#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8a s LEU 3 N 0.00 4.39 -0.17 0.00 2.96 -1.26 -4.87 118.68 119.73 1a8a s LEU 3 Ca 0.00 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.90 1a8a s LEU 3 Cb 0.00 -2.90 0.05 0.00 0.50 0.00 0.00 46.19 43.84 1a8a s LEU 3 CO 0.00 0.08 0.43 -0.60 -1.32 0.00 0.00 176.35 174.94 1a8a s ARG 4 N -0.02 0.45 0.73 1.98 3.52 -0.98 -4.91 118.95 119.73 1a8a s ARG 4 Ca 0.31 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.55 1a8a s ARG 4 Cb -0.18 0.10 0.16 0.00 -1.56 0.00 0.00 34.95 33.48 1a8a s ARG 4 CO 0.16 -0.11 1.00 0.41 -0.81 0.00 0.00 175.30 175.95 1a8a n GLY 5 N 3.62 -0.40 0.00 8.12 0.00 -0.96 -0.64 105.19 114.93 1a8a n GLY 5 Ca -0.19 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.03 1a8a n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8a n THR 6 N -3.12 0.00 -4.44 2.61 -2.24 0.66 -4.41 114.28 103.34 1a8a n THR 6 Ca 0.14 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 1a8a n THR 6 Cb 0.50 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.43 1a8a n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a8a s VAL 7 N -2.31 3.51 0.41 2.28 1.01 -1.01 -5.03 120.40 119.26 1a8a s VAL 7 Ca 0.03 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1a8a s VAL 7 Cb 0.09 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1a8a s VAL 7 CO 0.51 0.49 0.08 -0.89 0.00 0.00 0.00 175.10 175.29 1a8a s THR 8 N 0.57 0.90 0.19 3.92 2.01 -1.26 -4.62 115.64 117.36 1a8a s THR 8 Ca -0.05 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 59.65 1a8a s THR 8 Cb -0.15 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.82 1a8a s THR 8 CO 0.03 0.00 1.38 -1.81 -0.69 0.00 0.00 174.62 173.53 1a8a s ASP 9 N -3.63 6.79 0.23 3.53 1.01 -1.26 -3.09 116.67 120.24 1a8a s ASP 9 Ca 0.24 2.48 -0.30 0.00 0.71 0.00 0.00 52.55 55.69 1a8a s ASP 9 Cb 0.04 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1a8a s ASP 9 CO 0.13 -0.63 1.07 0.12 0.21 0.00 0.00 175.17 176.07 1a8a s PHE 10 N 0.35 3.66 0.13 4.23 5.36 -1.26 -4.94 117.98 125.52 1a8a s PHE 10 Ca 0.60 1.70 -0.26 0.00 -0.96 0.00 0.00 56.93 58.02 1a8a s PHE 10 Cb -0.39 -3.22 -0.07 0.00 -0.34 0.00 0.00 43.02 39.00 1a8a s PHE 10 CO 0.38 -0.37 0.79 -1.12 -1.46 0.00 0.00 175.22 173.43 1a8a s SER 11 N -0.59 7.36 -0.56 6.13 0.01 -1.26 -3.94 113.70 120.84 1a8a s SER 11 Ca 0.46 1.61 -0.01 0.00 1.31 0.00 0.00 55.95 59.31 1a8a s SER 11 Cb -0.30 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1a8a s SER 11 CO 0.37 0.14 0.48 0.61 0.41 0.00 0.00 173.24 175.25 1a8a n GLY 12 N 1.83 0.16 3.76 3.44 0.00 -1.26 -5.01 105.19 108.11 1a8a n GLY 12 Ca -0.04 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1a8a n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a8a s PHE 13 N -3.15 3.93 -0.26 1.61 5.36 -1.25 -5.02 117.98 119.19 1a8a s PHE 13 Ca 0.10 1.88 -0.04 0.00 -0.96 0.00 0.00 56.93 57.91 1a8a s PHE 13 Cb -0.04 -2.95 0.09 0.00 -0.34 0.00 0.00 43.02 39.77 1a8a s PHE 13 CO 0.33 0.42 0.11 0.34 -1.46 0.00 0.00 175.22 174.96 1a8a s ASP 14 N -1.26 3.33 0.30 6.13 -1.08 -1.26 -5.02 116.67 117.82 1a8a s ASP 14 Ca 0.42 -1.17 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 1a8a s ASP 14 Cb -0.24 -0.42 0.71 0.00 -1.46 0.00 0.00 42.92 41.50 1a8a s ASP 14 CO 0.30 -0.41 1.79 1.23 0.52 0.00 0.00 175.17 178.61 1a8a h GLY 15 N 8.35 1.71 1.05 2.66 0.00 -1.95 -2.60 103.07 112.29 1a8a h GLY 15 Ca -0.18 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 46.60 1a8a h GLY 15 CO 0.41 -0.01 -0.61 3.21 0.00 0.00 0.00 176.54 179.54 1a8a h ARG 16 N 0.81 0.70 -0.82 4.80 3.08 -1.94 -1.79 114.38 119.21 1a8a h ARG 16 Ca 0.56 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1a8a h ARG 16 Cb 0.81 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 1a8a h ARG 16 CO -0.34 1.16 0.52 0.00 -1.07 0.00 0.00 179.97 180.23 1a8a h ALA 17 N 0.55 1.05 -0.01 0.04 0.00 -1.93 -2.65 119.26 116.31 1a8a h ALA 17 Ca -0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1a8a h ALA 17 Cb 1.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1a8a h ALA 17 CO 0.13 0.49 -0.69 -0.44 0.00 0.00 0.00 179.25 178.74 1a8a h ASP 18 N 1.13 0.06 0.26 0.00 3.32 -1.09 -1.12 116.42 118.97 1a8a h ASP 18 Ca 0.30 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1a8a h ASP 18 Cb -0.08 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1a8a h ASP 18 CO -0.06 0.73 -0.39 0.00 -1.72 0.00 0.00 179.24 177.80 1a8a h ALA 19 N 1.27 1.18 -0.40 3.45 0.00 -1.25 -0.40 119.26 123.12 1a8a h ALA 19 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1a8a h ALA 19 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1a8a h ALA 19 CO 0.09 0.56 -0.34 0.93 0.00 0.00 0.00 179.25 180.49 1a8a h GLU 20 N 0.16 0.93 -0.73 0.00 5.08 -0.89 0.17 114.58 119.30 1a8a h GLU 20 Ca 0.02 -0.47 0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1a8a h GLU 20 Cb 0.76 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1a8a h GLU 20 CO 0.06 1.13 0.44 0.28 -1.00 0.00 0.00 179.01 179.91 1a8a h VAL 21 N 0.75 1.02 -0.25 3.13 2.07 -0.92 -0.85 116.25 121.20 1a8a h VAL 21 Ca 0.07 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 1a8a h VAL 21 Cb 0.93 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1a8a h VAL 21 CO 0.09 0.15 -0.42 -0.07 0.02 0.00 0.00 177.57 177.33 1a8a h LEU 22 N 0.81 0.65 -0.40 2.57 3.38 -0.58 -1.50 115.31 120.24 1a8a h LEU 22 Ca 0.32 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1a8a h LEU 22 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a8a h LEU 22 CO -0.16 0.99 0.18 -0.09 0.09 0.00 0.00 178.44 179.45 1a8a h ARG 23 N 0.49 0.58 -0.81 1.13 9.65 0.10 -2.66 114.38 122.87 1a8a h ARG 23 Ca 0.04 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1a8a h ARG 23 Cb 0.94 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 1a8a h ARG 23 CO 0.08 0.52 0.38 0.87 2.80 0.00 0.00 179.97 184.62 1a8a h LYS 24 N 0.50 1.17 0.00 0.20 1.57 -1.16 -0.57 116.57 118.28 1a8a h LYS 24 Ca 0.14 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1a8a h LYS 24 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1a8a h LYS 24 CO -0.02 0.90 0.00 0.00 -0.57 0.00 0.00 179.45 179.77 1a8a n ALA 25 N -2.43 1.34 0.00 3.86 0.00 -0.57 -3.47 120.51 119.24 1a8a n ALA 25 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1a8a n ALA 25 Cb 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1a8a n ALA 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a8a n MET 26 N -1.47 2.67 -1.68 0.00 2.81 -1.12 -0.49 117.12 117.83 1a8a n MET 26 Ca 0.02 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 1a8a n MET 26 Cb 0.07 -0.84 -0.01 0.00 -0.71 0.00 0.00 33.22 31.73 1a8a n MET 26 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a8a n LYS 27 N -1.49 2.08 0.00 0.03 4.81 -0.24 -4.74 118.16 118.61 1a8a n LYS 27 Ca 0.00 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1a8a n LYS 27 Cb 0.32 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1a8a n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a8a n GLY 28 N 1.31 -3.35 3.77 3.14 0.00 -1.26 -4.84 105.19 103.95 1a8a n GLY 28 Ca 0.07 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1a8a n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8a s LEU 29 N 0.00 4.32 0.00 0.99 1.43 -1.26 -4.78 118.68 119.38 1a8a s LEU 29 Ca 0.00 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1a8a s LEU 29 Cb 0.00 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1a8a s LEU 29 CO 0.00 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1a8a n GLY 30 N 0.75 -0.95 3.19 -3.19 0.00 -1.26 -5.02 105.19 98.71 1a8a n GLY 30 Ca 0.02 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 1a8a n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8a s THR 31 N -1.88 -0.03 -1.22 2.61 2.01 -1.26 -4.71 115.64 111.17 1a8a s THR 31 Ca 0.00 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1a8a s THR 31 Cb 0.00 -0.51 0.19 0.00 0.01 0.00 0.00 72.50 72.19 1a8a s THR 31 CO 0.00 0.04 1.55 -0.67 -0.69 0.00 0.00 174.62 174.85 1a8a n ASP 32 N 4.04 5.29 0.02 3.53 2.03 0.35 -4.86 116.55 126.95 1a8a n ASP 32 Ca -0.22 -3.05 0.21 0.00 0.52 0.00 0.00 54.79 52.24 1a8a n ASP 32 Cb 0.55 -1.50 0.72 0.00 -0.72 0.00 0.00 41.12 40.16 1a8a n ASP 32 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1a8a h GLU 33 N 6.54 0.00 -0.38 -0.67 3.07 -1.99 -0.04 114.58 121.11 1a8a h GLU 33 Ca 0.32 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.06 1a8a h GLU 33 Cb 0.78 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1a8a h GLU 33 CO 1.35 0.00 -0.24 0.22 -1.40 0.00 0.00 179.01 178.94 1a8a h ASP 34 N 0.00 0.79 0.61 1.42 1.82 -1.97 -2.34 116.42 116.75 1a8a h ASP 34 Ca 0.25 -0.29 -0.12 0.00 -0.39 0.00 0.00 57.03 56.47 1a8a h ASP 34 Cb 1.07 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 1a8a h ASP 34 CO -0.00 1.00 -0.59 0.28 -1.61 0.00 0.00 179.24 178.31 1a8a h SER 35 N 0.67 0.00 0.64 2.28 0.02 -1.39 -2.40 113.55 113.37 1a8a h SER 35 Ca 0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1a8a h SER 35 Cb 0.75 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1a8a h SER 35 CO 0.06 0.59 -0.31 0.40 -1.14 0.00 0.00 176.83 176.43 1a8a h ILE 36 N 0.00 0.30 0.01 3.27 2.04 -1.55 -1.68 117.51 119.90 1a8a h ILE 36 Ca -0.01 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1a8a h ILE 36 Cb 1.06 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1a8a h ILE 36 CO 0.08 0.02 -0.01 0.25 0.00 0.00 0.00 178.15 178.49 1a8a h LEU 37 N -1.01 -0.01 -1.32 1.44 6.46 -1.46 0.00 115.31 119.41 1a8a h LEU 37 Ca -0.09 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1a8a h LEU 37 Cb 0.70 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1a8a h LEU 37 CO 0.14 0.00 -0.05 0.78 -0.62 0.00 0.00 178.44 178.70 1a8a h ASN 38 N -0.03 0.37 0.00 1.25 2.35 -1.51 -2.46 115.58 115.55 1a8a h ASN 38 Ca -0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1a8a h ASN 38 Cb 0.03 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1a8a h ASN 38 CO 0.00 0.47 -0.00 0.25 -1.65 0.00 0.00 177.43 176.51 1a8a h LEU 39 N 0.38 -0.00 -0.66 1.61 6.46 -0.79 -3.32 115.31 118.98 1a8a h LEU 39 Ca 0.08 -0.99 -0.03 0.00 -0.12 0.00 0.00 57.88 56.83 1a8a h LEU 39 Cb 0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1a8a h LEU 39 CO 0.01 0.99 0.31 -0.07 -0.62 0.00 0.00 178.44 179.06 1a8a h LEU 40 N -0.99 0.88 0.00 2.25 3.38 -1.02 -1.38 115.31 118.42 1a8a h LEU 40 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1a8a h LEU 40 Cb 0.99 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1a8a h LEU 40 CO 0.00 0.78 0.00 0.35 0.09 0.00 0.00 178.44 179.66 1a8a n THR 41 N -4.45 0.91 -0.55 0.22 -2.24 -0.93 -1.88 114.28 105.36 1a8a n THR 41 Ca 0.05 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1a8a n THR 41 Cb 0.14 -1.00 0.29 0.00 -2.10 0.00 0.00 70.33 67.66 1a8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8a n ALA 42 N -1.41 2.79 -2.41 6.98 0.00 -0.53 -4.86 120.51 121.07 1a8a n ALA 42 Ca 0.04 -1.57 -0.28 0.00 0.00 0.00 0.00 53.44 51.63 1a8a n ALA 42 Cb 0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1a8a n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a8a s ARG 43 N -1.71 1.61 0.88 0.00 1.81 -0.79 -4.40 118.95 116.36 1a8a s ARG 43 Ca 0.43 -1.04 -0.12 0.00 -1.72 0.00 0.00 55.73 