#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2a s TRP 3 N 0.00 3.34 -2.43 5.64 0.52 -1.26 -4.99 118.94 119.76 3h2a s TRP 3 Ca 0.00 0.22 0.22 0.00 0.02 0.00 0.00 56.10 56.56 3h2a s TRP 3 Cb 0.00 -2.13 0.60 0.00 -1.15 0.00 0.00 33.47 30.79 3h2a s TRP 3 CO 0.00 0.23 1.48 -0.40 0.02 0.00 0.00 176.95 178.28 3h2a n ASP 4 N 3.53 2.43 -4.08 2.95 3.85 -1.26 -4.89 116.55 119.08 3h2a n ASP 4 Ca -0.16 -1.83 -0.09 0.00 -0.71 0.00 0.00 54.79 52.00 3h2a n ASP 4 Cb 0.52 -0.14 -0.09 0.00 -1.35 0.00 0.00 41.12 40.06 3h2a n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2a s TYR 5 N -1.72 0.66 0.03 2.11 -0.85 -1.26 -5.17 117.35 111.15 3h2a s TYR 5 Ca 0.35 -1.06 -0.01 0.00 -0.52 0.00 0.00 57.07 55.82 3h2a s TYR 5 Cb 0.20 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 3h2a s TYR 5 CO 0.29 -0.55 0.18 -0.51 -1.52 0.00 0.00 175.55 173.44 3h2a s ASP 6 N -3.00 6.23 -0.38 -0.18 1.01 -1.26 -4.56 116.67 114.53 3h2a s ASP 6 Ca 0.19 0.27 -0.29 0.00 0.71 0.00 0.00 52.55 53.43 3h2a s ASP 6 Cb 0.06 -1.91 0.01 0.00 1.01 0.00 0.00 42.92 42.10 3h2a s ASP 6 CO -0.01 0.22 1.31 -0.22 0.21 0.00 0.00 175.17 176.67 3h2a s LEU 7 N -2.20 3.71 -0.17 1.23 1.98 0.12 -4.90 118.68 118.44 3h2a s LEU 7 Ca 0.30 0.90 -0.17 0.00 -2.89 0.00 0.00 54.13 52.27 3h2a s LEU 7 Cb -0.13 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.14 3h2a s LEU 7 CO 0.23 -1.26 0.47 -0.13 -1.89 0.00 0.00 176.35 173.76 3h2a s ARG 8 N 4.53 4.24 -0.39 1.98 1.81 -1.26 0.21 118.95 130.06 3h2a s ARG 8 Ca 0.56 0.36 0.12 0.00 -1.72 0.00 0.00 55.73 55.05 3h2a s ARG 8 Cb -0.13 -3.51 0.40 0.00 -0.45 0.00 0.00 34.95 31.25 3h2a s ARG 8 CO 0.28 -0.01 0.89 0.00 -0.68 0.00 0.00 175.30 175.78 3h2a n GLY 10 N -0.01 1.09 0.15 0.00 0.00 -1.26 -2.16 105.19 103.01 3h2a n GLY 10 Ca 0.22 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.65 3h2a n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h2a h GLU 11 N 0.00 0.00 -6.20 1.61 4.11 -2.02 -3.44 114.58 108.64 3h2a h GLU 11 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.87 3h2a h GLU 11 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3h2a h GLU 11 CO 0.00 0.52 -0.56 0.71 0.07 0.00 0.00 179.01 179.75 3h2a s TYR 12 N -3.41 3.14 -0.04 2.06 1.51 -0.92 -5.12 117.35 114.57 3h2a s TYR 12 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 3h2a s TYR 12 Cb 0.11 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3h2a s TYR 12 CO 0.73 0.52 -0.01 0.99 -1.11 0.00 0.00 175.55 176.67 3h2a s THR 13 N -1.80 0.33 -0.33 -0.71 2.01 -1.26 -0.81 115.64 113.06 3h2a s THR 13 Ca 0.31 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 3h2a s THR 13 Cb -0.10 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.01 3h2a s THR 13 CO 0.23 0.20 0.13 -0.76 -0.69 0.00 0.00 174.62 173.74 3h2a s LEU 14 N 1.27 4.23 0.11 4.42 1.43 0.13 -4.95 118.68 125.32 3h2a s LEU 14 Ca -0.06 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 51.91 3h2a s LEU 14 Cb -0.13 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3h2a s LEU 14 CO -0.02 -0.27 1.26 0.21 0.23 0.00 0.00 176.35 177.76 3h2a s ASN 15 N 1.52 7.00 0.00 2.29 3.84 -1.26 0.12 114.94 128.45 3h2a s ASN 15 Ca 0.02 2.17 0.24 0.00 0.21 0.00 0.00 52.86 55.50 3h2a s ASN 15 Cb -0.18 -2.59 0.52 0.00 -0.55 0.00 0.00 41.25 38.45 3h2a s ASN 15 CO 0.04 -0.50 1.44 0.18 -2.79 0.00 0.00 177.10 175.47 3h2a n LEU 16 N 3.55 2.68 -0.03 3.21 4.77 -1.26 -4.33 117.00 125.59 3h2a n LEU 16 Ca 0.08 -1.05 -0.04 0.00 -0.03 0.00 0.00 56.01 54.98 3h2a n LEU 16 Cb 0.45 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3h2a n LEU 16 CO 0.57 0.53 -0.72 0.59 -1.33 0.00 0.00 177.39 177.02 3h2a n ASN 17 N 1.02 3.45 -0.05 -1.43 3.02 -1.26 -4.69 115.26 115.33 3h2a n ASN 17 Ca 0.17 -0.02 -0.08 0.00 -0.03 0.00 0.00 54.58 54.62 3h2a n ASN 17 Cb 0.51 0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 40.03 3h2a n ASN 17 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3h2a h GLU 18 N 0.00 0.13 -2.75 3.52 4.81 -1.83 -3.46 114.58 115.00 3h2a h GLU 18 Ca -0.17 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3h2a h GLU 18 Cb 1.34 -0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.56 3h2a h GLU 18 CO -0.00 0.08 0.31 -1.59 -0.73 0.00 0.00 179.01 177.08 3h2a s LYS 19 N -6.18 1.14 -0.01 1.92 -2.85 -1.26 -4.87 119.74 107.63 3h2a s LYS 19 Ca -0.13 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 3h2a s LYS 19 Cb 0.10 0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 36.32 3h2a s LYS 19 CO 0.69 -0.50 1.62 0.99 0.10 0.00 0.00 175.35 178.25 3h2a s THR 20 N -3.54 3.43 -0.04 3.79 2.01 -1.26 -4.87 115.64 115.16 3h2a s THR 20 Ca 0.03 0.69 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 3h2a s THR 20 Cb -0.01 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3h2a s THR 20 CO -0.11 -0.03 0.76 -0.76 -0.69 0.00 0.00 174.62 173.79 3h2a s LEU 21 N 3.34 4.35 -0.24 4.42 1.43 -0.20 -4.93 118.68 126.85 3h2a s LEU 21 Ca 0.72 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 3h2a s LEU 21 Cb -0.35 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3h2a s LEU 21 CO 0.30 -0.12 0.26 -0.63 0.23 0.00 0.00 176.35 176.38 3h2a s ILE 22 N 0.71 5.28 -0.33 -0.59 -1.09 -1.26 -1.69 121.20 122.23 3h2a s ILE 22 Ca 0.40 0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 59.08 3h2a s ILE 22 Cb -0.19 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3h2a s ILE 22 CO 0.21 0.27 0.19 -0.32 -1.23 0.00 0.00 174.94 174.06 3h2a s MET 23 N 1.43 3.32 -0.04 2.79 -2.45 0.10 0.50 119.30 124.96 3h2a s MET 23 Ca 0.11 -0.74 -0.27 0.00 -1.25 0.00 0.00 55.69 53.54 3h2a s MET 23 Cb -0.15 -3.66 -0.03 0.00 1.25 0.00 0.00 34.83 32.24 3h2a s MET 23 CO 0.07 -0.46 0.87 0.20 1.05 0.00 0.00 175.02 176.75 3h2a s GLY 24 N 1.64 2.72 -0.56 2.11 0.00 0.21 -0.31 107.32 113.13 3h2a s GLY 24 Ca 0.05 0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.87 3h2a s GLY 24 CO 0.08 1.51 0.96 -0.42 0.00 0.00 0.00 173.10 175.23 3h2a s ILE 25 N 1.06 4.35 -0.04 0.90 1.01 -0.57 -0.65 121.20 127.27 3h2a s ILE 25 Ca 0.46 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 3h2a s ILE 25 Cb -0.19 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.66 3h2a s ILE 25 CO 0.23 -1.15 1.49 -0.22 0.00 0.00 0.00 174.94 175.29 3h2a s LEU 26 N 4.04 4.30 0.11 2.97 2.96 -0.83 -4.83 118.68 127.40 3h2a s LEU 26 Ca 0.31 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 56.04 3h2a s LEU 26 Cb -0.12 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 3h2a s LEU 26 CO 0.19 -0.82 1.00 0.54 -1.32 0.00 0.00 176.35 175.94 3h2a s ASN 27 N 2.48 7.43 -0.14 3.68 2.20 -1.26 -4.65 114.94 124.68 3h2a s ASN 27 Ca 0.67 1.84 0.15 0.00 -0.94 0.00 0.00 52.86 54.57 3h2a s ASN 27 Cb -0.31 -2.59 0.33 0.00 -2.00 0.00 0.00 41.25 36.68 3h2a s ASN 27 CO 0.26 -0.13 1.17 0.52 -2.94 0.00 0.00 177.10 175.98 3h2a n VAL 28 N 2.88 1.66 -1.13 3.54 0.31 -1.26 -4.65 118.33 119.68 3h2a n VAL 28 Ca 0.03 -2.33 -0.51 0.00 -0.01 0.00 0.00 64.34 61.52 3h2a n VAL 28 Cb 0.49 -0.05 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 3h2a n VAL 28 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h2a n THR 29 N -0.98 0.00 -2.67 2.52 -1.04 -1.26 -4.88 114.28 105.97 3h2a n THR 29 Ca 0.15 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.85 3h2a n THR 29 Cb 0.72 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 3h2a n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h2a s PRO 30 N 4.42 3.80 0.30 -2.82 0.05 -1.26 -4.76 135.00 134.73 3h2a s PRO 30 Ca 0.97 0.60 -0.29 0.00 0.05 0.00 0.00 61.00 62.33 3h2a s PRO 30 Cb -1.24 -2.31 -0.10 0.00 0.05 0.00 0.00 34.50 30.90 3h2a s PRO 30 CO 0.58 -0.13 1.14 -0.51 0.05 0.00 0.00 177.00 178.12 3h2a s ASP 31 N -3.23 7.12 0.23 6.66 1.01 -1.26 -4.95 116.67 122.25 3h2a s ASP 31 Ca 0.53 2.33 0.05 0.00 0.71 0.00 0.00 52.55 56.17 3h2a s ASP 31 Cb -0.10 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.43 3h2a s ASP 31 CO 0.33 -0.25 1.54 0.28 0.21 0.00 0.00 175.17 177.28 3h2a h SER 32 N 3.61 0.25 -0.39 0.27 0.02 -2.04 -3.26 113.55 112.02 3h2a h SER 32 Ca -0.47 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.21 3h2a h SER 32 Cb 1.22 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3h2a h SER 32 CO 0.66 0.82 -0.18 -0.26 -1.14 0.00 0.00 176.83 176.73 3h2a h PHE 33 N 0.16 0.99 0.00 3.45 -1.00 -2.06 -3.56 116.94 114.92 3h2a h PHE 33 Ca -0.01 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.55 3h2a h PHE 33 Cb 1.15 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.47 3h2a h PHE 33 CO 0.02 0.98 0.00 -1.13 -1.61 0.00 0.00 178.31 176.57 3h2a n SER 34 N -4.12 0.00 -0.97 2.17 3.41 -1.23 -5.18 113.62 107.69 3h2a n SER 34 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3h2a n SER 34 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3h2a n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h2a n GLY 37 N 5.00 0.00 3.89 5.00 0.00 -1.25 -4.99 105.19 112.84 3h2a n GLY 37 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3h2a n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2a s SER 38 N 0.00 6.09 0.16 1.61 0.01 -1.26 -4.90 113.70 115.41 3h2a s SER 38 Ca 0.00 