -0.63 0.00 0.00 0.00 174.94 174.80 3h2e s ILE 119 N 0.13 5.36 -0.40 2.92 1.01 -0.75 -0.55 121.20 128.92 3h2e s ILE 119 Ca -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 3h2e s ILE 119 Cb -0.01 -3.47 0.10 0.00 0.01 0.00 0.00 42.46 39.09 3h2e s ILE 119 CO -0.00 0.40 0.20 0.21 0.00 0.00 0.00 174.94 175.75 3h2e s ASN 120 N 0.67 5.32 -0.35 3.58 2.47 0.72 -0.25 114.94 127.09 3h2e s ASN 120 Ca 0.08 -1.84 -0.08 0.00 0.42 0.00 0.00 52.86 51.44 3h2e s ASN 120 Cb -0.12 -1.86 0.04 0.00 -1.45 0.00 0.00 41.25 37.86 3h2e s ASN 120 CO 0.01 -0.52 0.14 -0.62 -3.72 0.00 0.00 177.10 172.38 3h2e s ASP 121 N 1.88 5.43 0.09 -4.21 3.68 -0.59 -1.70 116.67 121.25 3h2e s ASP 121 Ca 0.05 -1.14 0.17 0.00 2.13 0.00 0.00 52.55 53.77 3h2e s ASP 121 Cb -0.23 -1.91 0.73 0.00 -1.45 0.00 0.00 42.92 40.06 3h2e s ASP 121 CO -0.02 -0.35 1.54 2.30 0.13 0.00 0.00 175.17 178.76 3h2e n ILE 122 N 4.86 0.96 0.13 4.11 -5.35 -1.26 -1.70 119.36 121.11 3h2e n ILE 122 Ca -0.12 0.25 0.08 0.00 -0.27 0.00 0.00 62.75 62.69 3h2e n ILE 122 Cb 0.45 -1.07 0.15 0.00 -1.74 0.00 0.00 39.64 37.43 3h2e n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2e n TRP 123 N -1.75 0.37 -3.92 4.28 7.02 -1.26 -4.58 117.44 117.61 3h2e n TRP 123 Ca 0.03 -0.29 -0.28 0.00 -1.02 0.00 0.00 57.50 55.94 3h2e n TRP 123 Cb 0.18 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 29.07 3h2e n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2e n GLY 124 N 0.90 -0.37 2.64 6.99 0.00 -0.69 -1.24 105.19 113.42 3h2e n GLY 124 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3h2e n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e n ALA 125 N -4.47 0.00 -0.02 4.61 0.00 -1.26 -4.58 120.51 114.79 3h2e n ALA 125 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 3h2e n ALA 125 Cb 0.60 -0.72 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 3h2e n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2e n LYS 126 N -1.14 0.65 0.00 0.00 5.02 -0.38 -2.83 118.16 119.49 3h2e n LYS 126 Ca 0.00 0.30 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 3h2e n LYS 126 Cb 0.21 -1.78 -0.10 0.00 -0.02 0.00 0.00 35.03 33.35 3h2e n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2e h ALA 127 N 0.85 -0.04 -2.75 7.82 0.00 -1.89 -3.40 119.26 119.85 3h2e h ALA 127 Ca -0.31 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 3h2e h ALA 127 Cb 2.02 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.43 3h2e h ALA 127 CO 0.08 -0.29 -0.80 -1.21 0.00 0.00 0.00 179.25 177.03 3h2e s GLU 128 N -4.38 1.19 0.63 0.00 2.02 -1.26 -5.00 118.70 111.90 3h2e s GLU 128 Ca -0.15 -2.07 0.27 0.00 0.02 0.00 0.00 54.97 53.04 3h2e s GLU 128 Cb 0.02 -2.02 1.42 0.00 0.10 0.00 0.00 34.13 33.65 3h2e s GLU 128 CO 0.66 -1.25 1.82 -1.35 0.02 0.00 0.00 175.26 175.16 3h2e h PRO 129 N 6.32 0.00 0.00 0.39 0.11 -1.76 0.99 132.00 138.05 3h2e h PRO 129 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3h2e h PRO 129 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3h2e h PRO 129 CO 0.44 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 179.80 3h2e h LYS 130 N 0.00 0.00 -0.67 1.05 -0.00 -1.95 -1.66 116.57 113.35 3h2e h LYS 130 Ca 0.12 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.91 3h2e h LYS 130 Cb 1.08 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.27 3h2e h LYS 130 CO -0.00 0.00 0.45 0.97 -0.00 0.00 0.00 179.45 180.87 3h2e h ILE 131 N 0.00 0.79 -0.11 0.07 2.10 -1.13 -0.40 117.51 118.82 3h2e h ILE 131 Ca 0.00 -0.10 -0.14 0.00 1.08 0.00 0.00 64.86 65.70 3h2e h ILE 131 Cb 0.31 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 36.51 3h2e h ILE 131 CO 0.00 0.05 -0.53 0.00 -1.08 0.00 0.00 178.15 176.60 3h2e h ALA 132 N 1.68 0.90 -0.27 0.18 0.00 -1.50 0.09 119.26 120.33 3h2e h ALA 132 Ca 0.32 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3h2e h ALA 132 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3h2e h ALA 132 CO -0.08 0.68 -0.47 0.93 0.00 0.00 0.00 179.25 180.31 3h2e h GLU 133 N 0.24 0.73 -0.23 0.00 5.08 -1.22 -0.48 114.58 118.70 3h2e h GLU 133 Ca 0.01 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3h2e h GLU 133 Cb 1.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3h2e h GLU 133 CO 0.09 1.04 0.14 0.28 -1.00 0.00 0.00 179.01 179.55 3h2e h VAL 134 N 0.58 1.10 -0.15 3.13 2.07 -0.94 -1.27 116.25 120.77 3h2e h VAL 134 Ca 0.03 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3h2e h VAL 134 Cb 1.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3h2e h VAL 134 CO 0.10 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.87 3h2e h ALA 135 N 1.03 0.20 -0.24 1.67 0.00 -0.84 -2.03 119.26 119.05 3h2e h ALA 135 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h2e h ALA 135 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3h2e h ALA 135 CO -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 179.25 178.88 3h2e h ALA 136 N 1.00 0.14 -0.58 0.00 0.00 -1.07 -0.24 119.26 118.51 3h2e h ALA 136 Ca 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h2e h ALA 136 Cb 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h2e h ALA 136 CO -0.01 -0.48 0.32 1.25 0.00 0.00 0.00 179.25 180.33 3h2e h HIS 137 N -0.02 0.80 -0.00 0.00 6.17 -1.03 -2.27 115.15 118.80 3h2e h HIS 137 Ca 0.12 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3h2e h HIS 137 Cb 0.19 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 29.87 3h2e h HIS 137 CO -0.25 0.58 -0.07 0.66 0.71 0.00 0.00 177.93 