#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rii s THR 4 N 0.00 2.88 0.77 5.53 2.01 -1.26 -3.11 115.64 122.45 1rii s THR 4 Ca 0.00 0.83 -0.11 0.00 0.31 0.00 0.00 61.69 62.72 1rii s THR 4 Cb 0.00 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 69.03 1rii s THR 4 CO 0.00 0.18 1.09 -0.83 -0.69 0.00 0.00 174.62 174.37 1rii s GLY 5 N -0.27 1.69 0.33 4.40 0.00 0.69 -4.83 107.32 109.33 1rii s GLY 5 Ca 0.51 0.27 -0.27 0.00 0.00 0.00 0.00 44.72 45.23 1rii s GLY 5 CO 0.48 0.62 1.07 -0.56 0.00 0.00 0.00 173.10 174.70 1rii s SER 6 N -3.37 7.07 -0.21 1.64 0.01 -1.25 -4.55 113.70 113.05 1rii s SER 6 Ca 0.61 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.99 1rii s SER 6 Cb -0.17 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.44 1rii s SER 6 CO 0.55 -0.27 -0.06 -0.22 0.41 0.00 0.00 173.24 173.65 1rii s LEU 7 N -1.95 2.83 -0.21 2.44 2.96 -0.64 -1.03 118.68 123.08 1rii s LEU 7 Ca 0.50 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1rii s LEU 7 Cb -0.27 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1rii s LEU 7 CO 0.34 0.00 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.60 1rii s VAL 8 N 1.33 2.98 -0.10 1.68 1.01 0.86 0.24 120.40 128.40 1rii s VAL 8 Ca 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1rii s VAL 8 Cb -0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1rii s VAL 8 CO -0.03 0.46 0.07 -0.76 0.00 0.00 0.00 175.10 174.84 1rii s LEU 9 N 1.38 3.98 -0.04 3.92 1.43 -0.00 -0.61 118.68 128.73 1rii s LEU 9 Ca 0.05 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1rii s LEU 9 Cb -0.14 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1rii s LEU 9 CO -0.06 0.39 0.05 -0.22 0.23 0.00 0.00 176.35 176.75 1rii s LEU 10 N -0.95 0.28 -0.21 1.79 2.96 0.35 -0.71 118.68 122.20 1rii s LEU 10 Ca 0.14 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.95 1rii s LEU 10 Cb -0.12 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 1rii s LEU 10 CO 0.03 -0.23 0.42 -0.60 -1.32 0.00 0.00 176.35 174.65 1rii s ARG 11 N 2.03 4.17 0.85 1.98 3.52 -1.26 -1.61 118.95 128.62 1rii s ARG 11 Ca 0.03 0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 1rii s ARG 11 Cb -0.12 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1rii s ARG 11 CO -0.03 -0.08 1.06 -2.39 -0.81 0.00 0.00 175.30 173.05 1rii n HIS 12 N 4.59 0.74 -0.79 5.12 1.44 -1.10 -0.77 115.22 124.45 1rii n HIS 12 Ca -0.08 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 1rii n HIS 12 Cb 0.51 -2.03 0.00 0.00 0.12 0.00 0.00 29.99 28.59 1rii n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rii n GLY 13 N 0.64 -0.25 3.68 -1.39 0.00 -1.26 -4.44 105.19 102.17 1rii n GLY 13 Ca 0.12 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 1rii n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rii n GLU 14 N -0.34 2.24 -3.06 1.61 2.13 -1.26 -4.88 120.64 117.08 1rii n GLU 14 Ca 0.00 0.82 -0.18 0.00 0.66 0.00 0.00 57.16 58.45 1rii n GLU 14 Cb 0.00 -2.63 0.03 0.00 0.27 0.00 0.00 31.44 29.11 1rii n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1rii s SER 15 N 2.39 5.39 0.31 4.31 1.04 -1.26 -1.73 113.70 124.15 1rii s SER 15 Ca 0.85 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 1rii s SER 15 Cb -0.66 -0.25 0.49 0.00 0.10 0.00 0.00 66.02 65.70 1rii s SER 15 CO 0.43 -1.00 1.92 0.44 0.98 0.00 0.00 173.24 176.02 1rii h ASP 16 N 0.47 0.79 1.44 7.02 3.32 -1.21 -2.16 116.42 126.10 1rii h ASP 16 Ca -0.36 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 1rii h ASP 16 Cb 1.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1rii h ASP 16 CO 0.44 0.66 -0.57 -0.50 -1.72 0.00 0.00 179.24 177.55 1rii h TRP 17 N 0.88 0.00 -0.45 4.55 4.06 -1.91 -2.17 115.95 120.92 1rii h TRP 17 Ca 0.22 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.20 1rii h TRP 17 Cb 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 1rii h TRP 17 CO 0.01 0.44 0.25 -0.91 -3.56 0.00 0.00 178.44 174.67 1rii h ASN 18 N 0.00 0.40 -0.37 -3.49 -0.26 -1.73 0.23 115.58 110.36 1rii h ASN 18 Ca -0.02 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1rii h ASN 18 Cb 1.36 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.52 1rii h ASN 18 CO 0.05 0.28 0.18 0.00 -1.06 0.00 0.00 177.43 176.88 1rii h ALA 19 N 1.21 1.53 -0.00 -0.83 0.00 -0.95 -1.96 119.26 118.26 1rii h ALA 19 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rii h ALA 19 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rii h ALA 19 CO -0.10 0.37 -0.20 1.28 0.00 0.00 0.00 179.25 180.59 1rii n LEU 20 N -4.38 0.54 -3.20 0.00 4.77 -0.85 -4.96 117.00 108.90 1rii n LEU 20 Ca 0.03 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 1rii n LEU 20 Cb 0.14 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1rii n LEU 20 CO 0.37 0.11 0.17 -3.20 -1.33 0.00 0.00 177.39 173.50 1rii n ASN 21 N -1.07 -4.17 -4.65 -1.43 5.15 0.62 -4.90 115.26 104.82 1rii n ASN 21 Ca 0.11 -0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 53.27 1rii n ASN 21 Cb 0.31 -4.55 -0.09 0.00 -0.53 0.00 0.00 39.78 34.91 1rii n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1rii s LEU 22 N -6.26 3.35 0.10 1.20 1.43 -0.06 -1.38 118.68 117.05 1rii s LEU 22 Ca 0.29 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 1rii s LEU 22 Cb -0.13 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.02 1rii s LEU 22 CO 0.65 0.25 1.82 -0.36 0.23 0.00 0.00 176.35 178.94 1rii s PHE 23 N -1.12 2.05 -0.14 0.29 0.08 -0.60 -4.56 117.98 113.99 1rii s PHE 23 Ca 0.20 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.11 1rii s PHE 23 Cb -0.11 -4.15 -0.06 0.00 -0.57 0.00 0.00 43.02 38.13 1rii s PHE 23 CO 0.11 -4.80 -0.24 2.41 -0.10 0.00 0.00 175.22 172.60 1rii n THR 24 N 4.88 1.23 -2.27 0.64 -1.04 -1.26 -1.07 114.28 115.40 1rii n THR 24 Ca 0.18 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1rii n THR 24 Cb 0.39 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1rii n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rii n GLY 25 N 1.98 2.42 0.14 3.41 0.00 -1.26 -1.85 105.19 110.03 1rii n GLY 25 Ca -0.22 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.55 1rii n GLY 25 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rii n TRP 26 N 13.40 0.00 -1.76 1.61 7.02 -1.26 -4.75 117.44 131.70 1rii n TRP 26 Ca 0.00 -0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1rii n TRP 26 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1rii n TRP 26 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1rii s VAL 27 N -2.00 2.12 -1.29 -0.99 1.01 -0.77 -4.86 120.40 113.62 1rii s VAL 27 Ca 0.45 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1rii s VAL 27 Cb 0.22 -3.06 0.15 0.00 0.00 0.00 0.00 36.38 33.69 1rii s VAL 27 CO 0.36 0.01 2.26 -0.67 0.00 0.00 0.00 175.10 177.05 1rii n ASP 28 N 3.88 7.61 -4.87 3.32 2.03 -1.26 -4.99 116.55 122.27 1rii n ASP 28 Ca 0.15 -3.19 -0.31 0.00 0.52 0.00 0.00 54.79 51.96 1rii n ASP 28 Cb 0.36 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1rii n ASP 28 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1rii s VAL 29 N -1.29 4.72 0.77 5.18 1.01 -1.26 -4.77 120.40 124.75 1rii s VAL 29 Ca 0.51 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 1rii s VAL 29 Cb 0.17 -3.85 0.14 0.00 0.00 0.00 0.00 36.38 32.84 1rii s VAL 29 CO -0.08 -1.03 1.07 -0.83 0.00 0.00 0.00 175.10 174.22 1rii s GLY 30 N -3.99 1.76 0.19 4.51 0.00 -1.26 -3.53 107.32 105.00 1rii s GLY 30 Ca 0.54 -1.54 -0.22 0.00 0.00 0.00 0.00 44.72 43.50 1rii s GLY 30 CO 0.49 -0.95 0.73 1.08 0.00 0.00 0.00 173.10 174.45 1rii s LEU 31 N -5.31 4.45 0.99 0.66 1.43 -1.26 -0.74 118.68 118.90 1rii s LEU 31 Ca 0.67 1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 1rii s LEU 31 Cb -0.05 -3.42 0.19 0.00 0.03 0.00 0.00 46.19 42.93 1rii s LEU 31 CO 0.46 0.12 1.16 0.42 0.23 0.00 0.00 176.35 178.74 1rii s THR 32 N -1.35 1.91 0.22 5.49 -4.23 -0.70 -4.68 115.64 112.29 1rii s THR 32 Ca 0.39 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1rii s THR 32 Cb -0.19 -2.71 0.17 0.00 1.34 0.00 0.00 72.50 71.11 1rii s THR 32 CO 0.23 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.50 1rii h ASP 33 N -1.80 0.33 -0.90 3.99 3.32 -1.98 -0.97 116.42 118.41 1rii h ASP 33 Ca -0.49 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1rii h ASP 33 Cb 1.31 