1.16 -0.12 0.00 1.31 0.00 0.00 55.95 58.30 3h2a s SER 38 Cb 0.00 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 64.02 3h2a s SER 38 CO 0.00 -0.85 1.68 0.22 0.41 0.00 0.00 173.24 174.70 3h2a h TYR 39 N -0.16 0.93 -0.63 2.43 3.20 -2.04 -2.10 116.97 118.58 3h2a h TYR 39 Ca -0.45 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.24 3h2a h TYR 39 Cb 1.21 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3h2a h TYR 39 CO 0.60 0.79 0.09 -0.91 -1.64 0.00 0.00 178.16 177.09 3h2a h ASN 40 N 0.79 1.02 0.09 -2.11 2.35 -1.98 -1.43 115.58 114.30 3h2a h ASN 40 Ca 0.18 -0.27 -0.19 0.00 -0.55 0.00 0.00 56.30 55.47 3h2a h ASN 40 Cb 0.32 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 38.44 3h2a h ASN 40 CO -0.00 1.03 -0.78 1.05 -1.65 0.00 0.00 177.43 177.07 3h2a h GLU 41 N 0.97 0.37 -0.40 0.81 4.11 -1.84 -2.31 114.58 116.28 3h2a h GLU 41 Ca 0.19 -0.52 -0.08 0.00 0.07 0.00 0.00 59.36 59.02 3h2a h GLU 41 Cb 0.45 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3h2a h GLU 41 CO 0.02 1.21 -0.07 0.28 0.07 0.00 0.00 179.01 180.51 3h2a h VAL 42 N -0.22 1.24 -0.36 -1.06 2.07 -1.47 -2.25 116.25 114.21 3h2a h VAL 42 Ca -0.12 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 66.19 3h2a h VAL 42 Cb 1.55 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3h2a h VAL 42 CO 0.15 0.36 -0.39 -0.78 0.02 0.00 0.00 177.57 176.93 3h2a h ASP 43 N 0.63 0.93 0.61 0.57 3.58 -1.33 -0.50 116.42 120.92 3h2a h ASP 43 Ca 0.12 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 3h2a h ASP 43 Cb 0.50 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3h2a h ASP 43 CO 0.03 1.21 -0.48 0.00 -2.88 0.00 0.00 179.24 177.11 3h2a h ALA 44 N 0.83 1.08 0.19 -0.78 0.00 -1.37 -1.14 119.26 118.08 3h2a h ALA 44 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3h2a h ALA 44 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h2a h ALA 44 CO 0.09 0.60 -0.09 0.00 0.00 0.00 0.00 179.25 179.86 3h2a h ALA 45 N 1.52 -0.25 -0.84 0.00 0.00 -1.25 -1.60 119.26 116.83 3h2a h ALA 45 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.81 3h2a h ALA 45 Cb 0.92 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3h2a h ALA 45 CO 0.06 -0.45 0.55 0.28 0.00 0.00 0.00 179.25 179.69 3h2a h VAL 46 N -0.63 0.96 -0.18 0.00 2.07 -1.00 0.14 116.25 117.61 3h2a h VAL 46 Ca -0.03 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 3h2a h VAL 46 Cb 0.46 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3h2a h VAL 46 CO 0.04 0.15 -0.68 -0.09 0.02 0.00 0.00 177.57 177.01 3h2a h ARG 47 N 0.81 0.78 -0.48 1.57 2.43 -1.19 -0.31 114.38 117.98 3h2a h ARG 47 Ca 0.39 -0.60 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 3h2a h ARG 47 Cb 0.43 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3h2a h ARG 47 CO -0.16 1.21 0.03 1.25 -1.51 0.00 0.00 179.97 180.79 3h2a h HIS 48 N 0.51 0.90 -0.62 2.20 2.76 -0.76 -1.31 115.15 118.82 3h2a h HIS 48 Ca -0.03 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 57.94 3h2a h HIS 48 Cb 1.31 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 3h2a h HIS 48 CO 0.09 0.84 0.16 0.00 -1.30 0.00 0.00 177.93 177.73 3h2a h ALA 49 N 0.94 1.12 -0.30 5.26 0.00 -0.81 -0.29 119.26 125.18 3h2a h ALA 49 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h2a h ALA 49 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h2a h ALA 49 CO 0.02 0.60 0.07 0.87 0.00 0.00 0.00 179.25 180.81 3h2a h LYS 50 N 0.92 0.48 -0.16 0.00 1.57 -0.94 0.13 116.57 118.59 3h2a h LYS 50 Ca 0.20 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3h2a h LYS 50 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3h2a h LYS 50 CO -0.00 0.56 0.08 1.49 -0.57 0.00 0.00 179.45 181.01 3h2a h GLU 51 N 0.33 0.17 -0.87 3.15 4.81 -0.88 -0.31 114.58 120.97 3h2a h GLU 51 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3h2a h GLU 51 Cb 0.29 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3h2a h GLU 51 CO 0.00 0.11 0.48 0.52 -0.73 0.00 0.00 179.01 179.40 3h2a h MET 52 N 0.18 1.21 -0.30 1.92 2.86 -0.90 -0.69 114.93 119.21 3h2a h MET 52 Ca 0.06 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3h2a h MET 52 Cb 0.00 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 3h2a h MET 52 CO -0.04 0.88 0.12 -0.09 1.06 0.00 0.00 176.91 178.84 3h2a h ARG 53 N 1.21 0.25 -0.42 1.72 1.12 -0.71 -1.33 114.38 116.22 3h2a h ARG 53 Ca 0.31 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.20 3h2a h ARG 53 Cb 0.02 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.90 3h2a h ARG 53 CO -0.05 0.17 0.28 -0.44 -3.11 0.00 0.00 179.97 176.82 3h2a h ASP 54 N 0.26 0.37 -0.71 -3.80 5.19 -0.23 -3.03 116.42 114.48 3h2a h ASP 54 Ca 0.13 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3h2a h ASP 54 Cb 0.08 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3h2a h ASP 54 CO -0.12 0.26 0.00 -1.84 -3.12 0.00 0.00 179.24 174.41 3h2a n GLU 55 N -4.48 2.94 0.00 3.56 0.28 -0.34 -4.94 120.64 117.66 3h2a n GLU 55 Ca 0.04 -2.66 0.00 0.00 -0.16 0.00 0.00 57.16 54.38 3h2a n GLU 55 Cb 0.17 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.39 3h2a n GLU 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h2a n GLY 56 N 1.52 1.60 3.78 -1.84 0.00 -0.97 -3.96 105.19 105.32 3h2a n GLY 56 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3h2a n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2a s ALA 57 N -2.00 3.04 -0.03 4.61 0.00 -0.54 -4.64 121.76 122.19 3h2a s ALA 57 Ca 0.00 0.76 0.13 0.00 0.00 0.00 0.00 51.96 52.85 3h2a s ALA 57 Cb 0.00 -3.30 -0.20 0.00 0.00 0.00 0.00 23.12 19.62 3h2a s ALA 57 CO 0.00 -0.34 0.26 0.72 0.00 0.00 0.00 175.76 176.40 3h2a n HIS 58 N -0.26 0.00 -3.89 0.00 8.25 0.18 -4.69 115.22 114.81 3h2a n HIS 58 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 3h2a n HIS 58 Cb 0.49 -0.35 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 3h2a n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2a s ILE 59 N -2.85 0.04 -0.25 1.59 1.01 -0.95 -4.06 121.20 115.72 3h2a s ILE 59 Ca -0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 3h2a s ILE 59 Cb 0.08 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 3h2a s ILE 59 CO 0.56 -0.17 0.11 -0.63 0.00 0.00 0.00 174.94 174.81 3h2a s ILE 60 N -0.50 4.70 -0.32 2.92 -1.09 -0.24 -0.62 121.20 126.07 3h2a s ILE 60 Ca -0.06 -0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.13 3h2a s ILE 60 Cb -0.04 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3h2a s ILE 60 CO -0.00 0.33 0.56 -0.62 -1.23 0.00 0.00 174.94 173.98 3h2a s ASP 61 N 1.46 6.40 -0.22 3.58 3.68 0.18 -1.46 116.67 130.29 3h2a s ASP 61 Ca 0.06 0.25 0.00 0.00 2.13 0.00 0.00 52.55 54.99 3h2a s ASP 61 Cb -0.15 -2.29 0.03 0.00 -1.45 0.00 0.00 42.92 39.06 3h2a s ASP 61 CO 0.05 -0.44 -0.12 -0.63 0.13 0.00 0.00 175.17 174.16 3h2a s ILE 62 N 2.47 2.43 0.17 4.11 1.01 -0.44 -1.96 121.20 128.98 3h2a s ILE 62 Ca 0.22 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3h2a s ILE 62 Cb -0.15 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3h2a s ILE 62 CO 0.12 0.29 0.21 -0.83 0.00 0.00 0.00 174.94 174.73 3h2a s GLY 63 N 1.27 1.67 0.00 6.18 0.00 -1.26 -1.22 107.32 113.96 3h2a s GLY 63 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3h2a s GLY 63 CO -0.08 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3h2a n GLY 64 N -0.53 0.95 0.69 0.20 0.00 -1.25 -4.86 105.19 100.39 3h2a n GLY 64 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3h2a n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h2a n SER 75 N 0.00 0.00 -0.23 1.61 2.88 -1.26 -5.06 113.62 111.56 3h2a n SER 75 Ca 0.00 0.38 -0.07 0.00 -1.33 0.00 0.00 58.87 57.85 3h2a n SER 75 Cb 0.00 -0.58 0.04 0.00 -0.75 0.00 0.00 64.21 62.92 3h2a n SER 75 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3h2a h VAL 76 N 2.73 1.23 -0.63 2.46 2.07 -2.06 0.25 116.25 122.31 3h2a h VAL 76 Ca 0.00 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 3h2a h VAL 76 Cb 0.00 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3h2a h VAL 76 CO 0.00 0.28 0.05 -0.33 0.02 0.00 0.00 177.57 177.59 3h2a h GLU 77 N 0.89 1.07 -0.15 1.57 3.07 -2.02 -2.67 114.58 116.33 3h2a h GLU 77 Ca 0.21 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 3h2a h GLU 77 Cb 0.