179.56 3h2e n TYR 138 N -4.59 0.00 -3.71 5.26 4.01 -0.78 -4.95 117.16 112.40 3h2e n TYR 138 Ca 0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 3h2e n TYR 138 Cb 0.09 -0.35 0.06 0.00 -0.31 0.00 0.00 39.34 38.83 3h2e n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2e n ASP 139 N -1.34 -5.69 -4.86 7.72 2.03 -0.14 -5.00 116.55 109.27 3h2e n ASP 139 Ca 0.10 -0.63 -0.31 0.00 0.52 0.00 0.00 54.79 54.47 3h2e n ASP 139 Cb 0.30 -4.62 -0.05 0.00 -0.72 0.00 0.00 41.12 36.03 3h2e n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h2e s VAL 140 N -3.32 5.05 0.42 5.18 -7.23 -0.99 -4.97 120.40 114.54 3h2e s VAL 140 Ca 0.60 -0.51 -0.26 0.00 -1.81 0.00 0.00 61.98 60.00 3h2e s VAL 140 Cb -0.28 -3.44 -0.09 0.00 0.56 0.00 0.00 36.38 33.13 3h2e s VAL 140 CO 0.77 0.16 1.42 -2.84 -0.31 0.00 0.00 175.10 174.30 3h2e s PRO 141 N -2.38 3.87 -0.07 4.82 0.02 -1.26 -4.80 135.00 135.21 3h2e s PRO 141 Ca 0.32 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.79 3h2e s PRO 141 Cb -0.13 -2.78 0.01 0.00 0.02 0.00 0.00 34.50 31.62 3h2e s PRO 141 CO 0.24 -0.66 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.59 3h2e s ILE 142 N -1.18 1.39 -0.26 2.83 2.07 0.88 -1.80 121.20 125.12 3h2e s ILE 142 Ca 0.58 -0.65 -0.14 0.00 -1.41 0.00 0.00 60.65 59.02 3h2e s ILE 142 Cb -0.44 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.89 3h2e s ILE 142 CO 0.57 0.41 0.35 -0.63 -1.91 0.00 0.00 174.94 173.73 3h2e s ILE 143 N 0.42 5.20 -0.37 2.00 1.01 0.66 -1.82 121.20 128.29 3h2e s ILE 143 Ca -0.12 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 3h2e s ILE 143 Cb -0.15 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3h2e s ILE 143 CO 0.04 0.19 0.22 -0.76 0.00 0.00 0.00 174.94 174.64 3h2e s LEU 144 N 1.89 4.71 0.09 2.97 1.43 0.82 -1.55 118.68 129.04 3h2e s LEU 144 Ca 0.14 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 3h2e s LEU 144 Cb -0.16 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 3h2e s LEU 144 CO 0.09 -0.36 0.45 -0.32 0.23 0.00 0.00 176.35 176.45 3h2e s MET 145 N 1.61 3.87 0.16 1.70 1.75 -1.00 -1.86 119.30 125.53 3h2e s MET 145 Ca 0.03 0.33 -0.31 0.00 -1.25 0.00 0.00 55.69 54.50 3h2e s MET 145 Cb -0.19 -3.02 -0.08 0.00 2.84 0.00 0.00 34.83 34.38 3h2e s MET 145 CO 0.08 0.56 1.35 -1.58 -0.65 0.00 0.00 175.02 174.78 3h2e s HIS 146 N -1.35 3.24 0.18 4.11 2.46 0.22 -3.65 115.29 120.49 3h2e s HIS 146 Ca 0.33 1.09 -0.21 0.00 0.47 0.00 0.00 55.06 56.74 3h2e s HIS 146 Cb -0.15 -3.65 0.05 0.00 -0.13 0.00 0.00 32.58 28.70 3h2e s HIS 146 CO 0.18 -2.16 0.57 1.21 -2.47 0.00 0.00 174.74 172.07 3h2e s ASN 147 N 0.70 -0.43 0.15 9.88 3.84 -1.26 -4.18 114.94 123.63 3h2e s ASN 147 Ca 0.60 -0.21 -0.25 0.00 0.21 0.00 0.00 52.86 53.22 3h2e s ASN 147 Cb -0.37 0.59 0.06 0.00 -0.55 0.00 0.00 41.25 40.99 3h2e s ASN 147 CO 0.35 -1.02 0.97 0.00 -2.79 0.00 0.00 177.10 174.61 3h2e s ARG 148 N -3.80 1.17 -0.05 0.43 1.70 -1.26 -5.03 118.95 112.12 3h2e s ARG 148 Ca 0.04 -0.65 0.12 0.00 -0.47 0.00 0.00 55.73 54.77 3h2e s ARG 148 Cb -0.01 0.40 0.44 0.00 -0.57 0.00 0.00 34.95 35.20 3h2e s ARG 148 CO -0.09 -0.54 1.32 -0.40 -1.08 0.00 0.00 175.30 174.51 3h2e n ASP 149 N -0.48 2.93 -3.57 -2.89 5.68 -1.26 -4.69 116.55 112.26 3h2e n ASP 149 Ca -0.06 -2.19 -0.09 0.00 -0.50 0.00 0.00 54.79 51.96 3h2e n ASP 149 Cb 0.61 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 3h2e n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h2e s ASN 150 N -0.83 -0.01 -0.21 -1.12 2.20 -1.26 -5.06 114.94 108.65 3h2e s ASN 150 Ca 0.32 -0.94 0.11 0.00 -0.94 0.00 0.00 52.86 51.41 3h2e s ASN 150 Cb 0.19 0.72 0.42 0.00 -2.00 0.00 0.00 41.25 40.58 3h2e s ASN 150 CO 0.17 -1.38 1.22 0.23 -2.94 0.00 0.00 177.10 174.40 3h2e n MET 151 N -0.47 1.63 -3.46 3.55 2.81 -1.26 -4.77 117.12 115.15 3h2e n MET 151 Ca -0.04 -3.32 -0.43 0.00 -1.81 0.00 0.00 57.70 52.10 3h2e n MET 151 Cb 0.60 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.41 3h2e n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h2e s ASN 152 N -3.23 5.96 -0.10 7.83 -0.87 -1.26 -4.92 114.94 118.34 3h2e s ASN 152 Ca 0.38 -1.46 0.02 0.00 -1.57 0.00 0.00 52.86 50.24 3h2e s ASN 152 Cb 0.37 -2.11 -0.01 0.00 -0.02 0.00 0.00 41.25 39.48 3h2e s ASN 152 CO -0.07 -0.63 -0.17 -0.31 -2.57 0.00 0.00 177.10 173.35 3h2e s TYR 153 N 1.55 2.70 0.06 2.20 1.51 -1.26 -5.01 117.35 119.10 3h2e s TYR 153 Ca 0.04 -0.62 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 3h2e s TYR 153 Cb -0.24 -1.75 -0.13 0.00 -0.11 0.00 0.00 41.96 39.73 3h2e s TYR 153 CO 0.04 -0.16 1.36 -0.09 -1.11 0.00 0.00 175.55 175.59 3h2e h ARG 154 N 6.35 0.49 -1.62 -0.62 2.43 -2.01 -3.43 114.38 115.97 3h2e h ARG 154 Ca -0.30 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.52 3h2e h ARG 154 Cb 1.20 0.01 -0.27 0.00 -0.42 0.00 0.00 29.97 30.49 3h2e h ARG 154 CO 0.52 0.85 -0.43 1.21 -1.51 0.00 0.00 179.97 180.61 3h2e s ASN 155 N -6.32 -0.21 0.13 -3.80 3.04 -1.26 -5.08 114.94 101.45 3h2e s ASN 155 Ca -0.13 0.31 -0.27 0.00 0.04 0.00 0.00 52.86 52.81 3h2e s ASN 155 Cb 0.06 1.41 -0.04 0.00 -1.54 0.00 0.00 41.25 41.14 3h2e s ASN 155 CO 0.79 -0.30 1.61 0.25 -3.04 0.00 0.00 177.10 176.41 3h2e h LEU 156 N 8.13 -1.02 -0.16 3.21 5.85 -1.99 0.25 115.31 129.58 3h2e h LEU 156 Ca -0.18 0.14 -0.18 0.00 0.84 0.00 0.00 57.88 58.50 3h2e h LEU 156 Cb 1.15 0.42 0.01 0.00 0.37 0.00 0.00 40.66 42.61 3h2e h LEU 156 CO 0.26 -0.38 -0.61 0.24 -0.34 0.00 0.00 178.44 177.62 3h2e h MET 157 