#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si8 s HIS 5 N 0.00 3.46 0.17 1.08 3.76 -1.26 -5.06 115.29 117.43 1si8 s HIS 5 Ca 0.00 0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 55.10 1si8 s HIS 5 Cb 0.00 -2.24 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 1si8 s HIS 5 CO 0.00 0.30 1.32 -1.17 -0.85 0.00 0.00 174.74 174.34 1si8 s LEU 6 N 0.29 4.40 0.33 0.89 2.96 -1.26 -4.95 118.68 121.33 1si8 s LEU 6 Ca 0.13 2.35 0.03 0.00 -0.22 0.00 0.00 54.13 56.42 1si8 s LEU 6 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1si8 s LEU 6 CO 0.02 -0.55 0.08 0.42 -1.32 0.00 0.00 176.35 175.00 1si8 s THR 7 N 0.42 0.94 0.60 3.68 -4.23 -1.26 -0.22 115.64 115.58 1si8 s THR 7 Ca 0.59 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.03 1si8 s THR 7 Cb -0.36 -2.67 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1si8 s THR 7 CO 0.35 0.00 0.82 0.35 -0.54 0.00 0.00 174.62 175.61 1si8 n THR 8 N -0.69 0.00 0.52 3.99 -2.24 0.12 -4.81 114.28 111.17 1si8 n THR 8 Ca -0.03 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 60.99 1si8 n THR 8 Cb 0.66 -1.40 0.37 0.00 -2.10 0.00 0.00 70.33 67.86 1si8 n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1si8 n SER 9 N -3.31 0.14 -1.08 3.42 3.41 -1.26 -1.94 113.62 112.99 1si8 n SER 9 Ca 0.11 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 1si8 n SER 9 Cb 0.40 -0.56 0.26 0.00 -0.26 0.00 0.00 64.21 64.05 1si8 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1si8 n GLN 10 N -1.65 3.09 -0.92 4.33 1.13 -1.26 -4.96 117.38 117.13 1si8 n GLN 10 Ca 0.04 -2.52 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 1si8 n GLN 10 Cb 0.20 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1si8 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1si8 n GLY 11 N 0.77 0.60 3.76 1.08 0.00 -0.82 -5.03 105.19 105.55 1si8 n GLY 11 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1si8 n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1si8 s SER 12 N -2.15 7.23 0.50 1.61 0.15 -1.26 -4.73 113.70 115.04 1si8 s SER 12 Ca 0.00 1.47 -0.23 0.00 0.70 0.00 0.00 55.95 57.89 1si8 s SER 12 Cb 0.00 -2.46 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1si8 s SER 12 CO 0.00 0.08 1.29 -2.16 1.20 0.00 0.00 173.24 173.65 1si8 s PRO 13 N -0.38 3.45 -0.24 5.44 0.04 -1.26 0.15 135.00 142.19 1si8 s PRO 13 Ca 0.37 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 1si8 s PRO 13 Cb -0.21 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1si8 s PRO 13 CO 0.23 -0.89 0.27 0.08 0.04 0.00 0.00 177.00 176.73 1si8 s VAL 14 N -1.38 5.27 0.03 -0.36 1.01 0.70 -4.80 120.40 120.87 1si8 s VAL 14 Ca 0.67 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 1si8 s VAL 14 Cb -0.36 -3.60 -0.31 0.00 0.00 0.00 0.00 36.38 32.10 1si8 s VAL 14 CO 0.43 0.27 1.05 1.23 0.00 0.00 0.00 175.10 178.08 1si8 h GLY 15 N 7.92 0.63 -7.20 4.51 0.00 -1.95 -3.45 103.07 103.53 1si8 h GLY 15 Ca -0.36 -1.42 -0.39 0.00 0.00 0.00 0.00 47.33 45.16 1si8 h GLY 15 CO 0.65 1.25 -0.74 -0.35 0.00 0.00 0.00 176.54 177.35 1si8 s ASP 16 N -7.40 1.48 -0.07 0.19 -1.08 -1.26 -5.00 116.67 103.53 1si8 s ASP 16 Ca -0.10 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 51.97 1si8 s ASP 16 Cb 0.04 -0.14 0.53 0.00 -1.46 0.00 0.00 42.92 41.89 1si8 s ASP 16 CO 0.92 -0.28 1.45 -3.20 0.52 0.00 0.00 175.17 174.58 1si8 n ASN 17 N 5.30 3.87 -0.01 -0.34 5.15 -1.26 -4.42 115.26 123.55 1si8 n ASN 17 Ca -0.04 -2.36 -0.01 0.00 -0.60 0.00 0.00 54.58 51.57 1si8 n ASN 17 Cb 0.50 -0.44 -0.01 0.00 -0.53 0.00 0.00 39.78 39.29 1si8 n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 18 N 0.64 3.20 -5.00 1.20 1.13 -1.26 -5.04 117.38 112.25 1si8 n GLN 18 Ca 0.20 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.98 1si8 n GLN 18 Cb 0.70 -1.05 -0.16 0.00 0.11 0.00 0.00 30.24 29.84 1si8 n GLN 18 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1si8 s ASN 19 N -3.37 2.50 0.54 1.08 0.01 -1.26 -5.13 114.94 109.31 1si8 s ASN 19 Ca -0.01 -0.42 -0.17 0.00 -0.71 0.00 0.00 52.86 51.55 1si8 s ASN 19 Cb 0.01 -0.72 -0.06 0.00 0.41 0.00 0.00 41.25 40.89 1si8 s ASN 19 CO 0.08 0.18 1.02 -0.44 -1.51 0.00 0.00 177.10 176.44 1si8 s SER 20 N -0.01 6.22 0.12 -1.22 0.01 -1.26 -4.87 113.70 112.69 1si8 s SER 20 Ca -0.04 1.75 -0.31 0.00 1.31 0.00 0.00 55.95 58.66 1si8 s SER 20 Cb -0.13 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.49 1si8 s SER 20 CO 0.03 -0.87 1.37 -0.76 0.41 0.00 0.00 173.24 173.42 1si8 s LEU 21 N -4.10 4.38 0.04 2.44 1.43 -1.26 -4.99 118.68 116.61 1si8 s LEU 21 Ca 0.63 2.32 0.03 0.00 -1.03 0.00 0.00 54.13 56.07 1si8 s LEU 21 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1si8 s LEU 21 CO 0.31 -0.62 -0.09 0.28 0.23 0.00 0.00 176.35 176.45 1si8 s THR 22 N 0.96 0.62 -1.26 5.49 -1.32 -1.26 -1.49 115.64 117.38 1si8 s THR 22 Ca 0.63 -1.04 -0.16 0.00 -1.21 0.00 0.00 61.69 59.92 1si8 s THR 22 Cb -0.36 -0.66 0.12 0.00 -1.51 0.00 0.00 72.50 70.08 1si8 s THR 22 CO 0.31 -0.31 1.61 0.00 -2.21 0.00 0.00 174.62 174.03 1si8 n ALA 23 N 1.57 3.81 0.00 11.08 0.00 -0.49 -4.79 120.51 131.68 1si8 n ALA 23 Ca -0.22 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.17 1si8 n ALA 23 Cb 0.55 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1si8 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 24 N 4.67 0.81 0.33 0.00 0.00 -1.26 -3.49 105.19 106.25 1si8 n GLY 24 Ca 0.43 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.88 1si8 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1si8 h GLU 25 N 0.00 0.02 -0.35 1.61 4.81 -2.00 0.40 114.58 119.07 1si8 h GLU 25 Ca 0.00 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1si8 h GLU 25 Cb 0.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1si8 h GLU 25 CO 0.00 0.01 0.02 1.19 -0.73 0.00 0.00 179.01 179.50 1si8 n PHE 26 N -5.51 1.16 -2.40 0.92 3.01 -1.26 -5.02 117.46 108.35 1si8 n PHE 26 Ca 0.18 -1.16 -0.24 0.00 1.01 0.00 0.00 57.45 57.24 1si8 n PHE 26 Cb 0.60 -0.42 0.08 0.00 -0.01 0.00 0.00 39.48 39.73 1si8 n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1si8 s GLY 27 N -2.05 1.76 0.71 1.37 0.00 0.13 -5.04 107.32 104.19 1si8 s GLY 27 Ca 0.44 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 1si8 s GLY 27 CO 0.06 -0.84 1.14 2.56 0.00 0.00 0.00 173.10 176.02 1si8 s PRO 28 N -5.15 2.41 0.29 2.90 0.04 -1.26 -4.32 135.00 129.90 1si8 s PRO 28 Ca 0.62 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 1si8 s PRO 28 Cb -0.08 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1si8 s PRO 28 CO 0.44 -1.57 1.09 0.08 0.04 0.00 0.00 177.00 177.07 1si8 s VAL 29 N -2.32 3.53 0.03 -0.36 1.01 -1.26 -1.40 120.40 119.63 1si8 s VAL 29 Ca 0.68 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 64.02 1si8 s VAL 29 Cb -0.23 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1si8 s VAL 29 CO 0.45 0.34 0.46 -0.76 0.00 0.00 0.00 175.10 175.59 1si8 s LEU 30 N -1.52 4.48 0.53 3.92 1.43 -0.55 -4.93 118.68 122.04 1si8 s LEU 30 Ca 0.45 1.05 0.31 0.00 -1.03 0.00 0.00 54.13 54.91 1si8 s LEU 30 Cb -0.31 -2.72 1.43 0.00 0.03 0.00 0.00 46.19 44.63 1si8 s LEU 30 CO 0.40 0.30 2.03 -0.29 0.23 0.00 0.00 176.35 179.01 1si8 h ILE 31 N 3.58 0.31 0.00 -0.59 2.10 -1.96 -2.71 117.51 118.25 1si8 h ILE 31 Ca -0.51 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 64.84 1si8 h ILE 31 Cb 1.22 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.40 1si8 h ILE 31 CO 0.62 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.78 1si8 n GLN 32 N -3.33 0.70 -2.41 2.19 10.64 -1.26 -4.19 117.38 119.71 1si8 n GLN 32 Ca -0.01 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.73 1si8 n GLN 32 Cb 0.28 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 1si8 n GLN 32 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1si8 n ASP 33 N -0.90 4.73 0.04 2.61 -0.08 -1.02 -4.75 116.55 117.18 1si8 n ASP 33 Ca 0.13 -2.93 0.09 0.00 -1.51 0.00 0.00 54.79 50.58 1si8 n ASP 33 Cb 0.06 -1.67 0.53 0.00 2.34 0.00 0.00 41.12 42.38 1si8 n ASP 33 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1si8 h VAL 34 N 4.86 0.98 -0.29 5.18 -1.51 -1.89 -2.06 116.25 121.52 1si8 h VAL 34 Ca 0.45 -0.11 -0.16 0.00 -1.23 0.00 0.00 66.70 65.66 1si8 h VAL 34 Cb 0.79 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1si8 h VAL 34 CO 1.55 0.06 -0.45 -0.74 -1.23 0.00 0.00 177.57 176.76 1si8 h HIS 35 N 0.32 0.91 -0.06 5.19 -0.00 -1.95 -0.15 115.15 119.40 1si8 h HIS 35 Ca 0.16 -0.29 0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1si8 h HIS 35 Cb 0.24 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1si8 h HIS 35 CO -0.00 1.06 -0.03 1.25 -0.00 0.00 0.00 177.93 180.21 1si8 h LEU 36 N 0.60 -0.10 -0.00 0.26 5.85 -1.79 0.16 115.31 120.29 1si8 h LEU 36 Ca 0.04 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1si8 h LEU 36 Cb 1.00 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1si8 h LEU 36 CO 0.10 -0.04 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.93 1si8 h LEU 37 N -0.03 -0.45 -0.27 2.25 4.07 -1.33 -1.46 115.31 118.08 1si8 h LEU 37 Ca 0.03 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.07 1si8 h LEU 37 Cb 0.08 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1si8 h LEU 37 CO -0.08 -0.22 0.15 -0.08 -1.08 0.00 0.00 178.44 177.14 1si8 h GLU 38 N -0.26 0.30 -0.52 1.13 4.81 -0.71 0.10 114.58 119.43 1si8 h GLU 38 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1si8 h GLU 38 Cb 0.32 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1si8 h GLU 38 CO -0.15 0.20 0.35 -0.22 -0.73 0.00 0.00 179.01 178.46 1si8 h LYS 39 N 0.31 0.69 -0.39 1.92 3.64 -0.53 -0.27 116.57 121.94 1si8 h LYS 39 Ca 0.11 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1si8 h LYS 39 Cb 0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1si8 h LYS 39 CO -0.06 0.45 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.31 1si8 h LEU 40 N 0.71 0.85 -0.69 5.20 4.07 -1.08 -2.24 115.31 122.13 1si8 h LEU 40 Ca 0.19 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.64 1si8 h LEU 40 Cb -0.08 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 1si8 h LEU 40 CO -0.04 1.07 -0.07 0.00 -1.08 0.00 0.00 178.44 178.32 1si8 h ALA 41 N 0.81 0.89 -0.20 1.53 0.00 -0.46 0.23 119.26 122.05 1si8 h ALA 41 Ca 0.09 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1si8 h ALA 41 Cb 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1si8 h ALA 41 CO 0.06 0.64 -0.60 1.25 0.00 0.00 0.00 179.25 180.60 1si8 h HIS 42 N 0.85 0.87 -0.71 0.00 -0.00 -1.06 -2.75 115.15 112.35 1si8 h HIS 42 Ca 0.15 -0.33 0.01 0.00 -0.00 0.00 0.00 60.37 60.20 1si8 h HIS 42 Cb 0.60 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 1si8 h HIS 42 CO 0.04 1.11 0.47 0.35 -0.00 0.00 0.00 177.93 179.89 1si8 h PHE 43 N 0.51 0.88 0.00 5.26 3.57 -1.16 -1.60 116.94 124.40 1si8 h PHE 43 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1si8 h PHE 43 Cb 1.19 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1si8 h PHE 43 CO 0.06 0.54 0.00 -0.91 -2.23 0.00 0.00 178.31 175.77 1si8 h ASN 44 N 0.94 0.00 -0.34 0.41 2.35 -0.67 -2.65 115.58 115.63 1si8 h ASN 44 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1si8 h ASN 44 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1si8 h ASN 44 CO -0.07 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.25 1si8 n ARG 45 N -2.94 2.97 0.06 0.81 1.74 -0.62 -4.64 116.66 114.04 1si8 n ARG 45 Ca -0.02 -2.44 0.01 0.00 -0.77 0.00 0.00 57.85 54.63 1si8 n ARG 45 Cb 0.10 -1.55 0.34 0.00 -1.02 0.00 0.00 32.46 30.33 1si8 n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1si8 h GLU 46 N 2.10 0.38 -6.52 5.56 5.08 -1.28 -3.44 114.58 116.46 1si8 h GLU 46 Ca 0.00 -0.08 -0.52 0.00 -1.00 0.00 0.00 59.36 57.75 1si8 h GLU 46 Cb 1.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1si8 h GLU 46 CO 0.11 0.46 0.21 1.03 -1.00 0.00 0.00 179.01 179.82 1si8 s ARG 47 N -4.84 4.60 0.28 2.33 1.81 -1.26 -5.07 118.95 116.80 1si8 s ARG 47 Ca -0.06 1.21 0.08 0.00 -1.72 0.00 0.00 55.73 55.24 1si8 s ARG 47 Cb 0.15 -3.29 -0.06 0.00 -0.45 0.00 0.00 34.95 31.31 1si8 s ARG 47 CO 0.75 0.49 -0.11 0.14 -0.68 0.00 0.00 175.30 175.89 1si8 s VAL 48 N -0.89 1.93 0.33 3.52 -7.23 -1.26 -5.10 120.40 111.70 1si8 s VAL 48 Ca 0.38 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 1si8 s VAL 48 Cb -0.23 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 1si8 s VAL 48 CO 0.27 -0.36 1.33 -2.16 -0.31 0.00 0.00 175.10 173.87 1si8 s PRO 49 N -3.65 4.33 0.74 4.82 0.04 -1.26 -4.98 135.00 135.03 1si8 s PRO 49 Ca 0.29 2.26 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 1si8 s PRO 49 Cb 0.01 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.52 1si8 s PRO 49 CO 0.12 -0.24 1.08 -1.83 0.04 0.00 0.00 177.00 176.17 1si8 s GLU 50 N -1.73 2.60 0.37 4.56 -1.05 -1.26 -4.93 118.70 117.27 1si8 s GLU 50 Ca 0.50 0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 55.76 1si8 s GLU 50 Cb -0.41 -1.97 -0.11 0.00 -0.44 0.00 0.00 34.13 31.20 1si8 s GLU 50 CO 0.53 -1.28 1.48 0.54 0.95 0.00 0.00 175.26 177.49 1si8 n ARG 51 N -3.21 2.66 0.15 -4.83 1.74 -1.26 -4.86 116.66 107.04 1si8 n ARG 51 Ca 0.07 0.93 0.13 0.00 -0.77 0.00 0.00 57.85 58.22 1si8 n ARG 51 Cb 0.55 -2.66 0.66 0.00 -1.02 0.00 0.00 32.46 30.00 1si8 n ARG 51 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1si8 h VAL 52 N 2.94 0.88 -4.07 1.55 3.04 -1.98 -3.38 116.25 115.23 1si8 h VAL 52 Ca -0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.07 1si8 h VAL 52 Cb 1.24 0.88 -0.15 0.00 -2.01 0.00 0.00 31.29 31.25 1si8 h VAL 52 CO 0.64 0.00 -0.58 0.68 -1.01 0.00 0.00 177.57 177.30 1si8 s VAL 53 N -5.04 0.19 -1.43 1.51 -7.23 -1.26 -4.89 120.40 102.24 1si8 s VAL 53 Ca -0.05 -1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1si8 s VAL 53 Cb 0.18 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.77 1si8 s VAL 53 CO 0.70 -0.85 0.60 1.41 -0.31 0.00 0.00 175.10 176.65 1si8 n HIS 54 N 0.19 -1.87 -0.20 2.82 -0.00 -0.29 -4.91 115.22 110.95 1si8 n HIS 54 Ca -0.15 0.51 -0.08 0.00 -0.00 0.00 0.00 57.72 58.00 1si8 n HIS 54 Cb 0.61 -4.29 0.05 0.00 -0.00 0.00 0.00 29.99 26.37 1si8 n HIS 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1si8 h ALA 55 N 0.93 0.90 -1.94 -1.41 0.00 -1.73 -3.41 119.26 112.59 1si8 h ALA 55 Ca -0.49 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 53.49 1si8 h ALA 55 Cb 1.34 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 1si8 h ALA 55 CO 0.53 0.66 0.40 0.21 0.00 0.00 0.00 179.25 181.05 1si8 s LYS 56 N -5.05 3.31 0.32 0.00 2.47 -1.25 -4.71 119.74 114.83 1si8 s LYS 56 Ca -0.11 -0.34 -0.01 0.00 -1.56 0.00 0.00 55.97 53.95 1si8 s LYS 56 Cb 0.14 -4.03 -0.01 0.00 -1.46 0.00 0.00 37.83 32.48 1si8 s LYS 56 CO 0.85 -1.32 0.41 0.20 0.16 0.00 0.00 175.35 175.64 1si8 s GLY 57 N 2.60 1.61 0.03 5.54 0.00 -1.26 -2.57 107.32 113.27 1si8 s GLY 57 Ca 0.27 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1si8 s GLY 57 CO 0.19 -1.11 -0.04 0.00 0.00 0.00 0.00 173.10 172.14 1si8 s ALA 58 N -3.27 0.29 0.21 3.20 0.00 -0.09 -4.97 121.76 117.13 1si8 s ALA 58 Ca 0.33 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1si8 s ALA 58 Cb 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1si8 s ALA 58 CO 0.21 -0.15 0.07 0.20 0.00 0.00 0.00 175.76 176.08 1si8 s GLY 59 N -1.69 1.43 -0.13 0.00 0.00 -1.26 -0.37 107.32 105.30 1si8 s GLY 59 Ca -0.11 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 1si8 s GLY 59 CO -0.02 -1.51 0.87 0.00 0.00 0.00 0.00 173.10 172.44 1si8 s ALA 60 N -3.82 -1.87 0.36 3.20 0.00 -0.65 -4.49 121.76 114.48 1si8 s ALA 60 Ca 0.32 1.51 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 1si8 s ALA 60 Cb 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1si8 s ALA 60 CO 0.09 -0.33 0.67 -1.01 0.00 0.00 0.00 175.76 175.17 1si8 s HIS 61 N -1.06 3.48 0.00 0.00 3.76 0.13 -1.32 115.29 120.28 1si8 s HIS 61 Ca -0.05 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1si8 s HIS 61 Cb -0.01 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1si8 s HIS 61 CO 0.04 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 1si8 n GLY 62 N -1.23 2.35 3.21 -2.22 0.00 -0.12 -1.47 105.19 105.71 1si8 n GLY 62 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1si8 n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1si8 s ILE 63 N -2.38 0.12 -0.07 -0.61 -4.36 0.08 -1.53 121.20 112.45 1si8 s ILE 63 Ca 0.00 -0.99 0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1si8 s ILE 63 Cb 0.00 -1.15 -0.00 0.00 1.25 0.00 0.00 42.46 42.56 1si8 s ILE 63 CO 0.00 -0.54 -0.21 0.12 0.24 0.00 0.00 174.94 174.54 1si8 s PHE 64 N -3.30 2.16 -0.12 1.37 5.36 0.04 -0.83 117.98 122.66 1si8 s PHE 64 Ca 0.01 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.25 1si8 s PHE 64 Cb 0.02 -1.45 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 1si8 s PHE 64 CO -0.08 -0.27 -0.16 0.21 -1.46 0.00 0.00 175.22 173.46 1si8 s LYS 65 N 0.15 2.34 0.10 10.12 2.20 0.03 -1.01 119.74 133.66 1si8 s LYS 65 Ca -0.10 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 1si8 s LYS 65 Cb -0.15 -2.01 -0.07 0.00 -1.51 0.00 0.00 37.83 34.09 1si8 s LYS 65 CO 0.05 -0.10 1.28 0.08 -0.36 0.00 0.00 175.35 176.30 1si8 s VAL 66 N 1.10 3.66 -0.12 4.02 1.01 -0.53 -0.70 120.40 128.83 1si8 s VAL 66 Ca -0.04 1.21 0.14 0.00 0.00 0.00 0.00 61.98 63.29 1si8 s VAL 66 Cb -0.14 -3.78 -0.20 0.00 0.00 0.00 0.00 36.38 32.26 1si8 s VAL 66 CO -0.04 0.11 0.11 -1.54 0.00 0.00 0.00 175.10 173.74 1si8 n SER 67 N 3.76 1.35 -3.74 3.32 3.41 0.58 0.67 113.62 122.98 1si8 n SER 67 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.50 1si8 n SER 67 Cb 0.44 1.04 -0.17 0.00 -0.26 0.00 0.00 64.21 65.26 1si8 n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1si8 s GLN 68 N -2.51 0.24 0.44 4.33 -0.21 -0.71 -4.78 119.66 116.46 1si8 s GLN 68 Ca -0.07 0.22 -0.25 0.00 0.02 0.00 0.00 55.36 55.27 1si8 s GLN 68 Cb 0.06 -0.66 -0.08 0.00 1.00 0.00 0.00 33.01 33.32 1si8 s GLN 68 CO 0.62 -0.28 1.40 0.45 -2.12 0.00 0.00 175.29 175.36 1si8 s SER 69 N 1.85 5.98 -0.10 5.90 0.15 -1.26 -4.71 113.70 121.51 1si8 s SER 69 Ca 0.02 2.86 0.13 0.00 0.70 0.00 0.00 55.95 59.66 1si8 s SER 69 Cb -0.12 -2.65 0.34 0.00 -1.71 0.00 0.00 66.02 61.87 1si8 s SER 69 CO -0.04 -1.10 1.25 0.23 1.20 0.00 0.00 173.24 174.79 1si8 n MET 70 N -0.11 2.56 -0.04 5.44 0.00 -0.79 -4.74 117.12 119.44 1si8 n MET 70 Ca 0.05 -2.38 0.24 0.00 0.00 0.00 0.00 57.70 55.61 1si8 n MET 70 Cb 0.42 -1.49 0.71 0.00 0.00 0.00 0.00 33.22 32.86 1si8 n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1si8 h ALA 71 N 1.18 2.48 0.00 3.04 0.00 -1.71 0.20 119.26 124.45 1si8 h ALA 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1si8 h ALA 71 Cb 1.