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1rii h ASP 33 CO 0.51 0.18 0.55 0.50 -1.72 0.00 0.00 179.24 179.27 1rii h LYS 34 N 0.49 1.21 -0.74 3.56 3.11 -1.92 -0.90 116.57 121.38 1rii h LYS 34 Ca 0.34 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 1rii h LYS 34 Cb 0.42 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1rii h LYS 34 CO -0.31 0.84 0.41 0.78 -2.81 0.00 0.00 179.45 178.36 1rii h GLY 35 N 1.23 1.10 1.03 5.01 0.00 -1.35 -0.88 103.07 109.21 1rii h GLY 35 Ca 0.32 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1rii h GLY 35 CO -0.06 0.46 -0.20 1.46 0.00 0.00 0.00 176.54 178.20 1rii h GLN 36 N 1.04 0.84 -0.67 4.80 4.20 -0.75 -2.37 115.11 122.18 1rii h GLN 36 Ca 0.26 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1rii h GLN 36 Cb 0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1rii h GLN 36 CO -0.04 1.01 0.25 0.00 -0.67 0.00 0.00 178.83 179.37 1rii h ALA 37 N 0.81 1.17 -0.73 3.87 0.00 -0.69 -2.34 119.26 121.36 1rii h ALA 37 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rii h ALA 37 Cb 0.76 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1rii h ALA 37 CO 0.06 0.59 0.44 0.93 0.00 0.00 0.00 179.25 181.27 1rii h GLU 38 N 0.98 0.99 -0.62 0.00 5.08 -1.11 -2.48 114.58 117.42 1rii h GLU 38 Ca 0.22 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1rii h GLU 38 Cb 0.22 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1rii h GLU 38 CO -0.02 0.70 0.25 0.00 -1.00 0.00 0.00 179.01 178.95 1rii h ALA 39 N 1.23 0.80 -0.82 3.43 0.00 -1.04 0.41 119.26 123.28 1rii h ALA 39 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1rii h ALA 39 Cb -0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1rii h ALA 39 CO -0.05 0.42 0.49 0.28 0.00 0.00 0.00 179.25 180.39 1rii h VAL 40 N 0.86 0.99 0.00 0.00 2.07 -1.29 -1.45 116.25 117.42 1rii h VAL 40 Ca 0.21 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1rii h VAL 40 Cb 0.20 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1rii h VAL 40 CO -0.02 0.16 -0.54 -0.09 0.02 0.00 0.00 177.57 177.10 1rii h ARG 41 N 0.87 0.00 -0.66 1.57 9.65 -0.83 -2.17 114.38 122.81 1rii h ARG 41 Ca 0.37 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.33 1rii h ARG 41 Cb 0.24 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 1rii h ARG 41 CO -0.20 0.54 0.32 0.77 2.80 0.00 0.00 179.97 184.21 1rii h SER 42 N 0.00 0.42 -0.70 -3.80 0.02 0.10 -0.18 113.55 109.41 1rii h SER 42 Ca -0.01 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1rii h SER 42 Cb 0.99 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 1rii h SER 42 CO 0.07 0.26 0.16 1.23 -1.14 0.00 0.00 176.83 177.41 1rii h GLY 43 N 0.57 1.22 0.97 -3.77 0.00 -0.87 -1.52 103.07 99.67 1rii h GLY 43 Ca 0.32 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1rii h GLY 43 CO -0.24 0.72 0.12 0.83 0.00 0.00 0.00 176.54 177.96 1rii h GLU 44 N 1.06 0.26 -0.64 4.80 5.08 -0.82 -1.99 114.58 122.33 1rii h GLU 44 Ca 0.22 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1rii h GLU 44 Cb 0.39 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1rii h GLU 44 CO 0.00 0.21 0.30 -0.07 -1.00 0.00 0.00 179.01 178.46 1rii h LEU 45 N 0.23 0.39 -0.35 1.33 3.38 -0.76 0.39 115.31 119.92 1rii h LEU 45 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rii h LEU 45 Cb 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1rii h LEU 45 CO -0.01 0.24 0.21 0.40 0.09 0.00 0.00 178.44 179.36 1rii h ILE 46 N 0.54 1.12 -0.44 1.22 2.04 -1.09 -1.90 117.51 119.00 1rii h ILE 46 Ca 0.31 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1rii h ILE 46 Cb 0.30 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1rii h ILE 46 CO -0.25 0.12 -0.01 0.00 0.00 0.00 0.00 178.15 178.02 1rii h ALA 47 N 1.08 0.59 0.00 1.87 0.00 -0.92 -1.92 119.26 119.96 1rii h ALA 47 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rii h ALA 47 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rii h ALA 47 CO -0.02 0.39 -0.00 0.93 0.00 0.00 0.00 179.25 180.55 1rii h GLU 48 N 0.62 0.00 -0.29 0.00 5.08 0.01 -2.15 114.58 117.85 1rii h GLU 48 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1rii h GLU 48 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1rii h GLU 48 CO 0.02 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 1rii n HIS 49 N -3.39 0.74 -3.56 4.33 8.25 -0.74 -4.97 115.22 115.88 1rii n HIS 49 Ca -0.03 -0.72 -0.23 0.00 -0.26 0.00 0.00 57.72 56.48 1rii n HIS 49 Cb 0.08 -0.20 0.08 0.00 1.12 0.00 0.00 29.99 31.07 1rii n HIS 49 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1rii n ASP 50 N -0.10 -5.95 -2.65 0.41 2.03 -0.81 -4.93 116.55 104.55 1rii n ASP 50 Ca 0.17 -0.53 -0.29 0.00 0.52 0.00 0.00 54.79 54.66 1rii n ASP 50 Cb 0.70 -4.93 -0.00 0.00 -0.72 0.00 0.00 41.12 36.17 1rii n ASP 50 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rii n LEU 51 N -4.83 5.12 -4.64 -2.67 4.77 -0.76 -5.04 117.00 108.95 1rii n LEU 51 Ca -0.01 -5.26 -0.43 0.00 -0.03 0.00 0.00 56.01 50.28 1rii n LEU 51 Cb 0.57 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1rii n LEU 51 CO 0.63 2.19 1.41 -0.76 -1.33 0.00 0.00 177.39 179.54 1rii s LEU 52 N -3.62 4.10 0.66 2.23 1.43 -1.26 -4.82 118.68 117.39 1rii s LEU 52 Ca 0.48 1.99 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 1rii s LEU 52 Cb 0.38 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 1rii s LEU 52 CO -0.21 -1.13 1.15 -2.84 0.23 0.00 0.00 176.35 173.55 1rii s PRO 53 N 4.47 2.70 -0.05 1.29 0.02 -1.26 -4.72 135.00 137.43 1rii s PRO 53 Ca 0.75 1.58 0.20 0.00 0.02 0.00 0.00 61.00 63.55 1rii s PRO 53 Cb -0.30 -1.92 -0.30 0.00 0.02 0.00 0.00 34.50 31.99 1rii s PRO 53 CO 0.30 -1.36 0.39 -0.25 -0.33 0.00 0.00 177.00 175.75 1rii n ASP 54 N -2.26 0.35 -3.63 2.53 8.00 0.07 -4.96 116.55 116.64 1rii n ASP 54 Ca 0.12 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.46 1rii n ASP 54 Cb 0.51 1.78 -0.07 0.00 -0.02 0.00 0.00 41.12 43.32 1rii n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rii s VAL 55 N -3.27 0.03 -0.07 2.53 0.11 -1.20 -4.24 120.40 114.29 1rii s VAL 55 Ca -0.08 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1rii s VAL 55 Cb 0.12 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1rii s VAL 55 CO 0.84 -0.13 -0.24 -0.22 -3.33 0.00 0.00 175.10 172.01 1rii s LEU 56 N -1.33 2.07 -0.10 2.54 2.96 -0.23 -2.03 118.68 122.55 1rii s LEU 56 Ca -0.12 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1rii s LEU 56 Cb -0.02 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1rii s LEU 56 CO 0.06 0.21 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.79 1rii s TYR 57 N 0.00 2.62 0.30 5.38 2.02 -0.17 -1.19 117.35 126.31 1rii s TYR 57 Ca -0.08 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.76 1rii s TYR 57 Cb -0.15 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 1rii s TYR 57 CO 0.05 -0.32 0.08 0.95 -1.57 0.00 0.00 175.55 174.74 1rii s THR 58 N 0.26 0.82 0.22 -0.71 -4.23 -0.75 -1.32 115.64 109.92 1rii s THR 58 Ca -0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.33 1rii s THR 58 Cb -0.17 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.04 1rii s THR 58 CO 0.07 0.00 0.28 -1.54 -0.54 0.00 0.00 174.62 172.89 1rii n SER 59 N -0.62 -0.16 -0.97 3.99 3.41 -1.24 -1.32 113.62 116.71 1rii n SER 59 Ca -0.01 -1.04 0.10 0.00 -0.26 0.00 0.00 58.87 57.66 1rii n SER 59 Cb 0.66 -0.22 0.26 0.00 -0.26 0.00 0.00 64.21 64.65 1rii n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rii n LEU 60 N 0.00 2.84 -4.69 1.04 4.77 -1.24 -4.37 117.00 115.34 1rii n LEU 60 Ca 0.04 -1.34 -0.37 0.00 -0.03 0.00 0.00 56.01 54.31 1rii n LEU 60 Cb 0.13 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1rii n LEU 60 CO 0.09 0.67 0.03 -0.76 -1.33 0.00 0.00 177.39 176.09 1rii s LEU 61 N -1.22 4.19 0.44 2.23 1.43 -1.26 -4.98 118.68 119.51 1rii s LEU 61 Ca 0.37 0.48 0.12 0.00 -1.03 0.00 0.00 54.13 54.07 1rii s LEU 61 Cb 0.20 -2.42 1.02 0.00 0.03 0.00 0.00 46.19 45.02 1rii s LEU 61 CO 0.27 0.01 2.03 0.08 0.23 0.00 0.00 176.35 178.97 1rii h ARG 62 N 7.11 0.37 0.00 1.70 0.11 -1.86 -0.20 114.38 121.61 1rii h ARG 62 Ca -0.38 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.63 1rii h ARG 62 Cb 1.16 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 1rii h ARG 62 CO 0.73 0.25 -0.20 0.07 0.10 0.00 0.00 179.97 180.92 1rii h ARG 63 N 0.39 0.00 0.21 0.08 0.11 -1.90 0.10 114.38 113.37 1rii h ARG 63 Ca 0.20 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.98 1rii h ARG 63 Cb 0.29 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.40 1rii h ARG 63 CO -0.05 0.20 -1.35 0.00 0.10 0.00 0.00 179.97 178.87 1rii h ALA 64 N 1.80 -0.08 -0.57 0.08 0.00 -1.40 -3.09 119.26 116.00 1rii h ALA 64 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 1rii h ALA 64 Cb 0.37 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1rii h ALA 64 CO 0.03 0.67 0.25 0.82 0.00 0.00 0.00 179.25 181.02 1rii h ILE 65 N -0.02 1.21 -0.38 0.00 2.04 -0.93 -0.34 117.51 119.09 1rii h ILE 65 Ca -0.25 -0.63 -0.14 0.00 1.00 0.00 0.00 64.86 64.85 1rii h ILE 65 Cb 2.