N -0.44 0.69 -0.51 1.25 2.86 -1.97 0.61 114.93 117.41 3h2e h MET 157 Ca 0.08 -0.53 0.06 0.00 -2.06 0.00 0.00 59.70 57.24 3h2e h MET 157 Cb 0.56 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 3h2e h MET 157 CO -0.32 1.15 0.23 0.00 1.06 0.00 0.00 176.91 179.03 3h2e h ALA 158 N 0.54 0.65 -0.55 6.32 0.00 -1.97 -1.13 119.26 123.13 3h2e h ALA 158 Ca -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h2e h ALA 158 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3h2e h ALA 158 CO 0.13 -0.14 0.14 -0.44 0.00 0.00 0.00 179.25 178.94 3h2e h ASP 159 N 0.45 0.83 -0.42 0.00 3.32 -0.19 -1.43 116.42 118.98 3h2e h ASP 159 Ca 0.23 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3h2e h ASP 159 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3h2e h ASP 159 CO -0.19 0.84 0.25 0.24 -1.72 0.00 0.00 179.24 178.66 3h2e h MET 160 N 0.78 0.48 -0.24 3.56 2.86 -0.72 -0.85 114.93 120.80 3h2e h MET 160 Ca 0.17 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3h2e h MET 160 Cb 0.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3h2e h MET 160 CO 0.00 0.32 0.16 0.82 1.06 0.00 0.00 176.91 179.27 3h2e h ILE 161 N 0.50 1.06 -0.36 -1.22 2.04 -1.04 -0.26 117.51 118.22 3h2e h ILE 161 Ca 0.17 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.98 3h2e h ILE 161 Cb 0.02 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3h2e h ILE 161 CO -0.08 0.06 0.03 0.00 0.00 0.00 0.00 178.15 178.15 3h2e h ALA 162 N 1.09 0.35 -0.72 1.87 0.00 -1.11 -0.20 119.26 120.54 3h2e h ALA 162 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h2e h ALA 162 Cb -0.04 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h2e h ALA 162 CO -0.02 -0.38 0.46 -0.44 0.00 0.00 0.00 179.25 178.87 3h2e h ASP 163 N 0.13 0.85 -0.53 0.00 3.32 -0.80 -1.91 116.42 117.46 3h2e h ASP 163 Ca 0.18 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3h2e h ASP 163 Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3h2e h ASP 163 CO -0.27 0.63 0.03 -0.07 -1.72 0.00 0.00 179.24 177.84 3h2e h LEU 164 N 0.98 0.93 -1.08 1.55 3.38 -0.73 -2.56 115.31 117.78 3h2e h LEU 164 Ca 0.26 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h2e h LEU 164 Cb -0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3h2e h LEU 164 CO -0.05 0.98 0.62 1.88 0.09 0.00 0.00 178.44 181.95 3h2e h TYR 165 N 0.90 1.17 -0.86 1.13 0.99 -0.75 -0.58 116.97 118.96 3h2e h TYR 165 Ca 0.17 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.96 3h2e h TYR 165 Cb 0.49 -0.39 -0.05 0.00 1.00 0.00 0.00 36.73 37.78 3h2e h TYR 165 CO 0.03 0.70 0.56 -0.44 -0.00 0.00 0.00 178.16 179.02 3h2e h ASP 166 N 1.23 0.92 0.02 3.88 3.32 -1.09 -0.90 116.42 123.79 3h2e h ASP 166 Ca 0.36 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h2e h ASP 166 Cb -0.06 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3h2e h ASP 166 CO -0.10 0.63 -0.01 0.28 -1.72 0.00 0.00 179.24 178.33 3h2e h SER 167 N 1.07 -0.02 -0.82 6.45 0.02 -1.02 -2.58 113.55 116.66 3h2e h SER 167 Ca 0.34 -0.33 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 3h2e h SER 167 Cb 0.03 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 3h2e h SER 167 CO -0.10 0.32 0.46 0.40 -1.14 0.00 0.00 176.83 176.77 3h2e h ILE 168 N -0.36 0.89 -0.54 3.27 2.04 -0.96 -0.91 117.51 120.94 3h2e h ILE 168 Ca -0.00 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3h2e h ILE 168 Cb 0.35 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3h2e h ILE 168 CO 0.00 0.14 -0.00 0.50 0.00 0.00 0.00 178.15 178.79 3h2e h LYS 169 N 0.76 0.93 -0.48 2.37 1.63 -1.16 0.58 116.57 121.20 3h2e h LYS 169 Ca 0.40 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3h2e h LYS 169 Cb 0.39 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3h2e h LYS 169 CO -0.26 0.92 0.24 0.82 -3.45 0.00 0.00 179.45 177.72 3h2e h ILE 170 N 0.86 1.18 0.10 2.00 2.04 -0.98 -1.63 117.51 121.09 3h2e h ILE 170 Ca 0.16 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3h2e h ILE 170 Cb 0.51 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3h2e h ILE 170 CO 0.03 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.33 3h2e h ALA 171 N 1.08 -0.14 -0.70 1.87 0.00 -0.75 -2.61 119.26 118.01 3h2e h ALA 171 Ca 0.17 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3h2e h ALA 171 Cb 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3h2e h ALA 171 CO -0.02 -0.52 0.17 0.87 0.00 0.00 0.00 179.25 179.76 3h2e h LYS 172 N -0.26 1.12 -0.43 0.00 1.57 -0.90 -1.73 116.57 115.94 3h2e h LYS 172 Ca -0.01 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3h2e h LYS 172 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3h2e h LYS 172 CO 0.02 0.98 0.28 -0.44 -0.57 0.00 0.00 179.45 179.73 3h2e h ASP 173 N 1.06 0.48 0.55 0.86 3.45 -1.31 0.07 116.42 121.59 3h2e h ASP 173 Ca 0.22 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3h2e h ASP 173 Cb 0.36 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3h2e h ASP 173 CO 0.00 0.35 0.00 0.00 -1.57 0.00 0.00 179.24 178.02 3h2e n ALA 174 N -2.47 2.45 -0.01 3.45 0.00 -0.90 -4.92 120.51 118.09 3h2e n ALA 174 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3h2e n ALA 174 Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3h2e n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2e n GLY 175 N 1.20 0.99 3.70 0.00 0.00 0.01 -4.72 105.19 106.37 3h2e n GLY 175 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h2e n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2e s VAL 176 N -2.00 3.47 0.50 1.61 1.01 -0.70 -4.82 120.40 119.47 3h2e s VAL 176 Ca 0.00 0.95 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 3h2e s VAL 176 Cb 0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 3h2e s VAL 176 CO 0.00 0.02 1.01 -0.13 0.00 0.00 0.00 175.10 176.00 3h2e s ARG 177 N 1.99 3.85 0.33 2.72 0.52 -1.26 -4.27 118.95 122.82 3h2e s ARG 177 Ca 0.66 1.17 0.04 0.00 -0.52 0.00 0.00 55.73 57.09 3h2e s ARG 177 Cb -0.35 -2.11 0.67 0.00 0.52 0.00 0.00 34.95 33.68 3h2e s ARG 177 CO 0.29 -0.37 1.89 -0.44 0.02 0.00 0.00 175.30 176.69 3h2e h ASP 178 N 1.27 0.78 0.40 0.23 3.32 -1.97 -0.57 116.42 119.89 3h2e h ASP 178 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3h2e h ASP 178 Cb 1.