#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isa s SER 7 N 0.00 4.58 0.48 0.00 1.04 -1.26 -5.03 113.70 113.50 3isa s SER 7 Ca 0.00 1.45 -0.21 0.00 0.48 0.00 0.00 55.95 57.67 3isa s SER 7 Cb 0.00 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.83 3isa s SER 7 CO 0.00 -1.93 1.05 -0.76 0.98 0.00 0.00 173.24 172.58 3isa s LEU 8 N -5.79 3.87 0.22 2.42 1.43 -1.26 -4.96 118.68 114.61 3isa s LEU 8 Ca 0.60 1.97 0.25 0.00 -1.03 0.00 0.00 54.13 55.92 3isa s LEU 8 Cb -0.15 -4.52 0.90 0.00 0.03 0.00 0.00 46.19 42.46 3isa s LEU 8 CO 0.55 -0.79 1.74 -0.81 0.23 0.00 0.00 176.35 177.27 3isa n PRO 9 N -0.89 0.21 -4.58 1.29 -0.04 -1.26 -4.74 135.00 124.99 3isa n PRO 9 Ca 0.09 0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 63.63 3isa n PRO 9 Cb 0.52 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 32.00 3isa n PRO 9 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3isa s LEU 10 N -4.41 1.82 -0.13 1.53 2.96 -1.26 -0.49 118.68 118.70 3isa s LEU 10 Ca 0.08 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3isa s LEU 10 Cb 0.11 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 3isa s LEU 10 CO 0.49 0.10 -0.05 0.00 -1.32 0.00 0.00 176.35 175.57 3isa s ALA 11 N 0.16 2.98 -0.13 5.97 0.00 -0.25 -4.97 121.76 125.52 3isa s ALA 11 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3isa s ALA 11 Cb -0.10 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3isa s ALA 11 CO 0.01 0.31 -0.18 0.42 0.00 0.00 0.00 175.76 176.32 3isa s ILE 12 N 0.07 2.59 -0.14 0.00 1.01 -1.26 -0.42 121.20 123.04 3isa s ILE 12 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3isa s ILE 12 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3isa s ILE 12 CO 0.03 0.54 -0.10 -0.70 0.00 0.00 0.00 174.94 174.71 3isa s GLU 13 N 0.47 3.48 -0.27 2.79 2.12 -0.14 -4.96 118.70 122.20 3isa s GLU 13 Ca -0.12 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 3isa s GLU 13 Cb -0.16 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.52 3isa s GLU 13 CO 0.05 0.22 -0.02 1.03 -0.54 0.00 0.00 175.26 176.00 3isa s ARG 14 N 0.37 2.84 0.36 4.30 0.52 -1.26 -0.67 118.95 125.40 3isa s ARG 14 Ca -0.08 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 3isa s ARG 14 Cb -0.15 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 3isa s ARG 14 CO 0.05 -0.44 0.33 1.03 0.02 0.00 0.00 175.30 176.28 3isa s ARG 15 N 1.36 2.69 0.18 3.54 0.52 0.41 -5.03 118.95 122.63 3isa s ARG 15 Ca -0.00 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 3isa s ARG 15 Cb -0.17 -2.47 0.12 0.00 0.52 0.00 0.00 34.95 32.95 3isa s ARG 15 CO -0.02 0.01 1.82 -1.35 0.02 0.00 0.00 175.30 175.78 3isa h PRO 16 N 1.17 0.62 -0.00 3.54 0.11 -2.02 -3.23 132.00 132.17 3isa h PRO 16 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3isa h PRO 16 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3isa h PRO 16 CO 0.58 0.41 -0.61 0.00 -0.21 0.00 0.00 178.00 178.17 3isa n ALA 17 N -2.29 3.84 -3.33 -0.75 0.00 -1.26 -4.71 120.51 112.02 3isa n ALA 17 Ca 0.04 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 3isa n ALA 17 Cb 0.09 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 3isa n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isa s ALA 18 N -2.83 -1.07 -0.10 0.00 0.00 -1.22 -1.79 121.76 114.76 3isa s ALA 18 Ca 0.14 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3isa s ALA 18 Cb 0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3isa s ALA 18 CO 0.70 -0.23 -0.17 -1.58 0.00 0.00 0.00 175.76 174.47 3isa s TRP 19 N -0.22 2.68 -0.22 0.00 0.52 -0.38 -0.44 118.94 120.87 3isa s TRP 19 Ca -0.04 -0.63 -0.06 0.00 0.02 0.00 0.00 56.10 55.39 3isa s TRP 19 Cb -0.03 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 3isa s TRP 19 CO 0.02 -0.17 0.02 0.99 0.02 0.00 0.00 176.95 177.83 3isa s THR 20 N 0.04 3.96 -0.39 2.01 2.01 0.15 -0.80 115.64 122.62 3isa s THR 20 Ca -0.07 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 3isa s THR 20 Cb -0.15 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.56 3isa s THR 20 CO 0.05 0.39 0.26 -0.36 -0.69 0.00 0.00 174.62 174.27 3isa s PHE 21 N 1.36 3.24 -0.29 4.92 0.08 0.55 -0.96 117.98 126.88 3isa s PHE 21 Ca 0.05 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 3isa s PHE 21 Cb -0.15 -2.52 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 3isa s PHE 21 CO 0.01 -0.59 0.04 0.99 -0.10 0.00 0.00 175.22 175.57 3isa s THR 22 N 1.64 3.64 0.03 0.64 2.01 0.44 -1.81 115.64 122.23 3isa s THR 22 Ca 0.04 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 3isa s THR 22 Cb -0.19 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 3isa s THR 22 CO 0.09 0.09 1.30 -0.76 -0.69 0.00 0.00 174.62 174.65 3isa s LEU 23 N 1.44 4.34 -0.45 4.42 1.02 -0.09 -1.09 118.68 128.27 3isa s LEU 23 Ca 0.01 2.08 0.09 0.00 0.02 0.00 0.00 54.13 56.33 3isa s LEU 23 Cb -0.17 -3.57 0.29 0.00 0.02 0.00 0.00 46.19 42.76 3isa s LEU 23 CO 0.01 -0.61 0.68 -1.20 0.02 0.00 0.00 176.35 175.24 3isa n SER 24 N 4.61 1.49 -3.63 2.29 7.64 0.35 -0.21 113.62 126.16 3isa n SER 24 Ca 0.11 -3.03 -0.27 0.00 1.01 0.00 0.00 58.87 56.68 3isa n SER 24 Cb 0.45 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.91 3isa n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3isa n ARG 25 N 0.76 1.26 0.23 1.43 1.74 -1.26 -4.48 116.66 116.35 3isa n ARG 25 Ca 0.25 -3.97 0.11 0.00 -0.77 0.00 0.00 57.85 53.47 3isa n ARG 25 Cb 0.53 -2.00 0.48 0.00 -1.02 0.00 0.00 32.46 30.45 3isa n ARG 25 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3isa h PRO 26 N 5.25 0.00 -0.00 5.56 0.13 -1.93 0.85 132.00 141.86 3isa h PRO 26 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3isa h PRO 26 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3isa h PRO 26 CO 0.59 0.18 -0.16 0.39 -0.23 0.00 0.00 178.00 178.77 3isa n GLU 27 N -3.32 0.52 -0.29 0.86 -0.58 -1.26 -4.00 120.64 112.57 3isa n GLU 27 Ca 0.00 -0.20 0.06 0.00 -0.42 0.00 0.00 57.16 56.61 3isa n GLU 27 Cb 0.42 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.89 3isa n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3isa n LYS 28 N -1.06 0.82 -3.92 3.49 4.76 -0.72 -4.99 118.16 116.55 3isa n LYS 28 Ca 0.12 -2.07 -0.31 0.00 -2.87 0.00 0.00 58.31 53.18 3isa n LYS 28 Cb 0.30 -1.12 0.01 0.00 -1.84 0.00 0.00 35.03 32.38 3isa n LYS 28 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3isa n ARG 29 N -0.87 -4.57 -3.16 1.97 1.74 -1.02 -1.23 116.66 109.51 3isa n ARG 29 Ca 0.10 0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 57.49 3isa n ARG 29 Cb 0.68 -5.35 0.01 0.00 -1.02 0.00 0.00 32.46 26.78 3isa n ARG 29 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3isa n ASN 30 N -2.70 -4.82 -4.78 0.55 3.02 0.21 -1.17 115.26 105.57 3isa n ASN 30 Ca 0.05 -0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.94 3isa n ASN 30 Cb 0.52 -3.94 0.01 0.00 -0.61 0.00 0.00 39.78 35.76 3isa n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3isa s ALA 31 N -3.03 2.66 -0.79 5.41 0.00 -0.37 -4.00 121.76 121.65 3isa s ALA 31 Ca 0.34 0.67 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 3isa s ALA 31 Cb -0.17 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.72 3isa s ALA 31 CO 0.41 -0.85 1.08 -0.51 0.00 0.00 0.00 175.76 175.89 3isa s LEU 32 N -4.13 4.48 0.82 0.00 1.43 0.17 -4.72 118.68 116.73 3isa s LEU 32 Ca 0.69 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 3isa s LEU 32 Cb -0.21 -2.43 0.08 0.00 0.03 0.00 0.00 46.19 43.66 3isa s LEU 32 CO 0.31 -1.34 1.10 -0.94 0.23 0.00 0.00 176.35 175.71 3isa s SER 33 N 3.79 4.30 0.24 2.29 1.04 -1.26 -1.68 113.70 122.42 3isa s SER 33 Ca 0.28 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 58.01 3isa s SER 33 Cb -0.11 -2.07 0.35 0.00 0.10 0.00 0.00 66.02 64.29 3isa s SER 33 CO 0.02 -2.10 1.84 0.00 0.98 0.00 0.00 173.24 173.98 3isa h ALA 34 N -1.18 1.18 -0.16 5.32 0.00 -1.95 -2.09 119.26 120.39 3isa h ALA 34 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3isa h ALA 34 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3isa h ALA 34 CO 0.58 0.24 0.10 1.49 0.00 0.00 0.00 179.25 181.67 3isa h GLU 35 N 0.94 0.20 -0.62 0.00 4.81 -1.99 -0.62 114.58 117.29 3isa h GLU 35 Ca 0.38 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3isa h GLU 35 Cb 0.21 