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1rii h ILE 65 CO 0.22 0.25 -0.31 0.74 0.00 0.00 0.00 178.15 179.05 1rii h THR 66 N 0.77 1.28 -0.56 -0.27 2.02 -0.96 -1.17 112.91 114.02 1rii h THR 66 Ca 0.19 -1.46 0.05 0.00 0.77 0.00 0.00 66.41 65.97 1rii h THR 66 Cb 0.15 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1rii h THR 66 CO -0.02 0.49 0.28 0.74 0.37 0.00 0.00 175.52 177.38 1rii h THR 67 N 0.70 0.94 -0.44 3.16 2.02 -1.40 -0.42 112.91 117.46 1rii h THR 67 Ca 0.08 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1rii h THR 67 Cb 0.85 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1rii h THR 67 CO 0.07 0.10 0.23 0.00 0.37 0.00 0.00 175.52 176.30 1rii h ALA 68 N 1.31 0.57 -0.33 6.16 0.00 -0.74 -0.36 119.26 125.86 1rii h ALA 68 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1rii h ALA 68 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1rii h ALA 68 CO -0.18 0.10 0.07 1.25 0.00 0.00 0.00 179.25 180.49 1rii h HIS 69 N 0.58 0.12 -0.48 0.00 6.17 -0.89 -0.48 115.15 120.17 1rii h HIS 69 Ca 0.15 0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.12 1rii h HIS 69 Cb 0.07 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 1rii h HIS 69 CO -0.02 0.03 -0.23 -0.07 0.71 0.00 0.00 177.93 178.36 1rii h LEU 70 N 0.19 1.02 -0.23 0.26 3.38 -0.86 -0.70 115.31 118.37 1rii h LEU 70 Ca 0.15 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1rii h LEU 70 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1rii h LEU 70 CO -0.20 1.20 0.11 0.00 0.09 0.00 0.00 178.44 179.64 1rii h ALA 71 N 0.86 0.30 -0.35 1.53 0.00 -0.90 -1.54 119.26 119.17 1rii h ALA 71 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1rii h ALA 71 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1rii h ALA 71 CO 0.07 -0.13 -0.09 -0.07 0.00 0.00 0.00 179.25 179.02 1rii h LEU 72 N 0.24 0.57 -0.18 0.00 3.38 -1.01 0.61 115.31 118.92 1rii h LEU 72 Ca 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rii h LEU 72 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1rii h LEU 72 CO -0.01 0.70 0.11 -0.78 0.09 0.00 0.00 178.44 178.55 1rii h ASP 73 N 0.54 0.22 0.34 -0.43 3.58 -0.89 0.31 116.42 120.09 1rii h ASP 73 Ca 0.10 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1rii h ASP 73 Cb 0.49 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1rii h ASP 73 CO 0.03 0.21 -0.34 -1.28 -2.88 0.00 0.00 179.24 174.98 1rii h SER 74 N 0.21 0.00 0.41 2.28 0.87 -0.97 -2.31 113.55 114.04 1rii h SER 74 Ca 0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1rii h SER 74 Cb 0.03 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1rii h SER 74 CO -0.01 0.34 -0.20 0.00 -0.53 0.00 0.00 176.83 176.43 1rii n ALA 75 N -2.48 2.93 -3.45 6.23 0.00 0.18 -4.58 120.51 119.35 1rii n ALA 75 Ca -0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1rii n ALA 75 Cb 0.38 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.65 1rii n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rii n ASP 76 N -1.02 -4.50 -1.56 0.00 2.03 0.89 -4.91 116.55 107.48 1rii n ASP 76 Ca 0.12 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1rii n ASP 76 Cb 0.31 -4.78 0.08 0.00 -0.72 0.00 0.00 41.12 36.01 1rii n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rii n ARG 77 N -4.41 1.21 0.30 -0.67 5.12 -0.04 -4.85 116.66 113.32 1rii n ARG 77 Ca -0.10 -2.91 0.18 0.00 -1.93 0.00 0.00 57.85 53.09 1rii n ARG 77 Cb 0.60 -1.03 0.94 0.00 -1.16 0.00 0.00 32.46 31.81 1rii n ARG 77 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1rii h LEU 78 N 1.44 0.00 0.00 0.55 5.85 -1.90 -2.83 115.31 118.42 1rii h LEU 78 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1rii h LEU 78 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1rii h LEU 78 CO 0.17 0.03 0.00 -2.67 -0.34 0.00 0.00 178.44 175.63 1rii n TRP 79 N -3.31 0.00 -1.53 1.25 4.27 -1.26 -4.89 117.44 111.98 1rii n TRP 79 Ca -0.02 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.28 1rii n TRP 79 Cb 0.17 -0.46 0.06 0.00 -1.36 0.00 0.00 31.31 29.71 1rii n TRP 79 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 1rii s ILE 80 N -2.93 3.89 0.51 -1.67 -4.36 -1.07 -4.97 121.20 110.60 1rii s ILE 80 Ca 0.15 0.61 -0.23 0.00 -0.26 0.00 0.00 60.65 60.93 1rii s ILE 80 Cb 0.18 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 40.51 1rii s ILE 80 CO 0.48 -0.80 1.36 -2.84 0.24 0.00 0.00 174.94 173.37 1rii s PRO 81 N -5.03 3.36 0.01 0.37 0.02 -1.26 -4.85 135.00 127.62 1rii s PRO 81 Ca 0.59 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.87 1rii s PRO 81 Cb -0.14 -2.39 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 1rii s PRO 81 CO 0.55 -1.01 -0.10 0.54 -0.33 0.00 0.00 177.00 176.65 1rii s VAL 82 N -1.30 0.77 0.05 3.83 0.11 -1.26 -1.07 120.40 121.53 1rii s VAL 82 Ca 0.68 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1rii s VAL 82 Cb -0.40 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1rii s VAL 82 CO 0.49 0.10 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.10 1rii s ARG 83 N -0.53 0.83 0.04 1.54 1.81 -0.33 -4.98 118.95 117.33 1rii s ARG 83 Ca 0.02 -0.79 0.06 0.00 -1.72 0.00 0.00 55.73 53.29 1rii s ARG 83 Cb -0.05 -0.81 -0.02 0.00 -0.45 0.00 0.00 34.95 33.62 1rii s ARG 83 CO 0.00 0.19 -0.16 1.03 -0.68 0.00 0.00 175.30 175.69 1rii s ARG 84 N -1.31 1.03 -0.12 3.54 0.52 -1.26 -1.81 118.95 119.53 1rii s ARG 84 Ca -0.01 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.23 1rii s ARG 84 Cb -0.08 -1.07 0.04 0.00 0.52 0.00 0.00 34.95 34.35 1rii s ARG 84 CO 0.01 0.26 0.39 0.45 0.02 0.00 0.00 175.30 176.44 1rii s SER 85 N -1.22 -0.38 0.58 0.23 0.15 -0.43 -4.97 113.70 107.66 1rii s SER 85 Ca 0.03 0.67 0.30 0.00 0.70 0.00 0.00 55.95 57.66 1rii s SER 85 Cb -0.08 0.72 1.79 0.00 -1.71 0.00 0.00 66.02 66.73 1rii s SER 85 CO 0.02 -0.20 2.22 4.11 1.20 0.00 0.00 173.24 180.59 1rii h TRP 86 N 5.17 0.00 0.00 3.44 5.08 -1.91 -1.97 115.95 125.76 1rii h TRP 86 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 1rii h TRP 86 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1rii h TRP 86 CO 0.42 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.61 1rii h ARG 87 N 0.00 0.00 -0.02 0.12 3.08 -1.94 0.90 114.38 116.53 1rii h ARG 87 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rii h ARG 87 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1rii h ARG 87 CO 0.00 0.00 -0.11 1.28 -1.07 0.00 0.00 179.97 180.07 1rii n LEU 88 N -2.58 1.70 -4.69 3.04 4.32 -0.74 -4.25 117.00 113.80 1rii n LEU 88 Ca -0.00 -0.55 -0.35 0.00 -0.02 0.00 0.00 56.01 55.08 1rii n LEU 88 Cb 0.15 -0.03 0.10 0.00 -1.62 0.00 0.00 43.42 42.01 1rii n LEU 88 CO 0.18 0.29 0.77 0.59 -1.22 0.00 0.00 177.39 178.00 1rii n ASN 89 N 0.15 1.29 -4.39 -1.43 4.13 0.31 -4.39 115.26 110.94 1rii n ASN 89 Ca 0.15 0.69 -0.35 0.00 1.68 0.00 0.00 54.58 56.76 1rii n ASN 89 Cb 0.41 -1.50 0.09 0.00 -1.54 0.00 0.00 39.78 37.23 1rii n ASN 89 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rii n GLU 90 N -2.47 0.01 -1.69 3.52 4.07 -1.26 -4.40 120.64 118.42 1rii n GLU 90 Ca 0.14 0.04 -0.43 0.00 -0.06 0.00 0.00 57.16 56.86 1rii n GLU 90 Cb 0.49 -1.74 -0.01 0.00 -0.06 0.00 0.00 31.44 30.12 1rii n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1rii n ARG 91 N -0.77 2.09 -2.21 5.31 0.63 -1.26 -4.69 116.66 115.75 1rii n ARG 91 Ca 0.07 0.74 -0.42 0.00 -0.92 0.00 0.00 57.85 57.32 1rii n ARG 91 Cb 0.52 -2.