53.29 1a8a s ARG 43 Cb 0.28 -1.77 0.12 0.00 -0.45 0.00 0.00 34.95 33.13 1a8a s ARG 43 CO 0.21 0.45 1.10 -1.54 -0.68 0.00 0.00 175.30 174.84 1a8a s SER 44 N -1.23 3.67 0.36 0.23 1.04 -1.18 -4.78 113.70 111.81 1a8a s SER 44 Ca 0.10 1.34 0.08 0.00 0.48 0.00 0.00 55.95 57.95 1a8a s SER 44 Cb -0.09 -2.02 0.81 0.00 0.10 0.00 0.00 66.02 64.81 1a8a s SER 44 CO 0.02 -2.50 1.90 -1.13 0.98 0.00 0.00 173.24 172.52 1a8a h ASN 45 N -1.45 0.64 -0.46 7.02 -0.73 -1.92 -0.54 115.58 118.15 1a8a h ASN 45 Ca -0.49 0.03 -0.13 0.00 1.87 0.00 0.00 56.30 57.57 1a8a h ASN 45 Cb 1.29 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 1a8a h ASN 45 CO 0.57 0.36 -0.22 0.00 -0.37 0.00 0.00 177.43 177.76 1a8a h ALA 46 N 1.60 0.64 -0.07 1.57 0.00 -1.97 -2.76 119.26 118.27 1a8a h ALA 46 Ca 0.40 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a8a h ALA 46 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1a8a h ALA 46 CO -0.16 0.63 -0.05 1.96 0.00 0.00 0.00 179.25 181.63 1a8a h GLN 47 N 0.80 -0.05 -0.70 0.00 4.20 -1.56 -1.47 115.11 116.34 1a8a h GLN 47 Ca 0.10 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.99 1a8a h GLN 47 Cb 0.80 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1a8a h GLN 47 CO 0.07 -0.03 0.49 0.00 -0.67 0.00 0.00 178.83 178.68 1a8a h ARG 48 N -0.05 0.14 -0.14 1.46 3.08 -0.98 0.10 114.38 118.00 1a8a h ARG 48 Ca 0.04 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 1a8a h ARG 48 Cb 0.12 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.14 1a8a h ARG 48 CO -0.10 0.09 -0.81 1.96 -1.07 0.00 0.00 179.97 180.05 1a8a h GLN 49 N 0.15 0.77 -0.40 0.04 1.08 -1.01 -1.11 115.11 114.63 1a8a h GLN 49 Ca 0.34 -0.65 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1a8a h GLN 49 Cb 1.13 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 1a8a h GLN 49 CO -0.05 1.25 0.21 1.96 -0.95 0.00 0.00 178.83 181.25 1a8a h GLN 50 N 0.52 0.57 -0.37 1.46 4.20 -0.06 -1.84 115.11 119.59 1a8a h GLN 50 Ca -0.06 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.62 1a8a h GLN 50 Cb 1.44 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1a8a h GLN 50 CO 0.16 0.48 0.12 0.82 -0.67 0.00 0.00 178.83 179.75 1a8a h ILE 51 N 0.51 0.89 -0.27 2.54 2.04 -1.06 -1.09 117.51 121.07 1a8a h ILE 51 Ca 0.14 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1a8a h ILE 51 Cb 0.09 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1a8a h ILE 51 CO -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 178.16 1a8a h ALA 52 N 1.24 1.46 0.10 1.87 0.00 -0.80 0.00 119.26 123.13 1a8a h ALA 52 Ca 0.17 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1a8a h ALA 52 Cb 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a8a h ALA 52 CO -0.18 0.39 -1.25 1.05 0.00 0.00 0.00 179.25 179.26 1a8a h GLU 53 N 0.40 0.21 -0.73 0.00 -0.00 -0.88 -3.07 114.58 110.51 1a8a h GLU 53 Ca 0.09 -0.37 0.04 0.00 -0.00 0.00 0.00 59.36 59.12 1a8a h GLU 53 Cb 0.30 0.14 -0.05 0.00 -0.00 0.00 0.00 28.75 29.14 1a8a h GLU 53 CO 0.01 1.15 0.45 0.93 -0.00 0.00 0.00 179.01 181.55 1a8a h GLU 54 N 0.06 0.83 -0.19 1.06 4.39 -0.58 -0.77 114.58 119.37 1a8a h GLU 54 Ca -0.13 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1a8a h GLU 54 Cb 1.94 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 1a8a h GLU 54 CO 0.18 0.55 0.05 0.35 -1.16 0.00 0.00 179.01 178.98 1a8a h PHE 55 N 0.85 0.27 0.16 4.33 3.04 -1.08 -1.18 116.94 123.33 1a8a h PHE 55 Ca 0.31 -0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.95 1a8a h PHE 55 Cb 0.08 -0.09 0.03 0.00 2.56 0.00 0.00 35.95 38.53 1a8a h PHE 55 CO -0.05 0.24 -1.31 -0.22 -2.02 0.00 0.00 178.31 174.96 1a8a h LYS 56 N 0.27 0.51 -0.32 1.11 3.64 -1.10 -1.63 116.57 119.06 1a8a h LYS 56 Ca 0.07 -0.77 -0.13 0.00 -1.27 0.00 0.00 60.65 58.55 1a8a h LYS 56 Cb 0.11 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1a8a h LYS 56 CO -0.00 1.35 -0.30 1.79 -2.27 0.00 0.00 179.45 180.02 1a8a h THR 57 N 0.19 1.29 -0.30 1.00 1.35 -0.82 0.21 112.91 115.84 1a8a h THR 57 Ca -0.20 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.19 1a8a h THR 57 Cb 2.00 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.91 1a8a h THR 57 CO 0.24 0.47 0.14 -0.07 -0.25 0.00 0.00 175.52 176.05 1a8a h LEU 58 N 0.53 0.40 -0.22 3.87 3.38 -1.31 -3.38 115.31 118.58 1a8a h LEU 58 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a8a h LEU 58 Cb 0.87 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1a8a h LEU 58 CO 0.07 0.42 -0.08 0.49 0.09 0.00 0.00 178.44 179.44 1a8a n PHE 59 N -4.77 0.00 -2.40 1.13 3.72 -0.61 -5.00 117.46 109.53 1a8a n PHE 59 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1a8a n PHE 59 Cb 0.11 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1a8a n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a8a n GLY 60 N 0.86 -0.26 3.29 1.37 0.00 0.74 -4.99 105.19 106.21 1a8a n GLY 60 Ca 0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1a8a n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8a s ARG 61 N -4.90 1.14 -0.26 1.61 0.52 -1.26 -5.06 118.95 110.74 1a8a s ARG 61 Ca 0.05 -1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 53.91 1a8a s ARG 61 Cb -0.02 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1a8a s ARG 61 CO 0.06 0.30 0.32 0.34 0.02 0.00 0.00 175.30 176.33 1a8a s ASP 62 N -2.10 6.22 0.14 0.23 -1.08 -1.26 -4.06 116.67 114.76 1a8a s ASP 62 Ca 0.08 0.24 -0.17 0.00 -0.52 0.00 0.00 52.55 52.18 1a8a s ASP 62 Cb -0.09 -2.19 -0.01 0.00 -1.46 0.00 0.00 42.92 39.17 1a8a s ASP 62 CO 0.05 -0.12 1.80 0.25 0.52 0.00 0.00 175.17 177.67 1a8a h LEU 63 N 8.32 0.36 -0.66 -1.34 5.85 -1.94 -1.36 115.31 124.55 1a8a h LEU 63 Ca -0.33 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1a8a h LEU 63 Cb 1.17 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1a8a h LEU 63 CO 0.64 0.26 -0.60 0.58 -0.34 0.00 0.00 178.44 178.97 1a8a h VAL 64 N 0.43 1.39 -0.15 1.05 2.07 -1.95 -2.04 116.25 117.05 1a8a h VAL 64 Ca 0.12 -1.98 -0.15 0.00 0.82 0.00 0.00 66.70 65.52 1a8a h VAL 64 Cb -0.04 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1a8a h VAL 64 CO -0.03 0.58 -0.54 0.78 0.02 0.00 0.00 177.57 178.38 1a8a h ASN 65 N 0.17 0.48 -0.21 0.57 4.21 -1.84 -1.26 115.58 117.71 1a8a h ASN 65 Ca -0.01 -0.25 -0.10 0.00 1.21 0.00 0.00 56.30 57.15 1a8a h ASN 65 Cb 1.10 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1a8a h ASN 65 CO 0.09 0.93 -0.27 0.44 -1.29 0.00 0.00 177.43 177.33 1a8a h ASP 66 N 0.34 0.60 -0.78 5.81 3.32 -0.94 -2.33 116.42 122.43 1a8a h ASP 66 Ca 0.01 -0.50 0.10 0.00 0.02 0.00 0.00 57.03 56.66 1a8a h ASP 66 Cb 1.06 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 1a8a h ASP 66 CO 0.09 0.98 0.41 0.24 -1.72 0.00 0.00 179.24 179.25 1a8a h MET 67 N 0.23 0.66 -0.18 3.56 2.86 -1.35 -0.02 114.93 120.69 1a8a h MET 67 Ca 0.03 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1a8a h MET 67 Cb 0.84 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1a8a h MET 67 CO 0.06 0.44 0.12 0.87 1.06 0.00 0.00 176.91 179.46 1a8a h LYS 68 N 0.68 0.17 -0.00 1.72 1.57 -1.05 -0.28 116.57 119.38 1a8a h LYS 68 Ca 0.39 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.94 1a8a h LYS 68 Cb 0.42 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1a8a h LYS 68 CO -0.28 0.11 -0.85 0.77 -0.57 0.00 0.00 179.45 178.64 1a8a h SER 69 N 0.17 0.75 -0.05 0.86 0.02 -0.51 -3.36 113.55 111.43 1a8a h SER 69 Ca 0.07 -0.75 -0.11 0.00 -0.84 0.00 0.00 61.79 60.16 1a8a h SER 69 Cb 0.08 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.40 1a8a h SER 69 CO -0.01 1.40 -0.41 -0.33 -1.14 0.00 0.00 176.83 176.34 1a8a h GLU 70 N 0.18 0.36 -6.65 3.45 4.39 -0.80 -3.47 114.58 112.04 1a8a h GLU 70 Ca -0.11 -0.33 -0.46 0.00 0.34 0.00 0.00 59.36 58.81 1a8a h GLU 70 Cb 1.53 0.08 0.02 0.00 -0.10 0.00 0.00 28.75 30.28 1a8a h GLU 70 CO 0.17 0.98 -0.12 -0.51 -1.16 0.00 0.00 179.01 178.37 1a8a s LEU 71 N -8.57 3.72 0.14 1.33 1.43 -0.14 -4.97 118.68 111.62 1a8a s LEU 71 Ca -0.14 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1a8a s LEU 71 Cb 0.04 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1a8a s LEU 71 CO 0.79 -0.62 0.20 0.28 0.23 0.00 0.00 176.35 177.23 1a8a s THR 72 N -2.50 0.10 0.00 5.49 -1.32 -1.26 -4.84 115.64 111.31 1a8a s THR 72 Ca 0.47 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1a8a s THR 72 Cb -0.10 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1a8a s THR 72 CO 0.37 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1a8a n GLY 73 N -0.14 0.38 0.37 6.08 0.00 -1.26 -2.72 105.19 107.91 1a8a n GLY 73 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.09 1a8a n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8a h LYS 74 N 0.00 1.17 -0.80 1.61 1.79 -2.00 -1.31 116.57 117.02 1a8a h LYS 74 Ca 0.00 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1a8a h LYS 74 Cb 0.00 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 30.35 1a8a h LYS 74 CO 0.00 0.78 0.40 0.35 -1.08 0.00 0.00 179.45 179.90 1a8a h PHE 75 N 1.21 1.14 0.35 -1.35 3.57 -1.96 0.24 116.94 120.14 1a8a h PHE 75 Ca 0.37 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1a8a h PHE 75 Cb -0.01 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1a8a h PHE 75 CO -0.00 0.82 -0.27 1.49 -2.23 0.00 0.00 178.31 178.12 1a8a h GLU 76 N 1.13 -0.60 -0.95 1.11 4.81 -1.07 -1.26 114.58 117.76 1a8a h GLU 76 Ca 0.28 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.71 1a8a h GLU 76 Cb 0.09 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.51 1a8a h GLU 76 CO -0.04 -0.40 0.55 0.87 -0.73 0.00 0.00 179.01 179.26 1a8a h LYS 77 N -0.62 0.73 -0.39 1.92 1.57 -0.86 0.82 116.57 119.74 1a8a h LYS 77 Ca -0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1a8a h LYS 77 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1a8a h LYS 77 CO -0.00 0.48 -0.06 1.25 -0.57 0.00 0.00 179.45 180.55 1a8a h LEU 78 N 0.75 0.72 -0.52 2.94 5.85 -0.18 -2.29 115.31 122.58 1a8a h LEU 78 Ca 0.52 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1a8a h LEU 78 Cb 0.74 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1a8a h LEU 78 CO -0.36 0.89 -0.14 0.40 -0.34 0.00 0.00 178.44 178.89 1a8a h ILE 79 N 0.53 1.27 -0.28 4.05 1.08 0.07 -1.18 117.51 123.05 1a8a h ILE 79 Ca 0.10 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 1a8a h ILE 79 Cb 0.56 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1a8a h ILE 79 CO 0.03 0.46 0.12 0.58 -0.69 0.00 0.00 178.15 178.65 1a8a h VAL 80 N 0.88 1.17 -0.51 1.67 2.07 -0.95 -2.36 116.25 118.21 1a8a h VAL 80 Ca 0.13 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1a8a h VAL 80 Cb 0.72 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1a8a h VAL 80 CO 0.06 0.17 0.26 0.00 0.02 0.00 0.00 177.57 178.08 1a8a h ALA 81 N 0.96 0.66 0.00 1.67 0.00 -1.22 -1.90 119.26 119.43 1a8a h ALA 81 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a8a h ALA 81 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a8a h ALA 81 CO -0.01 -0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.05 1a8a h LEU 82 N 0.51 0.00 0.00 0.00 -0.00 -1.11 -2.68 115.31 112.03 1a8a h LEU 82 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.05 1a8a h LEU 82 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1a8a h LEU 82 CO -0.16 