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3isa h GLU 35 CO -0.19 0.13 0.39 1.25 -0.73 0.00 0.00 179.01 179.87 3isa h LEU 36 N 0.20 0.73 -0.40 1.64 5.85 -1.86 -0.46 115.31 121.02 3isa h LEU 36 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3isa h LEU 36 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3isa h LEU 36 CO -0.02 0.56 0.22 0.58 -0.34 0.00 0.00 178.44 179.44 3isa h VAL 37 N 0.85 1.15 -0.84 1.05 2.07 -1.14 -0.40 116.25 118.98 3isa h VAL 37 Ca 0.23 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3isa h VAL 37 Cb -0.06 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3isa h VAL 37 CO -0.05 0.15 0.39 -0.33 0.02 0.00 0.00 177.57 177.76 3isa h GLU 38 N 0.51 1.22 -0.58 1.57 4.39 -0.88 -0.07 114.58 120.75 3isa h GLU 38 Ca 0.14 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3isa h GLU 38 Cb 0.05 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3isa h GLU 38 CO -0.02 0.95 0.34 0.00 -1.16 0.00 0.00 179.01 179.12 3isa h ALA 39 N 1.22 0.74 -0.47 3.43 0.00 -0.76 -0.31 119.26 123.12 3isa h ALA 39 Ca 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3isa h ALA 39 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3isa h ALA 39 CO -0.03 0.23 0.17 -0.07 0.00 0.00 0.00 179.25 179.54 3isa h LEU 40 N 0.78 0.66 -0.14 0.00 3.38 -0.76 0.67 115.31 119.90 3isa h LEU 40 Ca 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3isa h LEU 40 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3isa h LEU 40 CO -0.04 0.66 0.08 0.40 0.09 0.00 0.00 178.44 179.64 3isa h ILE 41 N 0.61 1.06 -0.49 1.22 2.04 -0.84 -0.32 117.51 120.79 3isa h ILE 41 Ca 0.15 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3isa h ILE 41 Cb 0.23 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3isa h ILE 41 CO -0.01 0.06 0.26 0.44 0.00 0.00 0.00 178.15 178.89 3isa h ASP 42 N 0.16 0.38 -0.34 1.72 3.32 -0.97 -0.16 116.42 120.53 3isa h ASP 42 Ca 0.05 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3isa h ASP 42 Cb 0.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3isa h ASP 42 CO -0.01 0.26 -0.01 1.23 -1.72 0.00 0.00 179.24 179.00 3isa h GLY 43 N 0.51 0.65 1.18 2.75 0.00 -0.64 -1.67 103.07 105.85 3isa h GLY 43 Ca 0.21 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3isa h GLY 43 CO -0.14 0.45 0.03 -2.08 0.00 0.00 0.00 176.54 174.79 3isa h VAL 44 N 0.41 1.26 -0.47 4.60 2.07 -0.95 -1.36 116.25 121.80 3isa h VAL 44 Ca 0.10 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3isa h VAL 44 Cb 0.46 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3isa h VAL 44 CO 0.02 0.39 0.23 0.44 0.02 0.00 0.00 177.57 178.67 3isa h ASP 45 N 0.92 0.61 0.12 0.57 3.32 -0.90 -0.43 116.42 120.64 3isa h ASP 45 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3isa h ASP 45 Cb 0.50 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3isa h ASP 45 CO 0.02 0.57 -0.06 0.00 -1.72 0.00 0.00 179.24 178.05 3isa h ALA 46 N 1.07 -0.16 -0.87 3.45 0.00 -1.23 -1.70 119.26 119.82 3isa h ALA 46 Ca 0.16 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3isa h ALA 46 Cb 0.12 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3isa h ALA 46 CO -0.02 -0.58 0.46 0.00 0.00 0.00 0.00 179.25 179.11 3isa h ALA 47 N 0.71 1.32 -0.48 0.00 0.00 -1.14 -1.84 119.26 117.83 3isa h ALA 47 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 47 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3isa h ALA 47 CO 0.03 -0.08 0.26 1.25 0.00 0.00 0.00 179.25 180.71 3isa h HIS 48 N 0.65 0.66 -0.92 0.00 6.17 -0.71 -0.92 115.15 120.08 3isa h HIS 48 Ca 0.47 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.54 3isa h HIS 48 Cb 0.67 -0.21 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 3isa h HIS 48 CO -0.08 0.50 0.57 0.00 0.71 0.00 0.00 177.93 179.63 3isa h ARG 49 N 0.64 1.24 0.00 5.26 3.08 -0.69 -2.24 114.38 121.66 3isa h ARG 49 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3isa h ARG 49 Cb 0.05 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.84 3isa h ARG 49 CO -0.03 0.85 0.00 -1.91 -1.07 0.00 0.00 179.97 177.81 3isa n GLU 50 N -4.40 0.05 -3.83 0.04 4.07 -0.75 -4.93 120.64 110.90 3isa n GLU 50 Ca 0.10 0.10 -0.27 0.00 -0.06 0.00 0.00 57.16 57.03 3isa n GLU 50 Cb 0.04 -1.57 0.03 0.00 -0.06 0.00 0.00 31.44 29.89 3isa n GLU 50 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3isa n GLN 51 N -1.66 -5.47 -1.68 5.31 6.02 -0.40 -4.92 117.38 114.58 3isa n GLN 51 Ca 0.06 0.62 -0.47 0.00 -0.01 0.00 0.00 57.00 57.20 3isa n GLN 51 Cb 0.32 -5.41 -0.04 0.00 1.02 0.00 0.00 30.24 26.13 3isa n GLN 51 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3isa n VAL 52 N -4.57 0.53 -0.32 5.09 0.31 -0.91 -4.89 118.33 113.56 3isa n VAL 52 Ca -0.07 -0.09 0.05 0.00 -0.01 0.00 0.00 64.34 64.21 3isa n VAL 52 Cb 0.58 -1.93 0.20 0.00 -0.91 0.00 0.00 33.84 31.78 3isa n VAL 52 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3isa h PRO 53 N 8.99 0.83 -4.19 5.55 0.11 -1.84 -3.41 132.00 138.03 3isa h PRO 53 Ca -0.48 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.12 3isa h PRO 53 Cb 1.26 -0.19 -0.34 0.00 0.11 0.00 0.00 31.00 31.84 3isa h PRO 53 CO 0.94 0.55 -0.79 -1.17 -0.21 0.00 0.00 178.00 177.32 3isa s LEU 54 N -10.26 1.35 -0.18 2.35 2.96 -0.74 -0.71 118.68 113.45 3isa s LEU 54 Ca -0.12 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3isa s LEU 54 Cb 0.21 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 3isa s LEU 54 CO 0.79 -0.05 0.02 -0.76 -1.32 0.00 0.00 176.35 175.04 3isa s LEU 55 N 1.03 3.53 -0.09 -0.68 1.43 0.05 -1.25 118.68 122.69 3isa s LEU 55 Ca -0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3isa s LEU 55 Cb -0.14 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3isa s LEU 55 CO -0.00 0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 175.95 3isa s VAL 56 N 0.54 3.58 -0.09 -1.59 1.01 0.02 -0.65 120.40 123.21 3isa s VAL 56 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3isa s VAL 56 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3isa s VAL 56 CO 0.02 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 3isa s PHE 57 N -0.43 2.23 0.16 5.22 0.08 0.65 -0.33 117.98 125.56 3isa s PHE 57 Ca 0.06 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.11 3isa s PHE 57 Cb -0.12 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3isa s PHE 57 CO 0.02 -0.37 0.35 0.00 -0.10 0.00 0.00 175.22 175.12 3isa s ALA 58 N 0.41 -0.33 -0.06 5.36 0.00 -0.75 -1.63 121.76 124.75 3isa s ALA 58 Ca -0.17 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.20 3isa s ALA 58 Cb -0.17 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 3isa s ALA 58 CO 0.07 -0.68 -0.17 0.20 0.00 0.00 0.00 175.76 175.18 3isa s GLY 59 N -2.92 1.47 0.63 0.00 0.00 -1.26 -0.91 107.32 104.33 3isa s GLY 59 Ca 0.13 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 3isa s GLY 59 CO -0.02 -0.70 1.05 0.00 0.00 0.00 0.00 173.10 173.43 3isa s ALA 60 N -0.50 2.76 0.00 3.20 0.00 0.71 -4.73 121.76 123.19 3isa s ALA 60 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3isa s ALA 60 Cb -0.12 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3isa s ALA 60 CO 0.01 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3isa n GLY 61 N -1.51 0.85 0.01 0.00 0.00 -1.26 -4.18 105.19 99.09 3isa n GLY 61 Ca 0.08 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.51 3isa n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3isa n ARG 62 N 12.36 0.07 -4.00 1.61 1.74 -1.26 -4.97 116.66 122.21 3isa n ARG 62 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3isa n ARG 62 Cb 0.00 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 3isa n ARG 62 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3isa s ASN 63 N -3.25 0.68 -0.01 0.55 4.22 -1.26 -3.40 114.94 112.47 3isa s ASN 63 Ca 0.09 -1.41 -0.02 0.00 -2.14 0.00 0.00 52.86 49.38 3isa s ASN 63 Cb 0.16 0.74 -0.01 0.00 1.28 0.00 0.00 41.25 43.42 3isa s ASN 63 CO 0.76 -1.45 0.30 0.15 -2.04 0.00 0.00 177.10 174.82 3isa h PHE 64 N 2.06 -0.07 -1.76 1.54 3.57 -1.79 -3.36 116.94 117.13 3isa h PHE 64 Ca -0.30 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.22 3isa h PHE 64 Cb 1.24 0.02 -0.24 0.00 2.79 0.00 0.00 35.95 39.77 3isa h PHE 64 CO 1.53 -0.04 0.33 0.45 -2.23 0.00 0.00 178.31 178.35 3isa s SER 65 N -3.21 -0.56 -0.01 0.41 0.15 -1.26 -4.22 113.70 104.99 3isa s SER 65 Ca -0.01 1.02 0.07 0.00 0.70 0.00 0.00 55.95 57.73 3isa s SER 65 Cb 0.00 1.02 0.23 0.00 -1.71 0.00 0.00 66.02 65.55 3isa s SER 65 CO 0.03 -0.23 1.14 0.00 1.20 0.00 0.00 173.24 175.39 3isa n ALA 66 N 2.17 2.53 -0.26 5.45 0.00 -0.32 -1.68 120.51 128.41 3isa n ALA 66 Ca -0.13 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3isa n ALA 66 Cb 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3isa n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isa n GLY 67 N 0.80 -0.31 3.63 0.00 0.00 -0.98 -4.41 105.19 103.92 3isa n GLY 67 Ca 0.08 -1.05 -0.49 0.00 0.00 0.00 0.00 46.02 44.57 3isa n GLY 67 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3isa n PHE 68 N 0.00 1.88 -2.49 1.61 7.35 -1.26 0.41 117.46 124.96 3isa n PHE 68 Ca 0.00 0.46 -0.43 0.00 -0.76 0.00 0.00 57.45 56.73 3isa n PHE 68 Cb 0.00 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.38 3isa n PHE 68 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3isa s ASP 69 N 0.63 6.41 0.00 -2.13 -1.08 -0.67 -4.61 116.67 115.22 3isa s ASP 69 Ca 0.80 0.42 0.30 0.00 -0.52 0.00 0.00 52.55 53.54 3isa s ASP 69 Cb -0.81 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 39.48 3isa s ASP 69 CO 0.43 -1.45 1.93 0.49 0.52 0.00 0.00 175.17 177.09 3isa n PHE 70 N 8.59 0.00 -1.68 -5.34 3.72 -1.26 -4.81 117.46 116.68 3isa n PHE 70 Ca 0.12 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 57.02 3isa n PHE 70 Cb 0.49 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.92 3isa n PHE 70 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3isa n THR 71 N -0.54 0.41 -2.33 4.37 -1.04 -1.26 -1.64 114.28 112.25 3isa n THR 71 Ca 0.19 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 3isa n THR 71 Cb 0.25 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 3isa n THR 71 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3isa n ASP 72 N 5.73 -5.29 0.30 8.00 8.00 -1.26 -4.85 116.55 127.17 3isa n ASP 72 Ca 0.23 0.08 0.17 0.00 0.71 0.00 0.00 54.79 55.98 3isa n ASP 72 Cb 0.25 -4.45 0.97 0.00 -0.02 0.00 0.00 41.12 37.87 3isa n ASP 72 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3isa h TYR 73 N 0.00 0.00 0.00 1.24 -0.00 -1.62 -1.75 116.97 114.84 3isa h TYR 73 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.26 3isa h TYR 73 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.04 3isa h TYR 73 CO 0.59 0.02 -0.19 0.93 -0.00 0.00 0.00 178.16 179.52 3isa h GLU 74 N 0.00 0.00 -0.02 0.10 3.07 -1.89 -2.40 114.58 113.45 3isa h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3isa h GLU 74 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3isa h GLU 74 CO 0.00 0.19 -0.07 0.25 -1.40 0.00 0.00 179.01 177.98 3isa n THR 75 N -3.43 0.00 -3.96 1.13 -2.24 -0.66 -4.88 114.28 100.24 3isa n THR 75 Ca -0.00 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 3isa n THR 75 Cb 0.37 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 3isa n THR 75 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3isa s GLN 76 N -2.11 3.27 0.80 -0.78 -0.21 -0.90 -5.11 119.66 114.62 3isa s GLN 76 Ca 0.32 -0.52 -0.12 0.00 0.02 0.00 0.00 55.36 55.07 3isa s GLN 76 Cb 0.20 -2.94 0.07 0.00 1.00 0.00 0.00 33.01 31.34 3isa s GLN 76 CO 0.37 0.60 1.13 -1.54 -2.12 0.00 0.00 175.29 173.72 3isa s SER 77 N -2.49 4.57 0.25 5.90 1.04 -1.26 -4.89 113.70 116.82 3isa s SER 77 Ca 0.33 1.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.77 3isa s SER 77 Cb -0.13 -1.70 0.38 0.00 0.10 0.00 0.00 66.02 64.68 3isa s SER 77 CO 0.26 -1.89 1.86 -0.33 0.98 0.00 0.00 173.24 174.12 3isa h GLU 78 N -1.04 1.03 -0.58 4.02 4.39 -1.99 -2.20 114.58 118.20 3isa h GLU 78 Ca -0.47 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 3isa h GLU 78 Cb 1.29 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3isa h GLU 78 CO 0.63 0.68 0.13 0.78 -1.16 0.00 0.00 179.01 180.07 3isa h GLY 79 N 1.06 1.01 0.47 -3.84 0.00 -1.95 -1.24 103.07 98.58 3isa h GLY 79 Ca 0.41 -0.64 0.08 0.00 0.00 0.00 0.00 47.33 47.18 3isa h GLY 79 CO -0.18 0.60 0.25 -0.55 0.00 0.00 0.00 176.54 176.66 3isa h ASP 80 N 0.84 0.29 -0.37 0.19 3.32 -1.82 -0.74 116.42 118.14 3isa h ASP 80 Ca 0.18 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3isa h ASP 80 Cb 0.37 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3isa h ASP 80 CO 0.00 0.18 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.32 3isa h LEU 81 N 0.46 0.91 -0.19 1.55 3.38 -1.19 -2.24 115.31 117.98 3isa h LEU 81 Ca 0.29 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3isa h LEU 81 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3isa h LEU 81 CO -0.27 1.17 -0.07 0.25 0.09 0.00 0.00 178.44 179.62 3isa h LEU 82 N 0.67 -0.24 -0.50 1.67 5.85 -1.00 -1.64 115.31 120.11 3isa h LEU 82 Ca 0.07 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3isa h LEU 82 Cb 0.89 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3isa h LEU 82 CO 0.08 -0.09 0.30 0.25 -0.34 0.00 0.00 178.44 178.64 3isa h LEU 83 N -0.03 0.49 -0.97 2.25 5.85 -1.02 0.12 115.31 121.99 3isa h LEU 83 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3isa h LEU 83 Cb 0.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3isa h LEU 83 CO -0.22 0.35 0.51 0.03 -0.34 0.00 0.00 178.44 178.77 3isa h ARG 84 N 0.60 1.23 -0.34 1.25 3.08 -1.25 0.09 114.38 119.05 3isa h ARG 84 Ca 0.20 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3isa h ARG 84 Cb 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3isa h ARG 84 CO -0.09 0.88 -0.01 0.52 -1.07 0.00 0.00 179.97 180.20 3isa h MET 85 N 1.24 0.62 -0.68 0.04 2.86 -0.56 -0.89 114.93 117.56 3isa h MET 85 Ca 0.32 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3isa h MET 85 Cb -0.01 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3isa h MET 85 CO -0.06 0.75 0.41 0.28 1.06 0.00 0.00 176.91 179.35 3isa h VAL 86 N 0.42 1.04 -0.52 -2.22 2.07 -0.44 -1.56 116.25 115.03 3isa h VAL 86 Ca 0.10 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3isa h VAL 86 Cb 0.48 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3isa h VAL 86 CO 0.02 0.14 0.04 0.03 0.02 0.00 0.00 177.57 177.83 3isa h ARG 87 N 0.77 0.85 -0.40 1.57 2.47 -0.81 0.28 114.38 119.13 3isa h ARG 87 Ca 0.29 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3isa h ARG 87 Cb 0.10 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3isa h ARG 87 CO -0.14 0.83 0.24 0.82 0.56 0.00 0.00 179.97 182.28 3isa h ILE 88 N 0.80 1.13 -0.48 2.04 2.04 -0.73 -0.65 117.51 121.66 3isa h ILE 88 Ca 0.16 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3isa h ILE 88 Cb 0.42 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3isa h ILE 88 CO 0.01 0.13 -0.06 -0.08 0.00 0.00 0.00 178.15 178.16 3isa h GLU 89 N 0.53 0.84 -0.74 2.37 4.57 -0.70 0.14 114.58 121.59 3isa h GLU 89 Ca 0.14 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3isa h GLU 89 Cb 0.00 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3isa h GLU 89 CO -0.03 0.88 0.40 0.52 -1.18 0.00 0.00 179.01 179.60 3isa h MET 90 N 0.77 1.03 0.13 1.92 2.86 -0.71 -0.28 114.93 120.65 3isa h MET 90 Ca 0.14 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3isa h MET 90 Cb 0.54 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3isa h MET 90 CO 0.03 0.78 -0.06 1.25 1.06 0.00 0.00 176.91 179.97 3isa h LEU 91 N 1.02 -0.15 -0.67 1.22 5.85 -0.44 -1.84 115.31 120.31 3isa h LEU 91 Ca 0.26 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3isa h LEU 91 Cb 0.05 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3isa h LEU 91 CO -0.04 -0.10 0.31 -0.07 -0.34 0.00 0.00 178.44 178.19 3isa h LEU 92 N -0.17 0.37 -0.92 2.25 3.38 -0.39 -1.54 115.31 118.29 3isa h LEU 92 Ca -0.02 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3isa h LEU 92 Cb 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3isa h LEU 92 CO 0.03 0.21 0.03 1.56 0.09 0.00 0.00 178.44 180.37 3isa h GLN 93 N 0.53 0.83 -0.55 1.13 4.20 -0.94 0.13 115.11 120.43 3isa h GLN 93 Ca 0.33 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3isa h GLN 93 Cb 0.37 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3isa h GLN 93 CO -0.28 0.81 0.25 0.00 -0.67 0.00 0.00 178.83 178.94 3isa h ARG 94 N 0.78 0.81 -0.06 1.46 3.08 -0.73 -0.77 114.38 118.95 3isa h ARG 94 Ca 0.16 