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.07 1rii n ARG 91 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1rii s HIS 92 N -0.78 2.78 -1.70 -0.14 5.65 -1.26 -4.18 115.29 115.66 1rii s HIS 92 Ca 0.59 0.78 0.16 0.00 0.25 0.00 0.00 55.06 56.84 1rii s HIS 92 Cb -0.59 -3.68 0.53 0.00 -1.18 0.00 0.00 32.58 27.66 1rii s HIS 92 CO 0.58 -2.53 1.43 0.66 -0.65 0.00 0.00 174.74 174.23 1rii n TYR 93 N 5.56 0.92 -2.70 3.88 4.01 -1.26 -1.65 117.16 125.92 1rii n TYR 93 Ca 0.13 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1rii n TYR 93 Cb 0.44 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1rii n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rii n GLY 94 N 1.23 2.75 0.00 2.72 0.00 -1.25 -1.75 105.19 108.88 1rii n GLY 94 Ca 0.19 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1rii n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rii n ALA 95 N 8.66 1.88 0.40 4.61 0.00 0.36 -1.57 120.51 134.86 1rii n ALA 95 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1rii n ALA 95 Cb 0.00 -1.25 0.30 0.00 0.00 0.00 0.00 19.45 18.50 1rii n ALA 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rii h LEU 96 N 0.00 0.00 -9.43 0.00 4.07 -1.60 -3.45 115.31 104.90 1rii h LEU 96 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1rii h LEU 96 Cb 0.12 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.89 1rii h LEU 96 CO 0.00 0.00 1.18 0.00 -1.08 0.00 0.00 178.44 178.54 1rii n GLN 97 N -2.72 2.85 0.00 1.13 6.02 -0.61 -1.17 117.38 122.88 1rii n GLN 97 Ca 0.04 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.07 1rii n GLN 97 Cb 0.47 -2.97 0.00 0.00 1.02 0.00 0.00 30.24 28.76 1rii n GLN 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rii n GLY 98 N 4.42 0.79 3.82 1.08 0.00 -0.23 -4.84 105.19 110.24 1rii n GLY 98 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1rii n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rii s LEU 99 N 0.00 4.12 0.15 0.99 1.02 -0.31 -4.83 118.68 119.82 1rii s LEU 99 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 54.13 55.36 1rii s LEU 99 Cb 0.00 -4.11 -0.07 0.00 0.02 0.00 0.00 46.19 42.02 1rii s LEU 99 CO 0.00 -0.19 1.16 -0.62 0.02 0.00 0.00 176.35 176.73 1rii s ASP 100 N -2.03 7.15 -0.00 2.29 -1.08 -1.26 -1.56 116.67 120.16 1rii s ASP 100 Ca 0.54 2.13 -0.25 0.00 -0.52 0.00 0.00 52.55 54.45 1rii s ASP 100 Cb -0.12 -2.60 -0.19 0.00 -1.46 0.00 0.00 42.92 38.55 1rii s ASP 100 CO 0.18 -0.34 1.33 0.11 0.52 0.00 0.00 175.17 176.97 1rii h LYS 101 N 5.54 0.03 -0.20 4.34 1.57 -1.57 -0.45 116.57 125.82 1rii h LYS 101 Ca -0.44 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1rii h LYS 101 Cb 1.21 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1rii h LYS 101 CO 0.75 0.45 -0.19 0.00 -0.57 0.00 0.00 179.45 179.89 1rii h ALA 102 N 0.58 -0.07 -0.71 3.86 0.00 -1.93 0.64 119.26 121.62 1rii h ALA 102 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rii h ALA 102 Cb 0.44 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1rii h ALA 102 CO 0.00 -0.62 0.47 0.93 0.00 0.00 0.00 179.25 180.03 1rii h GLU 103 N -0.21 0.86 -0.14 0.00 5.08 -1.93 -1.42 114.58 116.82 1rii h GLU 103 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1rii h GLU 103 Cb 0.39 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1rii h GLU 103 CO -0.32 0.57 -0.07 1.15 -1.00 0.00 0.00 179.01 179.33 1rii h THR 104 N 0.88 1.31 -0.64 1.13 2.02 -0.34 -1.19 112.91 116.08 1rii h THR 104 Ca 0.28 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1rii h THR 104 Cb 0.03 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 1rii h THR 104 CO -0.08 0.32 0.30 0.50 0.37 0.00 0.00 175.52 176.94 1rii h LYS 105 N -0.04 0.52 0.39 6.66 3.64 -0.60 -0.42 116.57 126.72 1rii h LYS 105 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1rii h LYS 105 Cb 0.53 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1rii h LYS 105 CO 0.02 0.35 -0.19 0.00 -2.27 0.00 0.00 179.45 177.36 1rii h ALA 106 N 1.39 -0.53 -0.96 5.00 0.00 -1.21 1.45 119.26 124.41 1rii h ALA 106 Ca 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rii h ALA 106 Cb 0.31 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1rii h ALA 106 CO -0.25 -0.72 0.64 -0.09 0.00 0.00 0.00 179.25 178.83 1rii h ARG 107 N -0.69 1.23 0.00 0.00 2.43 -0.90 -3.22 114.38 113.23 1rii h ARG 107 Ca -0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1rii h ARG 107 Cb 0.49 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1rii h ARG 107 CO 0.09 0.81 -0.81 0.66 -1.51 0.00 0.00 179.97 179.21 1rii n TYR 108 N -4.41 0.00 0.00 2.20 4.01 -0.19 -5.10 117.16 113.67 1rii n TYR 108 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1rii n TYR 108 Cb 0.06 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1rii n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rii n GLY 109 N 1.48 0.22 0.29 2.72 0.00 0.50 -4.27 105.19 106.12 1rii n GLY 109 Ca 0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1rii n GLY 109 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rii h GLU 110 N 0.00 1.01 0.03 1.61 4.57 -1.93 -1.37 114.58 118.49 1rii h GLU 110 Ca 0.00 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1rii h GLU 110 Cb 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1rii h GLU 110 CO 0.00 1.05 -0.01 1.49 -1.18 0.00 0.00 179.01 180.35 1rii h GLU 111 N 0.89 -0.03 -0.35 1.92 4.81 -1.94 0.19 114.58 120.06 1rii h GLU 111 Ca 0.14 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1rii h GLU 111 Cb 0.64 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1rii h GLU 111 CO 0.04 0.08 -0.43 0.37 -0.73 0.00 0.00 179.01 178.35 1rii h GLN 112 N -0.15 0.89 -0.03 1.92 5.75 -1.74 -2.45 115.11 119.31 1rii h GLN 112 Ca -0.00 -0.50 0.04 0.00 -0.15 0.00 0.00 58.65 58.04 1rii h GLN 112 Cb 0.13 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 1rii h GLN 112 CO 0.01 1.14 -0.32 0.35 -2.65 0.00 0.00 178.83 177.36 1rii h PHE 113 N 0.72 -0.87 -0.47 3.99 3.57 -1.13 0.10 116.94 122.85 1rii h PHE 113 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1rii h PHE 113 Cb 1.02 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 1rii h PHE 113 CO 0.06 -0.40 0.04 0.52 -2.23 0.00 0.00 178.31 176.30 1rii h MET 114 N -0.45 0.75 0.20 1.11 2.86 -0.64 -0.15 114.93 118.62 1rii h MET 114 Ca 0.07 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1rii h MET 114 Cb 0.55 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1rii h MET 114 CO -0.28 0.74 -0.10 0.00 1.06 0.00 0.00 176.91 178.33 1rii h ALA 115 N 1.33 -0.27 -0.50 6.32 0.00 -1.24 0.61 119.26 125.51 1rii h ALA 115 Ca 0.15 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1rii h ALA 115 Cb 0.38 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1rii h ALA 115 CO 0.01 -0.55 0.12 -1.49 0.00 0.00 0.00 179.25 177.35 1rii h TRP 116 N -0.49 0.20 -0.01 0.00 6.55 -0.62 1.49 115.95 123.07 1rii h TRP 116 Ca -0.03 0.03 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 1rii h TRP 116 Cb 0.37 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.64 1rii h TRP 116 CO -0.00 0.02 -0.68 0.00 -1.05 0.00 0.00 178.44 176.72 1rii h ARG 117 N 0.26 0.03 0.00 0.49 3.08 -0.96 -3.39 114.38 113.89 1rii h ARG 117 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1rii h ARG 117 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1rii h ARG 117 CO -0.30 0.70 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 1rii n ARG 118 N -3.74 0.48 -2.15 0.04 5.12 0.21 -5.03 116.66 111.58 1rii n ARG 118 Ca -0.01 -0.60 -0.41 0.00 -1.93 0.00 0.00 57.85 54.90 1rii n ARG 118 Cb 0.67 -0.73 -0.03 0.00 -1.16 0.00 0.00 32.46 31.22 1rii n ARG 118 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1rii s SER 119 N -0.23 6.82 0.07 0.55 0.15 0.50 -4.92 113.70 116.64 1rii s SER 119 Ca 0.00 2.48 -0.15 0.00 0.70 0.00 0.00 55.95 58.98 1rii s SER 119 Cb 0.00 -2.61 -0.23 0.00 -1.71 0.00 0.00 66.02 61.47 1rii s SER 119 CO 0.00 -0.58 1.19 0.22 1.20 0.00 0.00 173.24 175.26 1rii h TYR 120 N 5.29 0.98 0.00 3.44 3.20 -1.91 -3.37 116.97 124.60 1rii h TYR 120 Ca -0.45 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 60.89 1rii h TYR 120 Cb 1.22 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1rii h TYR 120 CO 0.61 1.36 -0.67 -0.25 -1.64 0.00 0.00 178.16 177.57 1rii n ASP 121 N -3.92 0.68 -4.12 -2.11 8.00 -1.26 -0.56 116.55 113.25 1rii n ASP 121 Ca -0.11 -0.81 -0.34 0.00 0.71 0.00 0.00 54.79 54.25 1rii n ASP 121 Cb 