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3h2a h GLU 77 CO -0.02 1.01 -0.49 0.93 -1.40 0.00 0.00 179.01 179.04 3h2a h GLU 78 N 0.99 0.40 -0.76 2.33 3.07 -1.90 -2.45 114.58 116.26 3h2a h GLU 78 Ca 0.18 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3h2a h GLU 78 Cb 0.50 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.39 3h2a h GLU 78 CO 0.02 0.80 0.49 1.49 -1.40 0.00 0.00 179.01 180.41 3h2a h GLU 79 N 0.32 1.00 -0.34 2.33 4.81 -0.30 -2.37 114.58 120.03 3h2a h GLU 79 Ca 0.02 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3h2a h GLU 79 Cb 0.98 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3h2a h GLU 79 CO 0.08 0.68 -0.05 0.82 -0.73 0.00 0.00 179.01 179.81 3h2a h ILE 80 N 1.03 1.27 -0.21 2.32 2.04 -1.42 -1.93 117.51 120.61 3h2a h ILE 80 Ca 0.28 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3h2a h ILE 80 Cb -0.10 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3h2a h ILE 80 CO -0.06 0.35 0.15 0.11 0.00 0.00 0.00 178.15 178.70 3h2a h LYS 81 N 0.42 0.02 0.18 2.37 1.57 -1.24 -0.09 116.57 119.80 3h2a h LYS 81 Ca 0.09 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.53 3h2a h LYS 81 Cb 0.53 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3h2a h LYS 81 CO 0.03 0.01 -1.66 -0.09 -0.57 0.00 0.00 179.45 177.17 3h2a h ARG 82 N 0.02 0.39 0.05 3.15 2.43 -1.29 -3.31 114.38 115.81 3h2a h ARG 82 Ca 0.10 -0.66 -0.30 0.00 -0.81 0.00 0.00 59.98 58.30 3h2a h ARG 82 Cb 0.37 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3h2a h ARG 82 CO -0.00 1.32 -1.69 -0.24 -1.51 0.00 0.00 179.97 177.84 3h2a h VAL 83 N 0.04 0.91 0.00 0.20 3.04 -1.08 -3.36 116.25 116.00 3h2a h VAL 83 Ca -0.33 -2.69 0.03 0.00 -1.01 0.00 0.00 66.70 62.70 3h2a h VAL 83 Cb 2.05 2.52 -0.03 0.00 -2.01 0.00 0.00 31.29 33.82 3h2a h VAL 83 CO 0.17 0.67 -0.18 0.58 -1.01 0.00 0.00 177.57 177.80 3h2a h VAL 84 N 0.03 0.57 -0.95 1.51 2.07 -1.25 -1.74 116.25 116.50 3h2a h VAL 84 Ca -0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3h2a h VAL 84 Cb 2.00 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 3h2a h VAL 84 CO 0.10 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.64 3h2a h PRO 85 N -0.29 1.06 -0.51 1.57 0.11 -1.78 -0.70 132.00 131.46 3h2a h PRO 85 Ca 0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3h2a h PRO 85 Cb 0.36 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3h2a h PRO 85 CO -0.17 0.70 0.03 0.52 -0.21 0.00 0.00 178.00 178.88 3h2a h MET 86 N 1.09 0.83 -0.29 1.05 2.86 -1.64 -1.14 114.93 117.69 3h2a h MET 86 Ca 0.42 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 3h2a h MET 86 Cb 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3h2a h MET 86 CO -0.18 0.82 -0.07 0.82 1.06 0.00 0.00 176.91 179.36 3h2a h ILE 87 N 0.78 1.28 -0.76 -1.22 2.04 -0.80 -1.40 117.51 117.43 3h2a h ILE 87 Ca 0.16 -1.10 0.10 0.00 1.00 0.00 0.00 64.86 65.02 3h2a h ILE 87 Cb 0.43 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 3h2a h ILE 87 CO 0.02 0.35 0.39 1.56 0.00 0.00 0.00 178.15 180.47 3h2a h GLN 88 N 0.33 0.62 0.07 2.37 4.20 -0.91 0.13 115.11 121.92 3h2a h GLN 88 Ca 0.07 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.50 3h2a h GLN 88 Cb 0.55 -0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.21 3h2a h GLN 88 CO 0.03 0.41 -1.03 0.00 -0.67 0.00 0.00 178.83 177.58 3h2a h ALA 89 N 1.45 0.03 -0.16 3.87 0.00 -1.14 -2.89 119.26 120.42 3h2a h ALA 89 Ca 0.38 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3h2a h ALA 89 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h2a h ALA 89 CO -0.28 0.58 -0.35 0.28 0.00 0.00 0.00 179.25 179.48 3h2a h VAL 90 N 0.16 1.35 -0.79 0.00 2.07 -1.22 -1.52 116.25 116.29 3h2a h VAL 90 Ca -0.15 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 65.90 3h2a h VAL 90 Cb 1.72 1.96 -0.09 0.00 -1.52 0.00 0.00 31.29 33.36 3h2a h VAL 90 CO 0.20 0.49 0.38 -1.28 0.02 0.00 0.00 177.57 177.37 3h2a h SER 91 N 0.17 0.43 -0.11 0.57 0.87 -0.84 0.30 113.55 114.94 3h2a h SER 91 Ca 0.00 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 3h2a h SER 91 Cb 0.95 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3h2a h SER 91 CO 0.08 0.19 -0.37 0.50 -0.53 0.00 0.00 176.83 176.70 3h2a h LYS 92 N 0.56 0.44 0.00 2.24 3.64 -1.49 -3.38 116.57 118.58 3h2a h LYS 92 Ca 0.43 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3h2a h LYS 92 Cb 0.59 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3h2a h LYS 92 CO -0.36 0.95 -1.39 0.39 -2.27 0.00 0.00 179.45 176.78 3h2a n GLU 93 N -4.35 0.59 -3.96 1.90 1.02 -0.58 -4.76 120.64 110.51 3h2a n GLU 93 Ca -0.08 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 3h2a n GLU 93 Cb 0.52 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 30.10 3h2a n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2a s VAL 94 N -3.41 1.55 -1.29 2.62 1.01 0.10 -5.02 120.40 115.96 3h2a s VAL 94 Ca -0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 3h2a s VAL 94 Cb 0.12 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3h2a s VAL 94 CO 0.84 0.06 1.98 0.29 0.00 0.00 0.00 175.10 178.27 3h2a n LYS 95 N 4.70 2.70 -3.78 2.72 4.76 -1.26 -4.49 118.16 123.50 3h2a n LYS 95 Ca -0.13 -2.76 -0.12 0.00 -2.87 0.00 0.00 58.31 52.42 3h2a n LYS 95 Cb 0.46 -3.37 -0.08 0.00 -1.84 0.00 0.00 35.03 30.19 3h2a n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h2a s LEU 96 N 3.75 0.97 0.39 -0.35 1.43 -1.26 -5.12 118.68 118.50 3h2a s LEU 96 Ca 0.53 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 3h2a s LEU 96 Cb 0.09 1.20 -0.09 0.00 0.03 0.00 0.00 46.19 47.42 3h2a s LEU 96 CO 0.02 -0.49 1.32 -2.84 0.23 0.00 0.00 176.35 174.60 3h2a s PRO 97 N -1.71 4.04 -0.15 1.29 0.02 -1.26 -4.83 135.00 132.40 3h2a s PRO 97 Ca -0.11 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.11 3h2a s PRO 97 Cb -0.04 -2.83 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 3h2a s PRO 97 CO 0.02 -0.45 -0.08 0.42 -0.33 0.00 0.00 177.00 176.57 3h2a s ILE 98 N -1.22 3.42 -0.02 2.83 1.01 -1.26 -1.07 121.20 124.88 3h2a s ILE 98 Ca 0.55 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 3h2a s ILE 98 Cb -0.39 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3h2a s ILE 98 CO 0.51 0.50 0.28 -0.94 0.00 0.00 0.00 174.94 175.29 3h2a s SER 99 N 0.49 6.55 -0.24 3.58 1.04 -0.54 0.23 113.70 124.83 3h2a s SER 99 Ca -0.06 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 3h2a s SER 99 Cb -0.15 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 3h2a s SER 99 CO 0.04 0.30 0.17 -0.51 0.98 0.00 0.00 173.24 174.22 3h2a s ILE 100 N -1.19 5.36 -1.22 -1.02 1.10 0.42 -1.33 121.20 123.32 3h2a s ILE 100 Ca 0.24 0.20 -0.13 0.00 -0.51 0.00 0.00 60.65 60.45 3h2a s ILE 100 Cb -0.14 -3.51 0.17 0.00 0.15 0.00 0.00 42.46 39.14 3h2a s ILE 100 CO 0.13 0.34 1.48 -0.67 -2.11 0.00 0.00 174.94 174.11 3h2a n ASP 101 N 4.28 5.22 -4.09 4.50 4.64 -0.36 0.37 116.55 131.12 3h2a n ASP 101 Ca -0.15 -3.00 -0.10 0.00 -1.38 0.00 0.00 54.79 50.16 3h2a n ASP 101 Cb 0.52 -1.56 -0.11 0.00 -1.04 0.00 0.00 41.12 38.94 3h2a n ASP 101 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3h2a s THR 102 N 1.34 0.47 -1.53 5.18 -1.32 -0.92 -3.97 115.64 114.88 3h2a s THR 102 Ca 0.42 -1.48 0.13 0.00 -1.21 0.00 0.00 61.69 59.56 3h2a s THR 102 Cb -0.02 -1.09 0.07 0.00 -1.51 0.00 0.00 72.50 69.96 3h2a s THR 102 CO 0.00 -0.68 0.87 0.00 -2.21 0.00 0.00 174.62 172.60 3h2a n TYR 103 N 0.73 0.00 -3.58 9.09 0.18 -1.26 -3.78 117.16 118.54 3h2a n TYR 103 Ca -0.18 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.23 3h2a n TYR 103 Cb 0.58 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.48 3h2a n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2a s LYS 104 N -1.31 3.99 0.05 -3.48 1.02 -1.26 -4.03 119.74 114.72 3h2a s LYS 104 Ca 0.14 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 3h2a s LYS 104 Cb 0.11 -3.31 -0.13 0.00 -0.52 0.00 0.00 37.83 33.99 3h2a s LYS 104 CO 0.23 0.50 1.40 0.00 -0.92 0.00 0.00 175.35 176.55 3h2a h ALA 105 N 5.66 0.25 -0.92 5.17 0.00 -1.91 -1.99 119.26 125.52 3h2a h ALA 105 Ca -0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3h2a h ALA 105 Cb 1.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3h2a h ALA 105 CO 0.67 0.08 0.51 1.49 0.00 0.00 0.00 179.25 182.00 3h2a h GLU 106 N 0.05 1.27 -0.64 0.00 4.57 -1.95 -0.27 114.58 117.62 3h2a h GLU 106 Ca 0.04 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 3h2a h GLU 106 Cb 0.59 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3h2a h GLU 106 CO 0.03 0.92 0.27 0.28 -1.18 0.00 0.00 179.01 179.33 3h2a h VAL 107 N 1.28 1.23 -0.37 0.32 2.07 -1.88 -2.38 116.25 116.52 3h2a h VAL 107 Ca 0.32 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3h2a h VAL 107 Cb 0.