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3isa h ARG 94 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3isa h ARG 94 CO 0.01 0.68 -0.15 0.28 -1.07 0.00 0.00 179.97 179.72 3isa h VAL 95 N 0.75 1.43 -0.82 2.04 2.07 -1.03 -2.61 116.25 118.09 3isa h VAL 95 Ca 0.19 -1.51 0.06 0.00 0.82 0.00 0.00 66.70 66.26 3isa h VAL 95 Cb 0.15 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 3isa h VAL 95 CO -0.02 0.42 0.50 0.00 0.02 0.00 0.00 177.57 178.49 3isa h ALA 96 N 0.46 1.11 -0.42 1.67 0.00 -0.70 -2.23 119.26 119.14 3isa h ALA 96 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 96 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3isa h ALA 96 CO 0.03 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.93 3isa n GLY 97 N -1.32 1.53 3.69 0.00 0.00 -0.30 -4.99 105.19 103.80 3isa n GLY 97 Ca 0.11 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 3isa n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3isa n SER 98 N 0.67 3.28 0.26 1.61 2.88 -0.84 -4.91 113.62 116.57 3isa n SER 98 Ca 0.16 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.94 3isa n SER 98 Cb 0.53 -1.48 0.66 0.00 -0.75 0.00 0.00 64.21 63.17 3isa n SER 98 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3isa h PRO 99 N 5.32 0.00 -7.19 -1.46 0.11 -1.91 -3.44 132.00 123.43 3isa h PRO 99 Ca -0.45 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.17 3isa h PRO 99 Cb 1.25 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.42 3isa h PRO 99 CO 0.84 0.13 0.38 -1.12 -0.21 0.00 0.00 178.00 178.02 3isa s SER 100 N -6.02 5.71 0.40 -2.05 0.01 -1.26 -4.07 113.70 106.42 3isa s SER 100 Ca -0.01 1.85 -0.25 0.00 1.31 0.00 0.00 55.95 58.84 3isa s SER 100 Cb 0.11 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 3isa s SER 100 CO 0.58 -1.22 1.19 -0.22 0.41 0.00 0.00 173.24 173.99 3isa s LEU 101 N -4.51 4.20 -0.02 2.44 2.96 0.11 -4.89 118.68 118.97 3isa s LEU 101 Ca 0.64 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 57.00 3isa s LEU 101 Cb -0.17 -4.00 -0.01 0.00 0.50 0.00 0.00 46.19 42.51 3isa s LEU 101 CO 0.37 -0.70 -0.17 0.42 -1.32 0.00 0.00 176.35 174.95 3isa s THR 102 N -1.39 1.37 -0.06 3.68 -4.23 -1.26 -0.77 115.64 112.98 3isa s THR 102 Ca 0.57 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3isa s THR 102 Cb -0.32 -1.15 0.02 0.00 1.34 0.00 0.00 72.50 72.39 3isa s THR 102 CO 0.40 0.39 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.56 3isa s LEU 103 N -0.32 1.50 -0.02 4.79 2.96 0.17 -0.92 118.68 126.85 3isa s LEU 103 Ca 0.05 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3isa s LEU 103 Cb -0.08 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 3isa s LEU 103 CO -0.00 -0.01 -0.22 0.00 -1.32 0.00 0.00 176.35 174.80 3isa s ALA 104 N 0.82 1.82 -0.21 5.97 0.00 -0.05 -0.25 121.76 129.86 3isa s ALA 104 Ca -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3isa s ALA 104 Cb -0.15 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.56 3isa s ALA 104 CO 0.02 0.45 -0.04 -0.51 0.00 0.00 0.00 175.76 175.67 3isa s LEU 105 N -0.53 2.06 0.01 0.00 1.43 -0.65 -1.78 118.68 119.23 3isa s LEU 105 Ca 0.08 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 3isa s LEU 105 Cb -0.08 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3isa s LEU 105 CO -0.01 -0.23 -0.05 0.00 0.23 0.00 0.00 176.35 176.29 3isa s ALA 106 N 1.54 3.08 0.28 4.21 0.00 -0.29 -4.37 121.76 126.21 3isa s ALA 106 Ca -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 3isa s ALA 106 Cb -0.17 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 3isa s ALA 106 CO -0.07 0.63 0.37 -3.38 0.00 0.00 0.00 175.76 173.31 3isa s HIS 107 N -1.05 0.96 0.00 0.00 -3.43 -1.26 -1.22 115.29 109.30 3isa s HIS 107 Ca 0.18 -1.20 0.00 0.00 -0.80 0.00 0.00 55.06 53.25 3isa s HIS 107 Cb -0.11 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 3isa s HIS 107 CO 0.09 -0.94 0.00 0.41 -2.00 0.00 0.00 174.74 172.30 3isa n GLY 108 N -0.45 0.96 3.51 -1.38 0.00 -1.22 -2.62 105.19 104.00 3isa n GLY 108 Ca 0.01 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 3isa n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3isa s ARG 109 N 0.00 3.77 0.06 1.61 0.52 -1.26 -1.09 118.95 122.56 3isa s ARG 109 Ca 0.00 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 54.88 3isa s ARG 109 Cb 0.00 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3isa s ARG 109 CO 0.00 -0.08 -0.26 -0.80 0.02 0.00 0.00 175.30 174.17 3isa s ASN 110 N 1.36 3.17 0.02 0.23 0.01 -0.46 -4.62 114.94 114.65 3isa s ASN 110 Ca 0.05 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.59 3isa s ASN 110 Cb -0.15 -0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.23 3isa s ASN 110 CO 0.04 0.24 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.47 3isa s PHE 111 N -0.86 0.33 0.00 2.20 0.08 -0.67 -1.44 117.98 117.62 3isa s PHE 111 Ca 0.12 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.86 3isa s PHE 111 Cb -0.10 -0.22 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 3isa s PHE 111 CO 0.03 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 3isa n GLY 112 N 2.18 3.38 0.32 4.36 0.00 0.59 -0.99 105.19 115.03 3isa n GLY 112 Ca -0.19 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.05 3isa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isa h ALA 113 N -0.65 1.59 -0.18 4.61 0.00 -1.90 -0.36 119.26 122.38 3isa h ALA 113 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3isa h ALA 113 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 113 CO 0.00 -0.16 0.06 0.78 0.00 0.00 0.00 179.25 179.93 3isa h GLY 114 N 0.00 0.30 1.13 0.00 0.00 -1.29 0.31 103.07 103.52 3isa h GLY 114 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3isa h GLY 114 CO -0.00 0.16 0.38 -2.08 0.00 0.00 0.00 176.54 175.00 3isa h VAL 115 N 0.11 1.24 -0.50 4.60 2.07 -1.09 -2.54 116.25 120.14 3isa h VAL 115 Ca 0.06 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3isa h VAL 115 Cb 0.22 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3isa h VAL 115 CO -0.00 0.29 -0.02 0.44 0.02 0.00 0.00 177.57 178.30 3isa h ASP 116 N 1.11 0.84 -0.22 0.57 3.32 -0.89 -0.51 116.42 120.64 3isa h ASP 116 Ca 0.27 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3isa h ASP 116 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3isa h ASP 116 CO -0.04 0.91 0.13 0.25 -1.72 0.00 0.00 179.24 178.77 3isa h LEU 117 N 0.80 0.28 -0.29 1.55 5.85 -0.77 -0.77 115.31 121.95 3isa h LEU 117 Ca 0.15 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3isa h LEU 117 Cb 0.51 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 3isa h LEU 117 CO 0.03 0.28 -0.12 0.15 -0.34 0.00 0.00 178.44 178.43 3isa h PHE 118 N 0.26 -0.29 -0.46 1.25 3.57 -1.28 -2.47 116.94 117.53 3isa h PHE 118 Ca 0.08 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3isa h PHE 118 Cb 0.06 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3isa h PHE 118 CO -0.04 -0.19 0.31 0.00 -2.23 0.00 0.00 178.31 176.16 3isa h ALA 119 N 1.18 1.99 0.00 2.41 0.00 -0.73 -1.98 119.26 122.12 3isa h ALA 119 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3isa h ALA 119 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3isa h ALA 119 CO -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3isa h ALA 120 N 1.76 1.00 -2.34 0.00 0.00 -0.65 -3.44 119.26 115.59 3isa h ALA 120 Ca 0.20 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.61 3isa h ALA 120 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3isa h ALA 120 CO -0.05 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.27 3isa h LYS 122 N 2.31 0.39 -5.05 0.00 1.79 -1.78 -3.42 116.57 110.80 3isa h LYS 122 Ca -0.48 -0.56 -0.63 0.00 -2.18 0.00 0.00 60.65 56.80 3isa h LYS 122 Cb 1.17 0.19 -0.15 0.00 -1.58 0.00 0.00 32.23 31.87 3isa h LYS 122 CO 0.66 1.24 -0.45 -1.58 -1.08 0.00 0.00 179.45 178.23 3isa s TRP 123 N -2.73 3.28 -0.12 -1.35 0.52 -0.10 -5.01 118.94 113.42 3isa s TRP 123 Ca -0.13 0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 3isa s TRP 123 Cb 0.02 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.00 3isa s TRP 123 CO 0.85 -0.07 -0.06 1.03 0.02 0.00 0.00 176.95 178.72 3isa s ARG 124 N 1.48 1.44 0.05 4.98 0.52 -1.26 -0.87 118.95 125.30 3isa s ARG 124 Ca 0.09 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3isa