0.84 1.01 -0.14 0.00 -0.02 0.00 0.00 41.12 42.81 1rii n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rii s THR 122 N -2.32 2.71 0.68 -3.53 2.01 -1.26 -4.94 115.64 108.99 1rii s THR 122 Ca 0.05 -1.60 -0.11 0.00 0.31 0.00 0.00 61.69 60.34 1rii s THR 122 Cb 0.10 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1rii s THR 122 CO 0.57 -0.18 1.06 -2.16 -0.69 0.00 0.00 174.62 173.22 1rii s PRO 123 N 1.17 3.12 1.12 4.92 0.04 -1.26 -4.70 135.00 139.41 1rii s PRO 123 Ca -0.04 0.71 -0.14 0.00 0.04 0.00 0.00 61.00 61.57 1rii s PRO 123 Cb -0.20 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.56 1rii s PRO 123 CO -0.03 -0.90 1.06 -2.14 0.04 0.00 0.00 177.00 175.02 1rii s PRO 124 N -5.20 -0.59 0.74 0.56 0.02 -1.26 -4.97 135.00 124.31 1rii s PRO 124 Ca 0.57 0.51 -0.15 0.00 0.02 0.00 0.00 61.00 61.95 1rii s PRO 124 Cb -0.12 -1.62 0.05 0.00 0.02 0.00 0.00 34.50 32.83 1rii s PRO 124 CO 0.54 -3.41 1.22 -2.14 -0.33 0.00 0.00 177.00 172.87 1rii s PRO 125 N -4.83 2.05 0.34 5.54 0.02 -1.26 -4.80 135.00 132.06 1rii s PRO 125 Ca 0.67 1.79 -0.28 0.00 0.02 0.00 0.00 61.00 63.21 1rii s PRO 125 Cb -0.20 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 1rii s PRO 125 CO 0.60 -1.91 1.23 -1.25 -0.33 0.00 0.00 177.00 175.34 1rii s PRO 126 N -3.91 4.31 0.61 5.54 0.04 -1.26 -0.48 135.00 139.84 1rii s PRO 126 Ca 0.75 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.66 1rii s PRO 126 Cb -0.30 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1rii s PRO 126 CO 0.46 -0.16 1.09 -1.50 0.04 0.00 0.00 177.00 176.93 1rii s ILE 127 N -1.22 3.42 -0.02 0.56 2.07 -0.05 -4.15 121.20 121.82 1rii s ILE 127 Ca 0.51 0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 60.17 1rii s ILE 127 Cb -0.36 -3.24 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 1rii s ILE 127 CO 0.47 -0.35 1.12 -0.70 -1.91 0.00 0.00 174.94 173.57 1rii s GLU 128 N -3.87 4.43 0.38 3.50 2.12 -1.26 -4.90 118.70 119.10 1rii s GLU 128 Ca 0.67 1.61 -0.27 0.00 0.36 0.00 0.00 54.97 57.34 1rii s GLU 128 Cb -0.20 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.61 1rii s GLU 128 CO 0.36 -0.29 1.25 0.54 -0.54 0.00 0.00 175.26 176.58 1rii n ARG 129 N 4.53 1.96 -1.27 4.30 1.74 -1.26 -2.11 116.66 124.55 1rii n ARG 129 Ca 0.09 0.69 -0.09 0.00 -0.77 0.00 0.00 57.85 57.77 1rii n ARG 129 Cb 0.48 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.56 1rii n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rii n GLY 130 N 0.83 0.96 3.84 -0.13 0.00 -1.26 -5.00 105.19 104.42 1rii n GLY 130 Ca 0.06 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1rii n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rii s SER 131 N -2.42 5.38 0.38 1.61 1.04 -0.90 -4.94 113.70 113.86 1rii s SER 131 Ca 0.00 1.44 0.19 0.00 0.48 0.00 0.00 55.95 58.06 1rii s SER 131 Cb 0.00 -2.32 1.16 0.00 0.10 0.00 0.00 66.02 64.96 1rii s SER 131 CO 0.00 -1.42 1.70 -0.61 0.98 0.00 0.00 173.24 173.89 1rii h GLN 132 N -0.70 0.31 -0.18 4.02 4.15 -1.95 -0.35 115.11 120.41 1rii h GLN 132 Ca -0.45 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 1rii h GLN 132 Cb 1.22 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1rii h GLN 132 CO 0.59 0.20 -0.05 1.19 -1.93 0.00 0.00 178.83 178.84 1rii n PHE 133 N -4.80 0.61 -3.66 3.99 3.72 -1.26 -4.99 117.46 111.08 1rii n PHE 133 Ca 0.30 -1.08 -0.30 0.00 -0.05 0.00 0.00 57.45 56.32 1rii n PHE 133 Cb 1.03 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 39.24 1rii n PHE 133 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rii s SER 134 N -2.42 6.45 0.00 4.37 0.15 -0.15 -4.77 113.70 117.33 1rii s SER 134 Ca 0.39 0.53 0.14 0.00 0.70 0.00 0.00 55.95 57.71 1rii s SER 134 Cb 0.34 -2.07 0.36 0.00 -1.71 0.00 0.00 66.02 62.94 1rii s SER 134 CO 0.04 0.01 1.28 0.00 1.20 0.00 0.00 173.24 175.77 1rii n GLN 135 N -0.22 2.57 0.24 5.44 3.00 -1.26 -4.67 117.38 122.47 1rii n GLN 135 Ca -0.03 -2.10 0.16 0.00 -0.01 0.00 0.00 57.00 55.02 1rii n GLN 135 Cb 0.52 -1.34 0.65 0.00 0.00 0.00 0.00 30.24 30.08 1rii n GLN 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1rii h ASP 136 N 2.68 0.00 -0.10 1.08 2.03 -1.93 -0.90 116.42 119.27 1rii h ASP 136 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rii h ASP 136 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1rii h ASP 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1rii n ALA 137 N -1.99 2.48 -2.44 4.15 0.00 -1.26 -4.34 120.51 117.11 1rii n ALA 137 Ca 0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1rii n ALA 137 Cb 0.27 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1rii n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rii s ASP 138 N -1.88 7.08 0.65 0.00 -1.08 -0.34 -4.90 116.67 116.20 1rii s ASP 138 Ca 0.32 1.94 0.40 0.00 -0.52 0.00 0.00 52.55 54.70 1rii s ASP 138 Cb 0.21 -2.57 2.25 0.00 -1.46 0.00 0.00 42.92 41.34 1rii s ASP 138 CO 0.31 -0.50 2.32 1.55 0.52 0.00 0.00 175.17 179.36 1rii h PRO 139 N 7.03 0.00 0.00 4.34 0.13 -1.92 -1.17 132.00 140.41 1rii h PRO 139 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1rii h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rii h PRO 139 CO 0.83 0.00 0.00 0.07 -0.23 0.00 0.00 178.00 178.67 1rii h ARG 140 N 0.00 0.00 -0.37 0.86 0.11 -1.94 -2.49 114.38 110.55 1rii h ARG 140 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rii h ARG 140 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1rii h ARG 140 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1rii n TYR 141 N -2.53 0.79 0.01 4.08 4.01 -0.44 -4.65 117.16 118.42 1rii n TYR 141 Ca 0.01 -0.64 -0.01 0.00 -0.16 0.00 0.00 57.90 57.09 1rii n TYR 141 Cb 0.21 -0.16 0.26 0.00 -0.31 0.00 0.00 39.34 39.34 1rii n TYR 141 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rii h ALA 142 N 2.29 1.27 0.00 -0.72 0.00 -1.49 0.28 119.26 120.89 1rii h ALA 142 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rii h ALA 142 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1rii h ALA 142 CO 0.11 0.48 0.00 -0.44 0.00 0.00 0.00 179.25 179.40 1rii h ASP 143 N 0.47 0.00 -0.44 0.00 3.32 -1.82 -1.06 116.42 116.88 1rii h ASP 143 Ca 0.09 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 1rii h ASP 143 Cb 0.46 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 1rii h ASP 143 CO 0.03 0.00 0.07 2.30 -1.72 0.00 0.00 179.24 179.92 1rii n ILE 144 N -2.49 2.58 -2.11 0.35 -5.35 -0.80 -4.94 119.36 106.60 1rii n ILE 144 Ca 0.02 -2.12 -0.15 0.00 -0.27 0.00 0.00 62.75 60.22 1rii n ILE 144 Cb 0.26 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 1rii n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rii n GLY 145 N -0.68 0.13 1.43 3.28 0.00 -0.40 -2.18 105.19 106.77 1rii n GLY 145 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1rii n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 146 N -1.03 1.08 0.00 -0.02 0.00 0.93 -4.96 105.19 101.18 1rii n GLY 146 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1rii n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 147 N -2.00 -0.79 3.83 -0.02 0.00 -0.92 -4.05 105.19 101.23 1rii n GLY 147 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1rii n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rii s PRO 148 N -1.25 2.38 0.00 1.61 0.04 -1.26 -4.98 135.00 131.54 1rii s PRO 148 Ca 0.00 0.60 0.22 0.00 0.04 0.00 0.00 61.00 61.86 1rii s PRO 148 Cb 0.00 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1rii s PRO 148 CO 0.00 -1.41 0.99 1.28 0.04 0.00 0.00 177.00 177.90 1rii n LEU 149 N -3.28 1.02 -3.54 -3.56 4.77 -1.26 -4.96 117.00 106.19 1rii n LEU 149 Ca 0.07 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.52 1rii n LEU 149 Cb 0.56 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1rii n LEU 149 CO 0.57 0.24 0.80 0.28 -1.33 0.00 0.00 177.39 177.95 1rii s THR 150 N -2.95 0.00 -0.01 -5.08 -1.32 -1.26 -0.87 115.64 104.15 1rii s THR 150 Ca 0.09 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.48 1rii s THR 150 Cb 0.16 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.16 1rii s THR 150 CO 0.82 0.00 0.18 -1.61 -2.21 0.00 0.00 174.62 171.80 1rii s GLU 151 N -2.71 0.51 0.39 7.08 2.02 -0.66 -4.90 118.70 120.42 1rii s GLU 151 Ca 0.06 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.81 1rii s GLU 151 Cb -0.01 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 1rii s GLU 151 CO -0.07 -0.13 0.26 0.00 0.02 0.00 0.00 175.26 175.35 1rii h LEU 153 N 1.28 0.49 -1.15 0.00 5.85 -1.70 0.11 115.31 120.20 1rii h LEU 153 Ca -0.43 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1rii h LEU 153 Cb 1.