0.03 -0.80 0.24 -0.00 0.00 0.00 178.44 177.75 1a8a h MET 83 N 0.00 0.00 -6.53 1.13 2.86 -0.81 -3.47 114.93 108.12 1a8a h MET 83 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1a8a h MET 83 Cb 0.13 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.84 1a8a h MET 83 CO 0.00 0.14 0.89 1.63 1.06 0.00 0.00 176.91 180.63 1a8a n LYS 84 N -2.90 2.34 -1.65 1.72 4.76 -0.97 -4.89 118.16 116.57 1a8a n LYS 84 Ca -0.01 0.85 -0.43 0.00 -2.87 0.00 0.00 58.31 55.84 1a8a n LYS 84 Cb 0.64 -2.65 -0.01 0.00 -1.84 0.00 0.00 35.03 31.17 1a8a n LYS 84 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1a8a n PRO 85 N 3.91 1.78 0.11 1.97 -0.02 -1.26 -4.75 135.00 136.74 1a8a n PRO 85 Ca 0.17 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 1a8a n PRO 85 Cb 0.31 -2.13 0.55 0.00 -0.02 0.00 0.00 33.50 32.20 1a8a n PRO 85 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a8a h SER 86 N 2.26 0.22 -0.44 2.55 4.64 -1.90 -0.65 113.55 120.22 1a8a h SER 86 Ca -0.44 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1a8a h SER 86 Cb 1.31 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1a8a h SER 86 CO 0.61 0.15 0.30 0.03 -0.87 0.00 0.00 176.83 177.06 1a8a h ARG 87 N 0.25 0.23 0.00 4.77 3.08 -2.02 -3.13 114.38 117.55 1a8a h ARG 87 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1a8a h ARG 87 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a8a h ARG 87 CO -0.02 0.15 -1.40 1.28 -1.07 0.00 0.00 179.97 178.92 1a8a n LEU 88 N -4.46 0.43 -0.22 3.04 4.77 -0.29 -4.75 117.00 115.52 1a8a n LEU 88 Ca 0.06 -0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 55.74 1a8a n LEU 88 Cb 0.34 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1a8a n LEU 88 CO 0.35 0.11 1.05 0.22 -1.33 0.00 0.00 177.39 177.79 1a8a h TYR 89 N 0.00 0.88 -0.19 -1.77 3.20 -1.40 0.28 116.97 117.97 1a8a h TYR 89 Ca 0.00 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 1a8a h TYR 89 Cb 0.67 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1a8a h TYR 89 CO 0.00 0.65 -0.35 -0.44 -1.64 0.00 0.00 178.16 176.38 1a8a h ASP 90 N 0.86 0.43 -0.77 -2.11 3.32 -1.86 -0.69 116.42 115.60 1a8a h ASP 90 Ca 0.22 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1a8a h ASP 90 Cb 0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1a8a h ASP 90 CO -0.03 0.75 0.26 0.00 -1.72 0.00 0.00 179.24 178.50 1a8a h ALA 91 N 1.27 1.00 0.22 3.45 0.00 -1.72 -1.32 119.26 122.16 1a8a h ALA 91 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a8a h ALA 91 Cb 0.79 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a8a h ALA 91 CO 0.06 0.67 -0.17 -0.92 0.00 0.00 0.00 179.25 178.90 1a8a h TYR 92 N 1.13 -0.44 -0.71 0.00 3.20 -0.57 -1.10 116.97 118.49 1a8a h TYR 92 Ca 0.25 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1a8a h TYR 92 Cb 0.29 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1a8a h TYR 92 CO 0.02 -0.26 0.28 0.93 -1.64 0.00 0.00 178.16 177.49 1a8a h GLU 93 N -0.39 1.07 -0.42 1.82 4.39 -0.98 -0.98 114.58 119.09 1a8a h GLU 93 Ca -0.01 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 1a8a h GLU 93 Cb 0.35 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1a8a h GLU 93 CO -0.01 0.88 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.44 1a8a h LEU 94 N 1.02 0.93 -0.69 1.33 3.38 -1.16 -1.87 115.31 118.26 1a8a h LEU 94 Ca 0.24 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1a8a h LEU 94 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1a8a h LEU 94 CO -0.02 1.13 0.44 0.50 0.09 0.00 0.00 178.44 180.59 1a8a h LYS 95 N 0.72 0.86 0.00 1.13 1.63 -1.06 0.66 116.57 120.52 1a8a h LYS 95 Ca 0.09 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1a8a h LYS 95 Cb 0.79 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1a8a h LYS 95 CO 0.07 0.57 0.00 0.45 -3.45 0.00 0.00 179.45 177.09 1a8a h HIS 96 N 0.89 0.00 0.05 1.91 3.86 -1.09 0.11 115.15 120.88 1a8a h HIS 96 Ca 0.26 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.23 1a8a h HIS 96 Cb -0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1a8a h HIS 96 CO -0.03 0.00 -1.04 0.00 0.86 0.00 0.00 177.93 177.72 1a8a h ALA 97 N 2.10 0.29 0.00 2.45 0.00 -0.22 -3.25 119.26 120.63 1a8a h ALA 97 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1a8a h ALA 97 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a8a h ALA 97 CO 0.00 0.88 -0.31 1.28 0.00 0.00 0.00 179.25 181.10 1a8a n LEU 98 N -3.66 0.77 -4.52 0.00 4.77 0.05 -1.89 117.00 112.52 1a8a n LEU 98 Ca -0.07 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 56.02 1a8a n LEU 98 Cb 0.90 -0.25 0.23 0.00 -2.33 0.00 0.00 43.42 41.97 1a8a n LEU 98 CO 0.52 -0.12 0.51 1.17 -1.33 0.00 0.00 177.39 178.13 1a8a n LYS 99 N -2.20 -1.86 0.00 3.23 3.00 0.32 -4.80 118.16 115.85 1a8a n LYS 99 Ca 0.04 -0.50 0.00 0.00 -0.00 0.00 0.00 58.31 57.85 1a8a n LYS 99 Cb 0.44 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.26 1a8a n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a8a n GLY 100 N 0.85 -0.65 0.00 3.14 0.00 -1.26 -4.43 105.19 102.84 1a8a n GLY 100 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1a8a n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8a n ALA 101 N 0.65 -0.21 -1.00 4.61 0.00 -1.26 -4.86 120.51 118.44 1a8a n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a8a n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a8a n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8a n GLY 102 N -0.04 -1.34 3.61 0.00 0.00 -1.26 -5.08 105.19 101.07 1a8a n GLY 102 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1a8a n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8a s THR 103 N 0.00 0.00 -0.71 2.61 2.01 -1.26 -4.69 115.64 113.60 1a8a s THR 103 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1a8a s THR 103 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1a8a s THR 103 CO 0.00 0.00 0.71 -0.62 -0.69 0.00 0.00 174.62 174.02 1a8a s ASP 104 N -0.10 6.47 0.38 3.53 -1.08 -0.79 -4.93 116.67 120.15 1a8a s ASP 104 Ca -0.01 -2.14 0.14 0.00 -0.52 0.00 0.00 52.55 50.02 1a8a s ASP 104 Cb -0.04 -2.24 0.77 0.00 -1.46 0.00 0.00 42.92 39.95 1a8a s ASP 104 CO -0.00 -0.80 1.84 -0.33 0.52 0.00 0.00 175.17 176.40 1a8a h GLU 105 N 8.46 0.00 -0.43 4.34 3.07 -1.99 -2.63 114.58 125.40 1a8a h GLU 105 Ca -0.08 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.86 1a8a h GLU 105 Cb 1.07 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.88 1a8a h GLU 105 CO 0.93 0.35 -0.21 0.87 -1.40 0.00 0.00 179.01 179.56 1a8a h LYS 106 N 0.00 -0.12 -0.09 2.33 1.57 -1.99 0.33 116.57 118.61 1a8a h LYS 106 Ca -0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1a8a h LYS 106 Cb 0.64 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1a8a h LYS 106 CO 0.05 -0.08 -0.10 0.28 -0.57 0.00 0.00 179.45 179.02 1a8a h VAL 107 N -0.12 1.38 -0.08 0.50 2.07 -1.90 -0.28 116.25 117.82 1a8a h VAL 107 Ca 0.21 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1a8a h VAL 107 Cb 0.45 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1a8a h VAL 107 CO -0.51 0.37 -0.18 -0.07 0.02 0.00 0.00 177.57 177.20 1a8a h LEU 108 N -0.21 -0.53 0.38 2.57 3.38 -1.26 -1.63 115.31 118.00 1a8a h LEU 108 Ca 0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1a8a h LEU 108 Cb 0.64 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1a8a h LEU 108 CO 0.02 -0.23 -0.29 0.74 0.09 0.00 0.00 178.44 178.77 1a8a h THR 109 N -0.25 0.39 -0.34 0.22 2.02 -0.91 -0.72 112.91 113.33 1a8a h THR 109 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1a8a h THR 109 Cb 0.36 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1a8a h THR 109 CO -0.22 0.00 -0.16 -0.08 0.37 0.00 0.00 175.52 175.43 1a8a h GLU 110 N -0.67 -0.09 0.04 6.66 4.81 -0.98 0.11 114.58 124.46 1a8a h GLU 110 Ca -0.03 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 1a8a h GLU 110 Cb 0.58 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.00 1a8a h GLU 110 CO -0.00 -0.06 -0.75 0.82 -0.73 0.00 0.00 179.01 178.29 1a8a h ILE 111 N -0.10 1.42 -0.22 2.32 2.04 -1.30 -2.92 117.51 118.75 1a8a h ILE 111 Ca 0.17 -2.23 -0.12 0.00 1.00 0.00 0.00 64.86 63.68 1a8a h ILE 111 Cb 0.36 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1a8a h ILE 111 CO -0.40 0.65 -0.37 0.40 0.00 0.00 0.00 178.15 178.43 1a8a h ILE 112 N -0.09 1.30 -0.20 -0.67 2.04 -1.11 -1.53 117.51 117.25 1a8a h ILE 112 Ca -0.11 -1.50 -0.20 0.00 1.00 0.00 0.00 64.86 64.05 1a8a h ILE 112 Cb 1.48 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1a8a h ILE 112 CO 0.15 0.47 -0.67 0.00 0.00 0.00 0.00 178.15 178.09 1a8a h ALA 113 N 1.19 0.42 -0.00 1.87 0.00 -1.08 -3.30 119.26 118.36 1a8a h ALA 113 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a8a h ALA 113 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a8a h ALA 113 CO 0.07 0.69 -0.51 -1.13 0.00 0.00 0.00 179.25 178.37 1a8a n SER 114 N -3.96 0.53 -4.77 0.00 3.41 -1.10 -4.76 113.62 102.97 1a8a n SER 114 Ca -0.06 -0.29 -0.39 0.00 -0.26 0.00 0.00 58.87 57.87 1a8a n SER 114 Cb 0.69 0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 1a8a n SER 114 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a8a s ARG 115 N -2.99 4.43 0.80 4.33 3.00 -0.58 -4.99 118.95 122.95 1a8a s ARG 115 Ca 0.11 0.97 -0.11 0.00 0.00 0.00 0.00 55.73 56.71 1a8a s ARG 115 Cb 0.18 -3.30 0.07 0.00 0.00 0.00 0.00 34.95 31.89 1a8a s ARG 115 CO 0.70 0.46 1.09 0.95 0.00 0.00 0.00 175.30 178.50 1a8a s THR 116 N -0.61 3.16 0.18 0.02 -4.23 -1.26 -4.75 115.64 108.16 1a8a s THR 116 Ca 0.34 0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 61.08 1a8a s THR 116 Cb -0.21 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 70.96 1a8a s THR 116 CO 0.22 -0.49 1.65 -0.65 -0.54 0.00 0.00 174.62 174.81 1a8a h PRO 117 N -1.23 -0.00 -0.91 3.99 0.11 -1.95 -0.57 132.00 131.44 1a8a h PRO 117 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1a8a h PRO 117 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1a8a h PRO 117 CO 0.51 -0.00 0.59 0.93 -0.21 0.00 0.00 178.00 179.82 1a8a h GLU 118 N -0.00 1.08 -0.30 1.05 5.08 -1.93 -1.32 114.58 118.24 1a8a h GLU 118 Ca 0.24 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1a8a h GLU 118 Cb 0.36 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1a8a h GLU 118 CO -0.51 0.71 -0.28 0.93 -1.00 0.00 0.00 179.01 178.86 1a8a h GLU 119 N 1.11 0.62 -0.50 2.33 5.08 -1.64 -2.72 114.58 118.86 1a8a h GLU 119 Ca 0.37 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1a8a h GLU 119 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1a8a h GLU 119 CO -0.12 0.83 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.60 1a8a h LEU 120 N 0.53 0.85 -0.12 1.33 3.38 -0.45 0.08 115.31 120.92 1a8a h LEU 120 Ca 0.07 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 1a8a h LEU 120 Cb 0.75 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1a8a h LEU 120 CO 0.06 0.95 -0.62 0.08 0.09 0.00 0.00 178.44 179.00 1a8a h ARG 121 N 0.80 0.63 -0.40 1.13 0.11 -1.23 -1.89 114.38 113.53 1a8a h ARG 121 Ca 0.14 -0.52 0.07 0.00 0.10 0.00 0.00 59.98 59.78 1a8a h ARG 121 Cb 0.55 0.11 -0.09 0.00 1.11 0.00 0.00 29.97 31.64 1a8a h ARG 121 CO 0.03 1.14 -0.39 0.00 0.10 0.00 0.00 179.97 180.85 1a8a h ALA 122 N 0.50 -0.35 -0.37 0.08 0.00 -1.43 -1.62 119.26 116.07 1a8a h ALA 122 