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3h2a h VAL 107 CO -0.05 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.88 3h2a h ALA 108 N 1.11 0.49 0.16 1.67 0.00 -0.88 -2.04 119.26 119.78 3h2a h ALA 108 Ca 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h2a h ALA 108 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3h2a h ALA 108 CO -0.02 0.19 -0.44 -0.22 0.00 0.00 0.00 179.25 178.75 3h2a h LYS 109 N 0.45 -0.65 -0.89 0.00 3.64 -0.94 -2.14 116.57 116.04 3h2a h LYS 109 Ca 0.11 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.71 3h2a h LYS 109 Cb 0.35 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 3h2a h LYS 109 CO 0.01 -0.43 0.46 1.96 -2.27 0.00 0.00 179.45 179.17 3h2a h GLN 110 N -0.67 0.58 -0.56 1.90 1.08 -1.43 -1.96 115.11 114.05 3h2a h GLN 110 Ca -0.01 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 3h2a h GLN 110 Cb 0.66 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3h2a h GLN 110 CO -0.20 0.38 -0.03 0.00 -0.95 0.00 0.00 178.83 178.03 3h2a h ALA 111 N 1.61 0.75 -0.29 3.87 0.00 -1.03 0.19 119.26 124.36 3h2a h ALA 111 Ca 0.51 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3h2a h ALA 111 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h2a h ALA 111 CO -0.41 0.61 -0.40 0.82 0.00 0.00 0.00 179.25 179.87 3h2a h ILE 112 N 0.89 1.29 -0.31 0.00 2.04 -1.15 0.42 117.51 120.69 3h2a h ILE 112 Ca 0.15 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 3h2a h ILE 112 Cb 0.58 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3h2a h ILE 112 CO 0.03 0.51 0.18 -0.33 0.00 0.00 0.00 178.15 178.54 3h2a h GLU 113 N 0.57 0.42 0.00 2.37 4.39 -1.05 -2.07 114.58 119.21 3h2a h GLU 113 Ca 0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3h2a h GLU 113 Cb 0.94 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3h2a h GLU 113 CO 0.09 0.30 -0.28 0.00 -1.16 0.00 0.00 179.01 177.96 3h2a h ALA 114 N 1.77 0.83 0.00 3.43 0.00 -0.23 -3.47 119.26 121.59 3h2a h ALA 114 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h2a h ALA 114 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h2a h ALA 114 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3h2a n GLY 115 N 1.26 -0.01 3.77 0.00 0.00 -0.60 -3.92 105.19 105.69 3h2a n GLY 115 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3h2a n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2a s ALA 116 N -0.94 3.08 -0.07 4.61 0.00 0.14 -4.68 121.76 123.89 3h2a s ALA 116 Ca 0.00 0.87 0.14 0.00 0.00 0.00 0.00 51.96 52.97 3h2a s ALA 116 Cb 0.00 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 3h2a s ALA 116 CO 0.00 -0.47 0.20 0.72 0.00 0.00 0.00 175.76 176.22 3h2a n HIS 117 N -0.14 0.00 -3.92 0.00 -0.00 0.63 -4.32 115.22 107.48 3h2a n HIS 117 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 3h2a n HIS 117 Cb 0.48 -0.49 -0.13 0.00 -0.00 0.00 0.00 29.99 29.85 3h2a n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2a s ILE 118 N -2.72 0.07 -0.16 1.59 1.01 -0.54 -4.04 121.20 116.41 3h2a s ILE 118 Ca -0.06 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 3h2a s ILE 118 Cb 0.07 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.40 3h2a s ILE 118 CO 0.59 -0.08 0.13 -0.63 0.00 0.00 0.00 174.94 174.95 3h2a s ILE 119 N -0.28 5.39 -0.47 2.92 1.01 0.14 -0.44 121.20 129.47 3h2a s ILE 119 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3h2a s ILE 119 Cb -0.02 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.16 3h2a s ILE 119 CO -0.00 0.52 0.23 0.21 0.00 0.00 0.00 174.94 175.90 3h2a s ASN 120 N -0.24 4.88 -0.33 3.58 2.47 0.16 0.00 114.94 125.46 3h2a s ASN 120 Ca 0.11 -2.50 -0.11 0.00 0.42 0.00 0.00 52.86 50.77 3h2a s ASN 120 Cb -0.11 -1.73 -0.01 0.00 -1.45 0.00 0.00 41.25 37.95 3h2a s ASN 120 CO 0.01 -0.38 0.19 -0.62 -3.72 0.00 0.00 177.10 172.58 3h2a s ASP 121 N 0.78 5.74 0.00 -4.21 3.68 -0.78 -2.17 116.67 119.70 3h2a s ASP 121 Ca 0.13 -0.56 0.25 0.00 2.13 0.00 0.00 52.55 54.51 3h2a s ASP 121 Cb -0.22 -2.05 1.20 0.00 -1.45 0.00 0.00 42.92 40.40 3h2a s ASP 121 CO -0.04 -0.24 1.84 2.30 0.13 0.00 0.00 175.17 179.16 3h2a n ILE 122 N 5.03 0.22 -0.61 4.11 -5.35 -1.26 -2.45 119.36 119.05 3h2a n ILE 122 Ca -0.13 0.06 0.06 0.00 -0.27 0.00 0.00 62.75 62.47 3h2a n ILE 122 Cb 0.49 -0.63 0.15 0.00 -1.74 0.00 0.00 39.64 37.90 3h2a n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2a n TRP 123 N -1.37 0.38 -4.14 4.28 7.02 -1.26 -4.45 117.44 117.90 3h2a n TRP 123 Ca 0.10 -0.74 -0.37 0.00 -1.02 0.00 0.00 57.50 55.47 3h2a n TRP 123 Cb 0.24 -0.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.94 3h2a n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2a n GLY 124 N -0.51 -0.45 3.03 6.99 0.00 -1.11 -0.69 105.19 112.44 3h2a n GLY 124 Ca 0.13 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3h2a n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2a n ALA 125 N -4.61 0.00 -0.03 4.61 0.00 -1.26 -4.54 120.51 114.67 3h2a n ALA 125 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 3h2a n ALA 125 Cb 0.59 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 3h2a n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2a n LYS 126 N -1.08 0.70 -0.15 0.00 5.02 0.13 -2.96 118.16 119.81 3h2a n LYS 126 Ca 0.00 0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3h2a n LYS 126 Cb 0.19 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 3h2a n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2a h ALA 127 N 0.43 0.62 -2.60 7.82 0.00 -1.88 -3.39 119.26 120.26 3h2a h ALA 127 Ca -0.42 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 53.58 3h2a h ALA 127 Cb 2.03 -0.15 -0.39 0.00 0.00 0.00 0.00 17.79 19.28 3h2a h ALA 127 CO 0.05 0.55 -0.82 -1.21 0.00 0.00 0.00 179.25 177.83 3h2a s GLU 128 N -4.71 0.44 0.36 0.00 2.02 -1.26 -5.03 118.70 110.53 3h2a s GLU 128 Ca -0.12 -1.06 0.12 0.00 0.02 0.00 0.00 54.97 53.93 3h2a s GLU 128 Cb 0.11 -1.21 0.90 0.00 0.10 0.00 0.00 34.13 34.03 3h2a s GLU 128 CO 0.85 -1.15 1.81 -1.35 0.02 0.00 0.00 175.26 175.43 3h2a h PRO 129 N 7.43 0.58 0.00 0.39 0.11 -1.74 -1.41 132.00 137.36 3h2a h PRO 129 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3h2a h PRO 129 Cb 0.99 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3h2a h PRO 129 CO 0.31 0.38 0.18 0.87 -0.21 0.00 0.00 178.00 179.53 3h2a h LYS 130 N 0.60 0.00 -0.64 1.05 1.57 -1.96 -1.34 116.57 115.85 3h2a h LYS 130 Ca 0.54 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 3h2a h LYS 130 Cb 1.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 3h2a h LYS 130 CO -0.29 0.00 0.27 0.97 -0.57 0.00 0.00 179.45 179.82 3h2a h ILE 131 N 0.00 1.22 -0.38 1.86 2.10 -1.59 -0.74 117.51 119.98 3h2a h ILE 131 Ca 0.00 -0.67 -0.07 0.00 1.08 0.00 0.00 64.86 65.19 3h2a h ILE 131 Cb 0.36 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.52 3h2a h ILE 131 CO 0.00 0.27 -0.07 0.00 -1.08 0.00 0.00 178.15 177.27 3h2a h ALA 132 N 1.38 1.17 -0.64 0.18 0.00 -1.46 0.21 119.26 120.09 3h2a h ALA 132 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3h2a h ALA 132 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3h2a h ALA 132 CO -0.02 0.53 0.24 1.49 0.00 0.00 0.00 179.25 181.49 3h2a h GLU 133 N 0.59 0.97 0.05 0.00 4.81 -1.48 0.38 114.58 119.89 3h2a h GLU 133 Ca 0.11 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3h2a h GLU 133 Cb 0.48 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3h2a h GLU 133 CO 0.03 0.82 -0.02 0.28 -0.73 0.00 0.00 179.01 179.39 3h2a h VAL 134 N 0.91 0.96 -0.52 0.32 2.07 -0.65 -1.80 116.25 117.54 3h2a h VAL 134 Ca 0.21 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.81 3h2a h VAL 134 Cb 0.23 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 3h2a h VAL 134 CO -0.01 0.01 0.05 0.00 0.02 0.00 0.00 177.57 177.64 3h2a h ALA 135 N 0.88 0.55 -0.46 1.67 0.00 -0.25 -2.29 119.26 119.37 3h2a h ALA 135 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h2a h ALA 135 Cb 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h2a h ALA 135 CO 0.01 -0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.15 3h2a h ALA 136 N 1.44 0.60 0.42 0.00 0.00 -0.07 0.30 119.26 121.94 3h2a h ALA 136 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h2a h ALA 136 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h2a h ALA 136 CO -0.39 0.14 -0.20 1.25 0.00 0.00 0.00 179.25 180.05 3h2a h HIS 137 N 0.61 -0.52 0.00 0.00 6.17 -1.14 -3.05 115.15 117.22 3h2a h HIS 137 Ca 0.16 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3h2a h HIS 137 Cb 0.09 0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.19 3h2a h HIS 137 CO -0.01 -0.19 0.00 0.66 0.71 0.00 0.00 177.93 179.09 3h2a n TYR 138 N -5.21 0.40 -3.25 5.26 4.01 -0.88 -4.89 117.16 112.61 3h2a n TYR 138 Ca -0.10 0.15 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3h2a n TYR 138 Cb 0.29 -0.75 0.05 0.00 -0.31 0.00 0.00 39.34 38.63 3h2a n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2a n ASP 139 N -1.86 -5.17 -4.90 7.72 -0.08 1.00 -5.00 116.55 108.26 3h2a n ASP 139 Ca 0.03 -0.37 -0.29 0.00 -1.51 0.00 0.00 54.79 52.64 3h2a n ASP 139 Cb 0.22 -3.79 -0.04 0.00 2.34 0.00 0.00 41.12 39.84 3h2a n ASP 139 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3h2a s VAL 140 N -3.21 5.21 0.41 5.18 -7.23 -0.93 -4.99 120.40 114.85 3h2a s VAL 140 Ca 0.41 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.76 3h2a s VAL 140 Cb -0.18 -3.