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3h2e h ASP 178 CO 0.60 0.46 0.00 -0.62 -1.72 0.00 0.00 179.24 177.95 3h2e n GLU 179 N -4.53 0.02 -0.36 3.56 1.02 -1.26 -2.16 120.64 116.93 3h2e n GLU 179 Ca 0.15 0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.71 3h2e n GLU 179 Cb 0.32 -1.54 0.26 0.00 -0.02 0.00 0.00 31.44 30.46 3h2e n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h2e n ASN 180 N -1.58 3.77 -4.56 1.62 5.03 -0.22 -4.84 115.26 114.48 3h2e n ASN 180 Ca 0.02 -2.20 -0.34 0.00 0.87 0.00 0.00 54.58 52.94 3h2e n ASN 180 Cb 0.13 -0.42 -0.11 0.00 -1.02 0.00 0.00 39.78 38.36 3h2e n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2e s ILE 181 N -1.36 4.25 0.02 2.41 1.01 -0.92 -0.08 121.20 126.52 3h2e s ILE 181 Ca 0.40 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3h2e s ILE 181 Cb 0.23 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3h2e s ILE 181 CO 0.23 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.88 3h2e s ILE 182 N 0.28 1.18 0.15 2.92 1.01 -0.76 -4.30 121.20 121.68 3h2e s ILE 182 Ca -0.01 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3h2e s ILE 182 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3h2e s ILE 182 CO 0.02 0.18 -0.03 -0.76 0.00 0.00 0.00 174.94 174.34 3h2e s LEU 183 N -0.76 3.23 -0.04 2.97 1.43 0.09 -0.12 118.68 125.48 3h2e s LEU 183 Ca 0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3h2e s LEU 183 Cb -0.07 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3h2e s LEU 183 CO 0.00 0.12 0.00 -0.62 0.23 0.00 0.00 176.35 176.09 3h2e s ASP 184 N -2.69 0.63 0.00 2.29 3.68 -0.78 0.16 116.67 119.97 3h2e s ASP 184 Ca 0.26 -0.03 0.10 0.00 2.13 0.00 0.00 52.55 55.00 3h2e s ASP 184 Cb -0.10 -0.26 0.52 0.00 -1.45 0.00 0.00 42.92 41.63 3h2e s ASP 184 CO 0.17 -0.11 1.22 -0.81 0.13 0.00 0.00 175.17 175.77 3h2e n PRO 185 N 4.30 0.14 -3.70 4.34 -0.04 -1.26 -0.61 135.00 138.18 3h2e n PRO 185 Ca -0.23 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 3h2e n PRO 185 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3h2e n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2e n GLY 186 N -0.41 -0.43 3.67 0.55 0.00 -1.26 -4.50 105.19 102.80 3h2e n GLY 186 Ca 0.05 0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 3h2e n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h2e n ILE 187 N -4.57 0.03 -0.58 -0.61 2.08 -1.26 -1.83 119.36 112.63 3h2e n ILE 187 Ca -0.11 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3h2e n ILE 187 Cb 0.60 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 3h2e n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h2e n GLY 188 N 3.50 0.76 3.13 7.39 0.00 -1.26 -4.82 105.19 113.89 3h2e n GLY 188 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3h2e n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2e s PHE 189 N -2.66 2.17 -1.46 1.61 0.40 -0.76 -4.79 117.98 112.48 3h2e s PHE 189 Ca 0.00 -0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 55.38 3h2e s PHE 189 Cb 0.00 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 42.04 3h2e s PHE 189 CO 0.00 -0.42 0.12 0.00 0.70 0.00 0.00 175.22 175.61 3h2e n ALA 190 N 3.82 -0.76 -2.95 5.36 0.00 -1.26 -4.85 120.51 119.87 3h2e n ALA 190 Ca -0.20 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 3h2e n ALA 190 Cb 0.52 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 3h2e n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2e s LYS 191 N -5.20 0.05 0.88 0.00 1.02 -1.26 -4.45 119.74 110.78 3h2e s LYS 191 Ca 0.07 0.07 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 3h2e s LYS 191 Cb -0.03 0.02 0.12 0.00 -0.52 0.00 0.00 37.83 37.41 3h2e s LYS 191 CO 0.09 -0.01 1.09 0.95 -0.92 0.00 0.00 175.35 176.55 3h2e s THR 192 N 0.07 2.72 0.25 2.17 -4.23 -1.26 -4.76 115.64 110.59 3h2e s THR 192 Ca -0.00 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 3h2e s THR 192 Cb -0.01 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 71.34 3h2e s THR 192 CO -0.00 -0.30 1.65 -0.65 -0.54 0.00 0.00 174.62 174.78 3h2e h PRO 193 N -1.48 0.16 -0.54 3.99 0.11 -1.99 -0.43 132.00 131.82 3h2e h PRO 193 Ca -0.49 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3h2e h PRO 193 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3h2e h PRO 193 CO 0.55 0.11 -0.09 0.93 -0.21 0.00 0.00 178.00 179.29 3h2e h GLU 194 N 0.17 1.02 -0.62 1.05 3.07 -1.99 -2.16 114.58 115.13 3h2e h GLU 194 Ca 0.42 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 3h2e h GLU 194 Cb 0.76 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 3h2e h GLU 194 CO -0.60 1.06 0.26 1.96 -1.40 0.00 0.00 179.01 180.28 3h2e h GLN 195 N 0.90 0.91 -0.84 2.33 4.20 -1.81 -0.48 115.11 120.31 3h2e h GLN 