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a8a h ALA 122 Cb 1.26 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1a8a h ALA 122 CO 0.13 -0.82 0.26 0.82 0.00 0.00 0.00 179.25 179.64 1a8a h ILE 123 N -0.31 0.89 0.02 0.00 2.04 -0.88 -1.47 117.51 117.80 1a8a h ILE 123 Ca 0.15 -0.05 -0.23 0.00 1.00 0.00 0.00 64.86 65.72 1a8a h ILE 123 Cb 0.57 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1a8a h ILE 123 CO -0.56 0.03 -0.98 0.11 0.00 0.00 0.00 178.15 176.75 1a8a h LYS 124 N 0.16 0.40 0.77 2.37 1.57 -0.46 -1.66 116.57 119.72 1a8a h LYS 124 Ca 0.17 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1a8a h LYS 124 Cb 0.48 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1a8a h LYS 124 CO -0.02 1.12 -0.37 0.37 -0.57 0.00 0.00 179.45 179.98 1a8a h GLN 125 N 0.21 -1.00 -0.67 3.15 4.15 -1.16 -2.54 115.11 117.24 1a8a h GLN 125 Ca -0.09 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.45 1a8a h GLN 125 Cb 1.63 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.51 1a8a h GLN 125 CO 0.17 -0.66 0.44 0.00 -1.93 0.00 0.00 178.83 176.85 1a8a h ALA 126 N -1.27 1.71 -0.49 3.38 0.00 -1.32 0.31 119.26 121.59 1a8a h ALA 126 Ca -0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1a8a h ALA 126 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1a8a h ALA 126 CO 0.17 0.20 -0.10 -0.92 0.00 0.00 0.00 179.25 178.60 1a8a h TYR 127 N 0.72 0.97 -0.11 0.00 5.03 -1.31 -2.03 116.97 120.24 1a8a h TYR 127 Ca 0.28 -0.18 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 1a8a h TYR 127 Cb 0.20 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 1a8a h TYR 127 CO -0.00 0.93 -0.17 1.49 -1.32 0.00 0.00 178.16 179.08 1a8a h GLU 128 N 0.80 0.31 -0.72 1.82 4.81 -0.51 -0.86 114.58 120.22 1a8a h GLU 128 Ca 0.13 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1a8a h GLU 128 Cb 0.61 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1a8a h GLU 128 CO 0.04 0.77 0.42 1.49 -0.73 0.00 0.00 179.01 180.99 1a8a h GLU 129 N -0.12 0.74 0.04 1.92 4.81 -1.39 0.27 114.58 120.86 1a8a h GLU 129 Ca 0.01 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1a8a h GLU 129 Cb 0.74 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1a8a h GLU 129 CO 0.04 0.49 -0.31 0.93 -0.73 0.00 0.00 179.01 179.43 1a8a h GLU 130 N 0.77 0.14 0.00 1.92 4.39 -1.31 -3.39 114.58 117.10 1a8a h GLU 130 Ca 0.32 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1a8a h GLU 130 Cb 0.17 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1a8a h GLU 130 CO -0.17 1.03 -0.96 0.66 -1.16 0.00 0.00 179.01 178.41 1a8a n TYR 131 N -4.44 0.00 -0.97 4.33 4.01 -0.34 -4.98 117.16 114.78 1a8a n TYR 131 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1a8a n TYR 131 Cb 0.58 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1a8a n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a8a n GLY 132 N 1.47 0.25 3.76 2.72 0.00 0.96 -4.99 105.19 109.36 1a8a n GLY 132 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1a8a n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8a s SER 133 N -2.05 5.15 -0.03 1.61 0.01 -1.25 -5.02 113.70 112.12 1a8a s SER 133 Ca 0.00 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1a8a s SER 133 Cb 0.00 -1.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 1a8a s SER 133 CO 0.00 -0.03 0.44 0.21 0.41 0.00 0.00 173.24 174.27 1a8a s ASN 134 N -3.78 6.79 0.06 2.44 3.84 -1.26 -3.94 114.94 119.09 1a8a s ASN 134 Ca 0.32 0.94 -0.23 0.00 0.21 0.00 0.00 52.86 54.11 1a8a s ASN 134 Cb -0.07 -2.27 -0.14 0.00 -0.55 0.00 0.00 41.25 38.22 1a8a s ASN 134 CO 0.23 0.23 1.54 0.25 -2.79 0.00 0.00 177.10 176.56 1a8a h LEU 135 N 5.27 0.12 -0.47 3.21 5.85 -1.93 -2.59 115.31 124.78 1a8a h LEU 135 Ca -0.48 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.08 1a8a h LEU 135 Cb 1.21 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1a8a h LEU 135 CO 0.66 0.32 0.14 -0.08 -0.34 0.00 0.00 178.44 179.14 1a8a h GLU 136 N -0.08 0.29 -0.25 1.25 4.81 -1.97 -0.63 114.58 118.01 1a8a h GLU 136 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a8a h GLU 136 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1a8a h GLU 136 CO 0.00 0.19 0.14 -0.44 -0.73 0.00 0.00 179.01 178.17 1a8a h ASP 137 N 0.30 0.30 0.23 1.04 5.19 -1.89 -1.49 116.42 120.10 1a8a h ASP 137 Ca 0.22 -0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 56.33 1a8a h ASP 137 Cb 0.25 -0.07 0.02 0.00 0.18 0.00 0.00 39.33 39.71 1a8a h ASP 137 CO -0.25 0.24 -1.21 0.44 -3.12 0.00 0.00 179.24 175.35 1a8a h ASP 138 N 0.35 0.77 0.45 6.45 3.32 -0.87 -2.21 116.42 124.67 1a8a h ASP 138 Ca 0.09 -0.71 -0.02 0.00 0.02 0.00 0.00 57.03 56.41 1a8a h ASP 138 Cb 0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1a8a h ASP 138 CO -0.02 1.52 -0.22 0.58 -1.72 0.00 0.00 179.24 179.39 1a8a h VAL 139 N 0.24 0.56 -0.94 -1.35 2.07 -0.47 -0.78 116.25 115.59 1a8a h VAL 139 Ca -0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1a8a h VAL 139 Cb 1.88 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 32.11 1a8a h VAL 139 CO 0.22 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.93 1a8a h VAL 140 N -0.60 0.73 -0.84 2.57 2.07 -1.39 -0.18 116.25 118.61 1a8a h VAL 140 Ca -0.06 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1a8a h VAL 140 Cb 0.46 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1a8a h VAL 140 CO 0.10 0.13 0.47 1.23 0.02 0.00 0.00 177.57 179.52 1a8a h GLY 141 N 0.72 1.25 0.64 2.17 0.00 -0.68 -3.16 103.07 104.01 1a8a h GLY 141 Ca 0.52 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1a8a h GLY 141 CO -0.37 0.53 -1.05 1.22 0.00 0.00 0.00 176.54 176.88 1a8a n ASP 142 N -4.35 0.61 -4.79 0.19 9.92 -0.38 -5.01 116.55 112.75 1a8a n ASP 142 Ca 0.09 -0.12 -0.34 0.00 -0.53 0.00 0.00 54.79 53.89 1a8a n ASP 142 Cb 0.09 0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 41.28 1a8a n ASP 142 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1a8a s THR 143 N -3.23 1.05 0.30 -3.53 -4.23 -0.20 -4.93 115.64 100.87 1a8a s THR 143 Ca 0.03 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1a8a s THR 143 Cb 0.14 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1a8a s THR 143 CO 0.80 0.00 0.50 -0.94 -0.54 0.00 0.00 174.62 174.44 1a8a s SER 144 N -3.92 0.38 0.70 3.99 1.04 -1.26 -4.87 113.70 109.76 1a8a s SER 144 Ca 0.02 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1a8a s SER 144 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1a8a s SER 144 CO 0.01 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1a8a n GLY 145 N -0.48 0.46 0.23 7.32 0.00 -1.26 -1.81 105.19 109.65 1a8a n GLY 145 Ca -0.01 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1a8a n GLY 145 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1a8a h TYR 146 N 0.00 0.00 0.34 1.61 0.05 -2.00 -3.00 116.97 113.97 1a8a h TYR 146 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1a8a h TYR 146 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1a8a h TYR 146 CO 0.00 0.15 -0.16 -0.92 -1.05 0.00 0.00 178.16 176.17 1a8a h TYR 147 N 0.00 -0.42 -0.56 4.88 3.20 -1.91 -1.23 116.97 120.93 1a8a h TYR 147 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1a8a h TYR 147 Cb 0.80 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.10 1a8a h TYR 147 CO 0.00 -0.22 -0.42 0.37 -1.64 0.00 0.00 178.16 176.25 1a8a h GLN 148 N -0.52 -0.22 -0.94 1.82 4.15 -1.28 -0.51 115.11 117.61 1a8a h GLN 148 Ca -0.05 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1a8a h GLN 148 Cb 0.39 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.07 1a8a h GLN 148 CO 0.08 -0.15 0.61 0.00 -1.93 0.00 0.00 178.83 177.43 1a8a h ARG 149 N -0.23 1.02 -0.35 1.69 3.08 -1.42 0.34 114.38 118.51 1a8a h ARG 149 Ca 0.18 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1a8a h ARG 149 Cb 0.56 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1a8a h ARG 149 CO -0.67 0.68 -0.33 1.98 -1.07 0.00 0.00 179.97 180.55 1a8a h MET 150 N 1.05 0.85 -0.44 0.04 4.05 -0.51 -1.35 114.93 118.62 1a8a h MET 150 Ca 0.41 -0.44 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1a8a h MET 150 Cb 0.22 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1a8a h MET 150 CO -0.16 1.08 0.16 -0.07 0.23 0.00 0.00 176.91 178.15 1a8a h LEU 151 N 0.64 0.63 -0.68 3.39 3.38 -0.16 -1.96 115.31 120.56 1a8a h LEU 151 Ca 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1a8a h LEU 151 Cb 0.92 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1a8a h LEU 151 CO 0.08 0.65 0.42 0.58 0.09 0.00 0.00 178.44 180.26 1a8a h VAL 152 N 0.58 1.19 -0.77 1.22 2.07 -0.95 0.12 116.25 119.71 1a8a h VAL 152 Ca 0.15 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1a8a h VAL 152 Cb 0.23 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1a8a h VAL 152 CO -0.01 0.19 0.50 0.58 0.02 0.00 0.00 177.57 178.86 1a8a h VAL 153 N 0.92 1.16 -0.28 2.57 2.07 -1.06 -2.08 116.25 119.56 1a8a h VAL 153 Ca 0.24 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1a8a h VAL 153 Cb -0.05 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1a8a h VAL 153 CO -0.05 0.18 -0.53 -0.07 0.02 0.00 0.00 177.57 177.13 1a8a h LEU 154 N 1.01 0.92 -2.00 2.57 3.38 -0.71 -2.74 115.31 117.73 1a8a h LEU 154 Ca 0.29 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1a8a h LEU 154 Cb -0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1a8a h LEU 154 CO -0.08 1.27 0.00 -0.07 0.09 0.00 0.00 178.44 179.65 1a8a h LEU 155 N 0.64 0.00 -1.95 1.67 3.38 -0.35 -1.05 115.31 117.66 1a8a h LEU 155 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a8a h LEU 155 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1a8a h LEU 155 CO 0.12 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.21 1a8a h GLN 156 N 0.00 0.00 -6.04 1.13 1.08 -1.06 -3.47 115.11 106.75 1a8a h GLN 156 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1a8a h GLN 156 Cb 0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 1a8a h GLN 156 CO 0.00 0.00 -0.71 0.00 -0.95 0.00 0.00 178.83 177.17 1a8a n ALA 157 N -2.05 -1.21 -2.20 3.87 0.00 -0.40 -4.89 120.51 113.63 1a8a n ALA 157 Ca -0.01 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1a8a n ALA 157 Cb 0.20 -4.10 0.02 0.00 0.00 0.00 0.00 19.45 15.58 1a8a n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8a n ASN 158 N -2.70 4.40 -4.77 0.00 3.02 -1.26 -4.79 115.26 109.16 1a8a n ASN 158 Ca 0.03 -3.51 -0.37 0.00 -0.03 0.00 0.00 54.58 50.70 1a8a n ASN 158 Cb 0.53 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1a8a n ASN 158 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1a8a s ARG 159 N -3.61 3.73 0.58 3.52 3.52 -1.26 -4.94 118.95 120.50 1a8a s ARG 159 Ca 0.47 1.78 -0.20 0.00 -0.13 0.00 0.00 55.73 57.65 1a8a s ARG 159 Cb 0.40 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 1a8a s ARG 159 CO -0.00 -0.57 1.12 -0.25 -0.81 0.00 0.00 175.30 174.79 1a8a n ASP 160 N -0.52 1.49 -4.76 -2.12 8.00 -0.25 -4.94 116.55 113.45 1a8a n ASP 160 Ca 0.07 0.87 -0.31 0.00 0.71 0.00 0.00 54.79 56.13 1a8a n ASP 160 Cb 0.48 -1.46 0.10 0.00 -0.02 0.00 0.00 41.12 40.22 1a8a n ASP 160 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1a8a s PRO 161 N -2.85 2.12 -0.06 -0.24 0.02 -1.26 -4.04 135.00 128.69 1a8a s PRO 161 Ca 0.75 1.14 -0.27 0.00 0.02 0.00 0.00 