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 3h2a s VAL 140 CO 0.50 0.06 1.36 -2.84 -0.31 0.00 0.00 175.10 173.88 3h2a s PRO 141 N -2.72 3.92 -0.05 4.82 0.02 -1.26 -4.80 135.00 134.93 3h2a s PRO 141 Ca 0.34 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.68 3h2a s PRO 141 Cb -0.12 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3h2a s PRO 141 CO 0.27 -0.58 -0.15 -1.50 -0.33 0.00 0.00 177.00 174.71 3h2a s ILE 142 N -1.22 1.33 -0.24 2.83 2.07 0.90 -0.69 121.20 126.18 3h2a s ILE 142 Ca 0.57 -0.64 -0.16 0.00 -1.41 0.00 0.00 60.65 59.01 3h2a s ILE 142 Cb -0.41 -1.16 -0.03 0.00 0.13 0.00 0.00 42.46 40.99 3h2a s ILE 142 CO 0.53 0.39 0.42 -0.63 -1.91 0.00 0.00 174.94 173.74 3h2a s ILE 143 N 0.23 5.15 -0.32 2.00 1.01 0.10 -1.78 121.20 127.59 3h2a s ILE 143 Ca -0.07 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 3h2a s ILE 143 Cb -0.13 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 3h2a s ILE 143 CO 0.03 0.17 0.16 -0.76 0.00 0.00 0.00 174.94 174.53 3h2a s LEU 144 N 1.87 4.19 -0.07 2.97 1.43 0.26 -1.86 118.68 127.47 3h2a s LEU 144 Ca 0.18 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3h2a s LEU 144 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3h2a s LEU 144 CO 0.09 -0.23 0.15 -0.32 0.23 0.00 0.00 176.35 176.27 3h2a s MET 145 N 1.59 3.40 0.11 1.70 1.75 -1.02 -1.08 119.30 125.75 3h2a s MET 145 Ca 0.04 -0.23 -0.31 0.00 -1.25 0.00 0.00 55.69 53.93 3h2a s MET 145 Cb -0.17 -3.12 -0.08 0.00 2.84 0.00 0.00 34.83 34.30 3h2a s MET 145 CO 0.06 0.73 1.44 -1.58 -0.65 0.00 0.00 175.02 175.02 3h2a s HIS 146 N -1.14 3.13 -0.11 4.11 2.46 0.54 -3.38 115.29 120.89 3h2a s HIS 146 Ca 0.20 0.84 -0.30 0.00 0.47 0.00 0.00 55.06 56.27 3h2a s HIS 146 Cb -0.12 -3.75 0.08 0.00 -0.13 0.00 0.00 32.58 28.66 3h2a s HIS 146 CO 0.10 -2.69 0.75 1.21 -2.47 0.00 0.00 174.74 171.64 3h2a s ASN 147 N 1.25 -0.62 0.09 9.88 3.84 -1.26 -4.06 114.94 124.06 3h2a s ASN 147 Ca 0.66 0.80 -0.09 0.00 0.21 0.00 0.00 52.86 54.44 3h2a s ASN 147 Cb -0.38 0.67 0.00 0.00 -0.55 0.00 0.00 41.25 40.99 3h2a s ASN 147 CO 0.30 -0.49 0.20 0.00 -2.79 0.00 0.00 177.10 174.32 3h2a s ARG 148 N -0.86 0.85 -0.01 0.43 1.70 -1.26 -4.97 118.95 114.82 3h2a s ARG 148 Ca -0.07 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 3h2a s ARG 148 Cb -0.01 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3h2a s ARG 148 CO 0.07 -0.27 0.67 -0.40 -1.08 0.00 0.00 175.30 174.29 3h2a n ASP 149 N -0.02 0.97 -3.62 -2.89 5.68 -1.26 -4.58 116.55 110.83 3h2a n ASP 149 Ca -0.15 -2.03 -0.06 0.00 -0.50 0.00 0.00 54.79 52.04 3h2a n ASP 149 Cb 0.62 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 3h2a n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h2a s ASN 150 N -0.27 -0.17 -0.14 -1.12 2.20 -1.26 -5.07 114.94 109.10 3h2a s ASN 150 Ca 0.03 -0.69 0.18 0.00 -0.94 0.00 0.00 52.86 51.44 3h2a s ASN 150 Cb 0.02 0.69 0.30 0.00 -2.00 0.00 0.00 41.25 40.26 3h2a s ASN 150 CO 0.01 -1.31 1.16 0.23 -2.94 0.00 0.00 177.10 174.24 3h2a n MET 151 N -0.49 1.29 -1.45 3.55 2.81 -1.26 -4.83 117.12 116.75 3h2a n MET 151 Ca -0.05 -2.64 -0.39 0.00 -1.81 0.00 0.00 57.70 52.80 3h2a n MET 151 Cb 0.60 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.60 3h2a n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h2a n ASN 152 N -1.36 5.93 -4.69 7.83 3.02 -1.26 -4.92 115.26 119.80 3h2a n ASN 152 Ca 0.16 -2.68 -0.42 0.00 -0.03 0.00 0.00 54.58 51.61 3h2a n ASN 152 Cb 0.65 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.25 3h2a n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h2a s TYR 153 N 2.90 3.34 -0.02 3.10 1.51 -1.26 -4.93 117.35 121.99 3h2a s TYR 153 Ca 0.57 1.35 -0.17 0.00 -1.01 0.00 0.00 57.07 57.81 3h2a s TYR 153 Cb 0.15 -3.35 -0.09 0.00 -0.11 0.00 0.00 41.96 38.56 3h2a s TYR 153 CO -0.06 -0.97 0.76 -0.09 -1.11 0.00 0.00 175.55 174.08 3h2a h ARG 154 N 7.20 -0.60 -3.45 -0.62 2.43 -2.02 -3.44 114.38 113.89 3h2a h ARG 154 Ca -0.36 0.04 -0.52 0.00 -0.81 0.00 0.00 59.98 58.33 3h2a h ARG 154 Cb 1.17 0.14 -0.40 0.00 -0.42 0.00 0.00 29.97 30.46 3h2a h ARG 154 CO 0.85 -0.40 -0.76 1.21 -1.51 0.00 0.00 179.97 179.36 3h2a s ASN 155 N -4.53 3.02 0.05 -3.80 2.47 -1.26 -5.07 114.94 105.81 3h2a s ASN 155 Ca -0.09 -0.92 -0.10 0.00 0.42 0.00 0.00 52.86 52.18 3h2a s ASN 155 Cb 0.01 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 39.21 3h2a s ASN 155 CO 0.27 -0.33 1.12 -0.11 -3.72 0.00 0.00 177.10 174.33 3h2a n LEU 156 N 5.06 -0.33 -0.31 3.21 7.94 -1.26 0.08 117.00 131.39 3h2a n LEU 156 Ca -0.08 1.19 -0.03 0.00 -1.11 0.00 0.00 56.01 55.98 3h2a n LEU 156 Cb 0.46 -0.39 0.11 0.00 0.53 0.00 0.00 43.42 44.13 3h2a n LEU 156 CO 0.12 -0.77 1.18 0.24 -1.11 0.00 0.00 177.39 177.05 3h2a h MET 157 N 0.00 1.21 -0.27 1.96 2.86 -1.97 0.97 114.93 119.69 3h2a h MET 157 Ca 0.05 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3h2a h MET 157 Cb 0.13 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3h2a h MET 157 CO -0.29 0.88 -0.09 0.00 1.06 0.00 0.00 176.91 178.48 3h2a h ALA 158 N 1.31 0.38 -0.61 6.32 0.00 -1.80 -1.10 119.26 123.76 3h2a h ALA 158 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h2a h ALA 158 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h2a h ALA 158 CO -0.05 0.21 0.34 -0.44 0.00 0.00 0.00 179.25 179.31 3h2a h ASP 159 N 0.29 0.76 0.36 0.00 3.32 -0.15 -1.05 116.42 119.95 3h2a h ASP 159 Ca 0.07 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h2a h ASP 159 Cb 0.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3h2a h ASP 159 CO 0.03 0.63 -0.33 -0.03 -1.72 0.00 0.00 179.24 177.82 3h2a h MET 160 N 0.83 -0.67 -0.67 3.56 4.05 -0.68 0.47 114.93 121.81 3h2a h MET 160 Ca 0.22 0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 3h2a h MET 160 Cb 0.03 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 3h2a h MET 160 CO -0.04 -0.45 0.45 0.82 0.23 0.00 0.00 176.91 177.92 3h2a h ILE 161 N -0.70 1.16 0.30 1.77 2.04 -1.20 0.29 117.51 121.17 3h2a h ILE 161 Ca -0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3h2a h ILE 161 Cb 0.62 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3h2a h ILE 161 CO -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 178.15 178.13 3h2a h ALA 162 N 1.58 -0.40 -0.90 1.87 0.00 -0.88 -1.34 119.26 119.19 3h2a h ALA 162 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h2a h ALA 162 Cb -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3h2a h ALA 162 CO -0.06 -0.67 0.51 -0.44 0.00 0.00 0.00 179.25 178.59 3h2a h ASP 163 N -0.52 1.10 -0.86 0.00 3.32 0.54 -1.37 116.42 118.64 3h2a h ASP 163 Ca -0.04 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3h2a h ASP 163 Cb 0.38 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3h2a h ASP 163 CO 0.07 0.86 0.49 -0.07 -1.72 0.00 0.00 179.24 178.87 3h2a h LEU 164 N 1.24 1.05 -1.06 1.55 3.38 -0.44 -2.71 115.31 118.33 3h2a h LEU 164 Ca 0.32 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3h2a h LEU 164 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3h2a h LEU 164 CO -0.05 0.83 0.11 1.88 0.09 0.00 0.00 178.44 181.30 3h2a h TYR 165 N 1.18 0.81 0.00 1.13 0.05 -0.18 -1.02 116.97 118.94 3h2a h TYR 165 Ca 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 3h2a h TYR 165 Cb -0.01 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.49 3h2a h TYR 165 CO 0.00 0.69 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.29 3h2a h ASP 166 N 0.76 0.00 -0.03 3.88 3.32 -1.10 -0.40 116.42 122.85 3h2a h ASP 166 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3h2a h ASP 166 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3h2a h ASP 166 CO 0.00 0.07 -0.50 0.28 -1.72 0.00 0.00 179.24 177.37 3h2a h SER 167 N 0.00 0.49 -0.79 6.45 0.02 -0.92 -2.96 113.55 115.84 3h2a h SER 167 Ca -0.00 -0.73 0.03 0.00 -0.84 0.00 0.00 61.79 60.25 3h2a h SER 167 Cb 0.15 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3h2a h SER 167 CO 0.01 1.15 0.52 0.40 -1.14 0.00 0.00 176.83 177.77 3h2a h ILE 168 N -0.13 1.13 -0.32 3.27 2.04 -0.77 -0.17 117.51 122.56 3h2a h ILE 168 Ca -0.06 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3h2a h ILE 168 Cb 1.20 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3h2a h ILE 168 CO 0.10 0.18 -0.11 0.50 0.00 0.00 0.00 178.15 178.82 3h2a h LYS 169 N 0.98 0.64 -0.53 2.37 1.63 -1.17 0.31 116.57 120.80 3h2a h LYS 169 Ca 0.31 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3h2a h LYS 169 Cb 0.04 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3h2a h LYS 169 CO -0.09 0.84 0.29 0.82 -3.45 0.00 0.00 179.45 177.86 3h2a h ILE 170 N 0.42 1.18 0.66 2.00 2.04 -1.27 0.14 117.51 122.68 3h2a h ILE 170 Ca 0.08 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3h2a h ILE 170 Cb 0.62 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3h2a h ILE 170 CO 0.04 0.19 -0.32 0.00 0.00 0.00 0.00 178.15 178.06 3h2a h ALA 171 N 1.13 -0.89 -0.73 1.87 0.00 -0.90 -2.40 119.26 117.34 3h2a h ALA 171 Ca 0.19 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3h2a h ALA 171 Cb 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3h2a h ALA 171 CO -0.03 -0.93 0.38 0.87 0.00 0.00 0.00 179.25 179.54 3h2a h LYS 172 N -1.02 0.64 0.00 0.00 1.57 -0.34 -1.22 116.57 116.19 3h2a h LYS 172 Ca -0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3h2a h LYS 172 Cb 0.71 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3h2a h LYS 172 CO 0.15 0.42 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.96 3h2a h ASP 173 N 0.66 0.00 1.12 0.86 3.45 -0.70 -1.91 116.42 119.90 3h2a h ASP 173 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3h2a h ASP 173 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3h2a h ASP 173 CO -0.25 0.05 -0.21 0.00 -1.57 0.00 0.00 179.24 177.26 3h2a n ALA 174 N -2.45 2.59 0.00 3.45 0.00 -0.52 -4.92 120.51 118.66 3h2a n ALA 174 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3h2a n ALA 174 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3h2a n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2a n GLY 175 N 1.38 1.05 3.67 0.00 0.00 -0.72 -4.64 105.19 105.92 3h2a n GLY 175 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3h2a