s ARG 124 Cb -0.15 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 3isa s ARG 124 CO 0.08 -0.31 -0.12 0.71 0.02 0.00 0.00 175.30 175.67 3isa s TYR 125 N 1.71 1.07 0.09 -0.53 2.02 -0.73 -0.94 117.35 120.03 3isa s TYR 125 Ca 0.04 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3isa s TYR 125 Cb -0.13 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 3isa s TYR 125 CO -0.08 0.02 0.06 0.00 -1.57 0.00 0.00 175.55 173.98 3isa s THR 127 N -3.95 2.52 0.65 0.00 -4.23 -0.36 -0.86 115.64 109.42 3isa s THR 127 Ca 0.12 0.28 0.37 0.00 -1.18 0.00 0.00 61.69 61.28 3isa s THR 127 Cb 0.07 -2.93 0.39 0.00 1.34 0.00 0.00 72.50 71.37 3isa s THR 127 CO -0.06 -0.11 2.19 1.55 -0.54 0.00 0.00 174.62 177.65 3isa h PRO 128 N 0.17 0.00 -0.02 3.99 0.13 -1.92 -2.05 132.00 132.29 3isa h PRO 128 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3isa h PRO 128 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3isa h PRO 128 CO 0.52 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.66 3isa n GLU 129 N -3.17 2.05 -2.09 0.86 4.71 -1.26 -4.46 120.64 117.28 3isa n GLU 129 Ca -0.02 -1.56 -0.36 0.00 -0.01 0.00 0.00 57.16 55.21 3isa n GLU 129 Cb 0.20 -1.47 0.02 0.00 -1.01 0.00 0.00 31.44 29.19 3isa n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3isa s ALA 130 N -2.02 2.63 0.13 0.62 0.00 -0.77 -4.68 121.76 117.66 3isa s ALA 130 Ca 0.31 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.28 3isa s ALA 130 Cb 0.20 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3isa s ALA 130 CO 0.32 -1.02 -0.12 0.20 0.00 0.00 0.00 175.76 175.15 3isa s GLY 131 N -1.60 1.04 0.02 0.00 0.00 -0.25 -1.75 107.32 104.78 3isa s GLY 131 Ca 0.75 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3isa s GLY 131 CO 0.32 -1.46 -0.05 -1.36 0.00 0.00 0.00 173.10 170.55 3isa s PHE 132 N -2.75 0.43 -0.20 1.90 0.08 -0.20 -1.35 117.98 115.88 3isa s PHE 132 Ca 0.12 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 3isa s PHE 132 Cb -0.01 -0.27 0.06 0.00 -0.57 0.00 0.00 43.02 42.23 3isa s PHE 132 CO 0.02 -0.08 0.51 0.50 -0.10 0.00 0.00 175.22 176.06 3isa s ARG 133 N -1.03 0.55 -0.58 0.44 3.52 -0.52 -1.02 118.95 120.31 3isa s ARG 133 Ca -0.08 0.82 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3isa s ARG 133 Cb -0.07 0.17 0.15 0.00 -1.56 0.00 0.00 34.95 33.64 3isa s ARG 133 CO -0.00 -0.11 0.36 -1.64 -0.81 0.00 0.00 175.30 173.10 3isa s MET 134 N 0.85 2.31 0.00 5.12 -1.94 -1.26 -0.30 119.30 124.08 3isa s MET 134 Ca -0.05 -2.59 0.26 0.00 -1.71 0.00 0.00 55.69 51.61 3isa s MET 134 Cb -0.05 -3.55 0.75 0.00 2.01 0.00 0.00 34.83 33.98 3isa s MET 134 CO -0.07 -1.15 1.56 -0.35 -0.01 0.00 0.00 175.02 175.01 3isa n PRO 135 N 3.30 1.28 -0.17 2.03 -0.04 -1.26 -4.57 135.00 135.56 3isa n PRO 135 Ca 0.07 -0.82 0.18 0.00 -0.04 0.00 0.00 63.50 62.89 3isa n PRO 135 Cb 0.35 -1.48 0.55 0.00 -0.04 0.00 0.00 33.50 32.87 3isa n PRO 135 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3isa h GLY 136 N 4.88 0.62 1.72 0.55 0.00 -1.92 -0.44 103.07 108.47 3isa h GLY 136 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3isa h GLY 136 CO 0.00 0.03 0.11 1.41 0.00 0.00 0.00 176.54 178.09 3isa h LEU 137 N 0.33 0.00 -2.29 3.11 3.38 -1.79 -0.21 115.31 117.84 3isa h LEU 137 Ca 0.39 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.38 3isa h LEU 137 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3isa h LEU 137 CO -0.12 0.00 0.06 0.11 0.09 0.00 0.00 178.44 178.58 3isa h LYS 138 N 0.00 0.00 -0.21 1.13 1.79 -1.40 -0.50 116.57 117.38 3isa h LYS 138 Ca 0.05 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3isa h LYS 138 Cb 0.27 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 3isa h LYS 138 CO -0.00 0.00 -0.11 1.97 -1.08 0.00 0.00 179.45 180.23 3isa n PHE 139 N -4.02 0.68 -0.86 -1.35 1.16 -0.24 -4.82 117.46 108.02 3isa n PHE 139 Ca -0.02 -1.30 0.00 0.00 -1.87 0.00 0.00 57.45 54.27 3isa n PHE 139 Cb 0.16 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.68 3isa n PHE 139 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3isa n GLY 140 N -1.03 0.78 3.70 4.97 0.00 -0.20 -4.73 105.19 108.69 3isa n GLY 140 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3isa n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3isa s LEU 141 N 0.00 4.34 -0.67 0.99 2.96 -0.35 -4.70 118.68 121.25 3isa s LEU 141 Ca 0.00 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 3isa s LEU 141 Cb 0.00 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.29 3isa s LEU 141 CO 0.00 -0.38 0.50 -0.69 -1.32 0.00 0.00 176.35 174.46 3isa s VAL 142 N 1.35 3.99 -0.08 1.68 1.01 -1.26 -3.09 120.40 124.00 3isa s VAL 142 Ca 0.53 -2.97 -0.00 0.00 0.00 0.00 0.00 61.98 59.54 3isa s VAL 142 Cb -0.23 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3isa s VAL 142 CO 0.26 -0.91 -0.03 -0.22 0.00 0.00 0.00 175.10 174.19 3isa s LEU 143 N -0.13 0.94 0.00 3.92 2.96 -1.26 -3.45 118.68 121.65 3isa s LEU 143 Ca 0.18 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3isa s LEU 143 Cb -0.18 -0.55 0.00 0.00 0.50 0.00 0.00 46.19 45.95 3isa s LEU 143 CO -0.04 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3isa n GLY 144 N 4.81 0.58 0.31 7.98 0.00 -1.26 -4.94 105.19 112.66 3isa n GLY 144 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3isa n GLY 144 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3isa h THR 145 N 0.00 0.41 -0.27 2.61 2.02 -1.98 -0.43 112.91 115.27 3isa h THR 145 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3isa h THR 145 Cb 0.11 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3isa h THR 145 CO 0.00 0.00 -0.39 0.03 0.37 0.00 0.00 175.52 175.53 3isa h ARG 146 N -0.56 0.64 -0.75 6.66 3.08 -1.98 -1.41 114.38 120.07 3isa h ARG 146 Ca 0.00 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 3isa h ARG 146 Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3isa h ARG 146 CO -0.09 0.93 0.23 0.00 -1.07 0.00 0.00 179.97 179.97 3isa h ARG 147 N 0.53 1.16 -0.22 0.04 3.08 -1.94 -0.15 114.38 116.88 3isa h ARG 147 Ca 0.05 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3isa h ARG 147 Cb 0.91 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3isa h ARG 147 CO 0.08 0.99 0.07 0.35 -1.07 0.00 0.00 179.97 180.40 3isa h PHE 148 N 1.12 0.36 -0.61 3.04 3.57 -0.91 -2.61 116.94 120.90 3isa h PHE 148 Ca 0.24 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.83 3isa h PHE 148 Cb 0.31 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.85 3isa h PHE 148 CO 0.03 0.41 0.01 -0.09 -2.23 0.00 0.00 178.31 176.44 3isa h ARG 149 N 0.20 0.12 -0.11 1.11 2.43 -0.98 -1.00 114.38 116.15 3isa h ARG 149 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3isa h ARG 149 Cb 0.22 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3isa h ARG 149 CO -0.00 0.08 0.02 -0.44 -1.51 0.00 0.00 179.97 178.12 3isa h ASP 150 N 0.13 0.14 0.04 -3.80 3.32 -0.83 0.45 116.42 115.86 3isa h ASP 150 Ca 0.32 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3isa h ASP 150 Cb 0.51 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3isa h ASP 150 CO -0.51 0.15 -0.02 0.40 -1.72 0.00 0.00 179.24 177.55 3isa h ILE 151 N 0.16 1.19 0.00 0.35 2.04 -0.93 -3.40 117.51 116.92 3isa h ILE 151 Ca 0.04 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3isa h ILE 151 Cb 0.07 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3isa h ILE 151 CO -0.00 0.38 -1.32 1.33 0.00 0.00 0.00 178.15 178.54 3isa n VAL 152 N -4.73 0.00 0.00 1.67 0.24 -0.47 -4.82 118.33 110.22 3isa n VAL 152 Ca -0.07 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3isa n VAL 152 Cb 0.32 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3isa n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3isa n GLY 153 N 1.42 0.97 0.32 7.63 0.00 0.16 -4.34 105.19 111.35 3isa n GLY 153 Ca 0.01 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.43 3isa n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isa h ALA 154 N 0.00 1.84 0.30 4.61 0.00 -1.95 -1.04 119.26 123.02 3isa h ALA 154 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3isa h ALA 154 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3isa h ALA 154 CO 0.00 0.10 -0.14 0.22 0.00 0.00 0.00 179.25 179.42 3isa h ASP 155 N 0.46 -0.34 -0.50 0.00 3.58 -1.94 -1.12 116.42 116.57 3isa h ASP 155 Ca 0.19 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3isa h ASP 155 Cb 0.17 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3isa h ASP 155 CO -0.05 0.04 0.14 1.56 -2.88 0.00 0.00 179.24 178.05 3isa h GLN 156 N -0.77 0.84 -0.63 0.28 1.08 -1.72 -1.51 115.11 112.68 3isa h GLN 156 Ca -0.04 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 3isa h GLN 156 Cb 0.51 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 3isa h GLN 156 CO 0.07 0.75 0.28 0.00 -0.95 0.00 0.00 178.83 178.97 3isa h ALA 157 N 1.34 0.82 -0.57 3.87 0.00 -1.18 -1.41 119.26 122.13 3isa h ALA 157 Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3isa h ALA 157 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3isa h ALA 157 CO -0.00 0.41 0.13 1.25 0.00 0.00 0.00 179.25 181.03 3isa h LEU 158 N 0.87 0.87 -0.44 0.00 5.85 -0.91 0.13 115.31 121.68 3isa h LEU 158 Ca 0.21 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3isa h LEU 158 Cb 0.17 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3isa h LEU 158 CO -0.02 0.88 0.15 0.28 -0.34 0.00 0.00 178.44 179.39 3isa h SER 159 N 0.81 0.15 0.00 1.25 0.02 -0.98 -0.16 113.55 114.65 3isa h SER 159 Ca 0.18 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3isa h SER 159 Cb 0.36 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3isa h SER 159 CO 0.00 0.12 -0.13 0.40 -1.14 0.00 0.00 176.83 176.09 3isa h ILE 160 N 0.32 1.27 -0.07 3.27 2.04 -1.17 -3.35 117.51 119.81 3isa h ILE 160 Ca 0.21 -1.99 -0.19 0.00 1.00 0.00 0.00 64.86 63.89 3isa h ILE 160 Cb 0.21 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3isa h ILE 160 CO -0.22 0.43 -0.74 -0.07 0.00 0.00 0.00 178.15 177.55 3isa h LEU 161 N -1.00 0.48 -2.00 1.44 3.38 -0.82 -1.50 115.31 115.28 3isa h LEU 161 Ca -0.03 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.72 3isa h LEU 161 Cb 0.79 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3isa h LEU 161 CO -0.02 1.06 0.25 1.23 0.09 0.00 0.00 178.44 181.05 3isa h GLY 162 N 1.30 0.00 -1.03 0.83 0.00 -1.13 0.29 103.07 103.32 3isa h GLY 162 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3isa h GLY 162 CO 0.13 0.00 -0.09 1.44 0.00 0.00 0.00 176.54 178.02 3isa n SER 163 N -4.43 2.02 -4.03 0.19 7.64 -1.22 -5.00 113.62 108.79 3isa n SER 163 Ca 0.05 -1.51 -0.29 0.00 1.01 0.00 0.00 58.87 58.14 3isa n SER 163 Cb 0.43 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3isa n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3isa n ALA 164 N 0.53 -1.75 -2.65 -0.43 0.00 0.09 -4.93 120.51 111.37 3isa n ALA 164 Ca 0.08 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3isa n ALA 164 Cb 0.35 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3isa n ALA 164 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3isa s ARG 165 N -6.67 3.02 0.61 0.00 1.70 -0.63 -4.47 118.95 112.50 3isa s ARG 165 Ca 0.25 -1.06 -0.14 0.00 -0.47 0.00 0.00 55.73 54.31 3isa s ARG 165 Cb -0.14 -2.68 -0.03 0.00 -0.57 0.00 0.00 34.95 31.53 3isa s ARG 165 CO 0.90 0.22 1.04 0.00 -1.08 0.00 0.00 175.30 176.38 3isa s ALA 166 N -2.17 2.81 -0.01 7.88 0.00 -1.26 -4.40 121.76 124.61 3isa s ALA 166 Ca 0.39 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 3isa s ALA 166 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3isa s ALA 166 CO 0.28 -0.81 0.11 -0.59 0.00 0.00 0.00 175.76 174.76 3isa s PHE 167 N -2.69 0.02 0.38 0.00 -0.12 -0.19 -5.00 117.98 110.39 3isa s PHE 167 Ca 0.61 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 57.48 3isa s PHE 167 Cb -0.14 -0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.28 3isa s PHE 167 CO 0.42 -0.21 0.53 -0.40 -0.05 0.00 0.00 175.22 175.50 3isa n ASP 168 N 1.92 1.23 -0.11 1.98 5.68 -1.26 -1.03 116.55 124.95 3isa n ASP 168 Ca -0.20 -1.91 -0.02 0.00 -0.50 0.00 0.00 54.79 52.15 3isa n ASP 168 Cb 0.56 -0.29 0.22 0.00 -1.14 0.00 0.00 41.12 40.47 3isa n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3isa h ALA 169 N 0.10 1.26 -0.45 2.12 0.00 -1.56 -1.31 119.26 119.43 3isa h ALA 169 Ca -0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3isa h ALA 169 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3isa h ALA 169 CO 0.24 0.52 0.04 0.22 0.00 0.00 0.00 179.25 180.26 3isa h ASP 170 N 0.76 0.74 -0.48 0.00 1.82 -1.88 -0.90 116.42 116.47 3isa h ASP 170 Ca 0.17 -0.28 -0.12 0.00 -0.39 0.00 0.00 57.03 56.41 3isa h ASP 170 Cb 0.27 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 3isa h ASP 170 CO -0.00 0.84 -0.17 -0.08 -1.61 0.00 0.00 179.24 178.21 3isa h GLU 171 N 0.61 0.97 -0.46 0.28 4.81 -1.91 -1.51 114.58 117.37 3isa h GLU 171 Ca 0.13 -0.40 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3isa h GLU 171 Cb 0.43 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3isa h GLU 171 CO 0.02 1.07 0.17 0.00 -0.73 0.00 0.00 179.01 179.53 3isa h ALA 172 N 0.87 0.56 -0.24 2.92 0.00 -1.07 -0.61 119.26 121.68 3isa h ALA 172 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3isa h ALA 172 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3isa h ALA 172 CO 0.06 -0.22 0.12 -0.09 0.00 0.00 0.00 179.25 179.12 3isa h ARG 173 N 0.35 0.35 -0.66 0.00 2.43 -1.03 0.15 114.38 115.97 3isa h ARG 173 Ca 0.22 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3isa h ARG 173 Cb 0.21 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3isa h ARG 173 CO -0.21 0.36 0.41 -0.09 -1.51 0.00 0.00 179.97 178.92 3isa h ARG 174 N 0.26 0.89 -0.01 0.20 2.43 -0.66 -2.51 114.38 114.98 3isa h ARG 174 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3isa h ARG 174 Cb 0.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3isa h ARG 174 CO -0.01 0.62 -0.09 0.44 -1.51 0.00 0.00 179.97 179.42 3isa n ILE 175 N -4.41 0.00 -0.55 1.20 -5.35 -0.29 -4.93 119.36 105.03 3isa n ILE 175 Ca 0.07 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3isa n ILE 175 Cb 0.06 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3isa n ILE 175 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3isa n GLY 176 N 1.24 0.75 0.19 3.28 0.00 -0.95 -4.45 105.19 105.25 3isa n GLY 176 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3isa n GLY 176 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3isa h PHE 177 N 0.00 0.32 -4.21 1.61 3.57 -0.95 -3.42 116.94 113.87 3isa h PHE 177 Ca 0.00 -0.10 -0.65 0.00 3.53 0.00 0.00 57.97 60.75 3isa h PHE 177 Cb 0.00 -0.07 -0.26 0.00 2.79 0.00 0.00 35.95 38.42 3isa h PHE 177 CO 0.00 0.68 -0.86 0.14 -2.23 0.00 0.00 178.31 176.04 3isa s VAL 178 N -4.06 1.97 0.19 1.41 -7.23 -1.03 -4.82 120.40 106.83 3isa s VAL 178 Ca -0.05 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 3isa s VAL 178 Cb 0.13 -1.70 0.10 0.00 0.56 0.00 0.00 36.38 35.47 3isa s VAL 178 CO 0.78 0.27 1.74 0.03 -0.31 0.00 0.00 175.10 177.61 3isa h ARG 179 N 4.71 1.02 -1.99 4.82 3.08 -1.29 -3.39 114.38 121.34 3isa h ARG 179 Ca -0.45 -0.20 0.24 0.00 0.07 0.00 0.00 59.98 59.63 3isa h ARG 179 Cb 1.15 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.95 3isa h ARG 179 CO 0.43 0.87 0.62 0.34 -1.07 0.00 0.00 179.97 181.16 3isa s ASP 180 N -6.24 -0.13 0.21 7.04 -1.08 -1.26 -5.03 116.67 110.18 3isa s ASP 180 Ca -0.13 -0.30 -0.05 0.00 -0.52 0.00 0.00 52.55 51.55 3isa s ASP 180 Cb 0.14 0.36 -0.06 0.00 -1.46 0.00 0.00 42.92 41.91 3isa s ASP 180 CO 0.82 -0.67 0.46 0.00 0.52 0.00 0.00 175.17 176.30 3isa s ALA 182 N -1.83 -1.83 0.60 0.00 0.00 -0.04 -4.91 121.76 113.75 3isa s ALA 182 Ca 0.42 2.31 -0.19 0.00 0.00 0.00 0.00 51.96 54.51 3isa s ALA 182 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3isa s ALA 182 CO 0.26 -0.51 1.23 0.00 0.00 0.00 0.00 175.76 176.74 3isa s ALA 183 N 1.94 2.52 0.43 0.00 0.00 -1.26 -3.34 121.76 122.04 3isa s ALA 183 Ca -0.09 1.05 0.17 0.00 0.00 0.00 0.00 51.96 53.09 3isa s ALA 183 Cb -0.07 -3.47 1.08 0.00 0.00 0.00 0.00 23.12 20.66 3isa s ALA 183 CO -0.19 -1.24 1.89 1.96 0.00 0.00 0.00 175.76 178.18 3isa h GLN 184 N 0.84 0.39 0.00 0.00 4.20 -1.96 0.16 115.11 118.73 3isa h GLN 184 Ca -0.51 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 3isa h GLN 184 Cb 1.31 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 3isa h GLN 184 CO 0.55 0.26 -0.09 0.00 -0.67 0.00 0.00 178.83 178.87 3isa h ALA 185 N 1.62 1.75 -0.00 3.87 0.00 -2.06 -2.16 119.26 