61.00 62.64 1a8a s PRO 161 Cb -0.42 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 1a8a s PRO 161 CO 0.47 -1.74 0.87 -0.51 -0.33 0.00 0.00 177.00 175.76 1a8a s ASP 162 N -3.38 7.17 0.00 2.53 1.11 -1.26 -4.61 116.67 118.23 1a8a s ASP 162 Ca 0.62 1.42 0.00 0.00 0.18 0.00 0.00 52.55 54.76 1a8a s ASP 162 Cb -0.17 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1a8a s ASP 162 CO 0.56 -0.25 0.00 1.07 1.18 0.00 0.00 175.17 177.74 1a8a n THR 163 N 4.03 0.00 -2.14 -1.27 5.66 -1.26 -5.11 114.28 114.19 1a8a n THR 163 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 1a8a n THR 163 Cb 0.51 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 1a8a n THR 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a8a s ALA 164 N -1.71 3.53 0.21 1.79 0.00 -1.26 -4.95 121.76 119.37 1a8a s ALA 164 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1a8a s ALA 164 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1a8a s ALA 164 CO 0.00 -0.61 0.94 0.42 0.00 0.00 0.00 175.76 176.51 1a8a s ILE 165 N -0.53 4.17 -0.34 0.00 1.09 -1.26 -5.03 121.20 119.29 1a8a s ILE 165 Ca 0.53 2.08 -0.09 0.00 -1.10 0.00 0.00 60.65 62.07 1a8a s ILE 165 Cb -0.39 -4.33 0.02 0.00 -1.06 0.00 0.00 42.46 36.70 1a8a s ILE 165 CO 0.46 0.46 0.16 -0.62 -0.10 0.00 0.00 174.94 175.30 1a8a s ASP 166 N -0.91 5.54 0.33 3.58 2.15 -1.26 -5.00 116.67 121.10 1a8a s ASP 166 Ca 0.42 -0.84 0.06 0.00 0.43 0.00 0.00 52.55 52.63 1a8a s ASP 166 Cb -0.25 -1.98 0.60 0.00 -0.30 0.00 0.00 42.92 40.99 1a8a s ASP 166 CO 0.31 -0.30 1.82 0.44 -0.17 0.00 0.00 175.17 177.28 1a8a h ASP 167 N 8.36 0.33 -0.17 -0.34 3.32 -1.98 -0.05 116.42 125.88 1a8a h ASP 167 Ca -0.28 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1a8a h ASP 167 Cb 1.12 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1a8a h ASP 167 CO 0.64 0.55 -0.09 0.00 -1.72 0.00 0.00 179.24 178.61 1a8a h ALA 168 N 1.49 1.27 -0.11 3.45 0.00 -1.99 0.93 119.26 124.31 1a8a h ALA 168 Ca 0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1a8a h ALA 168 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a8a h ALA 168 CO 0.03 0.48 -0.66 1.96 0.00 0.00 0.00 179.25 181.06 1a8a h GLN 169 N 0.48 0.42 -0.11 0.00 1.08 -1.48 -1.26 115.11 114.24 1a8a h GLN 169 Ca 0.09 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1a8a h GLN 169 Cb 0.45 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1a8a h GLN 169 CO 0.02 0.94 -0.01 0.28 -0.95 0.00 0.00 178.83 179.11 1a8a h VAL 170 N 0.30 1.27 0.00 -0.54 2.07 -0.49 -1.88 116.25 116.98 1a8a h VAL 170 Ca -0.02 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 1a8a h VAL 170 Cb 1.22 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1a8a h VAL 170 CO 0.11 0.25 -0.46 1.05 0.02 0.00 0.00 177.57 178.54 1a8a h GLU 171 N -0.09 0.00 -0.47 1.57 4.11 -0.77 -1.66 114.58 117.27 1a8a h GLU 171 Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.41 1a8a h GLU 171 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1a8a h GLU 171 CO 0.01 0.46 0.10 1.25 0.07 0.00 0.00 179.01 180.90 1a8a h LEU 172 N 0.00 0.74 -0.63 3.06 6.46 -1.20 -1.68 115.31 122.06 1a8a h LEU 172 Ca -0.00 -0.25 -0.15 0.00 -0.12 0.00 0.00 57.88 57.36 1a8a h LEU 172 Cb 0.93 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1a8a h LEU 172 CO 0.06 0.79 -0.64 0.44 -0.62 0.00 0.00 178.44 178.48 1a8a h ASP 173 N 0.65 0.23 -0.25 1.25 3.32 -1.19 -1.10 116.42 119.33 1a8a h ASP 173 Ca 0.15 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1a8a h ASP 173 Cb 0.36 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1a8a h ASP 173 CO 0.01 0.80 0.13 0.00 -1.72 0.00 0.00 179.24 178.46 1a8a h ALA 174 N 1.20 0.32 -0.23 3.45 0.00 -1.15 -1.93 119.26 120.92 1a8a h ALA 174 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1a8a h ALA 174 Cb 1.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1a8a h ALA 174 CO 0.10 -0.15 -0.06 0.37 0.00 0.00 0.00 179.25 179.51 1a8a h GLN 175 N 0.29 0.45 -0.71 0.00 5.75 -1.27 -2.21 115.11 117.40 1a8a h GLN 175 Ca 0.09 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 58.55 1a8a h GLN 175 Cb 0.07 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.50 1a8a h GLN 175 CO -0.01 0.69 0.24 0.00 -2.65 0.00 0.00 178.83 177.10 1a8a h ALA 176 N 0.75 0.96 -0.77 3.38 0.00 -1.14 -0.65 119.26 121.79 1a8a h ALA 176 Ca 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1a8a h ALA 176 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1a8a h ALA 176 CO 0.02 -0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.31 1a8a h LEU 177 N 0.38 1.02 0.12 0.00 3.38 -1.29 0.13 115.31 119.05 1a8a h LEU 177 Ca 0.39 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1a8a h LEU 177 Cb 0.59 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1a8a h LEU 177 CO -0.41 0.88 -0.14 0.15 0.09 0.00 0.00 178.44 179.01 1a8a h PHE 178 N 1.09 -0.36 0.00 1.13 3.57 -0.99 -0.80 116.94 120.57 1a8a h PHE 178 Ca 0.26 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1a8a h PHE 178 Cb 0.15 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1a8a h PHE 178 CO 0.01 -0.21 -0.35 1.96 -2.23 0.00 0.00 178.31 177.49 1a8a h GLN 179 N -0.29 0.00 0.00 1.11 4.20 -1.03 -2.50 115.11 116.59 1a8a h GLN 179 Ca 0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1a8a h GLN 179 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1a8a h GLN 179 CO -0.05 0.35 -0.50 0.00 -0.67 0.00 0.00 178.83 177.96 1a8a h ALA 180 N 1.65 0.87 -3.00 3.87 0.00 -0.53 -3.31 119.26 118.81 1a8a h ALA 180 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a8a h ALA 180 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a8a h ALA 180 CO 0.05 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1a8a n GLY 181 N 0.52 0.25 0.37 0.00 0.00 -0.32 -1.81 105.19 104.19 1a8a n GLY 181 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1a8a n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a8a h GLU 182 N 0.00 0.61 -0.31 1.61 4.39 -1.74 -1.73 114.58 117.41 1a8a h GLU 182 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a8a h GLU 182 Cb 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1a8a h GLU 182 CO 0.00 0.41 0.00 1.28 -1.16 0.00 0.00 179.01 179.54 1a8a n LEU 183 N -4.52 2.05 -4.50 1.33 4.77 -0.96 -4.89 117.00 110.28 1a8a n LEU 183 Ca 0.15 -0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 54.86 1a8a n LEU 183 Cb 0.43 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 1a8a n LEU 183 CO 0.31 0.48 -0.45 -0.75 -1.33 0.00 0.00 177.39 175.65 1a8a s LYS 184 N -1.59 2.33 -0.23 3.23 2.20 -0.65 -4.99 119.74 120.03 1a8a s LYS 184 Ca 0.30 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1a8a s LYS 184 Cb 0.16 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 1a8a s LYS 184 CO 0.22 0.58 1.15 -0.46 -0.36 0.00 0.00 175.35 176.49 1a8a s TRP 185 N -0.88 3.06 0.00 4.03 -0.00 -1.26 -4.64 118.94 119.24 1a8a s TRP 185 Ca 0.14 1.19 0.00 0.00 -0.00 0.00 0.00 56.10 57.43 1a8a s TRP 185 Cb -0.11 -3.51 0.00 0.00 -0.00 0.00 0.00 33.47 29.86 1a8a s TRP 185 CO 0.04 -1.10 0.00 0.41 -0.00 0.00 0.00 176.95 176.30 1a8a n GLY 186 N 3.65 -1.57 3.19 5.86 0.00 -1.26 -5.00 105.19 110.06 1a8a n GLY 186 Ca 0.13 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1a8a n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8a s THR 187 N 0.00 0.07 -0.95 2.61 2.01 -1.26 -4.80 115.64 113.31 1a8a s THR 187 Ca 0.00 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1a8a s THR 187 Cb 0.00 -0.61 0.24 0.00 0.01 0.00 0.00 72.50 72.14 1a8a s THR 187 CO 0.00 -0.33 0.87 -0.62 -0.69 0.00 0.00 174.62 173.86 1a8a s ASP 188 N -1.46 6.37 0.33 3.53 -1.08 -0.75 -4.90 116.67 118.71 1a8a s ASP 188 Ca -0.13 -3.69 0.02 0.00 -0.52 0.00 0.00 52.55 48.24 1a8a s ASP 188 Cb -0.05 -1.99 0.61 0.00 -1.46 0.00 0.00 42.92 40.02 1a8a s ASP 188 CO 0.02 -0.21 1.94 -0.33 0.52 0.00 0.00 175.17 177.11 1a8a h GLU 189 N 6.20 0.90 -0.54 4.34 3.07 -1.98 -1.29 114.58 125.27 1a8a h GLU 189 Ca 0.16 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.08 1a8a h GLU 189 Cb 0.83 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1a8a h GLU 189 CO 0.90 0.59 0.37 1.49 -1.40 0.00 0.00 179.01 180.96 1a8a h GLU 190 N 0.93 0.26 -0.06 2.33 4.81 -1.99 0.11 114.58 120.97 1a8a h GLU 190 Ca 0.34 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.32 1a8a h GLU 190 Cb 0.16 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1a8a h GLU 190 CO -0.11 0.17 -0.88 -0.22 -0.73 0.00 0.00 179.01 177.24 1a8a h LYS 191 N 0.27 0.60 -0.40 1.92 1.63 -1.65 -2.39 116.57 116.55 1a8a h LYS 191 Ca 0.25 -0.56 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 1a8a h LYS 191 Cb 0.63 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1a8a h LYS 191 CO -0.05 1.18 -0.04 0.74 -3.45 0.00 0.00 179.45 177.83 1a8a h PHE 192 N 0.37 0.80 -0.55 1.91 -1.00 -0.85 -2.60 116.94 115.03 1a8a h PHE 192 Ca -0.08 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 1a8a h PHE 192 Cb 1.51 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.84 1a8a h PHE 192 CO 0.08 0.82 0.28 0.82 -1.61 0.00 0.00 178.31 178.70 1a8a h ILE 193 N 0.54 1.19 0.13 -0.55 2.04 -1.22 0.30 117.51 119.95 1a8a h ILE 193 Ca 0.11 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1a8a h ILE 193 Cb 0.53 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1a8a h ILE 193 CO 0.03 0.21 -0.06 0.74 0.00 0.00 0.00 178.15 179.07 1a8a h THR 194 N 0.73 1.03 -0.14 -0.27 2.02 -1.43 0.57 112.91 115.42 1a8a h THR 194 Ca 0.19 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 1a8a h THR 194 Cb 0.08 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1a8a h THR 194 CO -0.03 0.17 -0.32 0.40 0.37 0.00 0.00 175.52 176.11 1a8a h ILE 195 N -0.52 1.36 -0.16 3.11 2.04 -1.43 -2.53 117.51 119.37 1a8a h ILE 195 Ca -0.02 -1.59 -0.16 0.00 1.00 0.00 0.00 64.86 64.09 1a8a h ILE 195 Cb 0.41 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1a8a h ILE 195 CO 0.03 0.48 -0.58 -0.07 0.00 0.00 0.00 178.15 178.01 1a8a h LEU 196 N 0.08 0.59 -0.41 1.44 4.07 -0.96 -2.50 115.31 117.62 1a8a h LEU 196 Ca 0.00 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1a8a h LEU 196 Cb 0.92 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1a8a h LEU 196 CO 0.07 1.04 0.00 1.23 -1.08 0.00 0.00 178.44 179.70 1a8a h GLY 197 N 1.10 0.00 0.00 0.83 0.00 0.11 -3.40 103.07 101.71 1a8a h GLY 197 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a8a h GLY 197 CO 0.11 0.00 -0.40 2.41 0.00 0.00 0.00 176.54 178.66 1a8a n THR 198 N -2.40 0.00 -2.13 4.70 -1.04 -0.95 -4.68 114.28 107.78 1a8a n THR 198 Ca 0.04 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 1a8a n THR 198 Cb 0.35 0.03 -0.01 0.00 -1.82 0.00 0.00 70.33 68.89 1a8a n THR 198 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1a8a s ARG 199 N -0.96 3.65 0.86 -2.82 1.81 -0.95 -1.09 118.95 119.45 1a8a s ARG 199 Ca 0.00 0.95 -0.11 0.00 -1.72 0.00 0.00 55.73 54.85 1a8a s ARG 199 Cb 0.00 -2.09 0.11 0.00 -0.45 0.00 0.00 34.95 32.52 1a8a s ARG 199 CO 0.00 -0.52 1.10 -1.54 -0.68 0.00 0.00 175.30 173.66 1a8a s SER 200 N -3.35 3.70 0.09 0.23 1.04 -1.26 -4.43 113.70 109.73 1a8a s SER 200 Ca 0.59 1.80 -0.17 0.00 0.48 0.00 0.00 55.95 58.65 1a8a s SER 200 Cb -0.12 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 1a8a s SER 200 CO 0.40 -2.54 1.52 0.58 0.98 0.00 0.00 173.24 174.17 1a8a h VAL 201 N -1.48 1.27 0.00 5.02 2.07 -1.90 -0.80 116.25 120.43 1a8a h VAL 201 Ca -0.46 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 1a8a h VAL 201 Cb 1.26 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1a8a h VAL 201 CO 0.50 0.32 -0.54 0.77 0.02 0.00 0.00 177.57 178.64 1a8a h SER 202 N 0.31 0.00 -0.56 0.57 4.64 -1.94 -1.57 113.55 115.00 1a8a h SER 202 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1a8a h SER 202 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1a8a h SER 202 CO 0.02 0.54 -0.04 -0.74 -0.87 0.00 0.00 176.83 175.74 1a8a h HIS 203 N 0.00 1.11 0.00 4.77 6.17 -1.90 -3.06 115.15 122.25 1a8a h HIS 203 Ca -0.01 -0.21 -0.09 0.00 0.71 0.00 0.00 60.37 60.78 1a8a h HIS 203 Cb 1.00 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 1a8a h HIS 203 CO 0.00 1.01 -0.42 -0.07 0.71 0.00 0.00 177.93 179.16 1a8a h LEU 204 N 0.90 0.00 -0.54 0.26 3.38 -0.19 -2.37 115.31 116.76 1a8a h LEU 204 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1a8a h LEU 204 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1a8a h LEU 204 CO 0.04 0.42 0.20 0.03 0.09 0.00 0.00 178.44 179.21 1a8a h ARG 205 N 0.00 0.82 -0.70 1.13 3.08 -1.38 -0.85 114.38 116.48 1a8a h ARG 205 Ca -0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1a8a h ARG 205 Cb 1.