195 Ca 0.14 -0.16 0.09 0.00 0.06 0.00 0.00 58.65 58.79 3h2e h GLN 195 Cb 0.65 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 3h2e h GLN 195 CO 0.05 0.76 0.49 -0.91 -0.67 0.00 0.00 178.83 178.55 3h2e h ASN 196 N 0.85 0.71 -0.34 1.46 2.35 -0.81 0.94 115.58 120.75 3h2e h ASN 196 Ca 0.21 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 3h2e h ASN 196 Cb 0.18 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3h2e h ASN 196 CO -0.02 0.41 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.86 3h2e h LEU 197 N 0.83 0.86 -0.45 1.61 3.38 -0.91 -2.15 115.31 118.49 3h2e h LEU 197 Ca 0.40 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3h2e h LEU 197 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h2e h LEU 197 CO -0.24 1.06 0.06 -0.08 0.09 0.00 0.00 178.44 179.32 3h2e h GLU 198 N 0.72 0.75 -0.24 1.13 4.81 -0.46 -1.40 114.58 119.89 3h2e h GLU 198 Ca 0.09 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3h2e h GLU 198 Cb 0.77 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3h2e h GLU 198 CO 0.06 0.78 0.15 0.00 -0.73 0.00 0.00 179.01 179.27 3h2e h ALA 199 N 0.94 0.30 -0.32 2.92 0.00 -0.77 -2.15 119.26 120.19 3h2e h ALA 199 Ca 0.13 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3h2e h ALA 199 Cb 0.40 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3h2e h ALA 199 CO 0.01 -0.24 -0.12 0.52 0.00 0.00 0.00 179.25 179.42 3h2e h MET 200 N 0.30 -0.05 -0.07 0.00 2.86 -1.31 -1.50 114.93 115.17 3h2e h MET 200 Ca 0.09 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3h2e h MET 200 Cb -0.01 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3h2e h MET 200 CO -0.04 -0.04 0.10 -0.09 1.06 0.00 0.00 176.91 177.90 3h2e h ARG 201 N -0.05 0.00 0.00 1.72 2.43 -0.94 -3.11 114.38 114.42 3h2e h ARG 201 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3h2e h ARG 201 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3h2e h ARG 201 CO -0.36 0.00 -0.03 0.09 -1.51 0.00 0.00 179.97 178.17 3h2e n ASN 202 N -3.64 2.07 0.08 -3.80 3.02 -0.82 -4.82 115.26 107.35 3h2e n ASN 202 Ca -0.01 -2.69 0.12 0.00 -0.03 0.00 0.00 54.58 51.97 3h2e n ASN 202 Cb 0.19 -0.29 0.60 0.00 -0.61 0.00 0.00 39.78 39.67 3h2e n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2e h LEU 203 N 0.00 0.14 -2.65 3.41 3.38 -1.23 -1.69 115.31 116.67 3h2e h LEU 203 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2e h LEU 203 Cb 0.89 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3h2e h LEU 203 CO 0.00 0.09 -0.01 1.05 0.09 0.00 0.00 178.44 179.66 3h2e h GLU 204 N 0.16 0.00 0.00 1.13 9.09 -1.87 -1.41 114.58 121.67 3h2e h GLU 204 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.55 3h2e h GLU 204 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3h2e h GLU 204 CO -0.02 0.01 -0.04 1.96 0.05 0.00 0.00 179.01 180.97 3h2e h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.65 -2.25 115.11 116.47 3h2e h GLN 205 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h2e h GLN 205 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3h2e h GLN 205 CO 0.00 0.04 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.07 3h2e h LEU 206 N 0.00 0.00 -1.85 1.46 3.38 -1.45 -2.67 115.31 114.18 3h2e h LEU 206 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h2e h LEU 206 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h2e h LEU 206 CO 0.01 0.06 -0.13 0.78 0.09 0.00 0.00 178.44 179.24 3h2e h ASN 207 N 0.00 0.00 0.15 -0.43 2.35 -1.57 -2.97 115.58 113.11 3h2e h ASN 207 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h2e h ASN 207 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h2e h ASN 207 CO 0.01 0.13 -0.03 -0.37 -1.65 0.00 0.00 177.43 175.52 3h2e h VAL 208 N 0.00 0.34 0.00 2.81 -1.51 -1.65 -1.97 116.25 114.26 3h2e h VAL 208 Ca -0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3h2e h VAL 208 Cb 0.35 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 3h2e h VAL 208 CO 0.02 0.03 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.30 3h2e h LEU 209 N 0.00 0.00 0.00 4.19 4.07 -1.75 -3.47 115.31 118.36 3h2e h LEU 209 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h2e h LEU 209 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3h2e h LEU 209 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 3h2e n GLY 210 N -0.01 0.43 3.44 0.83 0.00 -0.74 -5.06 105.19 104.07 3h2e n GLY 210 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3h2e n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2e s TYR 211 N -2.00 2.31 0.56 1.61 1.51 -1.26 -5.11 117.35 114.96 3h2e s TYR 211 Ca 0.00 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.50 3h2e s TYR 211 Cb 0.00 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3h2e s TYR 211 CO 0.00 0.55 1.31 -2.14 -1.11 0.00 0.00 175.55 174.16 3h2e s PRO 212 N -2.87 3.10 -0.11 -1.71 0.02 -1.26 -4.81 135.00 127.36 3h2e s PRO 212 Ca 0.23 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3h2e s PRO 212 Cb -0.07 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 3h2e s PRO 212 CO 0.11 -1.18 -0.17 0.08 -0.33 0.00 0.00 177.00 175.51 3h2e s VAL 213 N -1.38 2.67 -0.17 3.83 1.01 -1.26 -0.73 120.40 124.36 3h2e s VAL 213 Ca 0.73 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3h2e s VAL 213 Cb -0.37 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3h2e s VAL 213 CO 0.43 0.55 0.10 -0.22 0.00 0.00 0.00 175.10 175.95 3h2e s LEU 214 N 0.19 4.06 -0.15 3.92 0.20 0.12 -0.73 118.68 