n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2a s VAL 176 N -2.00 3.75 0.34 1.61 1.01 -0.84 -4.83 120.40 119.44 3h2a s VAL 176 Ca 0.00 0.97 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 3h2a s VAL 176 Cb 0.00 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 3h2a s VAL 176 CO 0.00 -0.07 1.29 -0.13 0.00 0.00 0.00 175.10 176.20 3h2a s ARG 177 N 3.54 4.32 0.48 2.72 0.52 -1.26 -4.29 118.95 124.97 3h2a s ARG 177 Ca 0.67 2.18 0.31 0.00 -0.52 0.00 0.00 55.73 58.37 3h2a s ARG 177 Cb -0.30 -3.03 1.41 0.00 0.52 0.00 0.00 34.95 33.55 3h2a s ARG 177 CO 0.26 -0.20 1.72 -0.44 0.02 0.00 0.00 175.30 176.65 3h2a h ASP 178 N 3.30 0.19 0.86 0.23 3.32 -1.96 0.18 116.42 122.54 3h2a h ASP 178 Ca -0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3h2a h ASP 178 Cb 1.23 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3h2a h ASP 178 CO 0.65 -0.02 0.00 -0.62 -1.72 0.00 0.00 179.24 177.53 3h2a n GLU 179 N -4.41 0.06 -0.62 3.56 1.02 -1.26 -2.26 120.64 116.73 3h2a n GLU 179 Ca 0.31 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.70 3h2a n GLU 179 Cb 1.28 -1.59 0.32 0.00 -0.02 0.00 0.00 31.44 31.43 3h2a n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h2a n ASN 180 N -1.71 4.65 -4.38 1.62 3.02 0.62 -4.82 115.26 114.26 3h2a n ASN 180 Ca 0.05 -2.79 -0.34 0.00 -0.03 0.00 0.00 54.58 51.47 3h2a n ASN 180 Cb 0.28 -0.58 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 3h2a n ASN 180 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h2a s ILE 181 N -2.45 3.43 0.05 2.41 1.01 -0.96 -0.07 121.20 124.62 3h2a s ILE 181 Ca 0.47 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.70 3h2a s ILE 181 Cb 0.35 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3h2a s ILE 181 CO 0.15 0.47 -0.22 -0.63 0.00 0.00 0.00 174.94 174.71 3h2a s ILE 182 N 0.82 1.81 0.21 2.92 1.01 -0.73 -4.21 121.20 123.03 3h2a s ILE 182 Ca -0.02 -1.29 0.09 0.00 0.00 0.00 0.00 60.65 59.43 3h2a s ILE 182 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3h2a s ILE 182 CO 0.01 0.22 -0.09 -0.76 0.00 0.00 0.00 174.94 174.33 3h2a s LEU 183 N -1.27 2.97 -0.06 2.97 1.43 0.40 -0.57 118.68 124.55 3h2a s LEU 183 Ca 0.09 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3h2a s LEU 183 Cb -0.09 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3h2a s LEU 183 CO 0.02 0.07 0.13 -0.62 0.23 0.00 0.00 176.35 176.18 3h2a s ASP 184 N -3.10 0.09 0.00 2.29 3.68 -0.24 -0.15 116.67 119.24 3h2a s ASP 184 Ca 0.27 0.27 0.15 0.00 2.13 0.00 0.00 52.55 55.36 3h2a s ASP 184 Cb -0.08 0.16 0.82 0.00 -1.45 0.00 0.00 42.92 42.37 3h2a s ASP 184 CO 0.16 -0.17 1.34 -0.81 0.13 0.00 0.00 175.17 175.83 3h2a n PRO 185 N 4.42 0.35 -3.60 4.34 -0.04 -1.26 -0.34 135.00 138.88 3h2a n PRO 185 Ca -0.23 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 3h2a n PRO 185 Cb 0.51 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3h2a n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2a n GLY 186 N -0.07 -0.33 3.74 0.55 0.00 -1.26 -4.44 105.19 103.38 3h2a n GLY 186 Ca 0.09 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3h2a n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2a s ILE 187 N -3.55 2.06 0.00 -0.61 -1.09 -1.26 -1.73 121.20 115.02 3h2a s ILE 187 Ca 0.01 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 3h2a s ILE 187 Cb -0.00 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3h2a s ILE 187 CO 0.78 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 3h2a n GLY 188 N 2.64 0.70 3.22 6.18 0.00 -1.26 -4.85 105.19 111.82 3h2a n GLY 188 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3h2a n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2a s PHE 189 N -2.79 2.54 -1.22 1.61 0.40 -0.70 -4.77 117.98 113.05 3h2a s PHE 189 Ca 0.00 -1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 55.27 3h2a s PHE 189 Cb 0.00 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.86 3h2a s PHE 189 CO 0.00 -0.40 0.25 0.00 0.70 0.00 0.00 175.22 175.77 3h2a n ALA 190 N 3.48 -0.90 -3.16 5.36 0.00 -1.26 -4.82 120.51 119.22 3h2a n ALA 190 Ca -0.19 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 3h2a n ALA 190 Cb 0.53 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 3h2a n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2a s LYS 191 N -5.47 0.10 1.02 0.00 1.02 -1.26 -4.57 119.74 110.59 3h2a s LYS 191 Ca 0.18 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.23 3h2a s LYS 191 Cb -0.09 -0.01 0.20 0.00 -0.52 0.00 0.00 37.83 37.42 3h2a s LYS 191 CO 0.22 -0.05 1.07 0.95 -0.92 0.00 0.00 175.35 176.63 3h2a s THR 192 N 0.31 2.22 0.25 2.17 -4.23 -1.26 -4.73 115.64 110.37 3h2a s THR 192 Ca -0.02 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.51 3h2a s THR 192 Cb -0.03 -2.32 0.23 0.00 1.34 0.00 0.00 72.50 71.72 3h2a s THR 192 CO -0.01 -0.09 1.89 -0.65 -0.54 0.00 0.00 174.62 175.22 3h2a h PRO 193 N -2.09 1.22 -0.61 3.99 0.11 -1.99 -0.26 132.00 132.37 3h2a h PRO 193 Ca -0.54 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 65.38 3h2a h PRO 193 Cb 1.31 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3h2a h PRO 193 CO 0.51 0.87 0.12 0.93 -0.21 0.00 0.00 178.00 180.22 3h2a h GLU 194 N 1.24 0.96 -0.34 1.05 4.39 -1.98 -2.37 114.58 117.53 3h2a h GLU 194 Ca 0.32 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3h2a h GLU 194 Cb -0.03 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3h2a h GLU 194 CO -0.06 0.88 -0.16 1.96 -1.16 0.00 0.00 179.01 180.46 3h2a h GLN 195 N 0.92 0.63 -0.63 2.33 4.20 -1.82 -0.46 115.11 120.26 3h2a h GLN 195 Ca 0.19 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h2a h GLN 195 Cb 0.37 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3h2a h GLN 195 CO 0.00 0.76 0.39 -0.91 -0.67 0.00 0.00 178.83 178.41 3h2a h ASN 196 N 0.56 0.75 -0.56 1.46 2.35 -0.81 0.09 115.58 119.43 3h2a h ASN 196 Ca 0.09 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3h2a h ASN 196 Cb 0.60 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3h2a h ASN 196 CO 0.04 0.58 0.11 -0.07 -1.65 0.00 0.00 177.43 176.44 3h2a h LEU 197 N 0.86 0.87 -0.95 1.61 3.38 -1.26 -1.82 115.31 117.99 3h2a h LEU 197 Ca 0.23 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3h2a h LEU 197 Cb -0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3h2a h LEU 197 CO -0.05 0.89 0.63 -0.08 0.09 0.00 0.00 178.44 179.92 3h2a h GLU 198 N 0.80 1.22 -0.50 1.13 4.81 -0.84 0.14 114.58 121.33 3h2a h GLU 198 Ca 0.17 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3h2a h GLU 198 Cb 0.38 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3h2a h GLU 198 CO 0.01 0.81 -0.09 0.00 -0.73 0.00 0.00 179.01 179.00 3h2a h ALA 199 N 1.36 0.69 -0.54 2.92 0.00 -0.84 -2.12 119.26 120.73 3h2a h ALA 199 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h2a h ALA 199 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3h2a h ALA 199 CO -0.09 0.58 0.35 0.52 0.00 0.00 0.00 179.25 180.60 3h2a h MET 200 N 0.81 0.72 -0.00 0.00 2.86 -1.07 -0.57 114.93 117.67 3h2a h MET 200 Ca 0.13 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3h2a h MET 200 Cb 0.64 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3h2a h MET 200 CO 0.04 0.50 0.00 -0.09 1.06 0.00 0.00 176.91 178.42 3h2a h ARG 201 N 0.73 0.00 0.00 1.72 2.43 -0.50 -3.17 114.38 115.59 3h2a h ARG 201 Ca 0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3h2a h ARG 201 Cb -0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3h2a h ARG 201 CO -0.04 0.00 -0.05 0.09 -1.51 0.00 0.00 179.97 178.46 3h2a n ASN 202 N -4.44 2.17 -0.19 -3.80 3.02 -0.82 -4.79 115.26 106.42 3h2a n ASN 202 Ca -0.03 -3.05 0.15 0.00 -0.03 0.00 0.00 54.58 51.63 3h2a n ASN 202 Cb 0.09 -0.42 0.49 0.00 -0.61 0.00 0.00 39.78 39.33 3h2a n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2a h LEU 203 N 0.04 0.42 -2.62 3.41 3.38 -1.08 -2.33 115.31 116.53 3h2a h LEU 203 Ca -0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3h2a h LEU 203 Cb 1.