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1rii h LEU 153 CO 0.62 0.31 0.40 0.00 -0.34 0.00 0.00 178.44 179.42 1rii h ALA 154 N 1.67 1.35 -0.60 1.25 0.00 -1.15 0.27 119.26 122.05 1rii h ALA 154 Ca 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1rii h ALA 154 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rii h ALA 154 CO -0.09 0.53 0.02 -0.44 0.00 0.00 0.00 179.25 179.28 1rii h ASP 155 N 0.99 1.02 -0.67 0.00 3.32 -1.06 -2.33 116.42 117.69 1rii h ASP 155 Ca 0.25 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rii h ASP 155 Cb 0.02 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1rii h ASP 155 CO -0.04 1.06 0.44 0.58 -1.72 0.00 0.00 179.24 179.55 1rii h VAL 156 N 0.96 1.15 -0.68 -1.35 2.07 -0.55 -1.61 116.25 116.23 1rii h VAL 156 Ca 0.18 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1rii h VAL 156 Cb 0.53 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1rii h VAL 156 CO 0.03 0.16 0.36 0.58 0.02 0.00 0.00 177.57 178.72 1rii h VAL 157 N 0.88 0.92 -0.19 2.57 2.07 -0.79 0.40 116.25 122.11 1rii h VAL 157 Ca 0.25 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1rii h VAL 157 Cb -0.07 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1rii h VAL 157 CO -0.07 0.12 -0.42 0.00 0.02 0.00 0.00 177.57 177.21 1rii h ALA 158 N 1.38 0.92 0.00 1.67 0.00 -0.92 -2.19 119.26 120.11 1rii h ALA 158 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rii h ALA 158 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rii h ALA 158 CO -0.22 0.64 -1.18 2.89 0.00 0.00 0.00 179.25 181.38 1rii n ARG 159 N -4.01 0.44 0.02 0.00 -4.01 -0.65 -4.28 116.66 104.16 1rii n ARG 159 Ca -0.02 -0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.61 1rii n ARG 159 Cb 0.51 -1.65 -0.14 0.00 -3.04 0.00 0.00 32.46 28.15 1rii n ARG 159 CO 0.00 0.00 0.00 0.35 -3.04 0.00 0.00 177.63 174.94 1rii h PHE 160 N 0.00 0.41 -0.95 2.89 3.57 -0.09 -3.39 116.94 119.38 1rii h PHE 160 Ca 0.00 -0.29 0.12 0.00 3.53 0.00 0.00 57.97 61.33 1rii h PHE 160 Cb 0.85 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 1rii h PHE 160 CO 0.00 1.20 0.61 1.25 -2.23 0.00 0.00 178.31 179.14 1rii h LEU 161 N -0.49 0.84 -1.38 0.59 7.12 -1.58 -1.50 115.31 118.90 1rii h LEU 161 Ca -0.10 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.01 1rii h LEU 161 Cb 1.43 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 1rii h LEU 161 CO 0.11 0.45 0.46 -0.65 -0.13 0.00 0.00 178.44 178.68 1rii h PRO 162 N 0.90 0.75 -0.35 5.25 0.11 -1.77 -1.12 132.00 135.76 1rii h PRO 162 Ca 0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.49 1rii h PRO 162 Cb 0.53 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1rii h PRO 162 CO -0.23 0.49 0.05 -0.92 -0.21 0.00 0.00 178.00 177.18 1rii h TYR 163 N 0.77 0.62 -0.04 0.65 3.20 -1.51 -0.50 116.97 120.16 1rii h TYR 163 Ca 0.30 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1rii h TYR 163 Cb 0.20 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1rii h TYR 163 CO -0.00 0.65 0.02 0.35 -1.64 0.00 0.00 178.16 177.54 1rii h PHE 164 N 0.41 0.05 -0.16 -3.82 3.57 -1.13 -0.74 116.94 115.13 1rii h PHE 164 Ca 0.10 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 1rii h PHE 164 Cb 0.37 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1rii h PHE 164 CO 0.03 0.08 -0.71 1.79 -2.23 0.00 0.00 178.31 177.26 1rii h THR 165 N 0.00 1.30 0.00 4.41 1.35 -1.21 -0.54 112.91 118.23 1rii h THR 165 Ca 0.01 -1.96 -0.02 0.00 -0.55 0.00 0.00 66.41 63.89 1rii h THR 165 Cb 0.05 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1rii h THR 165 CO -0.00 0.62 -0.44 0.44 -0.25 0.00 0.00 175.52 175.88 1rii h ASP 166 N 0.48 0.00 0.00 5.36 5.19 -1.04 -3.39 116.42 123.02 1rii h ASP 166 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1rii h ASP 166 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1rii h ASP 166 CO 0.14 0.10 -0.84 0.52 -3.12 0.00 0.00 179.24 176.04 1rii n VAL 167 N -2.98 0.04 0.11 -1.35 0.31 -0.29 -4.80 118.33 109.36 1rii n VAL 167 Ca 0.02 0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 1rii n VAL 167 Cb 0.58 -1.38 -0.15 0.00 -0.91 0.00 0.00 33.84 31.98 1rii n VAL 167 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1rii h ILE 168 N 0.00 1.19 -0.88 2.52 2.04 -1.26 -3.30 117.51 117.82 1rii h ILE 168 Ca 0.00 -2.71 0.07 0.00 1.00 0.00 0.00 64.86 63.22 1rii h ILE 168 Cb 0.84 2.90 -0.06 0.00 -0.74 0.00 0.00 36.82 39.76 1rii h ILE 168 CO 0.00 0.84 0.57 0.58 0.00 0.00 0.00 178.15 180.14 1rii h VAL 169 N 0.11 1.03 -0.91 1.67 2.07 -1.32 0.12 116.25 119.03 1rii h VAL 169 Ca -0.26 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.04 1rii h VAL 169 Cb 2.10 -0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1rii h VAL 169 CO 0.22 0.17 0.58 1.23 0.02 0.00 0.00 177.57 179.80 1rii h GLY 170 N 0.95 1.32 0.68 2.17 0.00 -1.78 0.49 103.07 106.90 1rii h GLY 170 Ca 0.39 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1rii h GLY 170 CO -0.15 0.17 -0.19 -0.55 0.00 0.00 0.00 176.54 175.81 1rii h ASP 171 N 0.85 0.35 -0.72 0.19 3.32 -1.09 -3.11 116.42 116.20 1rii h ASP 171 Ca 0.44 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.99 1rii h ASP 171 Cb 0.50 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1rii h ASP 171 CO -0.20 0.84 0.42 -0.07 -1.72 0.00 0.00 179.24 178.50 1rii h LEU 172 N -0.13 0.63 -1.83 1.55 -0.00 -1.09 -1.92 115.31 112.52 1rii h LEU 172 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.97 1rii h LEU 172 Cb 0.78 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1rii h LEU 172 CO 0.04 0.41 0.24 -0.09 -0.00 0.00 0.00 178.44 179.04 1rii h ARG 173 N 0.76 0.20 -0.64 1.13 2.43 -0.87 0.23 114.38 117.62 1rii h ARG 173 Ca 0.32 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1rii h ARG 173 Cb 0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1rii h ARG 173 CO -0.18 0.13 0.00 1.33 -1.51 0.00 0.00 179.97 179.75 1rii n VAL 174 N -4.47 1.96 -0.50 0.20 0.24 -1.01 -4.72 118.33 110.02 1rii n VAL 174 Ca 0.04 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1rii n VAL 174 Cb 0.27 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1rii n VAL 174 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rii n GLY 175 N 0.98 0.75 3.77 7.63 0.00 -0.52 -4.93 105.19 112.87 1rii n GLY 175 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1rii n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rii s LYS 176 N -0.50 4.35 -0.12 1.61 1.02 -0.75 -4.16 119.74 121.18 1rii s LYS 176 Ca 0.00 1.63 -0.29 0.00 0.02 0.00 0.00 55.97 57.33 1rii s LYS 176 Cb 0.00 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1rii s LYS 176 CO 0.00 -0.00 0.99 0.99 -0.92 0.00 0.00 175.35 176.40 1rii s THR 177 N -1.46 4.79 -0.17 2.17 2.01 -1.26 -3.77 115.64 117.96 1rii s THR 177 Ca 0.52 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 64.48 1rii s THR 177 Cb -0.26 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1rii s THR 177 CO 0.33 -0.00 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.52 1rii s VAL 178 N 2.11 3.72 -0.22 3.82 1.01 -0.20 -0.75 120.40 129.89 1rii s VAL 178 Ca 0.47 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1rii s VAL 178 Cb -0.18 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1rii s VAL 178 CO 0.16 0.47 0.10 -0.22 0.00 0.00 0.00 175.10 175.61 1rii s LEU 179 N 0.66 3.85 -0.19 3.92 2.96 -0.86 -0.10 118.68 128.92 1rii s LEU 179 Ca -0.02 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1rii s LEU 179 Cb -0.15 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1rii s LEU 179 CO 0.02 0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.41 1rii s ILE 180 N 0.86 2.91 -0.25 6.68 1.01 0.22 -1.00 121.20 131.63 1rii s ILE 180 Ca 0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1rii s ILE 180 Cb -0.13 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1rii s ILE 180 CO 0.03 0.48 -0.05 -0.69 0.00 0.00 0.00 174.94 174.70 1rii s VAL 181 N 1.17 2.98 0.00 2.92 1.01 -0.44 -0.50 120.40 127.55 1rii s VAL 181 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1rii