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1si8 h ALA 71 CO 0.08 -0.92 0.00 -0.56 0.00 0.00 0.00 179.25 177.85 1si8 h GLN 72 N 0.00 0.00 0.00 0.00 3.07 -1.96 -3.32 115.11 112.90 1si8 h GLN 72 Ca 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.95 1si8 h GLN 72 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.02 1si8 h GLN 72 CO -0.00 0.00 -1.45 0.66 0.09 0.00 0.00 178.83 178.13 1si8 n TYR 73 N -2.56 0.00 -3.75 0.06 4.01 0.57 -4.81 117.16 110.68 1si8 n TYR 73 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 1si8 n TYR 73 Cb 0.34 -0.31 -0.10 0.00 -0.31 0.00 0.00 39.34 38.96 1si8 n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1si8 s THR 74 N -2.23 0.02 -1.95 -0.72 -1.32 -0.36 -3.05 115.64 106.04 1si8 s THR 74 Ca -0.03 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.37 1si8 s THR 74 Cb 0.02 -0.56 0.24 0.00 -1.51 0.00 0.00 72.50 70.70 1si8 s THR 74 CO 0.29 -0.09 1.19 2.29 -2.21 0.00 0.00 174.62 176.09 1si8 n LYS 75 N 2.29 1.66 -1.64 7.08 2.85 -0.52 -3.92 118.16 125.97 1si8 n LYS 75 Ca -0.16 -0.99 -0.51 0.00 -1.05 0.00 0.00 58.31 55.59 1si8 n LYS 75 Cb 0.57 -1.23 -0.06 0.00 -0.65 0.00 0.00 35.03 33.66 1si8 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1si8 n ALA 76 N 0.30 0.64 -0.25 0.58 0.00 -1.19 -4.75 120.51 115.84 1si8 n ALA 76 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1si8 n ALA 76 Cb 0.24 -2.44 0.12 0.00 0.00 0.00 0.00 19.45 17.37 1si8 n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1si8 h ASP 77 N 9.55 0.53 0.33 0.00 1.82 -1.91 -2.18 116.42 124.56 1si8 h ASP 77 Ca -0.43 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1si8 h ASP 77 Cb 1.30 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1si8 h ASP 77 CO 0.97 0.33 0.00 2.22 -1.61 0.00 0.00 179.24 181.15 1si8 n PHE 78 N -4.81 0.00 -0.90 0.28 -1.74 -1.26 -2.02 117.46 107.01 1si8 n PHE 78 Ca 0.10 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.07 1si8 n PHE 78 Cb 0.22 -0.44 0.15 0.00 1.52 0.00 0.00 39.48 40.94 1si8 n PHE 78 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1si8 n LEU 79 N -1.44 2.67 0.04 5.98 4.77 -0.83 -4.79 117.00 123.40 1si8 n LEU 79 Ca 0.03 -2.91 -0.16 0.00 -0.03 0.00 0.00 56.01 52.95 1si8 n LEU 79 Cb 0.12 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1si8 n LEU 79 CO 0.10 0.68 0.18 0.77 -1.33 0.00 0.00 177.39 177.79 1si8 h SER 80 N 0.47 0.71 -3.73 -1.43 4.64 -1.31 -2.11 113.55 110.78 1si8 h SER 80 Ca 0.00 -0.54 -0.56 0.00 -0.47 0.00 0.00 61.79 60.22 1si8 h SER 80 Cb 1.03 -0.22 -0.19 0.00 -0.31 0.00 0.00 62.40 62.71 1si8 h SER 80 CO 0.05 1.33 -0.81 -1.61 -0.87 0.00 0.00 176.83 174.93 1si8 s GLU 81 N -3.39 1.26 0.24 4.77 2.02 -1.26 -4.54 118.70 117.80 1si8 s GLU 81 Ca -0.08 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.28 1si8 s GLU 81 Cb 0.08 -1.43 -0.09 0.00 0.10 0.00 0.00 34.13 32.79 1si8 s GLU 81 CO 0.89 0.31 1.30 0.08 0.02 0.00 0.00 175.26 177.86 1si8 s VAL 82 N -1.67 3.06 0.00 2.63 1.01 -1.26 -2.28 120.40 121.89 1si8 s VAL 82 Ca 0.13 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1si8 s VAL 82 Cb -0.08 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1si8 s VAL 82 CO 0.06 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1si8 n GLY 83 N 1.88 1.93 3.71 4.51 0.00 0.21 -4.97 105.19 112.47 1si8 n GLY 83 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1si8 n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1si8 s LYS 84 N -0.20 4.17 -0.10 1.61 2.20 -0.97 -4.60 119.74 121.86 1si8 s LYS 84 Ca 0.00 2.48 -0.03 0.00 -0.36 0.00 0.00 55.97 58.06 1si8 s LYS 84 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1si8 s LYS 84 CO 0.00 -0.72 0.03 -1.21 -0.36 0.00 0.00 175.35 173.09 1si8 s GLU 85 N 1.75 3.16 -0.05 4.03 2.02 -1.26 -1.46 118.70 126.90 1si8 s GLU 85 Ca 0.74 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.39 1si8 s GLU 85 Cb -0.45 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 30.89 1si8 s GLU 85 CO 0.33 0.68 -0.03 0.99 0.02 0.00 0.00 175.26 177.25 1si8 s THR 86 N -0.80 0.45 0.52 3.63 2.01 -0.18 -4.96 115.64 116.31 1si8 s THR 86 Ca 0.12 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1si8 s THR 86 Cb -0.12 -0.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.83 1si8 s THR 86 CO 0.03 0.22 1.21 -2.84 -0.69 0.00 0.00 174.62 172.54 1si8 s PRO 87 N 1.08 3.37 0.16 4.92 0.02 -1.26 -0.78 135.00 142.51 1si8 s PRO 87 Ca -0.09 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 62.68 1si8 s PRO 87 Cb -0.14 -2.20 0.01 0.00 0.02 0.00 0.00 34.50 32.19 1si8 s PRO 87 CO -0.01 -0.90 0.35 -0.48 -0.33 0.00 0.00 177.00 175.63 1si8 s LEU 88 N -3.50 0.71 -0.02 -5.54 0.05 -0.58 -1.51 118.68 108.28 1si8 s LEU 88 Ca 0.70 -0.68 0.02 0.00 0.05 0.00 0.00 54.13 54.22 1si8 s LEU 88 Cb -0.31 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.34 1si8 s LEU 88 CO 0.36 -0.92 -0.07 0.12 -0.55 0.00 0.00 176.35 175.29 1si8 s PHE 89 N -3.91 0.78 0.11 3.48 5.36 -0.53 -0.95 117.98 122.33 1si8 s PHE 89 Ca 0.12 -0.18 0.09 0.00 -0.96 0.00 0.00 56.93 56.00 1si8 s PHE 89 Cb 0.02 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 42.10 1si8 s PHE 89 CO -0.03 -0.08 -0.22 0.00 -1.46 0.00 0.00 175.22 173.42 1si8 s ALA 90 N 0.20 1.95 -0.05 11.12 0.00 -0.43 -0.83 121.76 133.72 1si8 s ALA 90 Ca -0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1si8 s ALA 90 Cb -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1si8 s ALA 90 CO 0.00 0.39 -0.00 0.50 0.00 0.00 0.00 175.76 176.65 1si8 s ARG 91 N -2.00 0.50 0.12 0.00 3.52 -0.31 -1.64 118.95 119.14 1si8 s ARG 91 Ca 0.09 0.08 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 1si8 s ARG 91 Cb -0.10 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 1si8 s ARG 91 CO 0.05 -0.21 0.03 -0.06 -0.81 0.00 0.00 175.30 174.30 1si8 s PHE 92 N 1.51 3.01 0.15 5.12 0.08 0.50 -1.66 117.98 126.68 1si8 s PHE 92 Ca -0.02 -0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.75 1si8 s PHE 92 Cb -0.13 -1.51 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1si8 s PHE 92 CO -0.03 0.50 1.03 -1.54 -0.10 0.00 0.00 175.22 175.07 1si8 s SER 93 N -2.58 -0.09 0.11 1.36 1.04 -1.11 -0.91 113.70 111.52 1si8 s SER 93 Ca 0.27 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1si8 s SER 93 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1si8 s SER 93 CO 0.20 -0.88 0.00 0.35 0.98 0.00 0.00 173.24 173.88 1si8 n THR 94 N -0.57 0.00 -0.01 2.02 -2.24 -1.06 0.78 114.28 113.20 1si8 n THR 94 Ca -0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1si8 n THR 94 Cb 0.60 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 1si8 n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1si8 n VAL 95 N -1.01 1.13 0.10 2.28 0.31 -1.24 -3.70 118.33 116.20 1si8 n VAL 95 Ca 0.00 0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 64.33 1si8 n VAL 95 Cb 0.00 -1.79 -0.13 0.00 -0.91 0.00 0.00 33.84 31.01 1si8 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1si8 h ALA 96 N -0.33 -0.01 -2.82 3.52 0.00 -1.92 -0.77 119.26 116.94 1si8 h ALA 96 Ca -0.06 -0.80 -0.56 0.00 0.00 0.00 0.00 54.91 53.49 1si8 h ALA 96 Cb 0.54 0.11 0.14 0.00 0.00 0.00 0.00 17.79 18.58 1si8 h ALA 96 CO -0.03 0.72 0.44 0.41 0.00 0.00 0.00 179.25 180.79 1si8 n GLY 97 N 1.43 0.41 3.80 0.00 0.00 -1.26 -4.92 105.19 104.65 1si8 n GLY 97 Ca -0.13 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1si8 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1si8 n GLU 98 N -0.50 -0.91 -0.35 1.61 4.71 -1.26 -3.94 120.64 120.00 1si8 n GLU 98 Ca 0.09 -2.22 0.23 0.00 -0.01 0.00 0.00 57.16 55.25 1si8 n GLU 98 Cb 0.43 -1.13 0.48 0.00 -1.01 0.00 0.00 31.44 30.20 1si8 n GLU 98 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1si8 h LEU 99 N 0.00 0.51 -1.83 -4.62 3.38 -1.96 -1.62 115.31 109.17 1si8 h LEU 99 Ca -0.39 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1si8 h LEU 99 Cb 1.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1si8 h LEU 99 CO 0.31 -0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1si8 n GLY 100 N -1.38 1.12 3.75 0.83 0.00 -1.26 -4.83 105.19 103.42 1si8 n GLY 100 Ca 0.29 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1si8 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1si8 s SER 101 N -1.58 4.17 0.54 1.61 1.04 -0.61 -5.02 113.70 113.85 1si8 s SER 101 Ca 0.35 1.91 -0.17 0.00 0.48 0.00 0.00 55.95 58.53 1si8 s SER 101 Cb 0.21 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 1si8 s SER 101 CO 0.30 -2.26 1.01 -0.44 0.98 0.00 0.00 173.24 172.82 1si8 s SER 102 N -3.21 6.34 0.01 7.02 0.01 -1.26 -4.88 113.70 117.73 1si8 s SER 102 Ca 0.63 1.68 -0.19 0.00 1.31 0.00 0.00 55.95 59.37 1si8 s SER 102 Cb -0.18 -2.52 -0.21 0.00 0.21 0.00 0.00 66.02 63.31 1si8 s SER 102 CO 0.56 -0.78 1.15 0.44 0.41 0.00 0.00 173.24 175.02 1si8 h ASP 103 N 0.84 0.53 0.00 2.44 3.32 -1.18 -3.38 116.42 118.99 1si8 h ASP 103 Ca -0.47 -0.71 -0.24 0.00 0.02 0.00 0.00 57.03 55.63 1si8 h ASP 103 Cb 1.20 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1si8 h ASP 103 CO 0.60 1.16 0.44 0.35 -1.72 0.00 0.00 179.24 180.07 1si8 n THR 104 N -4.26 2.75 -4.16 0.35 -2.24 -1.26 -4.88 114.28 100.58 1si8 n THR 104 Ca -0.09 -1.44 -0.22 0.00 -2.27 0.00 0.00 64.05 60.02 1si8 n THR 104 Cb 0.62 -2.02 -0.05 0.00 -2.10 0.00 0.00 70.33 66.78 1si8 n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1si8 s LEU 105 N 0.03 3.65 -0.15 3.22 1.43 -1.26 -4.47 118.68 121.13 1si8 s LEU 105 Ca 0.57 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1si8 s LEU 105 Cb 0.25 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1si8 s LEU 105 CO -0.01 -0.02 1.14 -0.60 0.23 0.00 0.00 176.35 177.09 1si8 s ARG 106 N -3.75 4.31 0.00 1.70 3.52 -1.26 -4.71 118.95 118.76 1si8 s ARG 106 Ca 0.32 1.53 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1si8 s ARG 106 Cb -0.08 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1si8 s ARG 106 CO 0.23 -0.55 0.00 -3.47 -0.81 0.00 0.00 175.30 170.71 1si8 n ASP 107 N 5.88 0.00 -4.79 -2.12 2.03 -1.02 -5.04 116.55 111.50 1si8 n ASP 107 Ca 0.12 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.12 1si8 n ASP 107 Cb 0.46 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.94 1si8 n ASP 107 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1si8 s PRO 108 N -2.00 2.43 -0.08 -0.67 0.02 -1.26 -4.73 135.00 128.72 1si8 s PRO 108 Ca 0.00 0.97 0.03 0.00 0.02 0.00 0.00 61.00 62.02 1si8 s PRO 108 Cb 0.00 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1si8 s PRO 108 CO 0.00 -1.47 -0.16 1.03 -0.33 0.00 0.00 177.00 176.07 1si8 s ARG 109 N -5.00 2.80 0.39 5.54 1.81 -1.26 -3.72 118.95 119.50 1si8 s ARG 109 Ca 0.60 -0.73 -0.24 0.00 -1.72 0.00 0.00 55.73 53.63 1si8 s ARG 109 Cb -0.16 -2.42 -0.09 0.00 -0.45 0.00 0.00 34.95 31.84 1si8 s ARG 109 CO 0.55 0.44 1.03 0.20 -0.68 0.00 0.00 175.30 176.85 1si8 s GLY 110 N -0.27 2.73 -0.43 -3.53 0.00 0.23 -0.87 107.32 105.19 1si8 s GLY 110 Ca 0.01 0.67 0.07 0.00 0.00 0.00 0.00 44.72 45.46 1si8 s GLY 110 CO 0.03 1.09 0.48 0.33 0.00 0.00 0.00 173.10 175.03 1si8 n PHE 111 N 0.01 -0.11 -3.33 1.90 -0.00 0.92 -2.77 117.46 114.08 1si8 n PHE 111 Ca 0.05 -3.55 -0.38 0.00 -0.00 0.00 0.00 57.45 53.56 1si8 n PHE 111 Cb 0.50 -0.19 -0.06 0.00 -0.00 0.00 0.00 39.48 39.73 1si8 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1si8 s ALA 112 N -0.91 3.49 -0.05 3.13 0.00 -0.67 -1.74 121.76 125.02 1si8 s ALA 112 Ca 0.34 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1si8 s ALA 112 Cb 0.12 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1si8 s ALA 112 CO -0.13 0.04 -0.14 -0.51 0.00 0.00 0.00 175.76 175.02 1si8 s LEU 113 N 0.50 1.80 -0.23 0.00 1.02 0.11 -1.16 118.68 120.71 1si8 s LEU 113 Ca 0.25 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.13 1si8 s LEU 113 Cb -0.15 -0.82 0.05 0.00 0.02 0.00 0.00 46.19 45.28 1si8 s LEU 113 CO 0.10 0.09 -0.13 -0.75 0.02 0.00 0.00 176.35 175.69 1si8 s LYS 114 N 0.28 2.36 -0.27 1.70 2.20 -0.01 -0.42 119.74 125.59 1si8 s LYS 114 Ca -0.07 -1.13 -0.14 0.00 -0.36 0.00 0.00 55.97 54.27 1si8 s LYS 114 Cb -0.12 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1si8 s LYS 114 CO 0.02 -0.46 0.32 -0.06 -0.36 0.00 0.00 175.35 174.81 1si8 s PHE 115 N 1.20 3.24 -1.20 4.03 0.40 0.12 -1.45 117.98 124.32 1si8 s PHE 115 Ca -0.04 0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.47 1si8 s PHE 115 Cb -0.18 -2.52 0.14 0.00 0.51 0.00 0.00 43.02 40.97 1si8 s PHE 115 CO -0.07 -0.20 1.49 0.71 0.70 0.00 0.00 175.22 177.84 1si8 s TYR 116 N 1.96 3.25 0.68 0.36 2.02 -0.57 -0.72 117.35 124.33 1si8 s TYR 116 Ca 0.13 -1.91 -0.06 0.00 -0.37 0.00 0.00 57.07 54.86 1si8 s TYR 116 Cb -0.16 -4.44 0.05 0.00 -0.40 0.00 0.00 41.96 37.01 1si8 s TYR 116 CO 0.10 -1.53 0.98 0.95 -1.57 0.00 0.00 175.55 174.48 1si8 s THR 117 N 2.47 2.48 -1.38 -0.71 -4.23 -1.01 -4.39 115.64 108.88 1si8 s THR 117 Ca 0.45 -0.26 0.21 0.00 -1.18 0.00 0.00 61.69 60.91 1si8 s THR 117 Cb -0.01 -3.06 0.35 0.00 1.34 0.00 0.00 72.50 71.12 1si8 s THR 117 CO 0.01 -0.06 1.68 0.47 -0.54 0.00 0.00 174.62 176.18 1si8 n ASP 118 N -2.84 0.00 -0.64 3.99 8.00 -1.26 -2.68 116.55 121.13 1si8 n ASP 118 Ca 0.08 0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.68 1si8 n ASP 118 Cb 0.60 -0.31 0.18 0.00 -0.02 0.00 0.00 41.12 41.57 1si8 n ASP 118 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1si8 n GLU 119 N -1.31 1.39 0.00 -1.24 1.02 -1.26 -4.70 120.64 114.54 1si8 n GLU 119 Ca 0.09 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 1si8 n GLU 119 Cb 0.18 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1si8 n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1si8 n GLY 120 N -0.98 2.85 3.67 0.62 0.00 -1.09 -4.62 105.19 105.65 1si8 n GLY 120 Ca 0.17 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1si8 n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 121 N 0.00 7.14 -0.22 1.61 0.02 -1.26 -2.40 114.94 119.84 1si8 s ASN 121 Ca 0.00 1.50 -0.08 0.00 -1.02 0.00 0.00 52.86 53.26 1si8 s ASN 121 Cb 0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.68 1si8 s ASN 121 CO 0.00 -0.58 0.08 -0.47 0.02 0.00 0.00 177.10 176.15 1si8 s TYR 122 N 2.66 3.18 -0.14 2.20 6.04 0.10 -4.60 117.35 126.80 1si8 s TYR 122 Ca 0.47 -0.12 -0.03 0.00 0.04 0.00 0.00 57.07 57.44 1si8 s TYR 122 Cb -0.18 -2.18 -0.03 0.00 -1.04 0.00 0.00 41.96 38.54 1si8 s TYR 122 CO 0.13 -0.09 -0.02 -0.51 -1.54 0.00 0.00 175.55 173.52 1si8 s ASP 123 N 1.03 4.94 -0.36 4.32 1.01 -0.89 0.11 116.67 126.83 1si8 s ASP 123 Ca 0.04 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.27 1si8 s ASP 123 Cb -0.14 -1.69 0.10 0.00 1.01 0.00 0.00 42.92 42.20 1si8 s ASP 123 CO 0.03 0.22 0.09 -0.22 0.21 0.00 0.00 175.17 175.51 1si8 s LEU 124 N 0.04 4.80 -0.91 1.23 1.98 0.44 -4.63 118.68 121.63 1si8 s LEU 124 Ca 0.01 -2.01 -0.13 0.00 -2.89 0.00 0.00 54.13 49.11 1si8 s LEU 124 Cb -0.13 -1.70 0.24 0.00 0.66 0.00 0.00 46.19 45.26 1si8 s LEU 124 CO 0.02 -0.42 0.87 -0.69 -1.89 0.00 0.00 176.35 174.25 1si8 s VAL 125 N 1.02 5.73 0.03 1.68 1.01 -1.26 -0.71 120.40 127.90 1si8 s VAL 125 Ca 0.08 -2.76 0.00 0.00 0.00 0.00 0.00 61.98 59.30 1si8 s VAL 125 Cb -0.20 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1si8 s VAL 125 CO -0.06 -1.08 0.02 0.61 0.00 0.00 0.00 175.10 174.59 1si8 n GLY 126 N 3.58 3.12 3.46 4.51 0.00 -0.71 -4.95 105.19 114.21 1si8 n GLY 126 Ca 0.17 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 1si8 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 127 N -1.18 2.41 -0.07 1.61 0.01 -0.92 -0.06 114.94 116.74 1si8 s ASN 127 Ca 0.02 -1.50 0.04 0.00 -0.71 0.00 0.00 52.86 50.71 1si8 s ASN 127 Cb -0.00 0.20 0.24 0.00 0.41 0.00 0.00 41.25 42.10 1si8 s ASN 127 CO 0.01 -0.76 0.88 -0.46 -1.51 0.00 0.00 177.10 175.27 1si8 n ASN 128 N -0.92 2.38 -3.97 -1.22 6.94 -0.05 -0.46 115.26 117.96 1si8 n ASN 128 Ca -0.04 -2.27 -0.14 0.00 -0.02 0.00 0.00 54.58 52.12 1si8 n ASN 128 Cb 0.66 -0.54 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 1si8 n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1si8 s THR 129 N -1.53 0.32 -0.90 5.53 -1.32 -1.26 -4.60 115.64 111.87 1si8 s THR 129 Ca 0.16 -0.46 0.24 0.00 -1.21 0.00 0.00 61.69 60.43 1si8 s THR 129 Cb 0.12 -0.33 0.22 0.00 -1.51 0.00 0.00 72.50 71.00 1si8 s THR 129 CO 0.05 -0.10 1.76 -0.81 -2.21 0.00 0.00 174.62 173.32 1si8 n PRO 130 N 2.47 0.06 -3.56 7.08 -0.04 -1.26 -4.57 135.00 135.18 1si8 n PRO 130 Ca -0.16 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 1si8 n PRO 130 Cb 0.57 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1si8 n PRO 130 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1si8 n ILE 131 N -1.70 0.00 -4.23 0.52 -5.35 -1.26 -4.22 119.36 103.12 1si8 n ILE 131 Ca 0.05 -1.53 -0.14 0.00 -0.27 0.00 0.00 62.75 60.86 1si8 n ILE 131 Cb 0.30 0.53 -0.09 0.00 -1.74 0.00 0.00 39.64 38.64 1si8 n ILE 131 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1si8 s PHE 132 N -2.50 1.34 0.12 4.28 5.36 -0.88 -5.01 117.98 120.69 1si8 s PHE 132 Ca 0.12 -1.46 0.11 0.00 -0.96 0.00 0.00 56.93 54.75 1si8 s PHE 132 Cb 0.01 -0.61 0.13 0.00 -0.34 0.00 0.00 43.02 42.21 1si8 s PHE 132 CO 0.09 -0.70 1.47 0.74 -1.46 0.00 0.00 175.22 175.36 1si8 h PHE 133 N 2.48 0.00 -3.04 10.12 -1.00 -1.89 -3.41 116.94 120.19 1si8 h PHE 133 Ca -0.33 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.02 1si8 h PHE 133 Cb 1.24 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 1si8 h PHE 133 CO 0.74 0.71 -0.65 0.96 -1.61 0.00 0.00 178.31 178.46 1si8 s ILE 134 N -3.14 1.20 0.00 -0.55 -4.36 -1.26 -3.11 121.20 109.98 1si8 s ILE 134 Ca 0.01 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1si8 s ILE 134 Cb 0.10 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1si8 s ILE 134 CO 0.77 -0.22 0.24 0.54 0.24 0.00 0.00 174.94 176.51 1si8 n ARG 135 N -0.53 3.16 -4.35 0.37 1.74 -1.26 -4.72 116.66 111.07 1si8 n ARG 135 Ca -0.04 -0.24 -0.25 0.00 -0.77 0.00 0.00 57.85 56.55 1si8 n ARG 135 Cb 0.65 -0.74 -0.17 0.00 -1.02 0.00 0.00 32.46 31.18 1si8 n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1si8 s ASP 136 N -0.52 1.93 0.55 0.55 -1.08 -1.26 -2.37 116.67 114.47 1si8 s ASP 136 Ca 0.00 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 1si8 s ASP 136 Cb 0.00 -0.84 1.45 0.00 -1.46 0.00 0.00 42.92 42.06 1si8 s ASP 136 CO 0.00 -0.02 1.99 0.00 0.52 0.00 0.00 175.17 177.66 1si8 h ALA 137 N 7.39 2.38 0.00 3.66 0.00 -1.80 -1.22 119.26 129.67 1si8 h ALA 137 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1si8 h ALA 137 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1si8 h ALA 137 CO 0.46 -0.64 0.00 0.97 0.00 0.00 0.00 179.25 180.04 1si8 h ILE 138 N 0.00 0.00 -0.01 0.00 2.10 -1.95 -1.25 117.51 116.39 1si8 h ILE 138 Ca 0.23 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.14 1si8 h ILE 138 Cb 1.01 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1si8 h ILE 138 CO -0.00 0.00 -0.42 0.29 -1.08 0.00 0.00 178.15 176.94 1si8 n LYS 139 N -2.44 1.17 0.05 2.19 4.76 -0.46 -4.55 118.16 118.89 1si8 n LYS 139 Ca -0.01 -0.93 -0.11 0.00 -2.87 0.00 0.00 58.31 54.39 1si8 n LYS 139 Cb 0.07 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 1si8 n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1si8 h PHE 140 N 2.26 -0.32 -0.62 2.13 3.57 -1.36 -0.21 116.94 122.40 1si8 h PHE 140 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1si8 h PHE 140 Cb 0.71 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1si8 h PHE 140 CO 0.00 -0.19 0.41 -1.35 -2.23 0.00 0.00 178.31 174.95 1si8 h PRO 141 N -0.21 0.55 -0.15 6.41 0.11 -1.80 0.69 132.00 137.60 1si8 h PRO 141 Ca 0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1si8 h PRO 141 Cb 0.27 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1si8 h PRO 141 CO -0.13 0.36 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.52 1si8 h ASP 142 N 0.56 0.32 0.34 -2.05 3.32 -1.70 -0.33 116.42 116.88 1si8 h ASP 142 Ca 0.27 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1si8 h ASP 142 Cb 0.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1si8 h ASP 142 CO -0.08 0.65 -0.17 0.15 -1.72 0.00 0.00 179.24 178.07 1si8 h PHE 143 N -0.02 -0.44 -0.98 4.55 -0.00 -0.22 -1.89 116.94 117.94 1si8 h PHE 143 Ca 0.03 -0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.00 1si8 h PHE 143 Cb 0.53 0.15 -0.05 0.00 -0.00 0.00 0.00 35.95 36.57 1si8 h PHE 143 CO 0.06 -0.27 0.64 0.82 -0.00 0.00 0.00 178.31 179.56 1si8 h ILE 144 N -0.47 1.25 -0.76 1.41 1.08 -0.92 -1.45 117.51 117.65 1si8 h ILE 144 Ca -0.05 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1si8 h ILE 144 Cb 0.36 -0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 33.89 1si8 h ILE 144 CO 0.07 0.24 0.49 0.45 -0.69 0.00 0.00 178.15 178.71 1si8 h HIS 145 N 1.32 0.97 0.00 1.37 3.86 -0.89 -0.62 115.15 121.16 1si8 h HIS 145 Ca 0.36 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1si8 h HIS 145 Cb -0.15 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 27.99 1si8 h HIS 145 CO -0.00 0.62 -0.35 0.66 0.86 0.00 0.00 177.93 179.72 1si8 h SER 146 N 1.03 0.00 1.89 2.45 4.64 -0.71 -2.69 113.55 120.16 1si8 h SER 146 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1si8 h SER 146 Cb -0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1si8 h SER 146 CO -0.06 0.35 -0.11 1.56 -0.87 0.00 0.00 176.83 177.70 1si8 h GLN 147 N 0.00 0.00 0.00 4.77 1.08 -0.52 -3.18 115.11 117.26 1si8 h GLN 147 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1si8 h GLN 147 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1si8 h GLN 147 CO 0.05 0.05 0.00 1.63 -0.95 0.00 0.00 178.83 179.60 1si8 n LYS 148 N -3.09 3.69 -2.89 1.46 5.02 -0.31 -4.90 118.16 117.14 1si8 n LYS 148 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1si8 n LYS 148 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 1si8 n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1si8 s ARG 149 N 3.29 4.18 0.11 1.97 0.52 -1.26 -4.11 118.95 123.64 1si8 s ARG 149 Ca 0.00 1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.92 1si8 s ARG 149 Cb 0.00 -2.24 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 1si8 s ARG 149 CO 0.00 0.01 1.77 1.21 0.02 0.00 0.00 175.30 178.31 1si8 s ASN 150 N -2.20 6.48 0.67 0.23 2.47 0.70 -4.85 114.94 118.44 1si8 s ASN 150 Ca 0.60 2.67 0.45 0.00 0.42 0.00 0.00 52.86 57.00 1si8 s ASN 150 Cb -0.09 -2.57 2.43 0.00 -1.45 0.00 0.00 41.25 39.57 1si8 s ASN 150 CO 0.14 -0.96 2.37 1.55 -3.72 0.00 0.00 177.10 176.48 1si8 h PRO 151 N 8.50 0.00 0.01 0.43 0.13 -1.94 0.23 132.00 139.35 1si8 h PRO 151 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 1si8 h PRO 151 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1si8 h PRO 151 CO 0.94 0.00 -1.91 -2.13 -0.23 0.00 0.00 178.00 174.68 1si8 n ARG 152 N -3.08 0.60 0.02 0.86 0.63 -1.26 -4.65 116.66 109.77 1si8 n ARG 152 Ca -0.03 0.40 0.11 0.00 -0.92 0.00 0.00 57.85 57.41 1si8 n ARG 152 Cb 0.07 -1.63 -0.12 0.00 0.45 0.00 0.00 32.46 31.23 1si8 n ARG 152 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1si8 n THR 153 N -4.18 0.14 -1.05 5.15 -2.24 -1.19 -4.98 114.28 105.94 1si8 n THR 153 Ca -0.42 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 60.87 1si8 n THR 153 Cb 0.82 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1si8 n THR 153 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1si8 n HIS 154 N -2.30 0.00 -3.77 4.78 -0.00 0.80 -4.96 115.22 109.77 1si8 n HIS 154 Ca -0.02 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.90 1si8 n HIS 154 Cb 0.55 -0.86 -0.03 0.00 -0.12 0.00 0.00 29.99 29.53 1si8 n HIS 154 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1si8 s LEU 155 N -0.42 4.25 0.56 0.27 1.43 -1.26 -4.61 118.68 118.90 1si8 s LEU 155 Ca 0.00 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1si8 s LEU 155 Cb 0.00 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 1si8 s LEU 155 CO 0.00 -0.04 1.14 -0.54 0.23 0.00 0.00 176.35 177.14 1si8 s LYS 156 N -3.47 3.24 -0.34 1.70 -0.14 -1.26 -0.22 119.74 119.25 1si8 s LYS 156 Ca 0.37 1.64 0.01 0.00 -1.36 0.00 0.00 55.97 56.64 1si8 s LYS 156 Cb -0.11 -1.99 0.10 0.00 -1.68 0.00 0.00 37.83 34.16 1si8 s LYS 156 CO 0.29 -0.95 0.10 0.45 -0.76 0.00 0.00 175.35 174.48 1si8 s SER 157 N -1.78 4.28 0.49 2.83 0.15 -1.26 -4.82 113.70 113.59 1si8 s SER 157 Ca 0.73 -1.96 0.20 0.00 0.70 0.00 0.00 55.95 55.63 1si8 s SER 157 Cb -0.25 -1.19 1.25 0.00 -1.71 0.00 0.00 66.02 64.13 1si8 s SER 157 CO 0.29 -0.38 2.05 1.55 1.20 0.00 0.00 173.24 177.95 1si8 h PRO 158 N 7.75 0.00 -0.45 5.44 0.13 -1.92 -1.43 132.00 141.52 1si8 h PRO 158 Ca -0.09 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1si8 h PRO 158 Cb 1.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 1si8 h PRO 158 CO 0.50 0.14 0.21 0.93 -0.23 0.00 0.00 178.00 179.54 1si8 h GLU 159 N 0.00 0.41 -0.38 0.86 4.39 -1.92 -0.45 114.58 117.49 1si8 h GLU 159 Ca -0.00 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1si8 h GLU 159 Cb 0.28 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1si8 h GLU 159 CO 0.02 0.27 -0.16 0.00 -1.16 0.00 0.00 179.01 177.97 1si8 h ALA 160 N 1.25 0.53 -0.06 3.43 0.00 -1.62 0.11 119.26 122.91 1si8 h ALA 160 Ca 0.20 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1si8 h ALA 160 Cb 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1si8 h ALA 160 CO -0.16 0.45 -0.15 0.28 0.00 0.00 0.00 179.25 179.68 1si8 h VAL 161 N 0.57 0.63 0.00 0.00 2.07 -0.83 -1.98 116.25 116.71 1si8 h VAL 161 Ca 0.09 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.43 1si8 h VAL 161 Cb 0.70 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1si8 h VAL 161 CO 0.05 0.00 -0.86 -0.50 0.02 0.00 0.00 177.57 176.28 1si8 h TRP 162 N -0.22 0.00 -0.20 1.57 4.06 -1.09 -2.40 115.95 117.67 1si8 h TRP 162 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1si8 h TRP 162 Cb 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1si8 h TRP 162 CO -0.23 0.86 0.13 0.22 -3.56 0.00 0.00 178.44 175.86 1si8 h ASP 163 N 0.00 0.23 -0.43 -3.49 3.58 -0.61 0.29 116.42 115.98 1si8 h ASP 163 Ca -0.01 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1si8 h ASP 163 Cb 1.58 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 1si8 h ASP 163 CO 0.11 0.16 0.19 0.15 -2.88 0.00 0.00 179.24 176.98 1si8 h PHE 164 N 0.27 0.63 -0.23 0.28 3.57 -1.36 -2.83 116.94 117.27 1si8 h PHE 164 Ca 0.07 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1si8 h PHE 164 Cb -0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1si8 h PHE 164 CO -0.06 0.53 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.72 1si8 h TRP 165 N 0.55 0.57 0.00 0.41 6.55 -1.15 -2.44 115.95 120.44 1si8 h TRP 165 Ca 0.15 -0.15 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1si8 h TRP 165 Cb 0.15 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.32 1si8 h TRP 165 CO -0.01 0.77 -0.04 0.66 -1.05 0.00 0.00 178.44 178.77 1si8 h SER 166 N 0.42 0.00 -0.24 -3.49 4.64 -0.23 -0.93 113.55 113.71 1si8 h SER 166 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1si8 h SER 166 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1si8 h SER 166 CO 0.06 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.48 1si8 n HIS 167 N -3.29 0.30 -3.30 4.77 8.25 -1.05 -4.62 115.22 116.28 1si8 n HIS 167 Ca -0.01 -0.18 -0.25 0.00 -0.26 0.00 0.00 57.72 57.02 1si8 n HIS 167 Cb 0.21 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 1si8 n HIS 167 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1si8 n SER 168 N 1.23 1.34 0.32 0.41 7.64 -0.35 -4.96 113.62 119.24 1si8 n SER 168 Ca 0.15 -2.92 0.15 0.00 1.01 0.00 0.00 58.87 57.26 1si8 n SER 168 Cb 0.53 -0.65 0.79 0.00 -1.01 0.00 0.00 64.21 63.88 1si8 n SER 168 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1si8 h PRO 169 N 4.20 0.00 0.00 1.43 0.13 -1.82 -0.66 132.00 135.28 1si8 h PRO 169 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1si8 h PRO 169 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1si8 h PRO 169 CO 0.58 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50 1si8 n GLU 170 N -2.93 0.08 0.02 0.86 0.00 -1.26 -2.07 120.64 115.34 1si8 n GLU 170 Ca -0.01 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.67 1si8 n GLU 170 Cb 0.42 -1.68 0.43 0.00 0.00 0.00 0.00 31.44 30.60 1si8 n GLU 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1si8 n SER 171 N -1.85 0.31 -0.25 -1.84 3.41 -0.25 -4.28 113.62 108.88 1si8 n SER 171 Ca 0.02 0.21 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 1si8 n SER 171 Cb 0.15 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.07 1si8 n SER 171 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1si8 h LEU 172 N 0.00 0.12 0.19 1.04 3.38 -1.62 0.16 115.31 118.58 1si8 h LEU 172 Ca 0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1si8 h LEU 172 Cb 0.54 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1si8 h LEU 172 CO 0.00 0.02 -0.13 -0.74 0.09 0.00 0.00 178.44 177.68 1si8 h HIS 173 N 0.34 -0.33 -0.10 1.13 2.76 -1.79 -1.22 115.15 115.94 1si8 h HIS 173 Ca 0.41 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.45 1si8 h HIS 173 Cb 0.66 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 1si8 h HIS 173 CO -0.22 -0.20 -0.48 0.37 -1.30 0.00 0.00 177.93 176.10 1si8 h GLN 174 N -0.31 0.24 -0.73 5.26 5.75 -1.68 -2.56 115.11 121.08 1si8 h GLN 174 Ca -0.01 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1si8 h GLN 174 Cb 0.27 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1si8 h GLN 174 CO 0.00 0.67 0.35 0.28 -2.65 0.00 0.00 178.83 177.48 1si8 h VAL 175 N 0.19 1.23 -0.66 2.39 2.07 -0.49 0.22 116.25 121.20 1si8 h VAL 175 Ca 0.01 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1si8 h VAL 175 Cb 0.92 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1si8 h VAL 175 CO 0.07 0.28 0.16 0.74 0.02 0.00 0.00 177.57 178.84 1si8 h THR 176 N 1.03 1.25 -0.37 2.57 2.02 -0.86 -0.33 112.91 118.23 1si8 h THR 176 Ca 0.25 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 1si8 h THR 176 Cb 0.11 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1si8 h THR 176 CO -0.03 0.36 -0.30 0.40 0.37 0.00 0.00 175.52 176.32 1si8 h ILE 177 N 1.00 1.28 -0.75 3.11 2.04 -0.97 -2.35 117.51 120.87 1si8 h ILE 177 Ca 0.21 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.62 1si8 h ILE 177 Cb 0.35 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1si8 h ILE 177 CO 0.00 0.48 0.49 0.25 0.00 0.00 0.00 178.15 179.37 1si8 h LEU 178 N 0.65 0.87 -0.10 1.44 6.46 -0.22 -2.57 115.31 121.84 1si8 h LEU 178 Ca 0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1si8 h LEU 178 Cb 0.87 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1si8 h LEU 178 CO 0.08 0.64 -0.09 0.23 -0.62 0.00 0.00 178.44 178.67 1si8 n MET 179 N -4.55 0.42 -0.97 1.25 2.81 -0.17 -3.78 117.12 112.13 1si8 n MET 179 Ca 0.07 -0.10 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 1si8 n MET 179 Cb 0.02 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.16 1si8 n MET 179 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1si8 n SER 180 N -1.21 -0.29 -0.08 7.83 3.41 -0.89 -4.03 113.62 118.36 1si8 n SER 180 Ca 0.12 -1.19 -0.01 0.00 -0.26 0.00 0.00 58.87 57.53 1si8 n SER 180 Cb 0.28 -0.57 0.25 0.00 -0.26 0.00 0.00 64.21 63.91 1si8 n SER 180 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1si8 h ASP 181 N -1.19 0.66 0.08 4.04 3.32 -1.86 -2.28 116.42 119.18 1si8 h ASP 181 Ca -0.24 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1si8 h ASP 181 Cb 0.68 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1si8 h ASP 181 CO 0.17 0.65 0.00 0.54 -1.72 0.00 0.00 179.24 178.87 1si8 n ARG 182 N -4.31 0.10 0.31 3.56 1.74 -1.26 -2.36 116.66 114.44 1si8 n ARG 182 Ca 0.03 0.18 0.20 0.00 -0.77 0.00 0.00 57.85 57.49 1si8 n ARG 182 Cb 0.20 -1.50 0.96 0.00 -1.02 0.00 0.00 32.46 31.09 1si8 n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1si8 h GLY 183 N 0.89 0.00 -6.73 -0.13 0.00 -1.50 -3.35 103.07 92.24 1si8 h GLY 183 