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1a8a h ARG 205 CO 0.05 0.73 0.34 0.00 -1.07 0.00 0.00 179.97 180.02 1a8a h ARG 206 N 0.74 1.01 -0.38 0.04 2.47 -1.39 -3.15 114.38 113.71 1a8a h ARG 206 Ca 0.18 -0.15 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1a8a h ARG 206 Cb 0.23 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1a8a h ARG 206 CO -0.01 0.79 0.16 0.28 0.56 0.00 0.00 179.97 181.75 1a8a h VAL 207 N 0.98 0.92 -0.28 2.04 2.07 -1.20 -1.87 116.25 118.91 1a8a h VAL 207 Ca 0.24 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1a8a h VAL 207 Cb 0.12 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1a8a h VAL 207 CO -0.03 0.06 0.07 -0.26 0.02 0.00 0.00 177.57 177.43 1a8a h PHE 208 N 0.33 0.40 -0.00 1.57 0.04 -1.16 -0.03 116.94 118.08 1a8a h PHE 208 Ca 0.17 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1a8a h PHE 208 Cb 0.13 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1a8a h PHE 208 CO -0.13 0.36 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.48 1a8a h ASP 209 N 0.40 0.02 -0.83 2.17 3.32 -1.45 -3.02 116.42 117.03 1a8a h ASP 209 Ca 0.10 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1a8a h ASP 209 Cb 0.16 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1a8a h ASP 209 CO -0.00 0.64 0.44 0.50 -1.72 0.00 0.00 179.24 179.09 1a8a h LYS 210 N -0.59 1.18 -0.68 3.56 1.63 -1.21 -0.96 116.57 119.50 1a8a h LYS 210 Ca -0.00 -0.15 0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1a8a h LYS 210 Cb 0.63 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 1a8a h LYS 210 CO 0.00 0.88 0.45 -0.92 -3.45 0.00 0.00 179.45 176.41 1a8a h TYR 211 N 1.18 0.71 0.06 1.91 3.20 -1.09 -1.70 116.97 121.25 1a8a h TYR 211 Ca 0.29 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1a8a h TYR 211 Cb 0.06 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1a8a h TYR 211 CO 0.01 0.39 -0.03 1.98 -1.64 0.00 0.00 178.16 178.87 1a8a h MET 212 N 0.71 -0.07 -0.36 1.82 4.05 -1.07 -1.54 114.93 118.47 1a8a h MET 212 Ca 0.29 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.79 1a8a h MET 212 Cb 0.24 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 1a8a h MET 212 CO -0.09 0.15 -0.11 1.15 0.23 0.00 0.00 176.91 178.25 1a8a h THR 213 N -0.29 0.61 -0.32 -0.77 2.02 -1.00 -0.65 112.91 112.50 1a8a h THR 213 Ca -0.01 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.01 1a8a h THR 213 Cb 0.26 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1a8a h THR 213 CO 0.01 0.00 -0.42 0.40 0.37 0.00 0.00 175.52 175.88 1a8a h ILE 214 N -0.02 1.28 0.00 3.11 2.04 -1.30 -3.37 117.51 119.26 1a8a h ILE 214 Ca 0.18 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1a8a h ILE 214 Cb 0.29 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1a8a h ILE 214 CO -0.39 0.53 -1.01 -1.54 0.00 0.00 0.00 178.15 175.74 1a8a n SER 215 N -4.09 0.99 0.00 1.72 3.41 -0.58 -4.99 113.62 110.07 1a8a n SER 215 Ca -0.04 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1a8a n SER 215 Cb 0.56 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1a8a n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8a n GLY 216 N 1.45 0.35 3.35 5.00 0.00 -0.26 -5.02 105.19 110.05 1a8a n GLY 216 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1a8a n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8a s PHE 217 N -1.75 2.12 0.41 1.61 0.08 -1.26 -5.05 117.98 114.15 1a8a s PHE 217 Ca 0.00 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.46 1a8a s PHE 217 Cb 0.00 -1.17 -0.10 0.00 -0.57 0.00 0.00 43.02 41.17 1a8a s PHE 217 CO 0.00 0.26 0.90 -0.65 -0.10 0.00 0.00 175.22 175.64 1a8a s GLN 218 N -1.88 4.16 0.30 0.44 -1.52 -1.26 -3.60 119.66 116.31 1a8a s GLN 218 Ca 0.11 1.01 0.01 0.00 -1.95 0.00 0.00 55.36 54.54 1a8a s GLN 218 Cb -0.10 -2.23 0.54 0.00 -0.22 0.00 0.00 33.01 30.99 1a8a s GLN 218 CO 0.05 -0.00 1.91 0.97 -0.25 0.00 0.00 175.29 177.97 1a8a h ILE 219 N 1.86 1.07 -0.84 1.08 6.09 -1.93 0.15 117.51 124.99 1a8a h ILE 219 Ca -0.49 -0.35 0.13 0.00 -1.37 0.00 0.00 64.86 62.78 1a8a h ILE 219 Cb 1.18 -0.04 -0.06 0.00 0.47 0.00 0.00 36.82 38.37 1a8a h ILE 219 CO 0.62 0.19 0.55 -0.33 -3.07 0.00 0.00 178.15 176.10 1a8a h GLU 220 N 1.02 0.64 -0.21 2.19 3.07 -1.98 0.11 114.58 119.42 1a8a h GLU 220 Ca 0.38 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 1a8a h GLU 220 Cb 0.19 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1a8a h GLU 220 CO -0.14 0.42 -0.30 0.93 -1.40 0.00 0.00 179.01 178.52 1a8a h GLU 221 N 0.66 0.57 -0.23 2.33 5.08 -1.12 -1.06 114.58 120.81 1a8a h GLU 221 Ca 0.41 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a8a h GLU 221 Cb 0.66 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1a8a h GLU 221 CO -0.17 0.94 0.11 1.15 -1.00 0.00 0.00 179.01 180.03 1a8a h THR 222 N 0.25 1.15 -0.64 1.13 2.02 -0.39 -1.05 112.91 115.39 1a8a h THR 222 Ca 0.02 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1a8a h THR 222 Cb 0.88 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 1a8a h THR 222 CO 0.07 0.15 0.33 0.40 0.37 0.00 0.00 175.52 176.84 1a8a h ILE 223 N 0.23 0.93 -0.74 3.11 2.04 -0.73 0.25 117.51 122.60 1a8a h ILE 223 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1a8a h ILE 223 Cb 0.14 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1a8a h ILE 223 CO -0.01 0.11 0.42 -0.78 0.00 0.00 0.00 178.15 177.90 1a8a h ASP 224 N 0.61 0.90 -0.79 1.72 3.58 -0.98 0.68 116.42 122.14 1a8a h ASP 224 Ca 0.29 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1a8a h ASP 224 Cb 0.22 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1a8a h ASP 224 CO -0.20 0.72 0.42 0.03 -2.88 0.00 0.00 179.24 177.32 1a8a h ARG 225 N 1.01 1.12 0.00 0.28 3.08 -0.09 -3.33 114.38 116.45 1a8a h ARG 225 Ca 0.26 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 1a8a h ARG 225 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 1a8a h ARG 225 CO -0.05 0.84 -1.62 0.39 -1.07 0.00 0.00 179.97 178.46 1a8a n GLU 226 N -4.40 0.63 -3.24 0.04 -0.58 0.76 -4.98 120.64 108.87 1a8a n GLU 226 Ca 0.07 0.22 -0.14 0.00 -0.42 0.00 0.00 57.16 56.89 1a8a n GLU 226 Cb 0.11 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.17 1a8a n GLU 226 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1a8a n THR 227 N -2.91 0.00 -3.87 2.62 -2.24 0.22 -4.91 114.28 103.20 1a8a n THR 227 Ca -0.14 -1.18 -0.09 0.00 -2.27 0.00 0.00 64.05 60.37 1a8a n THR 227 Cb 0.93 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1a8a n THR 227 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a8a s SER 228 N -2.30 -0.13 0.38 3.42 1.04 -1.26 -4.73 113.70 110.12 1a8a s SER 228 Ca 0.06 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1a8a s SER 228 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1a8a s SER 228 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1a8a n GLY 229 N -0.32 0.69 0.30 7.32 0.00 -1.26 -2.59 105.19 109.34 1a8a n GLY 229 Ca -0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 1a8a n GLY 229 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a8a h ASN 230 N 8.84 0.94 -0.68 1.61 2.35 -2.01 -1.23 115.58 125.40 1a8a h ASN 230 Ca 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1a8a h ASN 230 Cb 0.00 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1a8a h ASN 230 CO 0.00 0.83 0.35 0.25 -1.65 0.00 0.00 177.43 177.21 1a8a h LEU 231 N 0.98 0.86 -0.35 1.61 5.85 -1.94 -0.79 115.31 121.53 1a8a h LEU 231 Ca 0.24 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1a8a h LEU 231 Cb 0.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1a8a h LEU 231 CO -0.02 0.73 0.17 -0.08 -0.34 0.00 0.00 178.44 178.89 1a8a h GLU 232 N 0.93 0.35 -0.51 1.25 4.81 -1.17 0.25 114.58 120.49 1a8a h GLU 232 Ca 0.24 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1a8a h GLU 232 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1a8a h GLU 232 CO -0.03 0.23 0.30 -0.91 -0.73 0.00 0.00 179.01 177.87 1a8a h ASN 233 N 0.36 0.49 -0.24 1.04 2.35 -0.94 -0.21 115.58 118.42 1a8a h ASN 233 Ca 0.15 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1a8a h ASN 233 Cb 0.06 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1a8a h ASN 233 CO -0.10 0.34 -0.10 0.25 -1.65 0.00 0.00 177.43 176.17 1a8a h LEU 234 N 0.60 0.51 -0.78 1.61 6.46 -0.90 -0.48 115.31 122.34 1a8a h LEU 234 Ca 0.21 -0.40 -0.08 0.00 -0.12 0.00 0.00 57.88 57.49 1a8a h LEU 234 Cb 0.03 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1a8a h LEU 234 CO -0.10 0.80 0.04 -0.07 -0.62 0.00 0.00 178.44 178.49 1a8a h LEU 235 N 0.23 0.93 -0.98 2.25 3.38 -0.15 -1.71 115.31 119.26 1a8a h LEU 235 Ca 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1a8a h LEU 235 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1a8a h LEU 235 CO 0.03 0.96 0.19 -0.07 0.09 0.00 0.00 178.44 179.65 1a8a h LEU 236 N 0.90 0.86 -0.84 1.67 3.38 -0.93 -2.18 115.31 118.17 1a8a h LEU 236 Ca 0.17 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1a8a h LEU 236 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1a8a h LEU 236 CO 0.02 0.81 0.08 0.00 0.09 0.00 0.00 178.44 179.44 1a8a h ALA 237 N 1.31 1.04 -0.13 1.53 0.00 -0.58 -0.72 119.26 121.71 1a8a h ALA 237 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1a8a h ALA 237 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a8a h ALA 237 CO -0.01 0.61 0.00 0.28 0.00 0.00 0.00 179.25 180.14 1a8a h VAL 238 N 0.90 1.25 -0.27 0.00 2.07 -1.16 0.60 116.25 119.63 1a8a h VAL 238 Ca 0.18 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1a8a h VAL 238 Cb 0.41 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1a8a h VAL 238 CO 0.01 0.24 0.16 0.58 0.02 0.00 0.00 177.57 178.58 1a8a h VAL 239 N -0.02 1.10 -0.37 2.57 2.07 -1.20 -0.75 116.25 119.65 1a8a h VAL 239 Ca 0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1a8a h VAL 239 Cb 0.36 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1a8a h VAL 239 