122.28 3isa h ALA 185 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3isa h ALA 185 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3isa h ALA 185 CO -0.14 0.11 -0.12 1.04 0.00 0.00 0.00 179.25 180.14 3isa n GLN 186 N -4.29 0.77 -0.09 0.00 6.02 0.04 -4.35 117.38 115.49 3isa n GLN 186 Ca -0.03 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.00 56.55 3isa n GLN 186 Cb 0.17 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 3isa n GLN 186 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3isa h TRP 187 N 0.74 0.48 -0.70 1.08 4.06 -1.38 -2.65 115.95 117.58 3isa h TRP 187 Ca 0.00 -0.07 0.15 0.00 2.06 0.00 0.00 58.89 61.03 3isa h TRP 187 Cb 0.38 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3isa h TRP 187 CO 0.00 0.56 0.48 -1.35 -3.56 0.00 0.00 178.44 174.57 3isa h PRO 188 N 0.27 0.30 -0.28 0.49 0.11 -1.77 -0.91 132.00 130.21 3isa h PRO 188 Ca 0.08 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 3isa h PRO 188 Cb 0.33 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3isa h PRO 188 CO 0.01 0.20 -0.43 0.00 -0.21 0.00 0.00 178.00 177.57 3isa h ALA 189 N 1.66 0.73 -0.64 -0.75 0.00 -1.82 -2.80 119.26 115.66 3isa h ALA 189 Ca 0.34 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3isa h ALA 189 Cb 0.90 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3isa h ALA 189 CO -0.09 0.66 0.22 -0.07 0.00 0.00 0.00 179.25 179.97 3isa h LEU 190 N 0.55 0.91 -0.54 0.00 3.38 -0.87 -2.04 115.31 116.70 3isa h LEU 190 Ca 0.04 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3isa h LEU 190 Cb 0.96 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3isa h LEU 190 CO 0.09 0.86 0.28 0.40 0.09 0.00 0.00 178.44 180.17 3isa h ILE 191 N 0.91 0.96 -0.62 1.22 2.04 -1.20 0.80 117.51 121.61 3isa h ILE 191 Ca 0.21 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3isa h ILE 191 Cb 0.27 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3isa h ILE 191 CO -0.01 0.10 0.30 0.44 0.00 0.00 0.00 178.15 178.98 3isa h ASP 192 N 0.54 0.82 -0.69 1.72 3.32 -1.32 0.47 116.42 121.28 3isa h ASP 192 Ca 0.24 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3isa h ASP 192 Cb 0.14 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3isa h ASP 192 CO -0.16 0.72 0.28 0.00 -1.72 0.00 0.00 179.24 178.35 3isa h ALA 193 N 1.13 1.14 -0.52 3.45 0.00 -1.00 -2.24 119.26 121.22 3isa h ALA 193 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3isa h ALA 193 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3isa h ALA 193 CO -0.03 0.61 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 3isa h ALA 194 N 1.27 0.70 -0.49 0.00 0.00 -0.43 -1.95 119.26 118.36 3isa h ALA 194 Ca 0.24 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3isa h ALA 194 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 194 CO -0.02 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3isa h ALA 195 N 0.92 1.11 -0.51 0.00 0.00 -0.72 0.13 119.26 120.18 3isa h ALA 195 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3isa h ALA 195 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3isa h ALA 195 CO 0.04 0.57 0.09 0.93 0.00 0.00 0.00 179.25 180.88 3isa h GLU 196 N 0.75 0.84 -0.59 0.00 5.08 -1.37 -2.60 114.58 116.70 3isa h GLU 196 Ca 0.15 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3isa h GLU 196 Cb 0.44 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3isa h GLU 196 CO 0.02 0.83 0.23 0.00 -1.00 0.00 0.00 179.01 179.09 3isa h ALA 197 N 0.98 0.77 0.00 3.43 0.00 -0.93 -2.75 119.26 120.76 3isa h ALA 197 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3isa h ALA 197 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3isa h ALA 197 CO 0.01 0.39 -0.27 0.00 0.00 0.00 0.00 179.25 179.37 3isa h ALA 198 N 1.08 1.38 -0.49 0.00 0.00 -0.86 -2.67 119.26 117.69 3isa h ALA 198 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3isa h ALA 198 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3isa h ALA 198 CO -0.02 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.82 3isa n THR 199 N -3.97 0.69 0.26 0.00 -2.24 -0.99 -4.38 114.28 103.66 3isa n THR 199 Ca -0.02 -0.85 0.15 0.00 -2.27 0.00 0.00 64.05 61.07 3isa n THR 199 Cb 0.34 0.80 0.66 0.00 -2.10 0.00 0.00 70.33 70.04 3isa n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3isa h ALA 200 N 4.18 1.05 -3.34 6.98 0.00 -1.17 -3.43 119.26 123.51 3isa h ALA 200 Ca 0.00 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.24 3isa h ALA 200 Cb 0.96 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.54 3isa h ALA 200 CO 0.00 0.10 -0.82 -0.51 0.00 0.00 0.00 179.25 178.03 3isa s LEU 201 N -6.51 2.38 0.64 0.00 1.43 -1.26 -5.13 118.68 110.23 3isa s LEU 201 Ca -0.00 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 52.12 3isa s LEU 201 Cb 0.10 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3isa s LEU 201 CO 0.57 0.06 1.25 1.51 0.23 0.00 0.00 176.35 179.97 3isa s ASP 202 N -2.36 4.75 0.28 2.29 1.47 -1.26 -4.69 116.67 117.15 3isa s ASP 202 Ca 0.14 2.51 0.01 0.00 1.18 0.00 0.00 52.55 56.39 3isa s ASP 202 Cb -0.08 -2.61 0.54 0.00 -0.34 0.00 0.00 42.92 40.43 3isa s ASP 202 CO 0.07 -1.90 1.84 -0.65 0.68 0.00 0.00 175.17 175.20 3isa h PRO 203 N 0.55 0.97 -0.46 2.11 0.11 -1.96 0.08 132.00 133.41 3isa h PRO 203 Ca -0.50 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.42 3isa h PRO 203 Cb 1.32 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3isa h PRO 203 CO 0.53 0.64 -0.21 0.00 -0.21 0.00 0.00 178.00 178.76 3isa h ALA 204 N 1.53 0.77 -0.43 -0.75 0.00 -1.99 -1.65 119.26 116.74 3isa h ALA 204 Ca 0.49 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3isa h ALA 204 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3isa h ALA 204 CO -0.26 0.66 -0.13 1.15 0.00 0.00 0.00 179.25 180.67 3isa h THR 205 N 0.80 1.27 -0.09 0.00 2.02 -1.74 -0.71 112.91 114.46 3isa h THR 205 Ca 0.11 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.06 3isa h THR 205 Cb 0.76 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3isa h THR 205 CO 0.06 0.42 -0.05 -0.09 0.37 0.00 0.00 175.52 176.23 3isa h ARG 206 N 0.67 -0.05 -0.29 6.66 2.43 -0.97 0.15 114.38 122.99 3isa h ARG 206 Ca 0.11 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3isa h ARG 206 Cb 0.67 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 3isa h ARG 206 CO 0.05 -0.03 -0.15 0.00 -1.51 0.00 0.00 179.97 178.32 3isa h ALA 207 N 1.03 0.07 -0.27 2.80 0.00 -1.17 -1.87 119.26 119.85 3isa h ALA 207 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 207 Cb 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3isa h ALA 207 CO -0.12 -0.55 0.16 1.15 0.00 0.00 0.00 179.25 179.89 3isa h THR 208 N -0.11 1.03 -0.39 0.00 2.02 -0.83 -2.10 112.91 112.52 3isa h THR 208 Ca 0.15 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.28 3isa h THR 208 Cb 0.34 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 3isa h THR 208 CO -0.36 0.06 0.05 0.25 0.37 0.00 0.00 175.52 175.89 3isa h LEU 209 N 0.32 -0.04 -0.67 2.58 5.85 -0.65 0.42 115.31 123.13 3isa h LEU 209 Ca 0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3isa h LEU 209 Cb 0.00 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3isa h LEU 209 CO -0.05 0.02 0.39 0.45 -0.34 0.00 0.00 178.44 178.91 3isa h HIS 210 N 0.17 0.89 -0.27 1.25 3.86 -1.15 -0.91 115.15 118.98 3isa h HIS 210 Ca 0.19 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3isa h HIS 210 Cb 0.24 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3isa h HIS 210 CO -0.22 0.61 0.14 -0.09 0.86 0.00 0.00 177.93 179.23 3isa h ARG 211 N 0.91 0.39 -0.60 2.45 2.43 -0.86 -2.21 114.38 116.89 3isa h ARG 211 Ca 0.24 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3isa h ARG 211 Cb -0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3isa h ARG 211 CO -0.04 0.37 0.24 0.28 -1.51 0.00 0.00 179.97 179.31 3isa h VAL 212 N 0.31 1.23 0.00 0.20 2.07 -0.72 -3.05 116.25 116.29 3isa h VAL 212 Ca 0.09 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 3isa h VAL 212 Cb 0.10 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3isa h VAL 212 CO -0.01 0.28 -0.54 -0.07 0.02 0.00 0.00 177.57 177.25 3isa h LEU 213 N 0.84 0.00 -9.80 2.57 3.38 -1.10 -3.47 115.31 107.74 3isa h LEU 213 Ca 0.20 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.68 