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1si8 h GLY 183 CO 0.00 0.00 -0.80 -0.42 0.00 0.00 0.00 176.54 175.32 1si8 s ILE 184 N -3.91 0.09 0.74 2.60 1.01 -1.00 -2.43 121.20 118.30 1si8 s ILE 184 Ca -0.02 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.30 1si8 s ILE 184 Cb 0.11 -1.09 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1si8 s ILE 184 CO 0.48 -0.83 1.14 -2.84 0.00 0.00 0.00 174.94 172.88 1si8 s PRO 185 N 1.64 2.23 0.20 2.79 0.02 -1.26 -0.90 135.00 139.72 1si8 s PRO 185 Ca 0.13 1.47 -0.02 0.00 0.02 0.00 0.00 61.00 62.59 1si8 s PRO 185 Cb -0.19 -1.87 0.15 0.00 0.02 0.00 0.00 34.50 32.61 1si8 s PRO 185 CO -0.21 -1.71 1.54 1.25 -0.33 0.00 0.00 177.00 177.54 1si8 h LEU 186 N -0.60 0.60 -7.62 -5.54 5.85 -1.08 -3.39 115.31 103.53 1si8 h LEU 186 Ca -0.46 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.11 1si8 h LEU 186 Cb 1.26 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1si8 h LEU 186 CO 0.50 1.00 0.44 -0.94 -0.34 0.00 0.00 178.44 179.10 1si8 s SER 187 N -6.89 -0.22 0.56 1.25 1.04 -1.26 -4.89 113.70 103.28 1si8 s SER 187 Ca -0.07 -0.38 0.30 0.00 0.48 0.00 0.00 55.95 56.28 1si8 s SER 187 Cb 0.12 0.52 1.65 0.00 0.10 0.00 0.00 66.02 68.41 1si8 s SER 187 CO 0.83 -0.94 2.15 -0.26 0.98 0.00 0.00 173.24 176.00 1si8 h PHE 188 N 2.00 0.00 0.00 5.02 0.05 -1.91 -1.01 116.94 121.09 1si8 h PHE 188 Ca -0.23 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.56 1si8 h PHE 188 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.19 1si8 h PHE 188 CO 0.37 0.07 0.00 0.54 -0.18 0.00 0.00 178.31 179.11 1si8 n ARG 189 N -3.60 0.17 -1.42 1.51 1.74 -1.26 -3.74 116.66 110.06 1si8 n ARG 189 Ca -0.02 0.20 -0.19 0.00 -0.77 0.00 0.00 57.85 57.06 1si8 n ARG 189 Cb 0.18 -1.72 0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1si8 n ARG 189 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1si8 n HIS 190 N -2.03 2.25 -4.11 -1.55 8.25 -0.38 -4.40 115.22 113.25 1si8 n HIS 190 Ca 0.05 -2.18 -0.08 0.00 -0.26 0.00 0.00 57.72 55.25 1si8 n HIS 190 Cb 0.36 -0.66 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 1si8 n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1si8 s MET 191 N -3.53 0.69 0.66 -0.41 0.23 -1.25 -2.60 119.30 113.10 1si8 s MET 191 Ca 0.52 -1.27 -0.01 0.00 -1.03 0.00 0.00 55.69 53.90 1si8 s MET 191 Cb 0.43 0.17 0.09 0.00 -1.53 0.00 0.00 34.83 33.99 1si8 s MET 191 CO 0.01 -0.13 0.92 -1.01 -2.03 0.00 0.00 175.02 172.79 1si8 s HIS 192 N -3.91 2.17 0.01 3.16 3.76 -1.26 -4.22 115.29 115.01 1si8 s HIS 192 Ca 0.11 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 1si8 s HIS 192 Cb 0.08 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 1si8 s HIS 192 CO -0.07 -1.39 -0.10 0.20 -0.85 0.00 0.00 174.74 172.52 1si8 s GLY 193 N -4.61 0.53 0.03 -2.22 0.00 0.63 -4.08 107.32 97.60 1si8 s GLY 193 Ca 0.63 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1si8 s GLY 193 CO 0.42 -0.50 -0.01 -1.36 0.00 0.00 0.00 173.10 171.65 1si8 s PHE 194 N -0.52 0.36 -0.49 1.90 0.40 0.40 0.70 117.98 120.73 1si8 s PHE 194 Ca 0.01 -0.75 0.24 0.00 -0.60 0.00 0.00 56.93 55.83 1si8 s PHE 194 Cb -0.05 -0.26 0.36 0.00 0.51 0.00 0.00 43.02 43.57 1si8 s PHE 194 CO 0.00 -0.29 1.46 0.78 0.70 0.00 0.00 175.22 177.87 1si8 h GLY 195 N 3.89 0.00 0.00 4.36 0.00 -1.79 -2.43 103.07 107.09 1si8 h GLY 195 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1si8 h GLY 195 CO 0.53 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.51 1si8 n SER 196 N -2.65 0.00 -4.77 0.19 7.64 -1.26 -4.78 113.62 107.98 1si8 n SER 196 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 1si8 n SER 196 Cb 0.50 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.77 1si8 n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1si8 s HIS 197 N 0.00 2.65 -0.07 1.43 3.76 -1.26 -4.79 115.29 117.00 1si8 s HIS 197 Ca 0.00 1.54 -0.24 0.00 -0.15 0.00 0.00 55.06 56.21 1si8 s HIS 197 Cb 0.00 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 1si8 s HIS 197 CO 0.00 -1.70 0.72 0.99 -0.85 0.00 0.00 174.74 173.90 1si8 s THR 198 N -2.77 5.03 0.52 1.30 2.01 -1.26 -4.64 115.64 115.83 1si8 s THR 198 Ca 0.62 1.47 0.05 0.00 0.31 0.00 0.00 61.69 64.14 1si8 s THR 198 Cb -0.18 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1si8 s THR 198 CO 0.52 0.23 0.27 -0.36 -0.69 0.00 0.00 174.62 174.59 1si8 s PHE 199 N 0.93 1.83 -0.07 4.92 0.40 0.33 -4.24 117.98 122.08 1si8 s PHE 199 Ca 0.38 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1si8 s PHE 199 Cb -0.18 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1si8 s PHE 199 CO 0.18 -0.20 -0.16 0.15 0.70 0.00 0.00 175.22 175.89 1si8 s LYS 200 N -4.12 2.75 -0.03 0.44 1.02 0.10 -0.33 119.74 119.56 1si8 s LYS 200 Ca 0.27 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.61 1si8 s LYS 200 Cb -0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1si8 s LYS 200 CO 0.17 0.47 -0.24 -1.58 -0.92 0.00 0.00 175.35 173.24 1si8 s TRP 201 N -0.35 2.40 -0.05 3.18 0.52 0.97 -0.21 118.94 125.41 1si8 s TRP 201 Ca 0.03 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.66 1si8 s TRP 201 Cb -0.12 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1si8 s TRP 201 CO 0.02 -0.07 -0.04 0.08 0.02 0.00 0.00 176.95 176.97 1si8 s VAL 202 N -0.49 0.52 0.77 4.03 1.01 -0.32 -0.46 120.40 125.46 1si8 s VAL 202 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1si8 s VAL 202 Cb -0.11 -0.57 0.16 0.00 0.00 0.00 0.00 36.38 35.86 1si8 s VAL 202 CO 0.00 0.23 1.05 -0.46 0.00 0.00 0.00 175.10 175.93 1si8 n ASN 203 N 4.24 1.06 0.26 3.32 0.23 -0.77 -1.44 115.26 122.16 1si8 n ASN 203 Ca -0.22 -1.98 0.11 0.00 -0.53 0.00 0.00 54.58 51.97 1si8 n ASN 203 Cb 0.51 -0.71 0.74 0.00 -2.08 0.00 0.00 39.78 38.23 1si8 n ASN 203 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1si8 h ALA 204 N -0.87 1.87 -0.00 -2.53 0.00 -1.88 -0.65 119.26 115.20 1si8 h ALA 204 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1si8 h ALA 204 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1si8 h ALA 204 CO 0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 1si8 n ALA 205 N -2.47 2.68 -0.47 0.00 0.00 -1.26 -4.90 120.51 114.09 1si8 n ALA 205 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1si8 n ALA 205 Cb 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1si8 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 206 N 1.34 0.76 3.75 0.00 0.00 -0.25 -5.04 105.19 105.75 1si8 n GLY 206 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1si8 n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1si8 s GLU 207 N -0.53 4.64 -0.08 1.61 2.02 -1.26 -4.80 118.70 120.30 1si8 s GLU 207 Ca 0.00 1.76 -0.01 0.00 0.02 0.00 0.00 54.97 56.73 1si8 s GLU 207 Cb 0.00 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 1si8 s GLU 207 CO 0.00 0.19 -0.01 0.08 0.02 0.00 0.00 175.26 175.54 1si8 s VAL 208 N -0.87 4.23 0.00 2.63 1.01 -1.26 -1.84 120.40 124.29 1si8 s VAL 208 Ca 0.46 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1si8 s VAL 208 Cb -0.31 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1si8 s VAL 208 CO 0.38 0.60 -0.02 -0.36 0.00 0.00 0.00 175.10 175.70 1si8 s PHE 209 N -0.88 0.20 -0.19 5.22 0.40 0.40 -2.12 117.98 121.01 1si8 s PHE 209 Ca 0.13 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 1si8 s PHE 209 Cb -0.11 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.24 1si8 s PHE 209 CO 0.02 -0.02 0.16 -0.06 0.70 0.00 0.00 175.22 176.03 1si8 s PHE 210 N -0.16 3.42 0.21 0.36 0.40 0.15 -0.02 117.98 122.34 1si8 s PHE 210 Ca -0.00 0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1si8 s PHE 210 Cb -0.02 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 1si8 s PHE 210 CO -0.00 0.28 -0.11 0.14 0.70 0.00 0.00 175.22 176.23 1si8 s VAL 211 N 0.40 1.57 -0.07 -0.44 -7.23 0.55 -0.22 120.40 114.95 1si8 s VAL 211 Ca 0.09 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1si8 s VAL 211 Cb -0.11 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1si8 s VAL 211 CO -0.01 -0.53 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.61 1si8 s LYS 212 N -3.70 1.51 0.01 4.82 1.02 -0.85 -0.51 119.74 122.04 1si8 s LYS 212 Ca 0.24 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.71 1si8 s LYS 212 Cb 0.01 -1.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.95 1si8 s LYS 212 CO 0.07 -0.03 0.52 0.71 -0.92 0.00 0.00 175.35 175.71 1si8 s TYR 213 N 0.84 3.72 -0.17 3.18 1.51 -1.26 -1.73 117.35 123.43 1si8 s TYR 213 Ca -0.12 1.13 -0.02 0.00 -1.01 0.00 0.00 57.07 57.06 1si8 s TYR 213 Cb -0.15 -2.48 0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1si8 s TYR 213 CO 0.02 0.49 0.01 -1.01 -1.11 0.00 0.00 175.55 173.94 1si8 s HIS 214 N -0.63 1.15 -0.45 2.71 3.76 -0.48 -2.60 115.29 118.75 1si8 s HIS 214 Ca 0.28 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.25 1si8 s HIS 214 Cb -0.18 -1.06 0.08 0.00 1.11 0.00 0.00 32.58 32.53 1si8 s HIS 214 CO 0.16 -0.57 0.33 -0.06 -0.85 0.00 0.00 174.74 173.75 1si8 s PHE 215 N 1.82 3.30 -0.23 1.40 0.40 0.22 -1.46 117.98 123.42 1si8 s PHE 215 Ca 0.00 -1.28 -0.16 0.00 -0.60 0.00 0.00 56.93 54.89 1si8 s PHE 215 Cb -0.16 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1si8 s PHE 215 CO -0.07 -0.84 0.40 0.15 0.70 0.00 0.00 175.22 175.56 1si8 s LYS 216 N 1.52 4.10 0.13 0.44 1.02 -0.19 -0.27 119.74 126.49 1si8 s LYS 216 Ca 0.04 0.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.86 1si8 s LYS 216 Cb -0.24 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.38 1si8 s LYS 216 CO 0.04 -0.16 1.73 -0.08 -0.92 0.00 0.00 175.35 175.96 1si8 s THR 217 N 1.70 2.58 -1.65 2.17 -1.32 -1.26 -0.66 115.64 117.21 1si8 s THR 217 Ca 0.18 0.21 0.31 0.00 -1.21 0.00 0.00 61.69 61.17 1si8 s THR 217 Cb -0.15 -3.13 0.67 0.00 -1.51 0.00 0.00 72.50 68.37 1si8 s THR 217 CO 0.09 0.00 2.12 0.59 -2.21 0.00 0.00 174.62 175.21 1si8 n ASN 218 N 5.13 0.01 0.00 8.08 3.02 -0.29 -2.72 115.26 128.50 1si8 n ASN 218 Ca 0.16 -0.47 0.11 0.00 -0.03 0.00 0.00 54.58 54.35 1si8 n ASN 218 Cb 0.38 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1si8 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 219 N -1.17 0.08 0.00 3.52 3.00 -1.26 -4.98 117.38 116.57 1si8 n GLN 219 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1si8 n GLN 219 Cb 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.92 1si8 n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1si8 n GLY 220 N 1.47 -0.17 3.69 1.08 0.00 -1.10 -4.94 105.19 105.22 1si8 n GLY 220 Ca 0.04 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1si8 n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 221 N -2.98 4.80 -0.03 -0.61 -1.09 -1.26 -4.41 121.20 115.61 1si8 s ILE 221 Ca 0.00 2.04 -0.03 0.00 -2.23 0.00 0.00 60.65 60.43 1si8 s ILE 221 Cb 0.00 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1si8 s ILE 221 CO 0.00 0.03 0.09 -0.54 -1.23 0.00 0.00 174.94 173.28 1si8 s LYS 222 N 1.87 0.10 0.36 2.79 1.02 -1.07 -5.05 119.74 119.76 1si8 s LYS 222 Ca 0.49 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.64 1si8 s LYS 222 Cb -0.19 0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 1si8 s LYS 222 CO 0.19 -0.02 0.08 -0.80 -0.92 0.00 0.00 175.35 173.88 1si8 s ASN 223 N 0.10 2.58 -0.11 2.83 0.01 -1.26 -0.58 114.94 118.50 1si8 s ASN 223 Ca -0.00 -1.49 -0.00 0.00 -0.71 0.00 0.00 52.86 50.65 1si8 s ASN 223 Cb -0.01 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.77 1si8 s ASN 223 CO -0.00 -0.73 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.00 1si8 s LEU 224 N -3.54 2.96 0.57 0.60 1.43 -0.08 -4.54 118.68 116.06 1si8 s LEU 224 Ca 0.31 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1si8 s LEU 224 Cb 0.06 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1si8 s LEU 224 CO 0.14 0.23 1.19 -0.70 0.23 0.00 0.00 176.35 177.45 1si8 s GLU 225 N -0.05 3.14 0.23 1.70 2.56 -1.26 -4.76 118.70 120.26 1si8 s GLU 225 Ca -0.01 1.79 -0.07 0.00 0.00 0.00 0.00 54.97 56.68 1si8 s GLU 225 Cb -0.14 -2.00 0.40 0.00 2.00 0.00 0.00 34.13 34.40 1si8 s GLU 225 CO 0.03 -1.06 1.69 0.77 -0.56 0.00 0.00 175.26 176.13 1si8 h SER 226 N 1.09 -0.02 0.02 -1.70 0.02 -1.97 -1.76 113.55 109.23 1si8 h SER 226 Ca -0.50 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1si8 h SER 226 Cb 1.29 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1si8 h SER 226 CO 0.56 -0.03 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.56 1si8 h GLN 227 N 0.26 -0.10 -0.68 3.45 4.15 -2.00 -2.07 115.11 118.12 1si8 h GLN 227 Ca 0.38 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.81 1si8 h GLN 227 Cb 0.63 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1si8 h GLN 227 CO -0.48 -0.07 0.45 1.25 -1.93 0.00 0.00 178.83 178.05 1si8 h LEU 228 N -0.10 0.78 -0.82 -2.39 6.46 -1.84 -1.96 115.31 115.44 1si8 h LEU 228 Ca 0.01 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1si8 h LEU 228 Cb 0.12 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 39.79 1si8 h LEU 228 CO -0.04 0.57 0.49 0.00 -0.62 0.00 0.00 178.44 178.84 1si8 h ALA 229 N 1.24 1.14 -0.62 1.25 0.00 -1.07 0.23 119.26 121.44 1si8 h ALA 229 Ca 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1si8 h ALA 229 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1si8 h ALA 229 CO -0.05 0.19 0.04 1.49 0.00 0.00 0.00 179.25 180.91 1si8 h GLU 230 N 0.87 1.06 -0.27 0.00 4.81 -0.96 -0.07 114.58 120.02 1si8 h GLU 230 Ca 0.37 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1si8 h GLU 230 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1si8 h GLU 230 CO -0.20 1.02 0.13 1.49 -0.73 0.00 0.00 179.01 180.73 1si8 h GLU 231 N 0.97 0.39 -0.01 1.92 4.81 -0.41 -2.43 114.58 119.81 1si8 h GLU 231 Ca 0.18 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1si8 h GLU 231 Cb 0.51 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1si8 h GLU 231 CO 0.02 0.37 -0.31 0.82 -0.73 0.00 0.00 179.01 179.19 1si8 h ILE 232 N 0.31 1.23 0.00 2.32 2.04 -0.42 -0.52 117.51 122.47 1si8 h ILE 232 Ca 0.09 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1si8 h ILE 232 Cb 0.11 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1si8 h ILE 232 CO -0.01 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.44 1si8 h ALA 233 N 1.67 1.73 0.01 1.87 0.00 -0.51 0.36 119.26 124.39 1si8 h ALA 233 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1si8 h ALA 233 Cb 0.56 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1si8 h ALA 233 CO 0.04 0.01 -1.84 0.41 0.00 0.00 0.00 179.25 177.87 1si8 n GLY 234 N -1.39 -0.65 0.24 0.00 0.00 -0.78 -3.95 105.19 98.66 1si8 n GLY 234 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1si8 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1si8 h LYS 235 N -0.82 0.46 -1.49 1.61 1.57 -0.95 -3.40 116.57 113.55 1si8 h LYS 235 Ca -0.49 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 57.90 1si8 h LYS 235 Cb 1.52 -0.04 -0.25 0.00 0.08 0.00 0.00 32.23 33.55 1si8 h LYS 235 CO -0.24 0.64 -0.58 1.21 -0.57 0.00 0.00 179.45 179.91 1si8 s ASN 236 N -6.80 -0.18 0.15 0.86 2.47 0.13 -5.01 114.94 106.55 1si8 s ASN 236 Ca -0.07 -1.34 0.14 0.00 0.42 0.00 0.00 52.86 52.01 1si8 s ASN 236 Cb 0.14 1.22 0.66 0.00 -1.45 0.00 0.00 41.25 41.83 1si8 s ASN 236 CO 0.78 -0.20 1.42 -0.81 -3.72 0.00 0.00 177.10 174.57 1si8 n PRO 237 N 4.13 0.08 -0.76 0.43 -0.04 -1.24 -2.00 135.00 135.59 1si8 n PRO 237 Ca 0.13 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.05 1si8 n PRO 237 Cb 0.51 -1.72 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 1si8 n PRO 237 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1si8 n ASP 238 N -1.88 2.61 -0.22 3.54 8.00 -1.26 -0.65 116.55 126.69 1si8 n ASP 238 Ca 0.00 -3.69 0.02 0.00 0.71 0.00 0.00 54.79 51.83 1si8 n ASP 238 Cb 0.08 -0.63 0.12 0.00 -0.02 0.00 0.00 41.12 40.67 1si8 n ASP 238 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1si8 h PHE 239 N 1.06 0.00 -0.14 1.24 3.04 -1.75 0.48 116.94 120.88 1si8 h PHE 239 Ca 0.20 0.05 -0.19 0.00 3.98 0.00 0.00 57.97 62.00 1si8 h PHE 239 Cb 1.64 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 40.25 1si8 h PHE 239 CO 0.97 -0.16 -0.69 0.45 -2.02 0.00 0.00 178.31 176.85 1si8 h HIS 240 N 0.14 0.77 -0.28 0.41 3.86 -1.87 -1.76 115.15 116.42 1si8 h HIS 240 Ca 0.35 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1si8 h HIS 240 Cb 0.57 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1si8 h HIS 240 CO -0.36 1.10 0.01 0.82 0.86 0.00 0.00 177.93 180.37 1si8 h ILE 241 N 0.41 1.25 -0.54 2.45 2.04 -1.78 -2.31 117.51 119.04 1si8 h ILE 241 Ca -0.03 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1si8 h ILE 241 Cb 1.28 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1si8 h ILE 241 CO 0.13 0.28 0.29 -0.08 0.00 0.00 0.00 178.15 178.77 1si8 h GLU 242 N 0.27 0.76 -0.42 2.37 4.81 -0.93 -2.29 114.58 119.15 1si8 h GLU 242 Ca 0.08 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1si8 