s VAL 181 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1rii s VAL 181 CO -0.04 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.28 1rii n ALA 182 N 4.69 0.00 -2.30 5.51 0.00 -0.64 -3.65 120.51 124.13 1rii n ALA 182 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1rii n ALA 182 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 1rii n ALA 182 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rii s HIS 183 N 0.94 1.24 0.16 0.00 3.76 -1.26 -2.72 115.29 117.40 1rii s HIS 183 Ca 0.00 -0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 53.89 1rii s HIS 183 Cb 0.00 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 1rii s HIS 183 CO 0.00 0.07 1.55 0.78 -0.85 0.00 0.00 174.74 176.29 1rii h GLY 184 N 2.94 -0.74 1.11 -2.22 0.00 -1.94 0.11 103.07 102.33 1rii h GLY 184 Ca -0.37 0.71 -0.13 0.00 0.00 0.00 0.00 47.33 47.54 1rii h GLY 184 CO 0.61 -0.06 -0.21 3.43 0.00 0.00 0.00 176.54 180.30 1rii h ASN 185 N -0.17 1.04 0.55 0.19 2.35 -1.97 -0.07 115.58 117.50 1rii h ASN 185 Ca 0.15 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.37 1rii h ASN 185 Cb 0.51 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1rii h ASN 185 CO -0.79 1.20 -0.62 0.77 -1.65 0.00 0.00 177.43 176.34 1rii h SER 186 N 0.87 0.08 0.42 5.81 4.64 -1.68 -1.29 113.55 122.39 1rii h SER 186 Ca 0.11 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.17 1rii h SER 186 Cb 0.80 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1rii h SER 186 CO 0.07 0.67 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.69 1rii h LEU 187 N 0.05 0.45 -1.01 5.97 3.38 -0.70 -2.56 115.31 120.89 1rii h LEU 187 Ca -0.01 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1rii h LEU 187 Cb 1.10 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1rii h LEU 187 CO 0.08 1.18 0.66 0.03 0.09 0.00 0.00 178.44 180.48 1rii h ARG 188 N 0.19 1.25 -0.91 1.13 3.08 -0.91 0.91 114.38 119.12 1rii h ARG 188 Ca -0.07 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1rii h ARG 188 Cb 1.58 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 1rii h ARG 188 CO 0.16 0.83 0.54 0.00 -1.07 0.00 0.00 179.97 180.43 1rii h ALA 189 N 1.41 1.16 -0.30 0.04 0.00 -1.14 -0.28 119.26 120.15 1rii h ALA 189 Ca 0.40 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1rii h ALA 189 Cb -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1rii h ALA 189 CO -0.12 0.62 -0.52 1.25 0.00 0.00 0.00 179.25 180.48 1rii h LEU 190 N 1.26 0.97 -0.76 0.00 5.85 -0.90 -2.60 115.31 119.13 1rii h LEU 190 Ca 0.33 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1rii h LEU 190 Cb -0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1rii h LEU 190 CO -0.06 1.31 0.05 0.58 -0.34 0.00 0.00 178.44 179.98 1rii h VAL 191 N 0.66 1.26 -0.97 1.05 2.07 -0.67 0.31 116.25 119.95 1rii h VAL 191 Ca 0.02 -1.05 0.12 0.00 0.82 0.00 0.00 66.70 66.60 1rii h VAL 191 Cb 1.13 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 1rii h VAL 191 CO 0.12 0.38 0.62 0.50 0.02 0.00 0.00 177.57 179.21 1rii h LYS 192 N 0.92 0.93 -0.01 1.57 3.64 -0.93 -0.14 116.57 122.55 1rii h LYS 192 Ca 0.18 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1rii h LYS 192 Cb 0.47 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1rii h LYS 192 CO 0.02 0.62 -0.16 1.25 -2.27 0.00 0.00 179.45 178.90 1rii h HIS 193 N 0.96 0.18 -0.61 1.91 2.76 -0.99 -0.98 115.15 118.37 1rii h HIS 193 Ca 0.47 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1rii h HIS 193 Cb 0.48 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1rii h HIS 193 CO -0.00 0.87 0.29 -0.07 -1.30 0.00 0.00 177.93 177.72 1rii h LEU 194 N -0.57 0.81 -2.24 0.26 3.38 0.01 -2.65 115.31 114.32 1rii h LEU 194 Ca -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rii h LEU 194 Cb 0.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1rii h LEU 194 CO 0.03 0.72 0.00 0.47 0.09 0.00 0.00 178.44 179.75 1rii n ASP 195 N -4.50 3.28 -3.91 -0.43 8.00 -0.10 -4.46 116.55 114.42 1rii n ASP 195 Ca 0.04 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.30 1rii n ASP 195 Cb 0.13 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 1rii n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rii n GLN 196 N 1.31 -3.84 -2.57 -1.24 1.13 -0.84 -4.94 117.38 106.38 1rii n GLN 196 Ca 0.20 0.47 -0.33 0.00 -1.94 0.00 0.00 57.00 55.40 1rii n GLN 196 Cb 0.53 -4.81 -0.04 0.00 0.11 0.00 0.00 30.24 26.03 1rii n GLN 196 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1rii s MET 197 N -6.46 3.94 0.73 -1.09 -1.94 -0.43 -5.03 119.30 109.02 1rii s MET 197 Ca 0.12 1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 55.17 1rii s MET 197 Cb -0.06 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.67 1rii s MET 197 CO 0.87 -0.29 1.08 -1.54 -0.01 0.00 0.00 175.02 175.13 1rii s SER 198 N -2.34 5.19 0.20 3.03 1.04 -1.26 -4.86 113.70 114.71 1rii s SER 198 Ca 0.63 1.31 -0.10 0.00 0.48 0.00 0.00 55.95 58.26 1rii s SER 198 Cb -0.12 -2.12 0.19 0.00 0.10 0.00 0.00 66.02 64.06 1rii s SER 198 CO 0.21 -1.52 1.83 0.44 0.98 0.00 0.00 173.24 175.18 1rii h ASP 199 N -0.78 0.65 1.25 7.02 5.19 -1.99 0.13 116.42 127.89 1rii h ASP 199 Ca -0.45 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 55.86 1rii h ASP 199 Cb 1.24 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1rii h ASP 199 CO 0.61 0.44 -0.78 -0.78 -3.12 0.00 0.00 179.24 175.61 1rii h ASP 200 N 0.78 0.00 -0.46 6.45 1.82 -2.01 -3.13 116.42 119.87 1rii h ASP 200 Ca 0.27 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.82 1rii h ASP 200 Cb 0.06 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 1rii h ASP 200 CO -0.12 0.42 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.56 1rii h GLU 201 N 0.00 0.90 0.00 0.28 5.08 -1.82 -2.67 114.58 116.34 1rii h GLU 201 Ca -0.05 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1rii h GLU 201 Cb 1.37 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1rii h GLU 201 CO 0.05 0.92 -0.12 0.97 -1.00 0.00 0.00 179.01 179.83 1rii h ILE 202 N 0.82 0.34 0.00 3.13 6.09 -0.74 -2.93 117.51 124.22 1rii h ILE 202 Ca 0.15 -0.78 -0.03 0.00 -1.37 0.00 0.00 64.86 62.84 1rii h ILE 202 Cb 0.55 1.58 -0.00 0.00 0.47 0.00 0.00 36.82 39.42 1rii h ILE 202 CO 0.03 0.12 -0.12 0.58 -3.07 0.00 0.00 178.15 175.69 1rii h VAL 203 N 0.00 0.34 -0.07 2.19 2.07 -1.42 -1.62 116.25 117.73 1rii h VAL 203 Ca -0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1rii h VAL 203 Cb 0.57 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1rii h VAL 203 CO 0.02 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1rii n GLY 204 N -0.07 0.09 3.68 2.17 0.00 -1.11 -4.90 105.19 105.05 1rii n GLY 204 Ca -0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1rii n GLY 204 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rii s LEU 205 N -1.83 4.23 -0.09 0.99 2.96 -0.61 -5.02 118.68 119.31 1rii s LEU 205 Ca 0.36 1.55 -0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1rii s LEU 205 Cb 0.20 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1rii s LEU 205 CO 0.31 -0.50 -0.07 0.20 -1.32 0.00 0.00 176.35 174.97 1rii s ASN 206 N 1.18 4.62 -0.18 3.68 0.01 -1.26 -5.06 114.94 117.94 1rii s ASN 206 Ca 0.49 -0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 52.56 1rii s ASN 206 Cb -0.19 -1.