CO 0.01 0.10 0.24 0.11 0.02 0.00 0.00 177.57 178.05 1a8a h LYS 240 N 0.34 0.48 -0.04 1.57 1.57 -1.09 -1.34 116.57 118.08 1a8a h LYS 240 Ca 0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1a8a h LYS 240 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1a8a h LYS 240 CO -0.02 0.32 -0.18 0.77 -0.57 0.00 0.00 179.45 179.78 1a8a h SER 241 N 0.50 0.05 -0.30 0.86 0.02 -0.72 -0.31 113.55 113.64 1a8a h SER 241 Ca 0.13 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 1a8a h SER 241 Cb -0.05 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1a8a h SER 241 CO -0.03 0.24 -0.39 0.40 -1.14 0.00 0.00 176.83 175.91 1a8a h ILE 242 N 0.05 1.28 0.17 3.27 1.08 -0.11 -2.93 117.51 120.32 1a8a h ILE 242 Ca 0.01 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.91 1a8a h ILE 242 Cb 0.35 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1a8a h ILE 242 CO 0.02 0.52 -0.08 0.03 -0.69 0.00 0.00 178.15 177.95 1a8a h ARG 243 N 0.69 -0.22 -1.27 2.37 3.08 -0.80 -3.45 114.38 114.78 1a8a h ARG 243 Ca 0.06 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1a8a h ARG 243 Cb 0.96 0.05 -0.21 0.00 0.08 0.00 0.00 29.97 30.85 1a8a h ARG 243 CO 0.09 0.07 -0.12 0.45 -1.07 0.00 0.00 179.97 179.39 1a8a s SER 244 N -5.24 -1.11 0.11 7.04 0.15 -0.17 -5.05 113.70 109.43 1a8a s SER 244 Ca -0.15 1.05 -0.22 0.00 0.70 0.00 0.00 55.95 57.34 1a8a s SER 244 Cb 0.03 2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 66.32 1a8a s SER 244 CO 0.61 -0.21 1.72 0.40 1.20 0.00 0.00 173.24 176.97 1a8a h ILE 245 N 5.87 0.91 -0.60 6.45 2.04 -1.72 -0.50 117.51 129.95 1a8a h ILE 245 Ca -0.19 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.78 1a8a h ILE 245 Cb 1.14 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 1a8a h ILE 245 CO 0.15 0.00 0.11 -0.65 0.00 0.00 0.00 178.15 177.76 1a8a h PRO 246 N 0.00 0.23 -0.77 2.37 0.11 -1.92 -0.06 132.00 131.96 1a8a h PRO 246 Ca 0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1a8a h PRO 246 Cb 0.07 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 1a8a h PRO 246 CO -0.10 0.16 0.38 0.00 -0.21 0.00 0.00 178.00 178.23 1a8a h ALA 247 N 1.49 0.99 -0.64 -0.75 0.00 -1.84 0.23 119.26 118.74 1a8a h ALA 247 Ca 0.32 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1a8a h ALA 247 Cb 0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1a8a h ALA 247 CO -0.42 0.55 0.12 -0.92 0.00 0.00 0.00 179.25 178.58 1a8a h TYR 248 N 1.08 1.11 0.00 0.00 3.20 0.62 -2.16 116.97 120.82 1a8a h TYR 248 Ca 0.27 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1a8a h TYR 248 Cb 0.11 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1a8a h TYR 248 CO 0.01 0.94 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.84 1a8a h LEU 249 N 0.96 0.00 -0.67 2.82 3.38 -0.32 -1.74 115.31 119.74 1a8a h LEU 249 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1a8a h LEU 249 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1a8a h LEU 249 CO 0.01 0.56 0.33 0.00 0.09 0.00 0.00 178.44 179.43 1a8a h ALA 250 N 1.44 0.87 -0.49 1.53 0.00 -0.38 -1.41 119.26 120.83 1a8a h ALA 250 Ca -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1a8a h ALA 250 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1a8a h ALA 250 CO 0.07 0.43 -0.16 1.49 0.00 0.00 0.00 179.25 181.08 1a8a h GLU 251 N 0.93 0.95 -0.41 0.00 4.81 -1.20 -0.66 114.58 119.00 1a8a h GLU 251 Ca 0.23 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1a8a h GLU 251 Cb 0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1a8a h GLU 251 CO -0.03 1.03 0.26 1.15 -0.73 0.00 0.00 179.01 180.69 1a8a h THR 252 N 0.83 1.09 0.93 0.32 2.02 -1.12 -2.80 112.91 114.18 1a8a h THR 252 Ca 0.12 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1a8a h THR 252 Cb 0.71 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1a8a h THR 252 CO 0.05 0.10 -0.45 -0.07 0.37 0.00 0.00 175.52 175.52 1a8a h LEU 253 N 0.54 -1.07 -0.90 2.58 3.38 -1.10 -2.36 115.31 116.38 1a8a h LEU 253 Ca 0.15 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.39 1a8a h LEU 253 Cb -0.05 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 1a8a h LEU 253 CO -0.04 -0.76 0.37 0.22 0.09 0.00 0.00 178.44 178.31 1a8a h TYR 254 N -1.25 0.59 0.00 1.13 3.20 -1.14 0.65 116.97 120.15 1a8a h TYR 254 Ca -0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1a8a h TYR 254 Cb 0.96 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1a8a h TYR 254 CO -0.01 -0.10 0.00 1.88 -1.64 0.00 0.00 178.16 178.29 1a8a h TYR 255 N 0.34 0.00 0.00 -3.82 -1.99 -1.42 0.14 116.97 110.22 1a8a h TYR 255 Ca 0.57 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.20 1a8a h TYR 255 Cb 1.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 1a8a h TYR 255 CO -0.16 0.00 -0.48 0.00 -0.00 0.00 0.00 178.16 177.52 1a8a h ALA 256 N 2.23 1.04 0.00 3.88 0.00 -0.31 -3.36 119.26 122.74 1a8a h ALA 256 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 54.91 54.09 1a8a h ALA 256 Cb 0.79 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1a8a h ALA 256 CO 0.00 0.60 -2.21 -1.33 0.00 0.00 0.00 179.25 176.31 1a8a n MET 257 N -3.72 0.58 -0.44 0.00 2.81 -1.02 0.09 117.12 115.42 1a8a n MET 257 Ca -0.01 0.29 0.36 0.00 -1.81 0.00 0.00 57.70 56.54 1a8a n MET 257 Cb 0.54 -1.52 0.66 0.00 -0.71 0.00 0.00 33.22 32.19 1a8a n MET 257 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1a8a h LYS 258 N -1.00 0.11 0.00 0.03 5.09 -0.88 -3.41 116.57 116.52 1a8a h LYS 258 Ca -0.58 -0.01 -0.12 0.00 0.09 0.00 0.00 60.65 60.04 1a8a h LYS 258 Cb 1.50 -0.03 0.07 0.00 0.10 0.00 0.00 32.23 33.87 1a8a h LYS 258 CO -0.35 0.08 -0.03 0.41 -2.09 0.00 0.00 179.45 177.47 1a8a n GLY 259 N -1.58 -3.45 0.09 0.07 0.00 -1.26 -4.95 105.19 94.11 1a8a n GLY 259 Ca 0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 1a8a n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8a h ALA 260 N -2.44 -1.01 -3.00 4.61 0.00 -1.97 -3.45 119.26 112.00 1a8a h ALA 260 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a8a h ALA 260 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a8a h ALA 260 CO 0.08 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.74 1a8a n GLY 261 N -1.11 -0.81 2.87 0.00 0.00 -1.26 -5.06 105.19 99.82 1a8a n GLY 261 Ca -0.03 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 1a8a n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8a s THR 262 N 0.00 0.10 -1.05 2.61 2.01 -1.26 -4.73 115.64 113.32 1a8a s THR 262 Ca 0.00 -0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 1a8a s THR 262 Cb 0.00 -0.12 0.07 0.00 0.01 0.00 0.00 72.50 72.46 1a8a s THR 262 CO 0.00 0.05 1.43 -0.62 -0.69 0.00 0.00 174.62 174.80 1a8a s ASP 263 N 0.22 6.58 0.27 3.53 -1.08 0.11 -4.86 116.67 121.44 1a8a s ASP 263 Ca -0.02 -1.73 -0.01 0.00 -0.52 0.00 0.00 52.55 50.27 1a8a s ASP 263 Cb -0.04 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.25 1a8a s ASP 263 CO -0.01 -1.37 1.75 0.44 0.52 0.00 0.00 175.17 176.51 1a8a h ASP 264 N 9.26 0.68 -0.79 -0.34 3.32 -1.97 -2.20 116.42 124.37 1a8a h ASP 264 Ca 0.23 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1a8a h ASP 264 Cb 0.99 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1a8a h ASP 264 CO 1.37 0.80 0.49 -0.74 -1.72 0.00 0.00 179.24 179.45 1a8a h HIS 265 N 0.65 0.92 -0.10 4.55 2.76 -1.99 0.01 115.15 121.94 1a8a h HIS 265 Ca 0.12 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.12 1a8a h HIS 265 Cb 0.51 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 1a8a h HIS 265 CO 0.02 0.49 -0.74 1.15 -1.30 0.00 0.00 177.93 177.56 1a8a h THR 266 N 0.93 1.35 -0.51 6.26 2.02 -1.83 -1.86 112.91 119.27 1a8a h THR 266 Ca 0.33 -2.08 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 1a8a h THR 266 Cb 0.10 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1a8a h THR 266 CO -0.15 0.63 0.11 0.25 0.37 0.00 0.00 175.52 176.74 1a8a h LEU 267 N 0.36 0.78 0.05 2.58 6.46 -1.10 0.82 115.31 125.25 1a8a h LEU 267 Ca -0.04 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1a8a h LEU 267 Cb 1.32 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1a8a h LEU 267 CO 0.13 0.82 -0.02 0.40 -0.62 0.00 0.00 178.44 179.15 1a8a h ILE 268 N 0.70 1.22 -0.45 4.05 2.04 -0.90 -2.45 117.51 121.72 1a8a h ILE 268 Ca 0.16 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1a8a h ILE 268 Cb 0.36 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1a8a h ILE 268 CO 0.00 0.23 0.15 -0.09 0.00 0.00 0.00 178.15 178.44 1a8a h ARG 269 N -0.46 0.30 -0.07 2.37 2.43 -1.31 0.42 114.38 118.05 1a8a h ARG 269 Ca -0.01 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1a8a h ARG 269 Cb 0.42 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1a8a h ARG 269 CO 0.01 0.20 -0.82 0.28 -1.51 0.00 0.00 179.97 178.13 1a8a h VAL 270 N 0.31 1.35 -0.33 0.20 2.07 -0.85 -0.15 116.25 118.85 1a8a h VAL 270 Ca 0.21 -2.17 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 1a8a h VAL 270 Cb 0.22 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1a8a h VAL 270 CO -0.23 0.66 -0.01 0.40 0.02 0.00 0.00 177.57 178.41 1a8a h ILE 271 N 0.35 1.26 0.05 4.57 1.08 -1.08 -2.45 117.51 121.29 1a8a h ILE 271 Ca -0.06 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1a8a h ILE 271 Cb 1.43 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 1a8a h ILE 271 CO 0.15 0.32 -0.02 0.58 -0.69 0.00 0.00 178.15 178.49 1a8a h VAL 272 N 0.39 1.28 0.00 1.67 2.07 -0.93 -1.38 116.25 119.36 1a8a h VAL 272 Ca 0.09 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1a8a h VAL 272 Cb 0.47 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1a8a h VAL 272 CO 0.02 0.29 -0.05 0.77 0.02 0.00 0.00 177.57 178.61 1a8a h SER 273 N -0.59 0.00 -0.01 0.57 4.64 -1.07 -2.92 113.55 114.16 1a8a h SER 273 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a8a h SER 273 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1a8a h SER 273 CO 0.01 0.05 -0.13 0.54 -0.87 0.00 0.00 176.83 176.43 1a8a n ARG 274 N -3.49 1.40 -0.26 4.77 5.12 -0.92 -4.65 116.66 118.62 1a8a n ARG 274 Ca -0.02 -1.09 0.17 0.00 -1.93 0.00 0.00 57.85 54.98 1a8a n ARG 274 Cb 0.17 -1.25 0.47 0.00 -1.16 0.00 0.00 32.46 30.69 1a8a n ARG 274 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1a8a h SER 275 N 2.29 0.50 -0.43 0.55 4.64 -1.04 0.68 113.55 120.74 1a8a h SER 275 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1a8a h SER 275 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1a8a h SER 275 CO 0.00 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 1a8a n GLU 276 N -4.55 3.62 0.01 4.77 1.02 -1.26 -0.25 120.64 124.00 1a8a n GLU 276 Ca 0.20 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 1a8a n GLU 276 Cb 0.65 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1a8a n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a8a n ILE 277 N 0.20 0.21 -2.16 -3.67 5.41 0.20 -4.51 119.36 115.04 1a8a n ILE 277 Ca 0.23 0.07 -0.00 0.00 1.00 0.00 0.00 62.75 64.05 1a8a n ILE 277 Cb 0.93 -1.06 -0.01 0.00 -0.71 0.00 0.00 39.64 38.79 1a8a n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a8a n ASP 278 N -2.68 0.13 0.24 4.38 5.68 -1.00 -2.26 116.55 121.05 1a8a n ASP 278 Ca 0.00 -1.82 0.12 0.00 -0.50 0.00 0.00 54.79 52.59 1a8a n ASP 278 Cb 0.00 -0.10 0.57 0.00 -1.14 0.00 0.00 41.12 40.45 1a8a n ASP 