h GLU 242 Cb 0.40 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1si8 h GLU 242 CO 0.01 0.60 0.19 0.22 -0.73 0.00 0.00 179.01 179.30 1si8 h ASP 243 N 0.72 0.25 -0.52 1.04 1.82 -1.18 0.85 116.42 119.40 1si8 h ASP 243 Ca 0.19 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1si8 h ASP 243 Cb 0.07 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1si8 h ASP 243 CO -0.03 0.19 0.23 0.25 -1.61 0.00 0.00 179.24 178.26 1si8 h LEU 244 N 0.38 0.70 -0.14 2.28 6.46 -1.25 -1.14 115.31 122.61 1si8 h LEU 244 Ca 0.19 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1si8 h LEU 244 Cb 0.12 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1si8 h LEU 244 CO -0.15 0.66 0.03 -0.74 -0.62 0.00 0.00 178.44 177.62 1si8 h HIS 245 N 0.70 0.24 -0.72 1.25 2.76 -1.00 -2.61 115.15 115.77 1si8 h HIS 245 Ca 0.18 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1si8 h HIS 245 Cb 0.17 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1si8 h HIS 245 CO 0.00 0.39 0.39 -0.91 -1.30 0.00 0.00 177.93 176.50 1si8 h ASN 246 N 0.03 0.90 -0.41 3.26 2.35 -0.74 -0.87 115.58 120.10 1si8 h ASN 246 Ca 0.04 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1si8 h ASN 246 Cb 0.27 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1si8 h ASN 246 CO 0.00 0.74 0.19 0.00 -1.65 0.00 0.00 177.43 176.71 1si8 h ALA 247 N 1.20 0.50 -0.21 -0.83 0.00 -1.16 0.11 119.26 118.87 1si8 h ALA 247 Ca 0.25 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1si8 h ALA 247 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1si8 h ALA 247 CO -0.04 -0.18 -0.45 0.82 0.00 0.00 0.00 179.25 179.40 1si8 h ILE 248 N 0.39 1.31 -0.02 0.00 2.04 -1.23 0.22 117.51 120.22 1si8 h ILE 248 Ca 0.18 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.29 1si8 h ILE 248 Cb 0.10 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1si8 h ILE 248 CO -0.14 0.51 -0.48 -0.08 0.00 0.00 0.00 178.15 177.97 1si8 h GLU 249 N 0.42 0.05 -0.13 2.37 4.57 -0.70 -2.09 114.58 119.06 1si8 h GLU 249 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1si8 h GLU 249 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1si8 h GLU 249 CO 0.08 0.52 0.00 0.09 -1.18 0.00 0.00 179.01 178.52 1si8 n ASN 250 N -3.97 1.14 -1.69 1.04 3.02 0.33 -4.91 115.26 110.22 1si8 n ASN 250 Ca -0.02 -1.67 -0.16 0.00 -0.03 0.00 0.00 54.58 52.70 1si8 n ASN 250 Cb 0.50 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 1si8 n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 251 N -0.01 -1.23 -2.75 3.52 6.02 -0.79 -4.91 117.38 117.22 1si8 n GLN 251 Ca 0.14 0.82 -0.41 0.00 -0.01 0.00 0.00 57.00 57.55 1si8 n GLN 251 Cb 0.23 -5.16 0.01 0.00 1.02 0.00 0.00 30.24 26.35 1si8 n GLN 251 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1si8 n GLU 252 N -2.52 5.07 -1.59 -1.09 1.02 0.74 -5.01 120.64 117.26 1si8 n GLU 252 Ca -0.18 -4.65 -0.49 0.00 -0.02 0.00 0.00 57.16 51.81 1si8 n GLU 252 Cb 0.62 -2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 1si8 n GLU 252 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1si8 n PHE 253 N 0.26 2.02 -2.55 -0.32 0.99 -1.26 -4.49 117.46 112.11 1si8 n PHE 253 Ca 0.41 0.10 -0.36 0.00 -0.00 0.00 0.00 57.45 57.60 1si8 n PHE 253 Cb 0.29 -2.62 -0.04 0.00 -1.00 0.00 0.00 39.48 36.11 1si8 n PHE 253 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1si8 s PRO 254 N 5.12 4.07 0.07 -1.08 0.04 -1.24 -4.84 135.00 137.14 1si8 s PRO 254 Ca 1.00 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 1si8 s PRO 254 Cb -0.71 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1si8 s PRO 254 CO 0.49 -0.22 -0.03 -1.54 0.04 0.00 0.00 177.00 175.75 1si8 s SER 255 N -1.69 0.58 0.00 6.66 1.04 -1.26 -1.63 113.70 117.41 1si8 s SER 255 Ca 0.60 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1si8 s SER 255 Cb -0.20 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1si8 s SER 255 CO 0.25 -0.59 -0.06 0.26 0.98 0.00 0.00 173.24 174.08 1si8 s TRP 256 N -3.89 0.51 -0.27 5.02 0.51 0.31 -1.14 118.94 119.99 1si8 s TRP 256 Ca 0.09 -0.17 -0.12 0.00 -2.12 0.00 0.00 56.10 53.79 1si8 s TRP 256 Cb 0.08 -0.32 -0.05 0.00 -0.81 0.00 0.00 33.47 32.37 1si8 s TRP 256 CO -0.08 -0.02 0.23 0.99 -0.51 0.00 0.00 176.95 177.56 1si8 s THR 257 N -0.36 5.28 -0.16 2.01 2.01 0.17 -0.36 115.64 124.24 1si8 s THR 257 Ca -0.00 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1si8 s THR 257 Cb -0.04 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1si8 s THR 257 CO -0.00 0.24 0.36 -0.22 -0.69 0.00 0.00 174.62 174.30 1si8 s LEU 258 N 1.75 4.24 0.04 4.42 2.96 0.70 -1.02 118.68 131.76 1si8 s LEU 258 Ca 0.09 0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1si8 s LEU 258 Cb -0.16 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1si8 s LEU 258 CO 0.10 0.05 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.20 1si8 s SER 259 N 0.60 0.43 0.26 3.68 1.04 -0.54 0.49 113.70 119.66 1si8 s SER 259 Ca 0.19 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1si8 s SER 259 Cb -0.14 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 1si8 s SER 259 CO 0.06 -0.40 -0.16 0.68 0.98 0.00 0.00 173.24 174.39 1si8 s VAL 260 N -2.41 2.14 -0.19 5.02 -7.23 0.84 -1.38 120.40 117.18 1si8 s VAL 260 Ca -0.06 -2.31 -0.07 0.00 -1.81 0.00 0.00 61.98 57.73 1si8 s VAL 260 Cb -0.03 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1si8 s VAL 260 CO -0.04 -0.46 0.07 -1.10 -0.31 0.00 0.00 175.10 173.26 1si8 s GLN 261 N -3.58 3.93 -0.21 4.82 -0.21 -0.71 -0.54 119.66 123.17 1si8 s GLN 261 Ca 0.27 -0.36 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 1si8 s GLN 261 Cb -0.02 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.75 1si8 s GLN 261 CO 0.12 0.20 -0.11 0.42 -2.12 0.00 0.00 175.29 173.80 1si8 s ILE 262 N 0.58 2.79 -0.26 1.08 1.01 -1.26 -2.01 121.20 123.13 1si8 s ILE 262 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1si8 s ILE 262 Cb -0.13 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1si8 s ILE 262 CO 0.01 0.45 -0.09 -0.63 0.00 0.00 0.00 174.94 174.68 1si8 s ILE 263 N 1.39 2.44 0.53 2.92 1.09 0.69 -4.97 121.20 125.29 1si8 s ILE 263 Ca 0.05 -1.41 -0.22 0.00 -1.10 0.00 0.00 60.65 57.97 1si8 s ILE 263 Cb -0.14 -2.35 -0.05 0.00 -1.06 0.00 0.00 42.46 38.86 1si8 s ILE 263 CO -0.07 0.06 1.37 -2.84 -0.10 0.00 0.00 174.94 173.35 1si8 s PRO 264 N 1.19 3.23 0.18 2.79 0.02 -1.26 0.32 135.00 141.47 1si8 s PRO 264 Ca -0.05 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 1si8 s PRO 264 Cb -0.19 -2.32 0.07 0.00 0.02 0.00 0.00 34.50 32.09 1si8 s PRO 264 CO -0.05 -1.13 1.56 -0.92 -0.33 0.00 0.00 177.00 176.13 1si8 h TYR 265 N 1.60 -1.37 -0.81 6.54 -0.00 -1.79 0.10 116.97 121.23 1si8 h TYR 265 Ca -0.51 0.10 0.20 0.00 -0.00 0.00 0.00 58.73 58.52 1si8 h TYR 265 Cb 1.29 0.71 -0.13 0.00 -0.00 0.00 0.00 36.73 38.61 1si8 h TYR 265 CO 0.47 -0.41 0.17 0.00 -0.00 0.00 0.00 178.16 178.39 1si8 h ALA 266 N 0.81 1.08 -0.15 1.82 0.00 -1.91 0.64 119.26 121.55 1si8 h ALA 266 Ca 0.22 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1si8 h ALA 266 Cb 0.54 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1si8 h ALA 266 CO -0.84 -0.41 0.05 -0.44 0.00 0.00 0.00 179.25 177.61 1si8 h ASP 267 N 0.21 0.22 -0.91 0.00 5.19 -1.20 -3.09 116.42 116.84 1si8 h ASP 267 Ca 0.48 -0.20 0.19 0.00 -0.62 0.00 0.00 57.03 56.88 1si8 h ASP 267 Cb 0.91 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.29 1si8 h ASP 267 CO -0.61 0.36 0.59 0.00 -3.12 0.00 0.00 179.24 176.46 1si8 h ALA 268 N 0.86 2.06 -0.12 3.45 0.00 0.36 -1.97 119.26 123.89 1si8 h ALA 268 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1si8 h ALA 268 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1si8 h ALA 268 CO -0.00 -0.34 0.42 -0.07 0.00 0.00 0.00 179.25 179.26 1si8 h LEU 269 N 0.51 0.00 0.00 0.00 3.38 -1.27 0.10 115.31 118.04 1si8 h LEU 269 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1si8 h LEU 269 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1si8 h LEU 269 CO -0.21 0.00 -1.57 0.35 0.09 0.00 0.00 178.44 177.10 1si8 n THR 270 N -3.07 0.19 -1.98 0.22 -2.24 -0.74 -4.53 114.28 102.13 1si8 n THR 270 Ca 0.01 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 1si8 n THR 270 Cb 0.50 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1si8 n THR 270 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1si8 n MET 271 N -2.31 3.55 -0.23 -0.78 2.81 0.01 -4.82 117.12 115.35 1si8 n MET 271 Ca -0.02 -4.12 -0.06 0.00 -1.81 0.00 0.00 57.70 51.69 1si8 n MET 271 Cb 0.54 -2.28 0.04 0.00 -0.71 0.00 0.00 33.22 30.81 1si8 n MET 271 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1si8 h LYS 272 N 2.18 0.88 0.00 0.03 1.57 -1.77 0.11 116.57 119.57 1si8 h LYS 272 Ca 0.38 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1si8 h LYS 272 Cb 1.47 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1si8 h LYS 272 CO 0.82 0.66 0.00 0.39 -0.57 0.00 0.00 179.45 180.75 1si8 n GLU 273 N -4.56 0.10 -0.08 3.15 1.02 -1.26 -1.96 120.64 117.06 1si8 n GLU 273 Ca 0.05 0.48 -0.17 0.00 -0.02 0.00 0.00 57.16 57.50 1si8 n GLU 273 Cb 0.08 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.68 1si8 n GLU 273 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1si8 n THR 274 N -1.97 0.99 -0.27 2.62 -1.04 -0.95 -4.35 114.28 109.31 1si8 n THR 274 Ca 0.01 -0.18 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 1si8 n THR 274 Cb 0.11 -1.77 0.36 0.00 -1.82 0.00 0.00 70.33 67.21 1si8 n THR 274 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1si8 h LEU 275 N -0.61 0.68 -2.94 -4.42 5.85 -0.76 -2.20 115.31 110.91 1si8 h LEU 275 Ca -0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1si8 h LEU 275 Cb 1.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1si8 h LEU 275 CO -0.23 0.36 0.00 0.49 -0.34 0.00 0.00 178.44 178.72 1si8 n PHE 276 N -4.55 1.17 -3.69 1.25 3.72 -0.83 -4.32 117.46 110.21 1si8 n PHE 276 Ca 0.17 -0.56 -0.39 0.00 -0.05 0.00 0.00 57.45 56.62 1si8 n PHE 276 Cb 0.43 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 1si8 n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1si8 s ASP 277 N -0.98 5.47 0.00 4.37 -1.08 -0.83 -4.25 116.67 119.37 1si8 s ASP 277 Ca 0.48 -1.26 0.14 0.00 -0.52 0.00 0.00 52.55 51.39 1si8 s ASP 277 Cb 0.28 -1.92 0.83 0.00 -1.46 0.00 0.00 42.92 40.65 1si8 s ASP 277 CO 0.28 -0.40 1.25 0.55 0.52 0.00 0.00 175.17 177.37 1si8 n VAL 278 N 4.86 0.00 -0.33 1.11 3.14 -1.26 -1.92 118.33 123.93 1si8 n VAL 278 Ca -0.11 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.35 1si8 n VAL 278 Cb 0.44 -0.68 0.32 0.00 -1.06 0.00 0.00 33.84 32.86 1si8 n VAL 278 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1si8 n THR 279 N -0.93 1.56 -4.04 1.55 -2.24 -1.26 -2.07 114.28 106.84 1si8 n THR 279 Ca 0.10 -1.03 -0.10 0.00 -2.27 0.00 0.00 64.05 60.75 1si8 n THR 279 Cb 0.05 0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 1si8 n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1si8 s LYS 280 N -1.76 0.48 0.24 -0.78 1.02 -0.81 -4.88 119.74 113.25 1si8 s LYS 280 Ca 0.45 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.71 1si8 s LYS 280 Cb 0.29 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1si8 s LYS 280 CO 0.23 -0.02 0.14 0.95 -0.92 0.00 0.00 175.35 175.73 1si8 s THR 281 N -1.90 4.24 -0.28 2.17 -4.23 -1.26 -4.91 115.64 109.46 1si8 s THR 281 Ca -0.09 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 58.87 1si8 s THR 281 Cb -0.07 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1si8 s THR 281 CO -0.02 -0.31 0.17 -0.69 -0.54 0.00 0.00 174.62 173.23 1si8 s VAL 282 N -2.09 5.05 -0.08 2.29 1.01 -1.26 -5.02 120.40 120.29 1si8 s VAL 282 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 61.98 61.90 1si8 s VAL 282 Cb -0.08 -3.44 -0.19 0.00 0.00 0.00 0.00 36.38 32.67 1si8 s VAL 282 CO 0.23 0.22 1.25 -0.24 0.00 0.00 0.00 175.10 176.57 1si8 n SER 283 N 5.03 0.68 0.07 3.32 2.88 -1.26 -4.84 113.62 119.50 1si8 n SER 283 Ca -0.14 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.68 1si8 n SER 283 Cb 0.51 -0.98 0.47 0.00 -0.75 0.00 0.00 64.21 63.46 1si8 n SER 283 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1si8 n GLN 284 N 2.36 0.18 0.02 -1.46 6.02 -1.26 -1.45 117.38 121.78 1si8 n GLN 284 Ca 0.22 0.15 -0.18 0.00 -0.01 0.00 0.00 57.00 57.17 1si8 n GLN 284 Cb 0.08 -1.71 -0.12 0.00 1.02 0.00 0.00 30.24 29.52 1si8 n GLN 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1si8 h LYS 285 N 0.00 0.39 -0.30 -1.09 1.57 -1.98 -1.63 116.57 113.53 1si8 h LYS 285 Ca 0.00 -0.47 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 1si8 h LYS 285 Cb 0.66 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1si8 h LYS 285 CO 0.00 1.14 -0.20 0.93 -0.57 0.00 0.00 179.45 180.76 1si8 h GLU 286 N -0.16 0.67 -2.91 3.15 5.08 -1.92 -3.38 114.58 115.10 1si8 h GLU 286 Ca -0.09 -0.31 -0.61 0.00 -1.00 0.00 0.00 59.36 57.34 1si8 h GLU 286 Cb 1.41 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.25 1si8 h GLU 286 CO 0.13 0.91 -0.75 0.71 -1.00 0.00 0.00 179.01 179.01 1si8 s TYR 287 N -4.51 1.89 0.80 4.33 2.02 -0.53 -5.10 117.35 116.25 1si8 s TYR 287 Ca -0.13 -2.39 -0.11 0.00 -0.37 0.00 0.00 57.07 54.07 1si8 s TYR 287 Cb 0.09 -1.78 0.08 0.00 -0.40 0.00 0.00 41.96 39.95 1si8 s TYR 287 CO 0.81 -0.78 1.11 -1.25 -1.57 0.00 0.00 175.55 173.88 1si8 s PRO 288 N 0.30 1.95 0.30 -1.71 0.04 -0.61 -4.26 135.00 131.00 1si8 s PRO 288 Ca 0.19 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1si8 s PRO 288 Cb -0.21 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1si8 s PRO 288 CO -0.02 -1.90 1.23 -0.51 0.04 0.00 0.00 177.00 175.84 1si8 s LEU 289 N -6.00 4.47 -0.19 -3.56 1.43 -1.26 -4.57 118.68 109.00 1si8 s LEU 289 Ca 0.64 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 56.27 1si8 s LEU 289 Cb -0.20 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.42 1si8 s LEU 289 CO 0.55 -0.39 -0.16 -0.63 0.23 0.00 0.00 176.35 175.95 1si8 s ILE 290 N -1.08 1.98 0.32 -0.59 1.01 0.30 -4.90 121.20 118.24 1si8 s ILE 290 Ca 0.48 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1si8 s ILE 290 Cb -0.37 -1.88 -0.11 0.00 0.01 0.00 0.00 42.46 40.12 1si8 s ILE 290 CO 0.48 0.38 1.42 -0.70 0.00 0.00 0.00 174.94 176.52 1si8 s GLU 291 N 1.29 4.24 -0.09 2.79 2.12 -1.26 -0.11 118.70 127.67 1si8 s GLU 291 Ca 0.02 2.37 -0.05 0.00 0.36 0.00 0.00 54.97 57.67 1si8 s GLU 291 Cb -0.15 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1si8 s GLU 291 CO -0.11 -0.39 -0.12 0.28 -0.54 0.00 0.00 175.26 174.38 1si8 n VAL 292 N 1.30 0.52 -3.62 3.70 0.31 0.18 -4.49 118.33 116.22 1si8 n VAL 292 Ca 0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1si8 n VAL 292 Cb 0.40 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1si8 n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 293 N 2.41 0.54 3.13 2.92 0.00 -0.95 -0.31 105.19 112.94 1si8 n GLY 293 Ca -0.19 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1si8 n GLY 293 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1si8 s THR 294 N -2.02 1.40 -0.17 2.61 2.01 0.12 -0.21 115.64 119.37 1si8 s THR 294 Ca 0.00 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1si8 s THR 294 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1si8 s THR 294 CO 0.00 0.40 0.05 -0.32 -0.69 0.00 0.00 174.62 174.07 1si8 s MET 295 N -0.01 3.87 -0.04 4.92 -2.45 0.52 -0.79 119.30 125.32 1si8 s MET 295 Ca -0.02 -0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1si8 s MET 295 Cb -0.11 -3.16 0.01 0.00 1.25 0.00 0.00 34.83 32.82 1si8 s MET 295 CO 0.02 0.32 -0.08 0.99 1.05 0.00 0.00 175.02 177.32 1si8 s THR 296 N 0.22 0.77 -0.31 10.11 2.01 -0.01 -0.53 115.64 127.90 1si8 s THR 296 Ca 0.04 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1si8 s THR 296 Cb -0.12 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1si8 s THR 296 CO 0.01 0.27 0.21 -0.76 -0.69 0.00 0.00 174.62 173.65 1si8 s LEU 297 N 0.62 4.24 -0.02 4.42 1.02 -0.64 -0.74 118.68 127.58 1si8 s LEU 297 Ca -0.10 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 53.81 1si8 s LEU 297 Cb -0.13 -2.11 0.04 0.00 0.02 0.00 0.00 46.19 44.01 1si8 s LEU 297 CO 0.01 -0.15 0.82 -0.46 0.02 0.00 0.00 176.35 176.59 1si8 n ASN 298 N 5.07 0.87 -3.67 2.29 0.23 -0.54 -3.69 115.26 115.83 1si8 n ASN 298 Ca -0.13 -1.74 -0.08 0.00 -0.53 0.00 0.00 54.58 52.09 1si8 n ASN 298 Cb 0.51 -0.09 -0.09 0.00 -2.08 0.00 0.00 39.78 38.02 1si8 n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1si8 s ARG 299 N -0.66 0.45 0.61 -3.83 3.52 -0.98 -5.00 118.95 113.07 1si8 s ARG 299 Ca 0.04 1.04 -0.13 0.00 -0.13 0.00 0.00 55.73 56.55 1si8 s ARG 299 Cb 0.04 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1si8 s ARG 299 CO 0.00 -0.19 1.04 -0.80 -0.81 0.00 0.00 175.30 174.54 1si8 s ASN 300 N 2.02 5.94 0.74 -2.12 0.02 -1.26 0.20 114.94 120.48 1si8 s ASN 300 Ca -0.07 1.61 -0.15 0.00 -1.02 0.00 0.00 