126.29 3h2e s LEU 214 Ca -0.10 0.21 -0.05 0.00 0.69 0.00 0.00 54.13 54.87 3h2e s LEU 214 Cb -0.16 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 3h2e s LEU 214 CO 0.06 0.23 0.03 -0.22 -0.29 0.00 0.00 176.35 176.15 3h2e s LEU 215 N 0.07 3.66 -0.35 -0.68 2.96 -0.09 -4.06 118.68 120.19 3h2e s LEU 215 Ca 0.08 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3h2e s LEU 215 Cb -0.12 -1.90 0.12 0.00 0.50 0.00 0.00 46.19 44.79 3h2e s LEU 215 CO -0.00 0.22 0.17 -0.83 -1.32 0.00 0.00 176.35 174.59 3h2e s GLY 216 N 0.06 1.13 0.00 7.98 0.00 -1.26 -0.44 107.32 114.79 3h2e s GLY 216 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.85 3h2e s GLY 216 CO 0.01 1.75 0.53 -1.30 0.00 0.00 0.00 173.10 174.09 3h2e n THR 217 N 4.35 0.15 -1.73 0.90 -2.24 -1.26 -4.51 114.28 109.94 3h2e n THR 217 Ca 0.03 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 3h2e n THR 217 Cb 0.39 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3h2e n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h2e s SER 218 N -0.15 6.49 -1.61 3.42 0.15 -1.26 -2.13 113.70 118.61 3h2e s SER 218 Ca 0.00 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.24 3h2e s SER 218 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3h2e s SER 218 CO 0.00 -1.03 0.00 0.54 1.20 0.00 0.00 173.24 173.95 3h2e n ARG 219 N 7.46 -1.31 -1.60 5.44 1.74 -1.26 -4.94 116.66 122.18 3h2e n ARG 219 Ca 0.19 1.02 -0.31 0.00 -0.77 0.00 0.00 57.85 57.98 3h2e n ARG 219 Cb 0.41 -5.28 0.05 0.00 -1.02 0.00 0.00 32.46 26.62 3h2e n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2e s LYS 220 N -3.24 2.86 0.43 5.56 1.02 -0.91 -4.90 119.74 120.56 3h2e s LYS 220 Ca 0.00 1.06 0.17 0.00 0.02 0.00 0.00 55.97 57.22 3h2e s LYS 220 Cb 0.00 -1.98 0.97 0.00 -0.52 0.00 0.00 37.83 36.30 3h2e s LYS 220 CO 0.00 -1.16 1.93 0.66 -0.92 0.00 0.00 175.35 175.85 3h2e h SER 221 N -0.56 0.00 0.14 2.83 4.64 -1.92 -2.01 113.55 116.67 3h2e h SER 221 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3h2e h SER 221 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h2e h SER 221 CO 0.56 0.26 -0.04 2.19 -0.87 0.00 0.00 176.83 178.92 3h2e h PHE 222 N 0.00 0.00 -0.14 4.77 -5.15 -1.95 0.11 116.94 114.58 3h2e h PHE 222 Ca -0.00 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.65 3h2e h PHE 222 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.67 3h2e h PHE 222 CO 0.00 0.04 -0.36 0.82 -2.00 0.00 0.00 178.31 176.81 3h2e h ILE 223 N 0.00 1.36 -0.55 0.88 2.04 -1.73 -2.60 117.51 116.91 3h2e h ILE 223 Ca -0.00 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 3h2e h ILE 223 Cb 0.12 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3h2e h ILE 223 CO 0.01 0.49 0.28 1.23 0.00 0.00 0.00 178.15 180.16 3h2e h GLY 224 N 0.11 0.82 1.02 5.37 0.00 -1.30 -1.11 103.07 107.98 3h2e h GLY 224 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3h2e h GLY 224 CO 0.08 0.35 0.25 0.84 0.00 0.00 0.00 176.54 178.06 3h2e h HIS 225 N 0.77 1.03 -0.09 5.60 -0.00 -0.96 0.45 115.15 121.95 3h2e h HIS 225 Ca 0.20 -0.08 -0.09 0.00 -0.00 0.00 0.00 60.37 60.39 3h2e h HIS 225 Cb 0.05 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 3h2e h HIS 225 CO 0.01 0.81 -0.31 0.28 -0.00 0.00 0.00 177.93 178.72 3h2e h VAL 226 N 0.95 1.40 0.00 5.26 2.07 -1.18 -3.33 116.25 121.42 3h2e h VAL 226 Ca 0.22 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3h2e h VAL 226 Cb 0.23 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3h2e h VAL 226 CO -0.02 0.48 -0.52 -0.07 0.02 0.00 0.00 177.57 177.46 3h2e h LEU 227 N -0.09 0.00 -2.36 2.57 3.38 -1.21 -3.48 115.31 114.11 3h2e h LEU 227 Ca -0.01 -0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.57 3h2e h LEU 227 Cb 0.93 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.83 3h2e h LEU 227 CO 0.06 0.02 -0.86 -0.67 0.09 0.00 0.00 178.44 177.09 3h2e n ASP 228 N -2.63 -4.51 -3.91 -0.43 2.03 0.15 -5.05 116.55 102.20 3h2e n ASP 228 Ca 0.02 -0.79 -0.13 0.00 0.52 0.00 0.00 54.79 54.42 3h2e n ASP 228 Cb 0.51 -4.56 -0.14 0.00 -0.72 0.00 0.00 41.12 36.21 3h2e n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2e s LEU 229 N -6.04 2.03 1.07 -2.67 1.43 -1.07 -5.06 118.68 108.37 3h2e s LEU 229 Ca 0.30 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 3h2e s LEU 229 Cb -0.06 -0.09 0.23 0.00 0.03 0.00 0.00 46.19 46.30 3h2e s LEU 229 CO 0.78 -0.01 1.07 -2.16 0.23 0.00 0.00 176.35 176.26 3h2e s PRO 230 N -0.20 -0.12 0.52 1.29 0.04 -1.26 -4.39 135.00 130.88 3h2e s PRO 230 Ca -0.01 0.59 0.20 0.00 0.04 0.00 0.00 61.00 61.82 3h2e s PRO 230 Cb -0.02 -1.67 1.31 0.00 0.04 0.00 0.00 34.50 34.17 3h2e s PRO 230 CO -0.00 -3.12 2.07 -0.24 0.04 0.00 0.00 177.00 175.75 3h2e h VAL 231 N -2.18 0.88 -0.01 -0.36 3.04 -1.99 -0.50 116.25 115.14 3h2e h VAL 231 Ca -0.57 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3h2e h VAL 231 Cb 1.34 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3h2e h VAL 231 CO 0.56 0.00 -0.02 -1.84 -1.01 0.00 0.00 177.57 175.26 3h2e n GLU 232 N -4.46 1.17 -0.73 4.17 0.00 -1.26 -3.69 120.64 115.83 3h2e n GLU 232 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 57.16 56.82 3h2e n GLU 232 Cb 0.33 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.48 3h2e n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2e n GLU 233 N -0.58 1.75 -0.14 3.44 -0.58 -0.20 -4.72 120.64 119.61 3h2e n GLU 233 Ca 0.20 -3.31 0.06 0.00 -0.42 0.00 0.00 57.16 53.69 3h2e n GLU 233 Cb 0.23 -1.71 