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3h2a h LEU 203 CO 0.00 0.21 0.05 1.05 0.09 0.00 0.00 178.44 179.84 3h2a h GLU 204 N 0.45 0.00 0.00 1.13 9.09 -1.87 -1.97 114.58 121.41 3h2a h GLU 204 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.80 3h2a h GLU 204 Cb 0.87 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.97 3h2a h GLU 204 CO -0.13 0.00 -0.01 1.96 0.05 0.00 0.00 179.01 180.87 3h2a h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.76 -1.63 115.11 116.98 3h2a h GLN 205 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3h2a h GLN 205 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3h2a h GLN 205 CO -0.00 0.01 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.94 3h2a h LEU 206 N 0.00 0.00 -2.23 1.46 3.38 -1.57 -2.95 115.31 113.40 3h2a h LEU 206 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2a h LEU 206 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3h2a h LEU 206 CO 0.00 0.17 0.01 0.78 0.09 0.00 0.00 178.44 179.49 3h2a h ASN 207 N 0.00 0.00 0.44 -0.43 2.35 -1.47 -2.45 115.58 114.02 3h2a h ASN 207 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h2a h ASN 207 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3h2a h ASN 207 CO 0.02 0.00 -0.06 -0.37 -1.65 0.00 0.00 177.43 175.37 3h2a h VAL 208 N 0.00 0.29 0.00 2.81 -1.51 -1.69 -1.94 116.25 114.21 3h2a h VAL 208 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3h2a h VAL 208 Cb 0.02 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3h2a h VAL 208 CO -0.00 0.06 0.00 0.18 -1.23 0.00 0.00 177.57 176.58 3h2a n LEU 209 N -3.37 0.65 0.00 4.19 4.32 -0.92 -4.90 117.00 116.97 3h2a n LEU 209 Ca -0.01 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 3h2a n LEU 209 Cb 0.22 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 3h2a n LEU 209 CO 0.27 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.49 3h2a n GLY 210 N -0.02 0.70 3.53 -0.72 0.00 -0.73 -5.06 105.19 102.88 3h2a n GLY 210 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3h2a n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2a s TYR 211 N -2.30 2.54 0.42 1.61 1.51 -1.26 -5.10 117.35 114.77 3h2a s TYR 211 Ca 0.00 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 55.54 3h2a s TYR 211 Cb 0.00 -1.24 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 3h2a s TYR 211 CO 0.00 0.51 1.33 -2.30 -1.11 0.00 0.00 175.55 173.98 3h2a n PRO 212 N 0.12 2.07 -4.62 -1.71 -0.02 -1.26 -4.78 135.00 124.80 3h2a n PRO 212 Ca -0.11 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 3h2a n PRO 212 Cb 0.56 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3h2a n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h2a s VAL 213 N -1.19 3.53 -0.17 -1.45 1.01 -1.26 -0.45 120.40 120.43 3h2a s VAL 213 Ca 0.60 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3h2a s VAL 213 Cb -0.49 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3h2a s VAL 213 CO 0.58 0.54 0.03 -0.22 0.00 0.00 0.00 175.10 176.04 3h2a s LEU 214 N -0.12 3.65 -0.20 3.92 0.20 0.78 -0.20 118.68 126.71 3h2a s LEU 214 Ca 0.01 0.03 -0.08 0.00 0.69 0.00 0.00 54.13 54.79 3h2a s LEU 214 Cb -0.13 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 3h2a s LEU 214 CO 0.03 0.19 0.07 -0.22 -0.29 0.00 0.00 176.35 176.13 3h2a s LEU 215 N 0.26 3.74 -0.39 -0.68 2.96 -0.12 -4.08 118.68 120.37 3h2a s LEU 215 Ca 0.02 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3h2a s LEU 215 Cb -0.13 -1.96 0.11 0.00 0.50 0.00 0.00 46.19 44.71 3h2a s LEU 215 CO 0.01 0.12 0.12 -0.83 -1.32 0.00 0.00 176.35 174.44 3h2a s GLY 216 N 0.70 2.06 0.00 7.98 0.00 -1.26 -0.49 107.32 116.31 3h2a s GLY 216 Ca 0.04 -2.73 0.00 0.00 0.00 0.00 0.00 44.72 42.02 3h2a s GLY 216 CO 0.02 0.99 0.15 -1.30 0.00 0.00 0.00 173.10 172.95 3h2a n THR 217 N 3.92 0.00 -1.44 0.90 -2.24 -1.26 -4.41 114.28 109.75 3h2a n THR 217 Ca 0.04 -0.40 -0.56 0.00 -2.27 0.00 0.00 64.05 60.86 3h2a n THR 217 Cb 0.39 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 3h2a n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h2a n SER 218 N -0.49 1.62 -0.24 3.42 2.88 -1.26 -2.15 113.62 117.39 3h2a n SER 218 Ca 0.00 0.67 -0.03 0.00 -1.33 0.00 0.00 58.87 58.18 3h2a n SER 218 Cb 0.02 -1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 62.38 3h2a n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h2a n ARG 219 N 7.21 -1.21 -2.03 -1.46 1.74 -1.26 -4.92 116.66 114.74 3h2a n ARG 219 Ca 0.43 0.48 -0.33 0.00 -0.77 0.00 0.00 57.85 57.65 3h2a n ARG 219 Cb 0.10 -4.47 0.02 0.00 -1.02 0.00 0.00 32.46 27.09 3h2a n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2a s LYS 220 N -1.72 3.19 0.41 5.56 1.02 -0.92 -4.82 119.74 122.47 3h2a s LYS 220 Ca 0.00 1.35 0.26 0.00 0.02 0.00 0.00 55.97 57.60 3h2a s LYS 220 Cb 0.00 -2.01 1.35 0.00 -0.52 0.00 0.00 37.83 36.65 3h2a s LYS 220 CO 0.00 -0.93 1.63 1.03 -0.92 0.00 0.00 175.35 176.16 3h2a h SER 221 N 0.53 0.30 0.80 2.83 0.87 -1.91 -1.59 113.55 115.38 3h2a h SER 221 Ca -0.48 0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 3h2a h SER 221 Cb 1.24 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 3h2a h SER 221 CO 0.56 -0.19 -0.40 2.19 -0.53 0.00 0.00 176.83 178.46 3h2a h PHE 222 N 0.13 0.00 -0.31 2.24 -5.15 -1.94 0.58 116.94 112.48 3h2a h PHE 222 Ca 0.80 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.54 3h2a h PHE 222 Cb 2.34 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.50 3h2a h PHE 222 CO -0.01 0.40 0.08 0.82 -2.00 0.00 0.00 178.31 177.60 3h2a h ILE 223 N 0.00 1.22 -0.00 0.88 2.04 -1.64 -2.39 117.51 117.61 3h2a h ILE 223 Ca -0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 3h2a h ILE 223 Cb 0.91 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3h2a h ILE 223 CO 0.05 0.24 -0.24 1.23 0.00 0.00 0.00 178.15 179.43 3h2a h GLY 224 N 0.34 0.01 1.67 5.37 0.00 -1.38 -0.71 103.07 108.37 3h2a h GLY 224 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 3h2a h GLY 224 CO 0.00 0.00 -0.52 0.84 0.00 0.00 0.00 176.54 176.87 3h2a h HIS 225 N 0.01 0.44 0.00 5.60 -0.00 -0.68 0.25 115.15 120.77 3h2a h HIS 225 Ca -0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 3h2a h HIS 225 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3h2a h HIS 225 CO 0.00 0.80 -0.06 0.28 -0.00 0.00 0.00 177.93 178.95 3h2a h VAL 226 N 0.28 1.68 0.00 5.26 2.07 -1.02 -3.37 116.25 121.14 3h2a h VAL 226 Ca 0.01 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3h2a h VAL 226 Cb 1.00 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 3h2a h VAL 226 CO 0.09 0.54 -0.51 -0.07 0.02 0.00 0.00 177.57 177.64 3h2a h LEU 227 N -0.82 0.00 -2.96 2.57 3.38 -1.17 -3.48 115.31 112.83 3h2a h LEU 227 Ca -0.01 -0.16 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 3h2a h LEU 227 Cb 0.92 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.78 3h2a h LEU 227 CO 0.01 0.08 -0.86 -0.67 0.09 0.00 0.00 178.44 177.09 3h2a n ASP 228 N -2.20 -5.88 -3.87 -0.43 -0.08 0.87 -5.04 116.55 99.92 3h2a n ASP 228 Ca 0.04 -0.86 -0.12 0.00 -1.51 0.00 0.00 54.79 52.33 3h2a n ASP 228 Cb 0.45 -3.98 -0.14 0.00 2.34 0.00 0.00 41.12 39.78 3h2a n ASP 228 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3h2a s LEU 229 N -5.93 1.95 0.92 -2.67 1.43 -1.17 -5.06 118.68 108.15 3h2a s LEU 229 Ca 0.42 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 3h2a s LEU 229 Cb -0.12 -0.03 0.15 0.00 0.03 0.00 0.00 46.19 46.22 3h2a s LEU 229 CO 0.82 -0.00 1.11 -2.16 0.23 0.00 0.00 176.35 176.35 3h2a s PRO 230 N 0.04 1.01 0.47 1.29 0.04 -1.26 -4.45 135.00 132.15 3h2a s PRO 230 Ca -0.00 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.53 3h2a s PRO 230 Cb -0.01 -1.75 1.28 0.00 0.04 0.00 0.00 34.50 34.06 3h2a s PRO 230 CO -0.00 -2.53 1.85 -0.24 0.04 0.00 0.00 177.00 176.11 3h2a h VAL 231 N -1.78 0.58 -0.00 -0.36 3.04 -1.98 0.16 116.25 115.90 3h2a h VAL 231 Ca -0.47 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3h2a h VAL 231 Cb 1.27 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3h2a h VAL 231 CO 0.47 0.04 -0.05 -1.84 -1.01 0.00 0.00 177.57 175.18 3h2a n GLU 232 N -4.41 0.76 -0.76 4.17 0.00 -1.26 -3.31 120.64 115.83 3h2a n GLU 232 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 57.16 57.18 3h2a n GLU 232 Cb 0.88 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 31.02 3h2a n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2a n GLU 233 N -0.97 1.80 -0.41 3.44 -0.58 0.57 -4.73 120.64 119.75 3h2a n GLU 233 Ca 0.17 -3.21 0.08 0.00 -0.42 0.00 0.00 57.16 53.79 3h2a n GLU 233 Cb 0.23 -1.77 0.25 0.00 -0.57 0.00 0.00 31.44 29.57 3h2a n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2a n ARG 234 N -1.12 2.86 -0.07 3.49 1.74 -1.21 -4.69 116.66 117.67 3h2a n ARG 234 Ca 0.30 -2.76 -0.15 0.00 -0.77 0.00 0.00 57.85 54.47 3h2a n ARG 234 Cb 0.96 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 3h2a n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2a h LEU 235 N 1.75 0.92 -0.31 0.55 5.85 -1.86 0.16 115.31 122.36 3h2a h LEU 235 Ca 0.00 -0.55 -0.12 0.00 0.84 0.00 0.00 57.88 58.05 3h2a h LEU 235 Cb 1.