52.86 53.24 1si8 s ASN 300 Cb -0.09 -2.50 0.04 0.00 0.02 0.00 0.00 41.25 38.72 1si8 s ASN 300 CO -0.15 -1.06 1.20 -2.84 0.02 0.00 0.00 177.10 174.27 1si8 s PRO 301 N -4.62 2.09 0.03 -0.60 0.02 -1.26 -4.79 135.00 125.86 1si8 s PRO 301 Ca 0.59 1.75 -0.17 0.00 0.02 0.00 0.00 61.00 63.19 1si8 s PRO 301 Cb -0.13 -1.83 -0.30 0.00 0.02 0.00 0.00 34.50 32.26 1si8 s PRO 301 CO 0.45 -1.87 1.05 0.93 -0.33 0.00 0.00 177.00 177.23 1si8 h GLU 302 N -0.37 0.55 -2.96 5.54 5.08 -2.00 -3.45 114.58 116.98 1si8 h GLU 302 Ca -0.47 -0.78 -0.22 0.00 -1.00 0.00 0.00 59.36 56.89 1si8 h GLU 302 Cb 1.29 0.26 -0.32 0.00 0.50 0.00 0.00 28.75 30.49 1si8 h GLU 302 CO 0.49 1.35 -0.53 1.21 -1.00 0.00 0.00 179.01 180.53 1si8 s ASN 303 N -7.33 0.18 0.12 1.42 3.84 -1.26 -5.08 114.94 106.83 1si8 s ASN 303 Ca -0.10 0.53 -0.20 0.00 0.21 0.00 0.00 52.86 53.29 1si8 s ASN 303 Cb 0.04 0.53 -0.05 0.00 -0.55 0.00 0.00 41.25 41.23 1si8 s ASN 303 CO 0.91 -0.21 1.72 0.22 -2.79 0.00 0.00 177.10 176.95 1si8 h TYR 304 N 7.89 -0.05 0.03 0.43 3.20 -1.98 -2.24 116.97 124.25 1si8 h TYR 304 Ca -0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 1si8 h TYR 304 Cb 1.13 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1si8 h TYR 304 CO 0.38 -0.05 -0.01 0.35 -1.64 0.00 0.00 178.16 177.18 1si8 h PHE 305 N 0.03 -0.04 -0.46 -3.82 3.57 -1.98 0.26 116.94 114.50 1si8 h PHE 305 Ca 0.08 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1si8 h PHE 305 Cb 0.11 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1si8 h PHE 305 CO -0.18 0.01 0.23 0.00 -2.23 0.00 0.00 178.31 176.14 1si8 h ALA 306 N 0.90 1.53 0.00 2.41 0.00 -1.96 -2.35 119.26 119.80 1si8 h ALA 306 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1si8 h ALA 306 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1si8 h ALA 306 CO 0.01 0.38 -1.24 0.39 0.00 0.00 0.00 179.25 178.78 1si8 n GLU 307 N -4.40 0.45 -0.04 0.00 1.02 -0.85 -4.30 120.64 112.52 1si8 n GLU 307 Ca 0.04 0.18 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 1si8 n GLU 307 Cb 0.12 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1si8 n GLU 307 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1si8 h VAL 308 N -0.82 1.32 -0.00 2.62 2.07 -0.69 -2.45 116.25 118.30 1si8 h VAL 308 Ca -0.17 -1.78 -0.26 0.00 0.82 0.00 0.00 66.70 65.31 1si8 h VAL 308 Cb 1.02 1.98 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1si8 h VAL 308 CO -0.10 0.55 -1.02 -0.08 0.02 0.00 0.00 177.57 176.95 1si8 h GLU 309 N 0.33 0.64 -0.00 1.57 4.57 -1.29 -3.33 114.58 117.08 1si8 h GLU 309 Ca -0.02 -0.68 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1si8 h GLU 309 Cb 1.16 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1si8 h GLU 309 CO 0.11 1.28 -0.33 1.04 -1.18 0.00 0.00 179.01 179.93 1si8 n GLN 310 N -3.83 0.18 -1.96 1.92 6.02 -0.89 -4.93 117.38 113.89 1si8 n GLN 310 Ca -0.10 -0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 1si8 n GLN 310 Cb 0.87 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.64 1si8 n GLN 310 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1si8 s VAL 311 N -2.88 2.43 -0.17 5.09 0.11 -0.92 -4.90 120.40 119.15 1si8 s VAL 311 Ca 0.15 0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1si8 s VAL 311 Cb 0.18 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.85 1si8 s VAL 311 CO 0.62 0.04 -0.14 0.42 -3.33 0.00 0.00 175.10 172.71 1si8 s THR 312 N -1.27 1.68 0.12 5.04 -4.23 -1.26 -5.05 115.64 110.66 1si8 s THR 312 Ca 0.61 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1si8 s THR 312 Cb -0.39 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1si8 s THR 312 CO 0.50 0.39 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.59 1si8 s PHE 313 N 1.42 2.90 -0.21 3.99 0.40 -1.26 -5.01 117.98 120.21 1si8 s PHE 313 Ca 0.03 -0.08 -0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1si8 s PHE 313 Cb -0.14 -1.47 0.08 0.00 0.51 0.00 0.00 43.02 41.99 1si8 s PHE 313 CO -0.10 0.48 0.49 0.45 0.70 0.00 0.00 175.22 177.24 1si8 s SER 314 N -2.47 -0.60 0.61 1.36 0.15 -1.26 -4.80 113.70 106.69 1si8 s SER 314 Ca 0.25 1.11 0.41 0.00 0.70 0.00 0.00 55.95 58.42 1si8 s SER 314 Cb -0.11 1.16 2.21 0.00 -1.71 0.00 0.00 66.02 67.57 1si8 s SER 314 CO 0.18 -0.21 2.26 -0.65 1.20 0.00 0.00 173.24 176.01 1si8 h PRO 315 N 7.40 0.00 -0.02 5.44 0.11 -1.85 0.87 132.00 143.95 1si8 h PRO 315 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1si8 h PRO 315 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1si8 h PRO 315 CO 0.21 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.41 1si8 n GLY 316 N -1.07 -0.54 3.31 -0.55 0.00 -1.26 -4.47 105.19 100.60 1si8 n GLY 316 Ca -0.03 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1si8 n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 317 N -0.46 5.08 -4.95 1.61 5.03 0.30 -4.97 115.26 116.90 1si8 n ASN 317 Ca 0.21 -2.99 -0.24 0.00 0.87 0.00 0.00 54.58 52.43 1si8 n ASN 317 Cb 0.21 -1.58 0.04 0.00 -1.02 0.00 0.00 39.78 37.43 1si8 n ASN 317 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1si8 s PHE 318 N 1.79 3.00 0.12 3.10 0.40 -1.26 -2.09 117.98 123.04 1si8 s PHE 318 Ca 0.44 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 1si8 s PHE 318 Cb 0.02 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 1si8 s PHE 318 CO 0.01 -0.95 -0.11 0.14 0.70 0.00 0.00 175.22 175.00 1si8 s VAL 319 N -2.92 1.13 0.09 -0.44 -7.23 -1.26 -4.83 120.40 104.95 1si8 s VAL 319 Ca 0.56 -1.78 -0.36 0.00 -1.81 0.00 0.00 61.98 58.59 1si8 s VAL 319 Cb -0.10 -1.55 -0.16 0.00 0.56 0.00 0.00 36.38 35.12 1si8 s VAL 319 CO 0.41 -0.57 1.39 -2.65 -0.31 0.00 0.00 175.10 173.38 1si8 n PRO 320 N 0.34 1.31 0.00 4.82 -0.02 -1.26 -1.79 135.00 138.40 1si8 n PRO 320 Ca -0.14 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1si8 n PRO 320 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1si8 n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1si8 n GLY 321 N 2.70 2.80 3.13 -1.23 0.00 -1.26 -3.18 105.19 108.14 1si8 n GLY 321 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1si8 n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 322 N -2.49 1.70 0.25 -0.61 1.01 -0.74 -1.17 121.20 119.14 1si8 s ILE 322 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1si8 s ILE 322 Cb 0.00 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1si8 s ILE 322 CO 0.00 0.48 0.17 -1.61 0.00 0.00 0.00 174.94 173.98 1si8 s GLU 323 N 0.64 1.41 0.54 2.79 2.02 0.71 -4.21 118.70 122.60 1si8 s GLU 323 Ca -0.13 -1.78 -0.14 0.00 0.02 0.00 0.00 54.97 52.94 1si8 s GLU 323 Cb -0.16 0.18 -0.07 0.00 0.10 0.00 0.00 34.13 34.18 1si8 s GLU 323 CO 0.04 -0.45 0.99 0.00 0.02 0.00 0.00 175.26 175.85 1si8 s ALA 324 N -3.87 3.09 0.40 5.21 0.00 -1.26 -0.72 121.76 124.61 1si8 s ALA 324 Ca 0.39 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1si8 s ALA 324 Cb 0.06 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1si8 s ALA 324 CO 0.17 -0.36 0.21 -1.54 0.00 0.00 0.00 175.76 174.24 1si8 s SER 325 N -3.42 4.60 0.00 0.00 1.04 -1.26 -4.58 113.70 110.08 1si8 s SER 325 Ca 0.57 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1si8 s SER 325 Cb -0.10 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1si8 s SER 325 CO 0.38 -0.52 0.59 -2.65 0.98 0.00 0.00 173.24 172.02 1si8 n PRO 326 N -1.29 0.65 -1.65 4.02 -0.02 -1.26 -4.69 135.00 130.77 1si8 n PRO 326 Ca -0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.01 1si8 n PRO 326 Cb 0.63 -1.06 -0.04 0.00 -0.02 0.00 0.00 33.50 33.01 1si8 n PRO 326 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1si8 n ASP 327 N -0.38 3.50 -0.13 2.55 -0.08 -1.26 -4.85 116.55 115.89 1si8 n ASP 327 Ca 0.00 0.80 0.03 0.00 -1.51 0.00 0.00 54.79 54.11 1si8 n ASP 327 Cb 0.03 -1.42 0.33 0.00 2.34 0.00 0.00 41.12 42.39 1si8 n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1si8 h LYS 328 N 10.64 0.79 -0.26 -0.67 1.57 -1.75 -0.22 116.57 126.67 1si8 h LYS 328 Ca -0.46 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 1si8 h LYS 328 Cb 1.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1si8 h LYS 328 CO 0.95 0.52 -0.07 1.25 -0.57 0.00 0.00 179.45 181.54 1si8 h LEU 329 N 0.81 0.51 -0.31 2.94 5.85 -1.80 -2.65 115.31 120.66 1si8 h LEU 329 Ca 0.24 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1si8 h LEU 329 Cb -0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1si8 h LEU 329 CO -0.06 0.76 0.19 0.25 -0.34 0.00 0.00 178.44 179.24 1si8 h LEU 330 N 0.26 0.31 -0.67 2.25 6.46 -1.78 -2.29 115.31 119.85 1si8 h LEU 330 Ca 0.07 -0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.96 1si8 h LEU 330 Cb 0.54 -0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.30 1si8 h LEU 330 CO 0.03 0.23 0.14 1.56 -0.62 0.00 0.00 178.44 179.77 1si8 h GLN 331 N 0.39 0.24 -0.71 1.25 1.08 -0.92 0.31 115.11 116.75 1si8 h GLN 331 Ca 0.12 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1si8 h GLN 331 Cb -0.01 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1si8 h GLN 331 CO -0.05 0.16 0.22 0.78 -0.95 0.00 0.00 178.83 178.99 1si8 h GLY 332 N 0.25 1.19 2.00 3.46 0.00 -1.13 -2.53 103.07 106.31 1si8 h GLY 332 Ca 0.37 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1si8 h GLY 332 CO -0.47 0.66 -0.05 3.21 0.00 0.00 0.00 176.54 179.89 1si8 h ARG 333 N 1.05 0.00 -0.14 4.80 3.08 -0.42 -1.44 114.38 121.31 1si8 h ARG 333 Ca 0.23 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1si8 h ARG 333 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1si8 h ARG 333 CO -0.01 0.05 0.11 -0.07 -1.07 0.00 0.00 179.97 178.99 1si8 h LEU 334 N 0.00 0.00 0.00 3.04 3.38 -0.81 -2.95 115.31 117.97 1si8 h LEU 334 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1si8 h LEU 334 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1si8 h LEU 334 CO 0.01 0.00 -1.11 0.33 0.09 0.00 0.00 178.44 177.75 1si8 n PHE 335 N -4.31 0.91 -0.30 1.13 7.35 -0.61 -4.63 117.46 117.00 1si8 n PHE 335 Ca 0.00 0.39 0.04 0.00 -0.76 0.00 0.00 57.45 57.13 1si8 n PHE 335 Cb 0.24 -0.98 0.13 0.00 0.35 0.00 0.00 39.48 39.21 1si8 n PHE 335 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1si8 h ALA 336 N -0.69 0.64 0.18 3.13 0.00 -1.22 -2.82 119.26 118.48 1si8 h ALA 336 Ca -0.26 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1si8 h ALA 336 Cb 1.08 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1si8 h ALA 336 CO -0.16 -0.42 -0.09 1.88 0.00 0.00 0.00 179.25 180.47 1si8 h TYR 337 N 0.01 -0.23 -0.92 0.00 -1.99 -1.79 0.64 116.97 112.70 1si8 h TYR 337 Ca 0.42 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.24 1si8 h TYR 337 Cb 0.68 0.07 -0.07 0.00 2.00 0.00 0.00 36.73 39.42 1si8 h TYR 337 CO -0.62 0.07 0.59 0.78 -0.00 0.00 0.00 178.16 178.98 1si8 h GLY 338 N -0.53 1.35 0.93 3.88 0.00 -1.80 0.36 103.07 107.26 1si8 h GLY 338 Ca -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1si8 h GLY 338 CO 0.04 0.23 -0.01 -1.80 0.00 0.00 0.00 176.54 175.01 1si8 h ASP 339 N 0.95 0.65 -0.79 0.19 3.58 -1.35 -2.68 116.42 116.98 1si8 h ASP 339 Ca 0.42 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1si8 h ASP 339 Cb 0.35 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 1si8 h ASP 339 CO -0.18 0.81 0.47 0.00 -2.88 0.00 0.00 179.24 177.45 1si8 h ALA 340 N 0.87 1.01 -0.68 -0.78 0.00 0.37 -2.82 119.26 117.23 1si8 h ALA 340 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1si8 h ALA 340 Cb 0.47 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1si8 h ALA 340 CO 0.02 0.49 0.42 0.45 0.00 0.00 0.00 179.25 180.63 1si8 h HIS 341 N 1.09 0.79 -0.01 0.00 3.86 -0.81 -0.12 115.15 119.94 1si8 h HIS 341 Ca 0.28 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.47 1si8 h HIS 341 Cb -0.02 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1si8 h HIS 341 CO -0.00 0.44 -0.19 0.00 0.86 0.00 0.00 177.93 179.04 1si8 h ARG 342 N 0.82 0.02 0.06 2.45 3.08 -1.23 0.10 114.38 119.68 1si8 h ARG 342 Ca 0.28 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.15 1si8 h ARG 342 Cb 0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1si8 h ARG 342 CO -0.11 0.20 -0.88 1.25 -1.07 0.00 0.00 179.97 179.36 1si8 h HIS 343 N 0.02 0.21 -0.28 3.04 2.76 -1.35 -3.09 115.15 116.46 1si8 h HIS 343 Ca 0.00 -0.16 -0.17 0.00 -2.20 0.00 0.00 60.37 57.85 1si8 h HIS 343 Cb 0.34 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1si8 h HIS 343 CO 0.00 1.34 -0.47 -0.09 -1.30 0.00 0.00 177.93 177.41 1si8 h ARG 344 N -0.69 0.82 0.00 5.26 2.43 -0.95 -3.41 114.38 117.84 1si8 h ARG 344 Ca -0.21 -0.51 -0.16 0.00 -0.81 0.00 0.00 59.98 58.30 1si8 h ARG 344 Cb 1.41 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1si8 h ARG 344 CO -0.02 1.14 -1.43 0.28 -1.51 0.00 0.00 179.97 178.43 1si8 n VAL 345 N -4.09 0.75 0.00 0.20 0.31 0.25 -4.56 118.33 111.20 1si8 n VAL 345 Ca -0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1si8 n VAL 345 Cb 0.59 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1si8 n VAL 345 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 346 N 2.34 3.36 0.30 2.92 0.00 -0.59 -4.83 105.19 108.69 1si8 n GLY 346 Ca -0.20 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1si8 n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1si8 h ALA 347 N 0.00 2.09 -0.67 4.61 0.00 -1.85 -2.68 119.26 120.76 1si8 h ALA 347 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1si8 h ALA 347 Cb 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.58 1si8 h ALA 347 CO 0.00 -0.14 0.28 0.09 0.00 0.00 0.00 179.25 179.48 1si8 n ASN 348 N -4.49 3.26 0.24 0.00 3.02 -1.26 -4.65 115.26 111.38 1si8 n ASN 348 Ca 0.02 -3.64 0.14 0.00 -0.03 0.00 0.00 54.58 51.06 1si8 n ASN 348 Cb 0.23 -0.74 0.80 0.00 -0.61 0.00 0.00 39.78 39.47 1si8 n ASN 348 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1si8 h SER 349 N 1.14 0.00 0.45 6.41 4.64 -1.80 -1.00 113.55 123.40 1si8 h SER 349 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1si8 h SER 349 Cb 2.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.35 1si8 h SER 349 CO 0.74 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1si8 n HIS 350 N -4.05 0.62 0.98 4.77 1.44 -1.26 -1.99 115.22 115.72 1si8 n HIS 350 Ca -0.01 0.27 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1si8 n HIS 350 Cb 0.19 -0.93 0.32 0.00 0.12 0.00 0.00 29.99 29.69 1si8 n HIS 350 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1si8 n GLN 351 N -2.09 0.02 -2.39 -1.40 6.02 -0.38 -3.26 117.38 113.90 1si8 n GLN 351 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.60 1si8 n GLN 351 Cb 0.15 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 1si8 n GLN 351 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1si8 s LEU 352 N -3.07 4.52 0.24 1.08 1.43 -0.84 -4.79 118.68 117.25 1si8 s LEU 352 Ca 0.11 2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1si8 s LEU 352 Cb 0.18 -3.63 0.28 0.00 0.03 0.00 0.00 46.19 43.05 1si8 s LEU 352 CO 0.67 -0.25 1.53 -2.65 0.23 0.00 0.00 176.35 175.89 1si8 n PRO 353 N 1.22 -0.20 0.29 1.29 -0.02 -1.26 -0.27 135.00 136.05 1si8 n PRO 353 Ca -0.00 1.52 0.15 0.00 -2.02 0.00 0.00 63.50 63.15 1si8 n PRO 353 Cb 0.44 -2.26 0.89 0.00 -0.02 0.00 0.00 33.50 32.54 1si8 n PRO 353 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1si8 h ILE 354 N 0.00 0.52 -0.00 4.25 6.09 -1.92 -2.60 117.51 123.84 1si8 h ILE 354 Ca 0.37 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1si8 h ILE 354 Cb 0.62 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1si8 h ILE 354 CO -0.99 0.03 -0.79 0.59 -3.07 0.00 0.00 178.15 173.92 1si8 n ASN 355 N -3.77 1.29 -4.76 2.19 3.02 0.63 -4.91 115.26 108.95 1si8 n ASN 355 Ca -0.03 -1.14 -0.39 0.00 -0.03 0.00 0.00 54.58 52.99 1si8 n ASN 355 Cb 0.12 0.83 0.03 0.00 -0.61 0.00 0.00 39.78 40.14 1si8 n ASN 355 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1si8 s GLN 356 N -2.73 3.35 0.34 3.52 -0.21 -0.46 -4.82 119.66 118.65 1si8 s GLN 356 Ca 0.11 2.24 -0.17 0.00 0.02 0.00 0.00 55.36 57.56 1si8 s GLN 356 Cb 0.16 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.69 1si8 s GLN 356 CO 0.73 -1.03 0.79 0.00 -2.12 0.00 0.00 175.29 173.67 1si8 s ALA 357 N -1.30 3.26 -0.00 6.09 0.00 -1.26 -4.96 121.76 123.59 1si8 s ALA 357 Ca 0.68 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 1si8 s ALA 357 Cb -0.40 -2.87 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 1si8 s ALA 357 CO 0.49 0.28 1.08 -0.22 0.00 0.00 0.00 175.76 177.39 1si8 h LYS 358 N 2.30 0.39 -7.08 0.00 3.64 -1.87 -3.45 116.57 110.51 1si8 h LYS 358 Ca -0.48 -0.44 -0.51 0.00 -1.27 0.00 0.00 60.65 57.95 1si8 h LYS 358 Cb 1.18 0.13 0.08 0.00 -0.41 0.00 0.00 32.23 33.21 1si8 h LYS 358 CO 0.64 1.11 0.45 0.00 -2.27 0.00 0.00 179.45 179.38 1si8 s ALA 359 N -3.14 2.69 0.46 5.00 0.00 -1.25 -4.96 121.76 120.57 1si8 s ALA 359 Ca -0.13 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 1si8 s ALA 359 Cb 0.03 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 