0.13 0.00 -0.57 0.00 0.00 31.44 29.52 3h2e n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2e n ARG 234 N -1.11 2.26 -0.04 3.49 1.74 -1.24 -4.66 116.66 117.10 3h2e n ARG 234 Ca 0.25 -1.85 -0.08 0.00 -0.77 0.00 0.00 57.85 55.40 3h2e n ARG 234 Cb 0.81 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.96 3h2e n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2e h LEU 235 N 2.21 -0.53 -0.78 0.55 6.46 -1.87 -0.47 115.31 120.89 3h2e h LEU 235 Ca 0.00 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 3h2e h LEU 235 Cb 0.68 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.85 3h2e h LEU 235 CO 0.00 -0.21 0.18 -0.33 -0.62 0.00 0.00 178.44 177.46 3h2e h GLU 236 N -0.17 1.10 -0.38 1.25 3.07 -1.99 -0.70 114.58 116.76 3h2e h GLU 236 Ca 0.13 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3h2e h GLU 236 Cb 0.36 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3h2e h GLU 236 CO -0.32 0.96 0.15 0.78 -1.40 0.00 0.00 179.01 179.19 3h2e h GLY 237 N 1.08 0.61 0.77 -3.84 0.00 -1.81 -2.19 103.07 97.69 3h2e h GLY 237 Ca 0.22 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.25 3h2e h GLY 237 CO 0.00 0.31 0.15 -0.84 0.00 0.00 0.00 176.54 176.16 3h2e h THR 238 N 0.47 0.94 -0.83 4.70 2.02 -0.86 -2.58 112.91 116.78 3h2e h THR 238 Ca 0.13 -0.11 0.16 0.00 0.77 0.00 0.00 66.41 67.35 3h2e h THR 238 Cb 0.18 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 67.09 3h2e h THR 238 CO -0.01 0.06 0.39 1.23 0.37 0.00 0.00 175.52 177.56 3h2e h GLY 239 N 0.32 1.34 1.23 2.16 0.00 -0.92 -0.60 103.07 106.59 3h2e h GLY 239 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3h2e h GLY 239 CO -0.13 -0.08 0.06 0.00 0.00 0.00 0.00 176.54 176.38 3h2e h ALA 240 N 1.58 1.02 -0.40 3.60 0.00 -1.07 -1.20 119.26 122.79 3h2e h ALA 240 Ca 0.46 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3h2e h ALA 240 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3h2e h ALA 240 CO -0.40 0.62 -0.22 1.79 0.00 0.00 0.00 179.25 181.04 3h2e h THR 241 N 0.88 1.27 -0.11 0.00 1.35 -0.87 -1.96 112.91 113.48 3h2e h THR 241 Ca 0.17 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3h2e h THR 241 Cb 0.44 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3h2e h THR 241 CO 0.02 0.45 0.05 0.58 -0.25 0.00 0.00 175.52 176.37 3h2e h VAL 242 N 0.69 1.10 -0.68 6.82 2.07 -1.01 0.34 116.25 125.59 3h2e h VAL 242 Ca 0.09 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3h2e h VAL 242 Cb 0.74 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3h2e h VAL 242 CO 0.06 0.09 0.44 0.00 0.02 0.00 0.00 177.57 178.18 3h2e h LEU 244 N 0.90 0.91 -0.54 0.00 5.85 -1.31 -1.91 115.31 119.22 3h2e h LEU 244 Ca 0.25 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3h2e h LEU 244 Cb -0.09 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.61 3h2e h LEU 244 CO -0.06 1.24 0.17 1.23 -0.34 0.00 0.00 178.44 180.67 3h2e h GLY 245 N 0.80 0.71 0.91 3.75 0.00 -0.73 -0.52 103.07 107.99 3h2e h GLY 245 Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3h2e h GLY 245 CO 0.11 -0.03 -0.08 -2.22 0.00 0.00 0.00 176.54 174.32 3h2e h ILE 246 N 0.33 1.28 0.00 2.60 2.04 -1.23 -1.67 117.51 120.85 3h2e h ILE 246 Ca 0.27 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3h2e h ILE 246 Cb 0.34 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3h2e h ILE 246 CO -0.30 0.36 -0.14 -0.08 0.00 0.00 0.00 178.15 177.99 3h2e h GLU 247 N 0.39 0.00 -0.13 2.37 4.22 -1.15 -1.14 114.58 119.13 3h2e h GLU 247 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3h2e h GLU 247 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3h2e h GLU 247 CO 0.03 0.14 0.00 1.63 -2.18 0.00 0.00 179.01 178.63 3h2e n LYS 248 N -4.21 1.59 -0.03 1.92 5.02 -0.22 -4.95 118.16 117.28 3h2e n LYS 248 Ca -0.02 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 3h2e n LYS 248 Cb 0.22 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3h2e n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2e n GLY 249 N 1.06 0.98 3.77 0.72 0.00 -0.43 -4.20 105.19 107.10 3h2e n GLY 249 Ca 0.16 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3h2e n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e n GLU 251 N -0.47 0.64 -4.16 0.00 4.71 0.10 -4.70 120.64 116.74 3h2e n GLU 251 Ca 0.07 0.10 -0.16 0.00 -0.01 0.00 0.00 57.16 57.16 3h2e n GLU 251 Cb 0.48 -1.71 -0.13 0.00 -1.01 0.00 0.00 31.44 29.07 3h2e n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2e s PHE 252 N -3.03 0.67 -0.01 -0.32 0.40 -1.06 -1.33 117.98 113.30 3h2e s PHE 252 Ca -0.05 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 3h2e s PHE 252 Cb 0.09 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.19 3h2e s PHE 252 CO 0.83 -0.03 -0.21 0.14 0.70 0.00 0.00 175.22 176.65 3h2e s VAL 253 N -0.71 1.64 -0.31 -0.44 -7.23 -0.43 -0.91 120.40 112.00 3h2e s VAL 253 Ca -0.03 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.17 3h2e s VAL 253 Cb -0.06 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.53 3h2e s VAL 253 CO 0.00 0.45 0.12 -0.60 -0.31 0.00 0.00 175.10 174.76 3h2e s ARG 254 N -0.51 3.07 0.04 4.82 3.52 0.42 -0.66 118.95 129.65 3h2e s ARG 254 Ca 0.08 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3h2e s ARG 254 Cb -0.08 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3h2e s ARG 254 CO -0.01 -0.49 -0.05 0.14 -0.81 0.00 0.00 175.30 174.08 3h2e s VAL 255 N 1.52 0.31 -0.09 7.11 -7.23 -0.24 -4.11 120.40 117.67 3h2e s VAL 255 Ca 0.03 -1.13 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 3h2e s VAL 255 Cb -0.18 -0.61 -0.28 0.00 0.56 0.00 0.00 36.38 35.87 3h2e s VAL 255 CO 0.04 -0.54 0.62 0.45 -0.31 0.00 0.00 175.10 175.37 3h2e h HIS 256 N 4.33 0.47 -1.93 2.82 3.86 -1.88 -1.14 115.15 121.67 3h2e h HIS 256 Ca -0.34 -0.34 -0.75 0.00 -1.16 0.00 0.00 60.37 57.78 3h2e h HIS 256 Cb 1.20 -0.02 -0.17 0.00 1.06 0.00 0.00 27.41 29.47 3h2e h HIS 256 CO 0.64 1.51 1.57 -0.25 0.86 0.00 0.00 177.93 182.26 3h2e n ASP 257 N -3.96 5.22 -0.09 2.45 9.92 -1.26 -4.76 116.55 124.08 3h2e n ASP 257 Ca -0.23 -3.05 -0.10 0.00 -0.53 0.00 0.00 54.79 50.88 3h2e n ASP 257 Cb 0.89 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.82 3h2e n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2e h VAL 258 N 4.22 1.21 0.08 2.53 2.07 -1.93 -1.27 116.25 123.16 3h2e h VAL 258 Ca 0.34 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3h2e h VAL 258 Cb 0.77 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3h2e h VAL 258 CO 1.39 0.23 -0.19 0.50 0.02 0.00 0.00 177.57 179.52 3h2e h LYS 259 N 0.29 -0.33 -0.08 1.57 3.64 -1.89 0.23 116.57 119.99 3h2e h LYS 259 Ca 0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3h2e h LYS 259 Cb 0.28 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3h2e h LYS 259 CO 0.00 -0.22 -0.02 0.93 -2.27 0.00 0.00 179.45 177.86 3h2e h GLU 260 N -0.35 0.15 -0.23 1.90 3.07 -1.89 -2.82 114.58 114.42 3h2e h GLU 260 Ca 0.03 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3h2e h GLU 260 Cb 0.38 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3h2e h GLU 260 CO -0.12 0.49 -0.06 0.52 -1.40 0.00 0.00 179.01 178.44 3h2e h MET 261 N -0.19 0.36 -0.15 2.33 2.86 -1.17 -2.18 114.93 116.78 3h2e h MET 261 Ca 0.02 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3h2e h MET 261 Cb 0.44 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3h2e h MET 261 CO 0.01 0.44 -0.61 1.03 1.06 0.00 0.00 176.91 178.84 3h2e h SER 262 N 0.35 0.60 -0.56 1.22 0.87 -0.89 0.29 113.55 115.44 3h2e h SER 262 Ca 0.07 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 3h2e h SER 262 Cb 0.34 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3h2e h SER 262 CO 0.02 1.07 0.29 0.03 -0.53 0.00 0.00 176.83 177.70 3h2e h ARG 263 N 0.39 0.80 -0.36 2.24 3.08 -1.23 -1.97 114.38 117.33 3h2e h ARG 263 Ca -0.01 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3h2e h ARG 263 Cb 1.17 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3h2e h ARG 263 CO 0.11 0.64 0.09 0.52 -1.07 0.00 0.00 179.97 180.26 3h2e h MET 264 N 0.76 0.58 -0.85 0.04 2.86 -1.17 -2.35 114.93 114.79 3h2e h MET 264 Ca 0.20 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3h2e h MET 264 Cb 0.09 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3h2e h MET 264 CO -0.03 0.61 0.49 0.00 1.06 0.00 0.00 176.91 179.04 3h2e h ALA 265 N 0.94 1.08 -0.83 6.32 0.00 -0.91 -0.81 119.26 125.05 3h2e h ALA 265 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h2e h ALA 265 Cb 0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3h2e h ALA 265 CO 0.00 0.57 0.38 -0.22 0.00 0.00 0.00 179.25 179.98 3h2e h LYS 266 N 1.17 1.20 -0.17 0.00 3.64 -1.24 -0.22 116.57 120.96 3h2e h LYS 266 Ca 0.30 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3h2e h LYS 266 Cb -0.01 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3h2e h LYS 266 CO -0.05 0.94 0.03 1.98 -2.27 0.00 0.00 179.45 180.07 3h2e h MET 267 N 1.18 0.28 -0.05 1.90 4.05 -1.15 -2.23 114.93 118.93 3h2e h MET 267 Ca 0.28 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3h2e h MET 267 Cb 0.14 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3h2e h MET 267 CO -0.03 0.45 -0.11 0.52 0.23 0.00 0.00 176.91 177.96 3h2e h MET 268 N 0.07 -0.16 -0.74 0.39 2.86 -0.96 -1.44 114.93 114.96 3h2e h MET 268 Ca 0.05 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.86 3h2e h MET 268 Cb 0.30 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.89 3h2e h MET 268 CO 0.00 -0.11 0.19 -0.44 1.06 0.00 0.00 176.91 177.61 3h2e h ASP 269 N -0.17 0.03 -0.38 1.22 3.45 -1.02 0.23 116.42 119.78 3h2e h ASP 269 Ca 0.06 0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 3h2e h ASP 269 Cb 0.25 0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3h2e h ASP 269 CO -0.15 -0.03 -0.15 0.00 -1.57 0.00 0.00 179.24 177.35 3h2e h ALA 270 N 1.61 0.90 -0.18 3.45 0.00 -0.94 0.06 119.26 124.15 3h2e h ALA 270 Ca 0.42 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3h2e h ALA 270 Cb 0.71 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h2e h ALA 270 CO -0.50 0.63 -0.63 0.52 0.00 0.00 0.00 179.25 179.27 3h2e h MET 271 N 0.75 0.75 0.00 0.00 2.86 -0.28 -3.12 114.93 115.89 3h2e h MET 271 Ca 0.12 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3h2e h MET 271 Cb 0.66 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3h2e h MET 271 CO 0.05 1.18 0.00 -0.84 1.06 0.00 0.00 176.91 178.36 3h2e h ILE 272 N 0.47 0.00 -0.67 -1.22 3.07 -0.96 -3.47 117.51 114.73 3h2e h ILE 272 Ca -0.03 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.78 3h2e h ILE 272 Cb 1.25 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 3h2e h ILE 272 CO 0.13 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 3h2e n GLY 273 N 1.03 0.92 0.00 0.16 0.00 -0.50 -5.09 105.19 101.71 3h2e n GLY 273 Ca 0.04 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.62 3h2e n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49