278 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1a8a h LEU 279 N 0.32 0.00 0.12 -2.12 5.85 -1.19 -0.74 115.31 117.56 1a8a h LEU 279 Ca -0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1a8a h LEU 279 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1a8a h LEU 279 CO -0.02 0.16 -0.06 0.15 -0.34 0.00 0.00 178.44 178.33 1a8a h PHE 280 N 0.00 -0.15 -0.88 1.25 3.57 -1.09 -0.95 116.94 118.69 1a8a h PHE 280 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1a8a h PHE 280 Cb 0.61 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1a8a h PHE 280 CO 0.00 -0.03 0.57 -0.91 -2.23 0.00 0.00 178.31 175.71 1a8a h ASN 281 N -0.23 0.96 -0.73 0.41 4.21 -1.54 0.31 115.58 118.96 1a8a h ASN 281 Ca -0.02 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.48 1a8a h ASN 281 Cb 0.19 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.13 1a8a h ASN 281 CO 0.03 0.67 0.45 0.40 -1.29 0.00 0.00 177.43 177.69 1a8a h ILE 282 N 1.13 1.20 0.06 2.81 2.04 -0.94 -2.22 117.51 121.58 1a8a h ILE 282 Ca 0.34 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1a8a h ILE 282 Cb -0.04 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1a8a h ILE 282 CO -0.10 0.21 -0.03 0.03 0.00 0.00 0.00 178.15 178.26 1a8a h ARG 283 N 1.01 -0.08 -0.32 2.37 3.08 0.45 -1.32 114.38 119.57 1a8a h ARG 283 Ca 0.27 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.39 1a8a h ARG 283 Cb -0.06 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 1a8a h ARG 283 CO -0.05 0.04 -0.17 0.87 -1.07 0.00 0.00 179.97 179.59 1a8a h LYS 284 N -0.18 -0.12 -0.97 0.04 1.57 -1.20 -0.85 116.57 114.86 1a8a h LYS 284 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a8a h LYS 284 Cb 0.15 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1a8a h LYS 284 CO 0.01 -0.08 0.61 0.93 -0.57 0.00 0.00 179.45 180.36 1a8a h GLU 285 N -0.12 1.30 -0.41 3.15 4.39 -1.40 -0.22 114.58 121.28 1a8a h GLU 285 Ca 0.17 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1a8a h GLU 285 Cb 0.38 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1a8a h GLU 285 CO -0.40 0.89 -0.14 0.35 -1.16 0.00 0.00 179.01 178.55 1a8a h PHE 286 N 1.33 0.92 0.62 4.33 3.04 -0.67 -1.70 116.94 124.81 1a8a h PHE 286 Ca 0.35 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1a8a h PHE 286 Cb -0.10 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 38.20 1a8a h PHE 286 CO 0.00 0.95 -0.30 -0.09 -2.02 0.00 0.00 178.31 176.86 1a8a h ARG 287 N 0.63 -0.80 -0.85 1.11 9.65 -0.72 0.47 114.38 123.87 1a8a h ARG 287 Ca 0.10 0.05 0.22 0.00 -1.10 0.00 0.00 59.98 59.25 1a8a h ARG 287 Cb 0.68 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 29.31 1a8a h ARG 287 CO 0.05 -0.50 0.25 -0.22 2.80 0.00 0.00 179.97 182.35 1a8a h LYS 288 N -1.14 0.24 0.11 0.20 3.64 -1.12 -1.25 116.57 117.26 1a8a h LYS 288 Ca -0.09 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 1a8a h LYS 288 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1a8a h LYS 288 CO 0.14 0.16 -1.26 -0.91 -2.27 0.00 0.00 179.45 175.31 1a8a h ASN 289 N 0.25 0.37 -0.34 4.20 4.21 -1.24 -3.39 115.58 119.65 1a8a h ASN 289 Ca 0.52 -0.86 -0.00 0.00 1.21 0.00 0.00 56.30 57.17 1a8a h ASN 289 Cb 1.02 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1a8a h ASN 289 CO -0.61 1.56 0.00 0.49 -1.29 0.00 0.00 177.43 177.58 1a8a n PHE 290 N -4.00 1.25 -0.44 1.19 3.72 0.15 -4.94 117.46 114.39 1a8a n PHE 290 Ca -0.23 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.33 1a8a n PHE 290 Cb 0.87 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1a8a n PHE 290 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8a n ALA 291 N -0.22 0.00 -2.51 4.37 0.00 -0.48 -4.91 120.51 116.76 1a8a n ALA 291 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 1a8a n ALA 291 Cb 0.98 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 1a8a n ALA 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a8a s THR 292 N -0.92 2.82 0.40 0.00 2.01 -1.26 -5.01 115.64 113.69 1a8a s THR 292 Ca 0.00 -1.94 -0.20 0.00 0.31 0.00 0.00 61.69 59.86 1a8a s THR 292 Cb 0.00 -2.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.99 1a8a s THR 292 CO 0.00 -0.19 0.89 -0.44 -0.69 0.00 0.00 174.62 174.19 1a8a s SER 293 N -3.00 6.90 0.20 3.53 0.01 -1.26 -3.59 113.70 116.50 1a8a s SER 293 Ca 0.25 1.59 -0.07 0.00 1.31 0.00 0.00 55.95 59.03 1a8a s SER 293 Cb -0.08 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1a8a s SER 293 CO 0.14 -0.32 1.65 0.25 0.41 0.00 0.00 173.24 175.37 1a8a h LEU 294 N 2.02 0.96 -0.19 2.44 5.85 -1.12 -1.51 115.31 123.76 1a8a h LEU 294 Ca -0.49 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 57.98 1a8a h LEU 294 Cb 1.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1a8a h LEU 294 CO 0.62 1.05 -0.07 0.22 -0.34 0.00 0.00 178.44 179.92 1a8a h TYR 295 N 0.87 -0.17 -0.30 1.25 5.03 -1.66 0.46 116.97 122.46 1a8a h TYR 295 Ca 0.15 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.41 1a8a h TYR 295 Cb 0.61 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.98 1a8a h TYR 295 CO 0.04 -0.12 -0.11 0.66 -1.32 0.00 0.00 178.16 177.31 1a8a h SER 296 N -0.04 0.48 -0.06 -2.11 4.64 -1.74 0.82 113.55 115.54 1a8a h SER 296 Ca 0.10 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1a8a h SER 296 Cb 0.19 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1a8a h SER 296 CO -0.22 0.62 0.02 -0.03 -0.87 0.00 0.00 176.83 176.35 1a8a h MET 297 N 0.46 0.09 0.23 4.77 1.85 -0.87 0.33 114.93 121.80 1a8a h MET 297 Ca 0.09 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1a8a h MET 297 Cb 0.47 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.49 1a8a h MET 297 CO 0.03 0.26 -0.11 0.82 -0.40 0.00 0.00 176.91 177.51 1a8a h ILE 298 N -0.10 0.81 -0.81 1.77 2.04 -0.67 0.15 117.51 120.70 1a8a h ILE 298 Ca 0.02 -0.22 0.20 0.00 1.00 0.00 0.00 64.86 65.86 1a8a h ILE 298 Cb 0.21 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1a8a h ILE 298 CO -0.00 0.05 0.56 0.50 0.00 0.00 0.00 178.15 179.25 1a8a h LYS 299 N -0.42 0.24 0.12 2.37 1.63 -0.69 0.49 116.57 120.31 1a8a h LYS 299 Ca -0.03 -0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.47 1a8a h LYS 299 Cb 0.32 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1a8a h LYS 299 CO 0.05 0.16 -1.22 0.78 -3.45 0.00 0.00 179.45 175.77 1a8a h GLY 300 N 0.25 0.54 0.37 5.01 0.00 -0.11 -3.39 103.07 105.74 1a8a h GLY 300 Ca 0.41 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1a8a h GLY 300 CO -0.10 1.04 -0.47 1.34 0.00 0.00 0.00 176.54 178.35 1a8a n ASP 301 N -3.71 0.93 -4.47 0.19 2.03 0.15 -4.99 116.55 106.69 1a8a n ASP 301 Ca -0.11 -0.73 -0.29 0.00 0.52 0.00 0.00 54.79 54.18 1a8a n ASP 301 Cb 0.98 0.33 -0.08 0.00 -0.72 0.00 0.00 41.12 41.63 1a8a n ASP 301 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1a8a s THR 302 N -2.75 0.95 0.24 5.18 -4.23 -0.08 -4.85 115.64 110.10 1a8a s THR 302 Ca 0.16 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1a8a s THR 302 Cb 0.18 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 1a8a s THR 302 CO 0.64 0.00 0.33 -0.44 -0.54 0.00 0.00 174.62 174.61 1a8a s SER 303 N -3.74 0.21 0.96 3.99 0.01 -1.26 -4.87 113.70 109.01 1a8a s SER 303 Ca 0.16 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1a8a s SER 303 Cb 0.03 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1a8a s SER 303 CO 0.09 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1a8a n GLY 304 N -0.37 1.96 0.22 3.44 0.00 -1.26 -1.30 105.19 107.89 1a8a n GLY 304 Ca 0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1a8a n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a8a h ASP 305 N 9.47 0.85 -0.70 1.61 3.32 -1.99 -2.95 116.42 126.03 1a8a h ASP 305 Ca 0.00 -0.54 0.09 0.00 0.02 0.00 0.00 57.03 56.60 1a8a h ASP 305 Cb 0.00 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 39.19 1a8a h ASP 305 CO 0.00 1.33 -0.49 0.22 -1.72 0.00 0.00 179.24 178.58 1a8a h TYR 306 N 0.51 -1.50 -0.89 4.55 3.20 -1.93 0.17 116.97 121.08 1a8a h TYR 306 Ca -0.04 0.10 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1a8a h TYR 306 Cb 1.35 0.75 -0.06 0.00 1.54 0.00 0.00 36.73 40.31 1a8a h TYR 306 CO 0.08 -0.42 0.58 -0.22 -1.64 0.00 0.00 178.16 176.53 1a8a h LYS 307 N -0.18 0.97 -0.07 1.82 3.64 -1.16 0.73 116.57 122.33 1a8a h LYS 307 Ca 0.17 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.29 1a8a h LYS 307 Cb 0.54 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1a8a h LYS 307 CO -0.77 0.64 -0.81 0.87 -2.27 0.00 0.00 179.45 177.11 1a8a h LYS 308 N 1.00 0.50 -0.20 1.90 1.57 -0.94 -1.71 116.57 118.69 1a8a h LYS 308 Ca 0.38 -0.45 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1a8a h LYS 308 Cb 0.20 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a8a h LYS 308 CO -0.14 1.08 -0.47 0.00 -0.57 0.00 0.00 179.45 179.35 1a8a h ALA 309 N 0.78 0.32 -0.75 3.86 0.00 -0.40 -1.73 119.26 121.36 1a8a h ALA 309 Ca -0.05 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1a8a h ALA 309 Cb 1.42 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1a8a h ALA 309 CO 0.15 0.48 0.25 1.25 0.00 0.00 0.00 179.25 181.37 1a8a h LEU 310 N 0.36 1.08 -0.62 0.00 5.85 -0.72 -1.33 115.31 119.93 1a8a h LEU 310 Ca -0.00 -0.20 -0.15 0.00 0.84 0.00 0.00 57.88 58.37 1a8a h LEU 310 Cb 1.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1a8a h LEU 310 CO 0.10 0.99 -0.52 -0.07 -0.34 0.00 0.00 178.44 178.60 1a8a h LEU 311 N 1.10 0.50 -0.78 2.25 3.38 -1.22 0.12 115.31 120.66 1a8a h LEU 311 Ca 0.24 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1a8a h LEU 311 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a8a h LEU 311 CO -0.01 0.93 -0.54 -0.07 0.09 0.00 0.00 178.44 178.84 1a8a h LEU 312 N 0.35 0.21 0.14 1.67 -0.00 -1.08 -1.21 115.31 115.39 1a8a h LEU 312 Ca 0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1a8a h LEU 312 Cb 1.04 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1a8a h LEU 312 CO 0.09 0.71 -0.07 0.25 -0.00 0.00 0.00 178.44 179.43 1a8a h LEU 313 N 0.15 -0.16 0.58 1.67 5.85 -0.68 -3.32 115.31 119.40 1a8a h LEU 313 Ca 0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1a8a h LEU 313 Cb 1.00 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1a8a h LEU 313 CO 0.08 0.15 -0.41 0.00 -0.34 0.00 0.00 178.44 177.92 1a8a n GLY 315 N -1.54 2.79 3.25 0.00 0.00 -0.46 -4.91 105.19 104.32 1a8a n GLY 315 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1a8a n GLY 315 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a8a s GLY 316 N -1.80 1.10 -0.26 -0.02 0.00 -1.26 -5.06 107.32 100.01 1a8a s GLY 316 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1a8a s GLY 316 CO 0.00 -0.82 0.01 -0.54 0.00 0.00 0.00 173.10 171.75 1a8a s GLU 317 N -0.59 3.12 0.00 2.90 0.41 -1.26 -3.53 118.70 119.75 1a8a s GLU 317 Ca 0.09 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1a8a s GLU 317 Cb -0.09 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1a8a s GLU 317 CO -0.01 -0.36 0.00 -3.47 -0.49 0.00 0.00 175.26 170.93 1a8a n ASP 318 N 4.80 0.00 0.00 -0.19 2.03 -1.26 -5.17 116.55 116.76 1a8a n ASP 318 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1a8a n ASP 318 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1a8a n ASP 318 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38