1si8 s ALA 359 CO 0.82 -0.87 1.42 -0.35 0.00 0.00 0.00 175.76 176.78 1si8 n PRO 360 N -1.27 2.18 -3.85 0.00 -0.04 -1.26 -4.91 135.00 125.85 1si8 n PRO 360 Ca 0.12 0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 64.00 1si8 n PRO 360 Cb 0.50 -2.62 -0.13 0.00 -0.04 0.00 0.00 33.50 31.21 1si8 n PRO 360 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1si8 s VAL 361 N -1.20 3.45 -0.25 0.52 1.01 -1.26 -5.00 120.40 117.67 1si8 s VAL 361 Ca 0.62 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1si8 s VAL 361 Cb -0.45 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.22 1si8 s VAL 361 CO 0.57 0.11 0.01 0.20 0.00 0.00 0.00 175.10 175.99 1si8 s ASN 362 N 1.41 3.77 0.34 3.32 0.01 -1.26 -5.11 114.94 117.42 1si8 s ASN 362 Ca 0.01 -1.29 0.04 0.00 -0.71 0.00 0.00 52.86 50.91 1si8 s ASN 362 Cb -0.17 -1.02 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 1si8 s ASN 362 CO -0.01 -0.30 0.13 0.59 -1.51 0.00 0.00 177.10 176.00 1si8 n ASN 363 N 4.75 1.05 0.00 -1.22 5.03 -1.26 -4.92 115.26 118.70 1si8 n ASN 363 Ca -0.08 -2.86 0.00 0.00 0.87 0.00 0.00 54.58 52.52 1si8 n ASN 363 Cb 0.44 0.92 0.00 0.00 -1.02 0.00 0.00 39.78 40.12 1si8 n ASN 363 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1si8 n TYR 364 N -0.77 0.00 -2.31 3.10 4.01 -1.26 -4.98 117.16 114.95 1si8 n TYR 364 Ca -0.04 -0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 57.04 1si8 n TYR 364 Cb 0.52 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1si8 n TYR 364 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1si8 s GLN 365 N -0.50 4.49 0.10 -0.72 -0.21 -1.26 -4.83 119.66 116.73 1si8 s GLN 365 Ca 0.00 1.97 -0.04 0.00 0.02 0.00 0.00 55.36 57.31 1si8 s GLN 365 Cb 0.00 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 1si8 s GLN 365 CO 0.00 -0.05 0.09 0.15 -2.12 0.00 0.00 175.29 173.36 1si8 s LYS 366 N -0.96 0.85 3.55 2.91 -0.14 -1.26 -5.07 119.74 119.61 1si8 s LYS 366 Ca 0.50 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 1si8 s LYS 366 Cb -0.35 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.08 1si8 s LYS 366 CO 0.42 -0.24 0.00 -0.25 -0.76 0.00 0.00 175.35 174.52 1si8 n ASP 367 N -0.04 0.00 0.00 2.83 8.00 -1.26 -5.04 116.55 121.04 1si8 n ASP 367 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1si8 n ASP 367 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1si8 n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1si8 n GLY 368 N 0.00 0.31 3.78 0.44 0.00 -1.26 -4.72 105.19 103.74 1si8 n GLY 368 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1si8 n GLY 368 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1si8 s ASN 369 N -1.63 6.41 -1.39 1.61 2.47 -1.26 -3.32 114.94 117.84 1si8 s ASN 369 Ca 0.00 2.99 -0.01 0.00 0.42 0.00 0.00 52.86 56.27 1si8 s ASN 369 Cb 0.00 -2.66 -0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1si8 s ASN 369 CO 0.00 -0.82 0.46 0.23 -3.72 0.00 0.00 177.10 173.24 1si8 n MET 370 N 0.57 -3.41 -2.54 0.43 2.81 -1.26 -4.43 117.12 109.28 1si8 n MET 370 Ca 0.01 0.43 -0.43 0.00 -1.81 0.00 0.00 57.70 55.90 1si8 n MET 370 Cb 0.40 -4.58 -0.02 0.00 -0.71 0.00 0.00 33.22 28.30 1si8 n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1si8 s ARG 371 N -6.47 3.61 0.27 0.03 6.06 -1.21 -4.88 118.95 116.37 1si8 s ARG 371 Ca 0.01 0.52 0.14 0.00 -2.50 0.00 0.00 55.73 53.90 1si8 s ARG 371 Cb -0.01 -3.97 0.23 0.00 0.06 0.00 0.00 34.95 31.27 1si8 s ARG 371 CO 0.88 -1.54 1.52 0.35 -2.50 0.00 0.00 175.30 174.01 1si8 h PHE 372 N 9.67 0.00 -2.54 5.12 3.57 -1.93 -3.44 116.94 127.39 1si8 h PHE 372 Ca -0.24 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.06 1si8 h PHE 372 Cb 1.07 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 39.49 1si8 h PHE 372 CO 1.00 0.58 -0.50 1.21 -2.23 0.00 0.00 178.31 178.37 1si8 s ASN 373 N -6.55 0.38 0.00 0.41 3.04 -1.26 -4.99 114.94 105.98 1si8 s ASN 373 Ca 0.01 0.46 0.13 0.00 0.04 0.00 0.00 52.86 53.50 1si8 s ASN 373 Cb 0.10 0.86 -0.13 0.00 -1.54 0.00 0.00 41.25 40.54 1si8 s ASN 373 CO 0.74 -0.26 0.56 0.59 -3.04 0.00 0.00 177.10 175.69 1si8 n ASN 374 N 5.36 0.66 0.00 -4.21 5.03 -1.26 -4.97 115.26 115.87 1si8 n ASN 374 Ca -0.06 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.56 1si8 n ASN 374 Cb 0.50 0.96 0.00 0.00 -1.02 0.00 0.00 39.78 40.22 1si8 n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1si8 n GLY 375 N 1.28 -1.80 0.16 7.41 0.00 -1.26 -4.78 105.19 106.20 1si8 n GLY 375 Ca 0.03 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1si8 n GLY 375 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 376 N 0.28 2.39 -4.53 1.61 4.13 -1.26 -5.08 115.26 112.82 1si8 n ASN 376 Ca 0.00 -0.03 -0.44 0.00 1.68 0.00 0.00 54.58 55.80 1si8 n ASN 376 Cb 0.00 -0.32 -0.01 0.00 -1.54 0.00 0.00 39.78 37.91 1si8 n ASN 376 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1si8 n SER 377 N -3.16 0.32 0.01 6.41 2.88 -1.26 -4.92 113.62 113.89 1si8 n SER 377 Ca -0.31 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.41 1si8 n SER 377 Cb 0.81 -1.21 0.10 0.00 -0.75 0.00 0.00 64.21 63.16 1si8 n SER 377 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1si8 n GLU 378 N 0.61 0.07 -3.37 -1.46 1.02 -1.26 -4.80 120.64 111.46 1si8 n GLU 378 Ca 0.11 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.80 1si8 n GLU 378 Cb 0.35 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 1si8 n GLU 378 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1si8 s ILE 379 N -3.05 5.23 -0.23 -3.67 1.01 -1.26 -4.90 121.20 114.33 1si8 s ILE 379 Ca 0.08 -1.17 0.12 0.00 0.00 0.00 0.00 60.65 59.68 1si8 s ILE 379 Cb 0.16 -4.18 0.45 0.00 0.01 0.00 0.00 42.46 38.90 1si8 s ILE 379 CO 0.77 -0.66 1.33 -0.46 0.00 0.00 0.00 174.94 175.92 1si8 n ASN 380 N 5.22 2.32 -4.01 3.58 2.04 -1.26 -4.98 115.26 118.17 1si8 n ASN 380 Ca -0.13 -3.65 -0.08 0.00 -0.44 0.00 0.00 54.58 50.28 1si8 n ASN 380 Cb 0.43 -0.56 -0.11 0.00 -2.53 0.00 0.00 39.78 37.01 1si8 n ASN 380 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1si8 s TYR 381 N -3.15 0.34 -0.09 -2.53 -0.85 -1.26 -4.85 117.35 104.96 1si8 s TYR 381 Ca 0.40 -0.71 -0.07 0.00 -0.52 0.00 0.00 57.07 56.17 1si8 s TYR 381 Cb 0.37 -0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1si8 s TYR 381 CO -0.01 -0.27 0.24 -2.00 -1.52 0.00 0.00 175.55 171.99 1si8 s GLU 382 N -2.40 0.26 0.66 -3.49 -6.30 -1.26 -4.36 118.70 101.81 1si8 s GLU 382 Ca -0.07 0.38 -0.16 0.00 -2.50 0.00 0.00 54.97 52.62 1si8 s GLU 382 Cb -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 34.13 34.17 1si8 s GLU 382 CO -0.04 -0.07 1.16 -1.25 0.02 0.00 0.00 175.26 175.08 1si8 s PRO 383 N 0.42 2.69 0.24 4.30 0.05 -1.26 -5.21 135.00 136.23 1si8 s PRO 383 Ca -0.02 1.60 -0.09 0.00 0.05 0.00 0.00 61.00 62.53 1si8 s PRO 383 Cb -0.04 -1.92 -0.01 0.00 0.05 0.00 0.00 34.50 32.58 1si8 s PRO 383 CO -0.02 -1.38 0.38 0.54 0.05 0.00 0.00 177.00 176.57 1si8 s ASN 384 N -2.16 0.02 -0.29 6.66 2.20 -1.26 -5.06 114.94 115.05 1si8 s ASN 384 Ca 0.71 -1.09 0.07 0.00 -0.94 0.00 0.00 52.86 51.62 1si8 s ASN 384 Cb -0.25 0.53 0.62 0.00 -2.00 0.00 0.00 41.25 40.15 1si8 s ASN 384 CO 0.40 -1.06 1.66 -1.20 -2.94 0.00 0.00 177.10 173.95 1si8 n SER 385 N -0.40 4.27 -4.06 3.54 7.64 -1.26 -4.79 113.62 118.56 1si8 n SER 385 Ca -0.00 -3.07 -0.34 0.00 1.01 0.00 0.00 58.87 56.47 1si8 n SER 385 Cb 0.63 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.98 1si8 n SER 385 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1si8 s TYR 386 N -2.62 3.57 0.45 1.43 1.51 -1.26 -4.97 117.35 115.47 1si8 s TYR 386 Ca 0.47 -2.75 0.28 0.00 -1.01 0.00 0.00 57.07 54.05 1si8 s TYR 386 Cb 0.37 -3.08 1.34 0.00 -0.11 0.00 0.00 41.96 40.48 1si8 s TYR 386 CO 0.11 -0.92 1.71 1.15 -1.11 0.00 0.00 175.55 176.49 1si8 h THR 387 N 6.19 0.32 -0.01 -0.71 2.02 -2.02 -1.32 112.91 117.38 1si8 h THR 387 Ca -0.08 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1si8 h THR 387 Cb 1.01 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1si8 h THR 387 CO 0.64 0.03 -0.23 1.05 0.37 0.00 0.00 175.52 177.38 1si8 h GLU 388 N 0.19 0.01 -7.18 6.66 4.11 -2.00 -3.46 114.58 112.91 1si8 h GLU 388 Ca 0.69 -0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.62 1si8 h GLU 388 Cb 2.16 -0.00 0.08 0.00 0.50 0.00 0.00 28.75 31.49 1si8 h GLU 388 CO -0.28 0.24 0.38 0.95 0.07 0.00 0.00 179.01 180.38 1si8 s THR 389 N -4.52 3.46 0.20 -1.06 -4.23 -0.50 -4.96 115.64 104.03 1si8 s THR 389 Ca -0.04 0.71 -0.33 0.00 -1.18 0.00 0.00 61.69 60.86 1si8 s THR 389 Cb 0.15 -3.23 -0.14 0.00 1.34 0.00 0.00 72.50 70.62 1si8 s THR 389 CO 0.71 -0.39 1.37 -0.81 -0.54 0.00 0.00 174.62 174.96 1si8 n PRO 390 N -2.13 1.76 -4.25 3.99 -0.04 -1.26 -5.01 135.00 128.06 1si8 n PRO 390 Ca 0.10 0.63 -0.18 0.00 -0.04 0.00 0.00 63.50 64.01 1si8 n PRO 390 Cb 0.52 -2.27 -0.11 0.00 -0.04 0.00 0.00 33.50 31.61 1si8 n PRO 390 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1si8 s LYS 391 N -0.09 1.05 0.77 0.54 -0.14 -1.26 -5.04 119.74 115.57 1si8 s LYS 391 Ca 0.73 -1.27 -0.14 0.00 -1.36 0.00 0.00 55.97 53.92 1si8 s LYS 391 Cb -0.73 -0.91 0.06 0.00 -1.68 0.00 0.00 37.83 34.57 1si8 s LYS 391 CO 0.48 0.17 1.22 -1.83 -0.76 0.00 0.00 175.35 174.62 1si8 s GLU 392 N -2.79 1.85 -0.50 1.68 -1.05 -1.26 -4.99 118.70 111.64 1si8 s GLU 392 Ca 0.10 1.79 0.03 0.00 -0.15 0.00 0.00 54.97 56.75 1si8 s GLU 392 Cb -0.04 -1.80 0.13 0.00 -0.44 0.00 0.00 34.13 31.98 1si8 s GLU 392 CO 0.03 -2.06 0.24 0.34 0.95 0.00 0.00 175.26 174.75 1si8 s ASP 393 N -2.05 4.46 0.55 0.83 3.68 -1.26 -4.96 116.67 117.92 1si8 s ASP 393 Ca 0.74 -2.85 0.37 0.00 2.13 0.00 0.00 52.55 52.94 1si8 s ASP 393 Cb -0.30 -1.66 1.53 0.00 -1.45 0.00 0.00 42.92 41.05 1si8 s ASP 393 CO 0.48 -0.27 1.74 -0.65 0.13 0.00 0.00 175.17 176.61 1si8 h PRO 394 N 6.73 0.00 -0.10 4.34 0.11 -2.01 0.36 132.00 141.44 1si8 h PRO 394 Ca -0.07 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1si8 h PRO 394 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1si8 h PRO 394 CO 0.66 0.00 0.08 1.15 -0.21 0.00 0.00 178.00 179.68 1si8 h THR 395 N 0.00 0.83 -0.02 -1.15 2.02 -2.03 -2.23 112.91 110.32 1si8 h THR 395 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.76 1si8 h THR 395 Cb 2.44 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1si8 h THR 395 CO -0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1si8 n ALA 396 N -2.50 2.60 -1.67 6.16 0.00 0.13 -4.93 120.51 120.30 1si8 n ALA 396 Ca -0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1si8 n ALA 396 Cb 0.19 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1si8 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1si8 n LYS 397 N -0.14 1.57 -1.45 0.00 5.02 -0.84 -4.95 118.16 117.37 1si8 n LYS 397 Ca 0.20 0.57 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 1si8 n LYS 397 Cb 0.28 -2.30 0.08 0.00 -0.02 0.00 0.00 35.03 33.08 1si8 n LYS 397 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1si8 s ILE 398 N -1.29 3.49 0.16 -0.18 -4.36 -1.26 -4.97 121.20 112.79 1si8 s ILE 398 Ca 0.66 0.48 -0.30 0.00 -0.26 0.00 0.00 60.65 61.23 1si8 s ILE 398 Cb -0.49 -3.13 -0.08 0.00 1.25 0.00 0.00 42.46 40.01 1si8 s ILE 398 CO 0.54 -0.63 1.20 -0.94 0.24 0.00 0.00 174.94 175.35 1si8 s SER 399 N -3.67 7.09 0.39 4.36 1.04 -1.26 -5.00 113.70 116.65 1si8 s SER 399 Ca 0.60 2.20 -0.23 0.00 0.48 0.00 0.00 55.95 58.99 1si8 s SER 399 Cb -0.15 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.26 1si8 s SER 399 CO 0.55 -0.39 0.97 -0.94 0.98 0.00 0.00 173.24 174.41 1si8 s SER 400 N 0.29 7.03 0.04 7.02 1.04 -1.26 -5.06 113.70 122.79 1si8 s SER 400 Ca 0.54 1.81 -0.00 0.00 0.48 0.00 0.00 55.95 58.77 1si8 s SER 400 Cb -0.32 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.20 1si8 s SER 400 CO 0.35 -0.29 -0.03 0.72 0.98 0.00 0.00 173.24 174.96 1si8 s PHE 401 N -1.89 0.45 0.32 5.02 -0.71 -1.26 -5.15 117.98 114.76 1si8 s PHE 401 Ca 0.57 -0.86 -0.27 0.00 -1.04 0.00 0.00 56.93 55.33 1si8 s PHE 401 Cb -0.15 -0.33 -0.09 0.00 -1.21 0.00 0.00 43.02 41.24 1si8 s PHE 401 CO 0.19 -0.30 1.06 -2.00 -1.34 0.00 0.00 175.22 172.84 1si8 s GLU 402 N -2.99 4.50 0.01 1.99 2.12 -1.26 -5.06 118.70 118.01 1si8 s GLU 402 Ca -0.01 1.65 0.06 0.00 0.36 0.00 0.00 54.97 57.03 1si8 s GLU 402 Cb 0.01 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1si8 s GLU 402 CO -0.06 0.13 -0.17 0.54 -0.54 0.00 0.00 175.26 175.16 1si8 s VAL 403 N -1.35 2.85 0.08 3.70 0.11 -1.26 -5.14 120.40 119.39 1si8 s VAL 403 Ca 0.49 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1si8 s VAL 403 Cb -0.27 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 1si8 s VAL 403 CO 0.35 0.42 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.78 1si8 s GLU 404 N -1.21 0.73 3.53 1.54 2.12 -1.26 -5.12 118.70 119.03 1si8 s GLU 404 Ca 0.14 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.21 1si8 s GLU 404 Cb -0.11 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1si8 s GLU 404 CO 0.04 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1si8 n GLY 405 N 0.11 0.23 3.70 -1.50 0.00 -1.26 -4.91 105.19 101.56 1si8 n GLY 405 Ca -0.13 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1si8 n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 406 N -4.00 5.02 0.16 1.61 0.01 -1.26 -5.09 114.94 111.39 1si8 s ASN 406 Ca 0.00 -0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.57 1si8 s ASN 406 Cb 0.00 -1.17 -0.08 0.00 0.41 0.00 0.00 41.25 40.42 1si8 s ASN 406 CO 0.00 0.11 1.22 -0.69 -1.51 0.00 0.00 177.10 176.23 1si8 s VAL 407 N -1.63 3.60 -0.38 1.60 1.01 -1.26 -4.94 120.40 118.40 1si8 s VAL 407 Ca 0.28 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1si8 s VAL 407 Cb -0.10 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1si8 s VAL 407 CO 0.20 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1si8 n GLY 408 N 2.50 -1.23 3.28 4.51 0.00 -1.26 -5.09 105.19 107.90 1si8 n GLY 408 Ca 0.06 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.69 1si8 n GLY 408 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 409 N -1.75 6.29 0.04 1.61 0.01 -1.26 -5.06 114.94 114.82 1si8 s ASN 409 Ca 0.00 -2.34 -0.08 0.00 -0.71 0.00 0.00 52.86 49.73 1si8 s ASN 409 Cb 0.00 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 1si8 s ASN 409 CO 0.00 -0.65 0.33 -0.31 -1.51 0.00 0.00 177.10 174.95 1si8 s TYR 410 N 0.72 3.58 0.31 2.20 1.51 -1.26 -5.10 117.35 119.31 1si8 s TYR 410 Ca 0.12 0.67 0.04 0.00 -1.01 0.00 0.00 57.07 56.89 1si8 s TYR 410 Cb -0.19 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1si8 s TYR 410 CO -0.04 0.57 0.46 -1.12 -1.11 0.00 0.00 175.55 174.31 1si8 s SER 411 N -1.72 6.18 0.63 2.29 0.01 -1.26 -5.12 113.70 114.72 1si8 s SER 411 Ca 0.30 0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.73 1si8 s SER 411 Cb -0.14 -1.72 0.11 0.00 0.21 0.00 0.00 66.02 64.49 1si8 s SER 411 CO 0.17 -0.27 0.86 -1.22 0.41 0.00 0.00 173.24 173.19 1si8 n TYR 412 N -1.62 -2.57 -0.78 2.43 4.01 -1.26 -5.09 117.16 112.28 1si8 n TYR 412 Ca -0.05 -1.92 -0.33 0.00 -0.16 0.00 0.00 57.90 55.44 1si8 n TYR 412 Cb 0.57 -0.61 0.13 0.00 -0.31 0.00 0.00 39.34 39.12 1si8 n TYR 412 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1si8 n ASN 413 N -2.58 -2.62 -0.02 7.72 5.15 -1.26 -4.97 115.26 116.68 1si8 n ASN 413 Ca 0.16 0.10 0.02 0.00 -0.60 0.00 0.00 54.58 54.26 1si8 n ASN 413 Cb 0.58 -1.01 0.03 0.00 -0.53 0.00 0.00 39.78 38.84 1si8 n ASN 413 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 414 N -1.19 2.40 -1.55 1.20 6.02 -1.26 -4.86 117.38 118.13 1si8 n GLN 414 Ca 0.03 -1.64 -0.41 0.00 -0.01 0.00 0.00 57.00 54.97 1si8 n GLN 414 Cb 0.59 -1.06 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 1si8 n GLN 414 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1si8 n ASP 415 N -0.64 4.39 -0.14 1.08 2.03 -1.26 -4.60 116.55 117.40 1si8 n ASP 415 Ca 0.03 -2.76 0.13 0.00 0.52 0.00 0.00 54.79 52.72 1si8 n ASP 415 Cb 0.35 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.66 1si8 n ASP 415 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1si8 n HIS 416 N 5.89 0.00 -0.06 -0.67 8.25 -1.26 -4.51 115.22 122.86 1si8 n HIS 416 Ca 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.95 1si8 n HIS 416 Cb 0.36 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 1si8 n HIS 416 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1si8 n PHE 417 N -0.96 0.00 0.03 4.41 3.72 -1.26 -4.49 117.46 118.90 1si8 n PHE 417 Ca 0.11 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1si8 n PHE 417 Cb 0.32 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 1si8 n PHE 417 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1si8 h THR 418 N 0.00 0.16 -0.07 4.37 2.02 -1.91 -0.99 112.91 116.50 1si8 h THR 418 Ca -0.28 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1si8 h THR 418 Cb 1.56 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1si8 h THR 418 CO -0.01 0.00 -0.28 1.56 0.37 0.00 0.00 175.52 177.16 1si8 h GLN 419 N -0.52 0.12 -0.39 6.66 4.20 -1.87 -1.25 115.11 122.06 1si8 h GLN 419 Ca 0.06 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1si8 h GLN 419 Cb 0.