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3h2a h LEU 235 CO 0.19 1.30 -0.27 -0.33 -0.34 0.00 0.00 178.44 179.00 3h2a h GLU 236 N 0.58 0.74 -0.54 1.25 3.07 -1.99 -1.43 114.58 116.26 3h2a h GLU 236 Ca 0.00 -0.37 -0.08 0.00 -0.50 0.00 0.00 59.36 58.41 3h2a h GLU 236 Cb 1.16 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 3h2a h GLU 236 CO 0.12 0.99 0.02 0.78 -1.40 0.00 0.00 179.01 179.52 3h2a h GLY 237 N 0.50 0.97 1.48 -3.84 0.00 -1.85 -1.34 103.07 98.99 3h2a h GLY 237 Ca 0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3h2a h GLY 237 CO 0.07 0.61 -0.05 -0.84 0.00 0.00 0.00 176.54 176.33 3h2a h THR 238 N 0.84 1.23 -0.54 4.70 2.02 -0.65 -2.69 112.91 117.82 3h2a h THR 238 Ca 0.16 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 3h2a h THR 238 Cb 0.47 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3h2a h THR 238 CO 0.02 0.33 0.03 1.23 0.37 0.00 0.00 175.52 177.51 3h2a h GLY 239 N 0.93 1.01 0.83 2.16 0.00 -0.52 -0.64 103.07 106.84 3h2a h GLY 239 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.75 3h2a h GLY 239 CO 0.02 0.66 0.05 0.00 0.00 0.00 0.00 176.54 177.28 3h2a h ALA 240 N 0.97 0.20 -0.40 3.60 0.00 -1.12 0.48 119.26 122.99 3h2a h ALA 240 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h2a h ALA 240 Cb 0.49 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3h2a h ALA 240 CO 0.02 -0.38 0.19 1.79 0.00 0.00 0.00 179.25 180.87 3h2a h THR 241 N 0.14 1.17 -0.53 0.00 1.35 -1.24 -0.06 112.91 113.75 3h2a h THR 241 Ca 0.08 -0.50 0.07 0.00 -0.55 0.00 0.00 66.41 65.51 3h2a h THR 241 Cb 0.06 0.77 -0.06 0.00 -1.73 0.00 0.00 68.15 67.20 3h2a h THR 241 CO -0.10 0.19 0.21 0.58 -0.25 0.00 0.00 175.52 176.15 3h2a h VAL 242 N 0.50 0.84 -0.12 6.82 2.07 -0.94 0.92 116.25 126.34 3h2a h VAL 242 Ca 0.14 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3h2a h VAL 242 Cb 0.12 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3h2a h VAL 242 CO -0.02 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.68 3h2a h LEU 244 N -0.01 0.91 -0.33 0.00 5.85 -0.93 -1.71 115.31 119.09 3h2a h LEU 244 Ca 0.04 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3h2a h LEU 244 Cb 0.25 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3h2a h LEU 244 CO 0.00 0.70 0.12 1.23 -0.34 0.00 0.00 178.44 180.16 3h2a h GLY 245 N 1.04 0.42 1.02 3.75 0.00 -0.52 -0.47 103.07 108.31 3h2a h GLY 245 Ca 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 3h2a h GLY 245 CO -0.05 0.04 0.10 -2.22 0.00 0.00 0.00 176.54 174.41 3h2a h ILE 246 N 0.27 1.25 0.00 2.60 2.04 -1.05 -2.18 117.51 120.44 3h2a h ILE 246 Ca 0.15 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3h2a h ILE 246 Cb 0.11 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3h2a h ILE 246 CO -0.14 0.35 -0.05 -0.08 0.00 0.00 0.00 178.15 178.23 3h2a h GLU 247 N 0.84 0.00 -0.23 2.37 4.22 -0.84 -1.33 114.58 119.61 3h2a h GLU 247 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3h2a h GLU 247 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3h2a h GLU 247 CO 0.01 0.05 0.00 1.63 -2.18 0.00 0.00 179.01 178.52 3h2a n LYS 248 N -4.44 1.79 0.00 1.92 5.02 -0.23 -4.94 118.16 117.28 3h2a n LYS 248 Ca -0.03 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.07 3h2a n LYS 248 Cb 0.13 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3h2a n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2a n GLY 249 N 1.13 0.72 3.78 0.72 0.00 -0.50 -4.11 105.19 106.92 3h2a n GLY 249 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3h2a n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2a h GLU 251 N 3.02 0.00 -4.66 0.00 3.07 -0.94 -3.44 114.58 111.63 3h2a h GLU 251 Ca -0.51 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.05 3h2a h GLU 251 Cb 1.24 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.93 3h2a h GLU 251 CO 0.64 0.38 -0.74 -0.06 -1.40 0.00 0.00 179.01 177.83 3h2a s PHE 252 N -2.89 0.74 0.01 4.33 0.40 -0.92 -1.03 117.98 118.61 3h2a s PHE 252 Ca -0.02 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 3h2a s PHE 252 Cb 0.08 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 43.16 3h2a s PHE 252 CO 0.80 -0.06 -0.20 0.14 0.70 0.00 0.00 175.22 176.60 3h2a s VAL 253 N -1.22 1.62 -0.40 -0.44 -7.23 -0.68 -0.95 120.40 111.10 3h2a s VAL 253 Ca -0.07 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 3h2a s VAL 253 Cb -0.09 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.54 3h2a s VAL 253 CO 0.01 0.37 0.23 -0.60 -0.31 0.00 0.00 175.10 174.79 3h2a s ARG 254 N -0.72 2.67 0.06 4.82 3.52 0.35 0.00 118.95 129.66 3h2a s ARG 254 Ca 0.08 -1.33 0.05 0.00 -0.13 0.00 0.00 55.73 54.40 3h2a s ARG 254 Cb -0.08 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 3h2a s ARG 254 CO 0.00 -0.86 -0.14 0.14 -0.81 0.00 0.00 175.30 173.63 3h2a s VAL 255 N 1.46 1.12 -0.10 7.11 -7.23 0.57 -3.99 120.40 119.34 3h2a s VAL 255 Ca 0.02 -1.24 -0.22 0.00 -1.81 0.00 0.00 61.98 58.73 3h2a s VAL 255 Cb -0.22 -1.07 -0.28 0.00 0.56 0.00 0.00 36.38 35.38 3h2a s VAL 255 CO 0.03 -0.17 0.72 0.45 -0.31 0.00 0.00 175.10 175.83 3h2a h HIS 256 N 4.44 0.32 -0.93 2.82 3.86 -1.88 -1.50 115.15 122.28 3h2a h HIS 256 Ca -0.40 -0.24 -0.71 0.00 -1.16 0.00 0.00 60.37 57.86 3h2a h HIS 256 Cb 1.19 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.55 3h2a h HIS 256 CO 0.61 1.30 2.30 -0.25 0.86 0.00 0.00 177.93 182.74 3h2a n ASP 257 N -4.24 4.70 -0.01 2.45 9.92 -1.26 -4.74 116.55 123.37 3h2a n ASP 257 Ca -0.17 -2.94 -0.11 0.00 -0.53 0.00 0.00 54.79 51.04 3h2a n ASP 257 Cb 0.73 -1.64 -0.05 0.00 -0.64 0.00 0.00 41.12 39.52 3h2a n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2a h VAL 258 N 4.62 1.04 -0.13 2.53 2.07 -1.92 -1.40 116.25 123.06 3h2a h VAL 258 Ca 0.45 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.93 3h2a h VAL 258 Cb 0.76 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3h2a h VAL 258 CO 1.58 0.04 -0.21 0.50 0.02 0.00 0.00 177.57 179.50 3h2a h LYS 259 N 0.15 -0.25 -0.38 1.57 3.64 -1.88 0.60 116.57 120.01 3h2a h LYS 259 Ca 0.04 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3h2a h LYS 259 Cb -0.00 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3h2a h LYS 259 CO -0.01 -0.17 -0.02 0.93 -2.27 0.00 0.00 179.45 177.91 3h2a h GLU 260 N -0.26 0.69 0.00 1.90 3.07 -1.86 -2.80 114.58 115.32 3h2a h GLU 260 Ca 0.10 -0.23 -0.12 0.00 -0.50 0.00 0.00 59.36 58.61 3h2a h GLU 260 Cb 0.41 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 3h2a h GLU 260 CO -0.28 0.80 -0.58 0.52 -1.40 0.00 0.00 179.01 178.07 3h2a h MET 261 N 0.51 0.00 -0.50 2.33 2.86 -1.03 -1.28 114.93 117.83 3h2a h MET 261 Ca 0.11 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 3h2a h MET 261 Cb 0.50 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3h2a h MET 261 CO 0.02 0.58 -0.13 0.77 1.06 0.00 0.00 176.91 179.22 3h2a h SER 262 N 0.00 0.94 -0.24 1.22 0.02 -0.85 0.16 113.55 114.79 3h2a h SER 262 Ca -0.01 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 3h2a h SER 262 Cb 1.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3h2a h SER 262 CO 0.08 1.07 -0.40 0.03 -1.14 0.00 0.00 176.83 176.46 3h2a h ARG 263 N 0.83 0.79 -0.17 3.45 3.08 -1.17 -0.74 114.38 120.45 3h2a h ARG 263 Ca 0.13 -0.42 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 3h2a h ARG 263 Cb 0.67 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3h2a h ARG 263 CO 0.05 1.05 -0.09 0.52 -1.07 0.00 0.00 179.97 180.43 3h2a h MET 264 N 0.64 0.37 -0.44 0.04 2.86 -1.19 -2.44 114.93 114.78 3h2a h MET 264 Ca 0.05 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3h2a h MET 264 Cb 0.96 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 3h2a h MET 264 CO 0.09 0.68 0.19 0.00 1.06 0.00 0.00 176.91 178.93 3h2a h ALA 265 N 0.68 0.54 -0.75 6.32 0.00 -0.66 -1.32 119.26 124.07 3h2a h ALA 265 Ca 0.04 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h2a h ALA 265 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3h2a h ALA 265 CO 0.03 -0.18 0.49 -0.22 0.00 0.00 0.00 179.25 179.37 3h2a h LYS 266 N 0.39 0.84 0.10 0.00 3.64 -1.13 -0.23 116.57 120.18 3h2a h LYS 266 Ca 0.20 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.23 3h2a h LYS 266 Cb 0.14 -0.19 0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3h2a h LYS 266 CO -0.17 0.55 -1.20 1.98 -2.27 0.00 0.00 179.45 178.34 3h2a h MET 267 N 0.86 0.63 0.31 1.90 4.05 -0.98 -2.62 114.93 119.08 3h2a h MET 267 Ca 0.31 -0.82 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3h2a h MET 267 Cb 0.14 0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 3h2a h MET 267 CO -0.10 1.37 -0.43 0.52 0.23 0.00 0.00 176.91 178.50 3h2a h MET 268 N 0.28 -0.76 -0.99 0.39 2.86 -0.83 -1.90 114.93 113.97 3h2a h MET 268 Ca -0.18 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.67 3h2a h MET 268 Cb 1.88 0.17 -0.16 0.00 0.06 0.00 0.00 31.60 33.55 3h2a h MET 268 CO 0.23 -0.51 -0.38 -0.25 1.06 0.00 0.00 176.91 177.06 3h2a n ASP 269 N -5.50 -0.63 -0.31 1.22 10.43 -0.14 -0.20 116.55 121.42 3h2a n ASP 269 Ca -0.09 1.73 -0.03 0.00 2.57 0.00 0.00 54.79 58.96 3h2a n ASP 269 Cb 0.40 -0.40 0.09 0.00 1.84 0.00 0.00 41.12 43.05 3h2a n ASP 269 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h2a h ALA 270 N 1.39 1.08 -0.01 2.24 0.00 -1.13 -0.20 119.26 122.64 3h2a h ALA 270 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3h2a h ALA 270 Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h2a h ALA 270 CO -0.99 0.45 -0.04 0.52 0.00 0.00 0.00 179.25 179.20 3h2a h MET 271 N 1.12 0.04 0.00 0.00 2.86 -0.09 -3.21 114.93 115.65 3h2a h MET 271 Ca 0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3h2a h MET 271 Cb -0.10 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3h2a h MET 271 CO -0.08 0.65 0.00 0.44 1.06 0.00 0.00 176.91 178.98 3h2a n ILE 272 N -4.75 0.75 -0.74 -1.22 -5.35 0.72 -4.88 119.36 103.89 3h2a n ILE 272 Ca -0.09 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3h2a n ILE 272 Cb 0.33 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 3h2a n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2a n GLY 273 N 0.37 1.09 0.56 3.28 0.00 -0.57 -5.07 105.19 104.86 3h2a n GLY 273 Ca 0.04 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3h2a n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49