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.14 1rii s ASN 206 CO 0.17 0.31 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.34 1rii s ILE 207 N -0.49 3.03 0.50 0.60 1.01 -1.26 -5.12 121.20 119.47 1rii s ILE 207 Ca 0.07 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 1rii s ILE 207 Cb -0.12 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 1rii s ILE 207 CO 0.02 0.48 1.03 -2.16 0.00 0.00 0.00 174.94 174.31 1rii s PRO 208 N 1.03 3.78 0.40 2.79 0.04 -1.26 -4.98 135.00 136.80 1rii s PRO 208 Ca -0.01 1.27 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1rii s PRO 208 Cb -0.15 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1rii s PRO 208 CO -0.02 -0.43 1.07 0.95 0.04 0.00 0.00 177.00 178.61 1rii s THR 209 N -2.15 3.60 0.00 1.26 -4.23 -1.26 -4.09 115.64 108.77 1rii s THR 209 Ca 0.65 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 62.41 1rii s THR 209 Cb -0.15 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1rii s THR 209 CO 0.23 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1rii n GLY 210 N 0.42 0.15 3.33 3.99 0.00 0.05 -4.95 105.19 108.18 1rii n GLY 210 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1rii n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rii s ILE 211 N -1.36 4.05 0.34 -0.61 -1.09 -1.26 -4.44 121.20 116.83 1rii s ILE 211 Ca 0.00 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.29 1rii s ILE 211 Cb 0.00 -3.19 -0.12 0.00 -1.58 0.00 0.00 42.46 37.57 1rii s ILE 211 CO 0.00 -0.06 1.36 -2.65 -1.23 0.00 0.00 174.94 172.36 1rii n PRO 212 N 4.88 2.27 -3.88 2.79 -0.02 -1.26 -4.73 135.00 135.04 1rii n PRO 212 Ca -0.13 0.80 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1rii n PRO 212 Cb 0.47 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 1rii n PRO 212 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rii s LEU 213 N -1.11 3.37 -0.16 2.45 0.20 0.12 -1.37 118.68 122.17 1rii s LEU 213 Ca 0.56 -0.74 -0.13 0.00 0.69 0.00 0.00 54.13 54.51 1rii s LEU 213 Cb -0.55 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.41 1rii s LEU 213 CO 0.61 -0.13 0.28 -0.60 -0.29 0.00 0.00 176.35 176.21 1rii s ARG 214 N 1.41 4.22 -0.10 1.98 3.52 0.12 -0.82 118.95 129.27 1rii s ARG 214 Ca 0.02 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1rii s ARG 214 Cb -0.16 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1rii s ARG 214 CO -0.02 0.27 -0.16 0.71 -0.81 0.00 0.00 175.30 175.29 1rii s TYR 215 N 0.38 2.72 -0.29 5.12 1.51 0.14 -0.63 117.35 126.29 1rii s TYR 215 Ca 0.16 -0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 55.53 1rii s TYR 215 Cb -0.13 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1rii s TYR 215 CO 0.03 -0.18 0.05 -0.51 -1.11 0.00 0.00 175.55 173.84 1rii s ASP 216 N 0.11 4.98 0.20 2.29 1.01 -1.26 -1.62 116.67 122.38 1rii s ASP 216 Ca -0.08 -0.79 0.06 0.00 0.71 0.00 0.00 52.55 52.46 1rii s ASP 216 Cb -0.15 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1rii s ASP 216 CO 0.05 -0.19 0.14 -0.76 0.21 0.00 0.00 175.17 174.62 1rii s LEU 217 N 1.45 3.76 0.00 1.23 1.43 -1.26 0.75 118.68 126.04 1rii s LEU 217 Ca 0.02 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1rii s LEU 217 Cb -0.17 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.80 1rii s LEU 217 CO 0.01 0.03 0.77 -0.90 0.23 0.00 0.00 176.35 176.50 1rii n ASP 218 N -0.63 1.79 -0.42 2.29 5.68 0.13 -4.71 116.55 120.69 1rii n ASP 218 Ca -0.08 -2.33 0.34 0.00 -0.50 0.00 0.00 54.79 52.22 1rii n ASP 218 Cb 0.56 -0.43 0.64 0.00 -1.14 0.00 0.00 41.12 40.74 1rii n ASP 218 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1rii h SER 219 N -0.04 0.25 -0.38 -1.12 4.64 -1.99 0.69 113.55 115.61 1rii h SER 219 Ca -0.26 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1rii h SER 219 Cb 1.14 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rii h SER 219 CO 0.35 -0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1rii n ALA 220 N -2.56 2.44 -1.31 5.18 0.00 -1.26 -4.89 120.51 118.11 1rii n ALA 220 Ca 0.33 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1rii n ALA 220 Cb 1.31 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 1rii n ALA 220 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1rii n MET 221 N 0.60 -1.00 -3.13 0.00 2.81 0.24 -4.99 117.12 111.65 1rii n MET 221 Ca 0.13 0.84 -0.39 0.00 -1.81 0.00 0.00 57.70 56.46 1rii n MET 221 Cb 0.32 -4.88 -0.05 0.00 -0.71 0.00 0.00 33.22 27.90 1rii n MET 221 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1rii s ARG 222 N -2.75 4.40 0.30 0.03 3.52 -1.25 -4.72 118.95 118.47 1rii s ARG 222 Ca 0.00 0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 56.07 1rii s ARG 222 Cb 0.00 -3.42 -0.13 0.00 -1.56 0.00 0.00 34.95 29.84 1rii s ARG 222 CO 0.00 0.15 1.39 -2.30 -0.81 0.00 0.00 175.30 173.74 1rii n PRO 223 N 3.50 2.21 0.05 5.12 -0.02 -1.26 0.22 135.00 144.83 1rii n PRO 223 Ca -0.04 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1rii n PRO 223 Cb 0.51 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 1rii n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1rii h LEU 224 N 3.52 0.77 -8.09 2.45 3.38 0.02 -3.42 115.31 113.94 1rii h LEU 224 Ca -0.46 -0.62 -0.68 0.00 0.09 0.00 0.00 57.88 56.21 1rii h LEU 224 Cb 1.27 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.46 1rii h LEU 224 CO 0.70 1.42 -0.72 -0.69 0.09 0.00 0.00 178.44 179.24 1rii s VAL 225 N -3.29 2.96 0.17 1.22 1.01 -1.26 -5.09 120.40 116.12 1rii s VAL 225 Ca -0.08 -1.22 -0.34 0.00 0.00 0.00 0.00 61.98 60.34 1rii s VAL 225 Cb 0.08 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.70 1rii s VAL 225 CO 0.90 0.02 1.60 -1.14 0.00 0.00 0.00 175.10 176.48 1rii n ARG 226 N 4.65 2.24 -0.44 2.72 0.63 -1.26 -1.21 116.66 123.98 1rii n ARG 226 Ca -0.15 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1rii n ARG 226 Cb 0.45 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1rii n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rii n GLY 227 N 3.48 1.60 7.00 5.14 0.00 -1.26 -4.91 105.19 116.23 1rii n GLY 227 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1rii n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rii n GLY 228 N -2.00 -1.22 2.80 -0.02 0.00 -0.35 -4.85 105.19 99.55 1rii n GLY 228 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1rii n GLY 228 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rii s THR 229 N 0.00 0.62 0.25 2.61 2.01 0.19 -4.94 115.64 116.38 1rii s THR 229 Ca 0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1rii s THR 229 Cb 0.00 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 1rii s THR 229 CO 0.00 0.17 1.27 -0.31 -0.69 0.00 0.00 174.62 175.06 1rii s TYR 230 N 1.86 3.25 -0.34 4.92 2.02 -1.26 -0.70 117.35 127.09 1rii s TYR 230 Ca 0.03 1.37 0.26 0.00 -0.37 0.00 0.00 57.07 58.36 1rii s TYR 230 Cb -0.14 -3.57 1.07 0.00 -0.40 0.00 0.00 41.96 38.92 1rii s TYR 230 CO -0.07 -1.64 1.78 -0.07 -1.57 0.00 0.00 175.55 173.98 1rii h LEU 231 N 4.47 0.00 -6.50 -1.29 3.38 -1.55 -3.33 115.31 110.49 1rii h LEU 231 Ca -0.46 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1rii h LEU 231 Cb 1.22 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.58 1rii h LEU 231 CO 0.72 0.00 -0.91 -0.62 0.09 0.00 0.00 178.44 177.72 1rii s ASP 232 N -4.64 2.09 0.39 -0.43 -1.08 -1.26 -5.01 116.67 106.72 1rii s ASP 232 Ca 0.04 -2.99 0.06 0.00 -0.52 0.00 0.00 52.55 49.14 1rii s ASP 232 Cb 0.09 -0.58 0.79 0.00 -1.46 0.00 0.00 42.92 41.77 1rii s ASP 232 CO 0.44 -0.19 2.02 -0.65 0.52 0.00 0.00 175.17 177.31 1rii h PRO 233 N 5.87 0.64 -0.07 4.34 0.11 -1.98 1.33 132.00 142.25 1rii h PRO 233 Ca 0.21 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.04 1rii h PRO 233 Cb 0.90 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.88 1rii h PRO 233 CO 0.39 0.43 -0.91 1.49 -0.21 0.00 0.00 178.00 179.19 1rii h GLU 234 N 0.66 0.70 -0.50 1.05 4.81 -1.95 0.21 114.58 119.57 1rii h GLU 234 Ca 0.21 -0.66 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 1rii h GLU 234 Cb 0.04 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1rii h GLU 234 CO -0.05 1.26 -0.04 0.00 -0.73 0.00 0.00 179.01 179.45 1rii h ALA 235 N 0.53 1.00 -0.57 2.92 0.00 -1.70 -2.15 119.26 119.29 1rii h ALA 235 Ca -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1rii h ALA 235 Cb 1.55 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1rii h ALA 235 CO 0.18 0.61 0.34 0.00 0.00 0.00 0.00 179.25 180.37 1rii h ALA 236 N 1.17 0.74 0.00 0.00 0.00 0.19 -2.99 119.26 118.36 1rii h ALA 236 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rii h ALA 236 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rii h ALA 236 CO 0.03 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1rii n ALA 237 N -2.30 1.43 0.29 0.00 0.00 0.74 -3.58 120.51 117.10 1rii n ALA 237 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 1rii n ALA 237 Cb 0.09 -0.95 0.89 0.00 0.00 0.00 0.00 19.45 19.48 1rii n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rii h ALA 238 N 1.66 1.38 0.00 0.00 0.00 -1.55 -3.50 119.26 117.25 1rii h ALA 238 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rii h ALA 238 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rii h ALA 238 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71