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1si8 h GLN 419 CO -0.36 0.40 -0.25 0.00 -0.67 0.00 0.00 178.83 177.95 1si8 h ALA 420 N 1.61 0.81 -0.49 3.87 0.00 -1.75 -2.11 119.26 121.21 1si8 h ALA 420 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1si8 h ALA 420 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1si8 h ALA 420 CO 0.04 0.65 -0.06 -0.97 0.00 0.00 0.00 179.25 178.91 1si8 h ASN 421 N 0.70 0.89 -0.58 0.00 -1.24 -0.65 -0.12 115.58 114.58 1si8 h ASN 421 Ca 0.09 -0.34 0.04 0.00 0.71 0.00 0.00 56.30 56.80 1si8 h ASN 421 Cb 0.78 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.54 1si8 h ASN 421 CO 0.06 1.02 0.33 0.00 -1.29 0.00 0.00 177.43 177.55 1si8 h ALA 422 N 0.91 0.75 -0.23 1.57 0.00 -1.04 0.23 119.26 121.45 1si8 h ALA 422 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1si8 h ALA 422 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1si8 h ALA 422 CO 0.04 0.02 0.04 1.25 0.00 0.00 0.00 179.25 180.60 1si8 h LEU 423 N 0.63 0.35 -1.28 0.00 5.85 -1.17 -2.40 115.31 117.30 1si8 h LEU 423 Ca 0.25 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1si8 h LEU 423 Cb 0.10 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1si8 h LEU 423 CO -0.14 0.51 0.54 0.22 -0.34 0.00 0.00 178.44 179.23 1si8 h TYR 424 N 0.18 0.86 0.00 1.25 5.03 -0.47 -0.98 116.97 122.84 1si8 h TYR 424 Ca 0.07 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 1si8 h TYR 424 Cb 0.30 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1si8 h TYR 424 CO 0.02 0.41 -0.19 -0.91 -1.32 0.00 0.00 178.16 176.16 1si8 h ASN 425 N 0.81 0.00 1.40 -2.11 2.35 -0.68 -3.18 115.58 114.17 1si8 h ASN 425 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1si8 h ASN 425 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1si8 h ASN 425 CO -0.15 0.19 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.40 1si8 h LEU 426 N 0.00 0.00 -9.52 1.61 3.38 -0.68 -3.46 115.31 106.63 1si8 h LEU 426 Ca -0.00 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.39 1si8 h LEU 426 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1si8 h LEU 426 CO 0.02 0.03 0.61 -0.76 0.09 0.00 0.00 178.44 178.43 1si8 s LEU 427 N -5.14 4.38 0.60 1.67 1.43 -1.02 -5.00 118.68 115.59 1si8 s LEU 427 Ca 0.06 2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 55.11 1si8 s LEU 427 Cb 0.10 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1si8 s LEU 427 CO 0.69 -0.52 1.20 -2.16 0.23 0.00 0.00 176.35 175.79 1si8 s PRO 428 N 0.94 2.95 0.30 1.29 0.04 -1.26 -4.68 135.00 134.58 1si8 s PRO 428 Ca 0.60 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.46 1si8 s PRO 428 Cb -0.32 -1.93 0.72 0.00 0.04 0.00 0.00 34.50 33.01 1si8 s PRO 428 CO 0.30 -1.22 1.58 0.66 0.04 0.00 0.00 177.00 178.36 1si8 h SER 429 N 0.84 -0.47 -0.46 6.66 4.64 -1.98 0.10 113.55 122.88 1si8 h SER 429 Ca -0.50 0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1si8 h SER 429 Cb 1.30 0.48 -0.02 0.00 -0.31 0.00 0.00 62.40 63.84 1si8 h SER 429 CO 0.55 -0.34 0.09 1.05 -0.87 0.00 0.00 176.83 177.31 1si8 h GLU 430 N 0.02 0.82 0.00 4.77 9.09 -2.01 -2.12 114.58 125.16 1si8 h GLU 430 Ca 0.58 -0.18 -0.15 0.00 0.05 0.00 0.00 59.36 59.66 1si8 h GLU 430 Cb 1.17 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 1si8 h GLU 430 CO -0.90 0.77 -0.71 1.49 0.05 0.00 0.00 179.01 179.71 1si8 h GLU 431 N 0.78 0.00 -0.61 1.06 4.81 -1.19 -2.96 114.58 116.47 1si8 h GLU 431 Ca 0.17 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1si8 h GLU 431 Cb 0.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1si8 h GLU 431 CO 0.01 0.71 0.03 0.87 -0.73 0.00 0.00 179.01 179.89 1si8 h LYS 432 N 0.00 1.07 -0.71 1.92 1.57 -0.82 0.95 116.57 120.55 1si8 h LYS 432 Ca -0.01 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1si8 h LYS 432 Cb 1.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1si8 h LYS 432 CO 0.09 1.03 0.29 1.49 -0.57 0.00 0.00 179.45 181.78 1si8 h GLU 433 N 0.97 1.05 -0.45 3.15 4.57 -1.36 -0.58 114.58 121.93 1si8 h GLU 433 Ca 0.18 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1si8 h GLU 433 Cb 0.53 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1si8 h GLU 433 CO 0.03 0.85 -0.02 -0.91 -1.18 0.00 0.00 179.01 177.77 1si8 h ASN 434 N 1.03 0.79 -0.19 1.04 2.35 -1.27 -0.22 115.58 119.11 1si8 h ASN 434 Ca 0.24 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1si8 h ASN 434 Cb 0.19 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1si8 h ASN 434 CO -0.02 0.92 -0.06 0.25 -1.65 0.00 0.00 177.43 176.87 1si8 h LEU 435 N 0.65 -0.21 -0.22 1.61 7.12 -0.32 0.32 115.31 124.25 1si8 h LEU 435 Ca 0.12 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1si8 h LEU 435 Cb 0.53 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1si8 h LEU 435 CO 0.03 -0.08 0.09 0.40 -0.13 0.00 0.00 178.44 178.75 1si8 h ILE 436 N -0.02 1.16 -0.50 4.05 1.08 -0.97 -1.93 117.51 120.39 1si8 h ILE 436 Ca 0.10 -0.50 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 1si8 h ILE 436 Cb 0.16 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1si8 h ILE 436 CO -0.21 0.16 0.06 0.78 -0.69 0.00 0.00 178.15 178.26 1si8 h ASN 437 N 0.21 0.76 -0.45 1.72 2.35 -0.71 0.13 115.58 119.58 1si8 h ASN 437 Ca 0.07 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1si8 h ASN 437 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1si8 h ASN 437 CO -0.01 0.78 0.15 0.78 -1.65 0.00 0.00 177.43 177.49 1si8 h ASN 438 N 0.76 0.65 -0.22 5.81 2.35 -0.21 -0.49 115.58 124.23 1si8 h ASN 438 Ca 0.16 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1si8 h ASN 438 Cb 0.37 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1si8 h ASN 438 CO 0.01 0.68 0.02 0.40 -1.65 0.00 0.00 177.43 176.88 1si8 h ILE 439 N 0.59 1.24 -0.48 2.81 2.04 -0.98 -2.80 117.51 119.94 1si8 h ILE 439 Ca 0.15 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.24 1si8 h ILE 439 Cb 0.25 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1si8 h ILE 439 CO -0.01 0.26 0.21 0.00 0.00 0.00 0.00 178.15 178.61 1si8 h ALA 440 N 0.82 0.60 -0.43 1.87 0.00 -0.59 0.48 119.26 122.01 1si8 h ALA 440 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1si8 h ALA 440 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1si8 h ALA 440 CO 0.01 -0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.38 1si8 h ALA 441 N 1.29 1.84 0.00 0.00 0.00 -1.02 0.43 119.26 121.80 1si8 h ALA 441 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1si8 h ALA 441 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1si8 h ALA 441 CO -0.19 0.10 -0.36 1.03 0.00 0.00 0.00 179.25 179.83 1si8 h SER 442 N 0.45 0.00 -0.15 0.00 0.87 -1.05 -3.37 113.55 110.30 1si8 h SER 442 Ca 0.18 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1si8 h SER 442 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1si8 h SER 442 CO -0.04 0.61 0.10 0.25 -0.53 0.00 0.00 176.83 177.22 1si8 h LEU 443 N -0.86 0.08 -1.54 2.23 5.85 -0.14 -1.27 115.31 119.66 1si8 h LEU 443 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1si8 h LEU 443 Cb 0.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1si8 h LEU 443 CO 0.00 0.06 0.00 1.23 -0.34 0.00 0.00 178.44 179.39 1si8 h GLY 444 N 0.09 0.00 1.51 3.75 0.00 -0.26 -1.94 103.07 106.22 1si8 h GLY 444 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1si8 h GLY 444 CO -0.01 0.00 -0.28 -1.06 0.00 0.00 0.00 176.54 175.19 1si8 n GLN 445 N -2.51 0.08 -2.21 4.80 6.02 -0.48 -4.88 117.38 118.21 1si8 n GLN 445 Ca -0.01 0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.63 1si8 n GLN 445 Cb 0.12 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 1si8 n GLN 445 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1si8 s VAL 446 N -3.04 2.94 -0.20 5.09 1.01 -0.73 -4.82 120.40 120.65 1si8 s VAL 446 Ca 0.11 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1si8 s VAL 446 Cb 0.17 -3.53 -0.20 0.00 0.00 0.00 0.00 36.38 32.81 1si8 s VAL 446 CO 0.63 0.15 0.09 0.29 0.00 0.00 0.00 175.10 176.26 1si8 n LYS 447 N 0.48 0.66 -1.77 2.72 4.76 -1.26 -4.84 118.16 118.92 1si8 n LYS 447 Ca 0.02 0.31 -0.39 0.00 -2.87 0.00 0.00 58.31 55.38 1si8 n LYS 447 Cb 0.44 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1si8 n LYS 447 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1si8 s ASN 448 N -6.95 5.06 0.54 4.39 3.84 -1.26 -4.82 114.94 115.73 1si8 s ASN 448 Ca -0.29 1.05 0.22 0.00 0.21 0.00 0.00 52.86 54.04 1si8 s ASN 448 Cb 0.08 -2.51 1.43 0.00 -0.55 0.00 0.00 41.25 39.70 1si8 s ASN 448 CO 0.65 -2.41 2.13 1.56 -2.79 0.00 0.00 177.10 176.24 1si8 h GLN 449 N 16.53 0.00 -0.05 0.43 4.20 -2.00 -0.91 115.11 133.31 1si8 h GLN 449 Ca -0.29 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 1si8 h GLN 449 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1si8 h GLN 449 CO 1.12 0.00 -0.36 0.93 -0.67 0.00 0.00 178.83 179.85 1si8 h GLU 450 N 0.00 0.10 -0.11 1.46 5.08 -1.99 -1.12 114.58 117.99 1si8 h GLU 450 Ca 0.06 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1si8 h GLU 450 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1si8 h GLU 450 CO -0.00 0.45 -0.42 0.82 -1.00 0.00 0.00 179.01 178.85 1si8 h ILE 451 N 0.09 1.38 -0.51 3.13 2.04 -1.56 -2.15 117.51 119.92 1si8 h ILE 451 Ca 0.01 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 1si8 h ILE 451 Cb 0.68 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1si8 h ILE 451 CO 0.05 0.52 0.28 0.40 0.00 0.00 0.00 178.15 179.41 1si8 h ILE 452 N 0.06 1.17 -0.27 -0.67 2.04 -1.31 -1.17 117.51 117.36 1si8 h ILE 452 Ca -0.02 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1si8 h ILE 452 Cb 1.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1si8 h ILE 452 CO 0.09 0.18 0.13 0.00 0.00 0.00 0.00 178.15 178.55 1si8 h ALA 453 N 1.12 0.35 -0.60 1.87 0.00 -1.24 0.15 119.26 120.90 1si8 h ALA 453 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1si8 h ALA 453 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1si8 h ALA 453 CO -0.03 -0.10 0.36 -0.09 0.00 0.00 0.00 179.25 179.40 1si8 h ARG 454 N 0.30 0.69 -0.37 0.00 2.43 -1.21 0.22 114.38 116.44 1si8 h ARG 454 Ca 0.09 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1si8 h ARG 454 Cb 0.11 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1si8 h ARG 454 CO -0.01 0.45 0.00 0.37 -1.51 0.00 0.00 179.97 179.27 1si8 h GLN 455 N 0.71 0.65 -0.68 0.20 5.75 -0.89 -2.30 115.11 118.55 1si8 h GLN 455 Ca 0.25 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1si8 h GLN 455 Cb 0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1si8 h GLN 455 CO -0.11 0.75 0.31 0.82 -2.65 0.00 0.00 178.83 177.95 1si8 h ILE 456 N 0.47 1.22 -0.22 2.39 2.04 -0.32 -0.84 117.51 122.25 1si8 h ILE 456 Ca 0.10 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1si8 h ILE 456 Cb 0.46 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1si8 h ILE 456 CO 0.02 0.27 -0.04 0.44 0.00 0.00 0.00 178.15 178.84 1si8 h ASP 457 N 0.97 0.31 -0.22 1.72 3.32 -0.75 0.40 116.42 122.18 1si8 h ASP 457 Ca 0.23 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1si8 h ASP 457 Cb 0.13 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1si8 h ASP 457 CO -0.03 0.40 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.81 1si8 h LEU 458 N 0.33 0.39 -0.73 1.55 4.07 -0.63 -1.51 115.31 118.77 1si8 h LEU 458 Ca 0.07 -0.33 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 1si8 h LEU 458 Cb 0.29 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 1si8 h LEU 458 CO 0.01 0.63 0.11 -0.26 -1.08 0.00 0.00 178.44 177.84 1si8 h PHE 459 N 0.14 1.14 -0.66 1.13 0.04 -0.75 -2.21 116.94 115.78 1si8 h PHE 459 Ca 0.06 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.69 1si8 h PHE 459 Cb 0.44 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1si8 h PHE 459 CO 0.04 0.96 0.43 1.15 -0.60 0.00 0.00 178.31 180.29 1si8 h THR 460 N 1.01 1.14 0.00 -1.55 2.02 -0.80 -0.31 112.91 114.42 1si8 h THR 460 Ca 0.20 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1si8 h THR 460 Cb 0.43 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1si8 h THR 460 CO 0.01 0.16 -0.13 0.03 0.37 0.00 0.00 175.52 175.96 1si8 h ARG 461 N 0.85 0.00 -0.01 6.66 3.08 -0.67 -2.60 114.38 121.70 1si8 h ARG 461 Ca 0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 1si8 h ARG 461 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1si8 h ARG 461 CO -0.06 0.13 -0.15 0.28 -1.07 0.00 0.00 179.97 179.10 1si8 h VAL 462 N 0.00 1.56 -1.83 2.04 2.07 -0.72 -3.47 116.25 115.91 1si8 h VAL 462 Ca -0.00 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 65.73 1si8 h VAL 462 Cb 0.64 2.74 -0.22 0.00 -1.52 0.00 0.00 31.29 32.93 1si8 h VAL 462 CO 0.02 0.50 0.09 0.21 0.02 0.00 0.00 177.57 178.40 1si8 s ASN 463 N -6.17 -0.86 0.28 0.57 2.47 -0.62 -4.55 114.94 106.06 1si8 s ASN 463 Ca -0.16 1.33 0.03 0.00 0.42 0.00 0.00 52.86 54.47 1si8 s ASN 463 Cb 0.00 1.54 0.66 0.00 -1.45 0.00 0.00 41.25 42.01 1si8 s ASN 463 CO 0.72 -0.20 1.73 -0.65 -3.72 0.00 0.00 177.10 174.98 1si8 h PRO 464 N 7.02 0.53 -0.56 0.43 0.11 -1.72 -0.72 132.00 137.09 1si8 h PRO 464 Ca -0.26 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1si8 h PRO 464 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1si8 h PRO 464 CO 0.15 0.35 0.08 1.49 -0.21 0.00 0.00 178.00 179.86 1si8 h GLU 465 N 0.54 0.94 0.28 1.05 4.81 -1.91 -1.10 114.58 119.20 1si8 h GLU 465 Ca 0.53 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1si8 h GLU 465 Cb 0.89 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 1si8 h GLU 465 CO -0.44 0.91 -0.52 -0.92 -0.73 0.00 0.00 179.01 177.30 1si8 h TYR 466 N 0.83 -1.49 -0.82 0.92 5.03 -1.42 0.28 116.97 120.30 1si8 h TYR 466 Ca 0.17 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 1si8 h TYR 466 Cb 0.43 0.61 -0.04 0.00 1.55 0.00 0.00 36.73 39.28 1si8 h TYR 466 CO 0.03 -0.64 0.50 0.78 -1.32 0.00 0.00 178.16 177.51 1si8 h GLY 467 N -0.87 1.19 0.97 1.82 0.00 -1.43 -1.87 103.07 102.89 1si8 h GLY 467 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1si8 h GLY 467 CO -0.20 0.48 0.05 0.00 0.00 0.00 0.00 176.54 176.87 1si8 h ALA 468 N 1.27 0.10 -0.90 3.60 0.00 -0.78 -1.22 119.26 121.32 1si8 h ALA 468 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1si8 h ALA 468 Cb -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1si8 h ALA 468 CO -0.06 -0.39 0.58 0.00 0.00 0.00 0.00 179.25 179.38 1si8 h ARG 469 N 0.08 1.20 -0.09 0.00 3.08 -0.27 -0.55 114.38 117.84 1si8 h ARG 469 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1si8 h ARG 469 Cb 0.02 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1si8 h ARG 469 CO -0.01 0.81 0.03 0.28 -1.07 0.00 0.00 179.97 180.02 1si8 h VAL 470 N 1.23 1.17 -0.79 2.04 2.07 -1.11 -0.81 116.25 120.05 1si8 h VAL 470 Ca 0.33 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1si8 h VAL 470 Cb -0.11 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1si8 h VAL 470 CO -0.07 0.15 0.52 0.00 0.02 0.00 0.00 177.57 178.19 1si8 h ALA 471 N 0.84 1.51 -0.42 1.67 0.00 -0.99 -2.43 119.26 119.44 1si8 h ALA 471 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1si8 h ALA 471 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1si8 h ALA 471 CO -0.00 0.42 -0.03 0.37 0.00 0.00 0.00 179.25 180.01 1si8 h GLN 472 N 0.99 0.77 -0.32 0.00 4.15 -0.81 -2.72 115.11 117.16 1si8 h GLN 472 Ca 0.31 -0.26 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1si8 h GLN 472 Cb 0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1si8 h GLN 472 CO -0.09 0.86 -0.07 0.00 -1.93 0.00 0.00 178.83 177.60 1si8 h ALA 473 N 0.88 1.27 -0.27 3.38 0.00 -0.71 -2.97 119.26 120.84 1si8 h ALA 473 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1si8 h ALA 473 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1si8 h ALA 473 CO 0.03 0.48 -0.24 0.82 0.00 0.00 0.00 179.25 180.34 1si8 h ILE 474 N 0.50 1.31 -0.89 0.00 2.04 -1.37 -2.95 117.51 116.14 1si8 h ILE 474 Ca 0.10 -1.39 0.16 0.00 1.00 0.00 0.00 64.86 64.73 1si8 h ILE 474 Cb 0.44 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1si8 h ILE 474 CO 0.02 0.44 0.57 0.50 0.00 0.00 0.00 178.15 179.69 1si8 h LYS 475 N 0.37 0.58 -0.63 2.37 3.64 -1.34 -1.01 116.57 120.56 1si8 h LYS 475 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1si8 h LYS 475 Cb 0.79 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1si8 h LYS 475 CO 0.06 0.39 0.00 1.04 -2.27 0.00 0.00 179.45 178.67 1si8 n GLN 476 N -4.56 0.55 0.00 1.90 6.02 -1.11 -5.13 117.38 115.05 1si8 n GLN 476 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1si8 n GLN 476 Cb 0.54 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1si8 n GLN 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09