3isa h LEU 213 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3isa h LEU 213 CO -0.02 0.54 0.42 -0.60 0.09 0.00 0.00 178.44 178.87 3isa s ARG 214 N -3.66 4.69 -0.61 1.13 3.52 -0.84 -5.00 118.95 118.20 3isa s ARG 214 Ca -0.01 1.65 -0.20 0.00 -0.13 0.00 0.00 55.73 57.04 3isa s ARG 214 Cb 0.12 -3.17 0.09 0.00 -1.56 0.00 0.00 34.95 30.43 3isa s ARG 214 CO 0.74 0.31 0.79 0.34 -0.81 0.00 0.00 175.30 176.67 3isa s ASP 215 N -1.06 6.19 -0.51 -2.12 2.15 -1.26 -5.00 116.67 115.05 3isa s ASP 215 Ca 0.44 -1.21 -0.23 0.00 0.43 0.00 0.00 52.55 51.99 3isa s ASP 215 Cb -0.29 -2.34 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 3isa s ASP 215 CO 0.36 -1.21 0.82 -0.62 -0.17 0.00 0.00 175.17 174.36 3isa s ASP 216 N 3.54 6.34 -0.28 -0.34 2.15 -1.26 -4.86 116.67 121.96 3isa s ASP 216 Ca 0.16 -0.39 0.11 0.00 0.43 0.00 0.00 52.55 52.86 3isa s ASP 216 Cb -0.21 -2.39 0.47 0.00 -0.30 0.00 0.00 42.92 40.49 3isa s ASP 216 CO 0.08 -1.05 1.17 0.00 -0.17 0.00 0.00 175.17 175.20 3isa n HIS 217 N 6.95 2.28 -0.19 -5.34 1.44 -1.26 -4.91 115.22 114.18 3isa n HIS 217 Ca 0.00 -2.15 -0.02 0.00 -2.01 0.00 0.00 57.72 53.53 3isa n HIS 217 Cb 0.47 -0.31 0.08 0.00 0.12 0.00 0.00 29.99 30.35 3isa n HIS 217 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 3isa h ASP 218 N 2.21 0.39 -0.27 4.39 3.32 -1.99 -0.26 116.42 124.21 3isa h ASP 218 Ca 0.24 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3isa h ASP 218 Cb 1.46 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 3isa h ASP 218 CO 0.60 0.25 0.07 0.44 -1.72 0.00 0.00 179.24 178.88 3isa h ASP 219 N 0.53 0.41 -0.68 6.45 5.19 -1.99 0.09 116.42 126.42 3isa h ASP 219 Ca 0.27 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3isa h ASP 219 Cb 0.21 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 3isa h ASP 219 CO -0.20 0.53 0.44 0.00 -3.12 0.00 0.00 179.24 176.88 3isa h ALA 220 N 0.90 0.86 -0.10 3.45 0.00 -1.92 0.26 119.26 122.71 3isa h ALA 220 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3isa h ALA 220 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 220 CO 0.00 0.30 0.06 -0.44 0.00 0.00 0.00 179.25 179.18 3isa h ASP 221 N 0.92 0.12 -0.53 0.00 3.32 -0.84 -1.40 116.42 118.01 3isa h ASP 221 Ca 0.25 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3isa h ASP 221 Cb -0.08 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3isa h ASP 221 CO -0.05 0.12 -0.03 0.25 -1.72 0.00 0.00 179.24 177.81 3isa h LEU 222 N 0.11 0.94 -0.33 1.55 5.85 -0.80 -1.06 115.31 121.58 3isa h LEU 222 Ca 0.04 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3isa h LEU 222 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3isa h LEU 222 CO -0.01 1.04 0.18 0.00 -0.34 0.00 0.00 178.44 179.31 3isa h ALA 223 N 0.94 0.40 -0.68 1.25 0.00 -0.91 -0.64 119.26 119.62 3isa h ALA 223 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3isa h ALA 223 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3isa h ALA 223 CO 0.03 -0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.30 3isa h ALA 224 N 1.15 0.89 0.16 0.00 0.00 -1.15 -1.26 119.26 119.06 3isa h ALA 224 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3isa h ALA 224 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3isa h ALA 224 CO -0.07 0.59 -0.16 1.25 0.00 0.00 0.00 179.25 180.87 3isa h LEU 225 N 1.01 -0.42 -0.21 0.00 6.46 -0.97 -2.05 115.31 119.13 3isa h LEU 225 Ca 0.22 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 3isa h LEU 225 Cb 0.33 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3isa h LEU 225 CO -0.00 -0.24 0.09 0.00 -0.62 0.00 0.00 178.44 177.67 3isa h ALA 226 N 0.45 0.24 -0.57 1.25 0.00 -0.85 -1.57 119.26 118.22 3isa h ALA 226 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 226 Cb 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3isa h ALA 226 CO -0.04 -0.32 0.31 0.00 0.00 0.00 0.00 179.25 179.20 3isa h ARG 227 N 0.21 0.58 -0.46 0.00 3.08 -1.23 -0.13 114.38 116.43 3isa h ARG 227 Ca 0.08 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3isa h ARG 227 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3isa h ARG 227 CO -0.07 0.38 0.11 0.66 -1.07 0.00 0.00 179.97 179.99 3isa h SER 228 N 0.60 0.69 1.78 7.04 4.64 -0.95 -2.91 113.55 124.45 3isa h SER 228 Ca 0.25 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3isa h SER 228 Cb 0.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3isa h SER 228 CO -0.15 0.74 -0.19 0.00 -0.87 0.00 0.00 176.83 176.36 3isa h ALA 229 N 0.97 0.90 -0.01 5.18 0.00 -1.16 -3.31 119.26 121.84 3isa h ALA 229 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3isa h ALA 229 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3isa h ALA 229 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 3isa n ALA 230 N -2.10 2.90 -1.97 0.00 0.00 -0.07 -4.74 120.51 114.53 3isa n ALA 230 Ca 0.03 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3isa n ALA 230 Cb 0.53 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 3isa n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3isa s GLN 231 N -2.31 4.25 0.38 0.00 -1.52 -1.11 -4.93 119.66 114.41 3isa s GLN 231 Ca 0.29 2.29 -0.25 0.00 -1.95 0.00 0.00 55.36 55.74 3isa s GLN 231 Cb 0.20 -3.17 -0.12 0.00 -0.22 0.00 0.00 33.01 29.70 3isa s GLN 231 CO 0.45 -0.54 0.94 -2.30 -0.25 0.00 0.00 175.29 173.59 3isa n PRO 232 N 3.66 1.22 -0.58 2.91 -0.02 -1.26 -2.97 135.00 137.96 3isa n PRO 232 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3isa n PRO 232 Cb 0.40 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3isa n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3isa n GLY 233 N 1.29 0.66 0.19 -1.23 0.00 -1.26 -5.00 105.19 99.85 3isa n GLY 233 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3isa n GLY 233 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3isa h PHE 234 N 0.00 -0.35 -0.98 1.61 3.57 -1.84 -1.39 116.94 117.56 3isa h PHE 234 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3isa h PHE 234 Cb 0.00 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 3isa h PHE 234 CO 0.00 -0.21 0.63 0.87 -2.23 0.00 0.00 178.31 177.37 3isa h LYS 235 N -0.13 1.14 -0.57 1.11 1.57 -1.94 -1.39 116.57 116.36 3isa h LYS 235 Ca 0.13 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3isa h LYS 235 Cb 0.32 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3isa h LYS 235 CO -0.31 0.75 0.01 0.00 -0.57 0.00 0.00 179.45 179.34 3isa h ALA 236 N 1.43 0.94 -0.59 3.86 0.00 -1.88 0.84 119.26 123.87 3isa h ALA 236 Ca 0.42 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 236 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3isa h ALA 236 CO -0.16 0.64 0.11 0.00 0.00 0.00 0.00 179.25 179.84 3isa h ARG 237 N 0.91 0.96 -0.03 0.00 3.08 -0.70 -1.91 114.38 116.68 3isa h ARG 237 Ca 0.17 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3isa h ARG 237 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3isa h ARG 237 CO 0.03 0.91 -0.06 0.82 -1.07 0.00 0.00 179.97 180.59 3isa h ILE 238 N 0.86 0.84 -0.50 2.04 2.04 -1.01 -1.82 117.51 119.96 3isa h ILE 238 Ca 0.18 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.14 3isa h ILE 238 Cb 0.40 0.84 -0.10 0.00 -0.74 0.00 0.00 36.82 37.22 3isa h ILE 238 CO 0.01 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.88 3isa h ARG 239 N -0.09 -0.08 -0.69 2.37 2.43 -0.69 0.84 114.38 118.48 3isa h ARG 239 Ca 0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3isa h ARG 239 Cb 0.14 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3isa h ARG 239 CO -0.09 -0.05 0.28 -0.44 -1.51 0.00 0.00 179.97 178.17 3isa h ASP 240 N -0.08 0.95 -0.44 -3.80 3.32 -1.18 -2.10 116.42 113.09 3isa h ASP 240 Ca 0.24 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3isa h ASP 240 Cb 0.45 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3isa h ASP 240 CO -0.56 0.86 0.19 0.22 -1.72 0.00 0.00 179.24 178.23 3isa h TYR 241 N 0.98 0.66 0.00 4.55 3.20 -0.78 -2.76 116.97 122.83 3isa h TYR 241 Ca 0.23 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3isa h TYR 241 Cb 0.20 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3isa h TYR 241 CO 0.01 0.56 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.92 3isa h LEU 242 N 0.57 0.00 0.03 2.82 3.38 -0.48 -2.56 115.31 119.07 3isa h LEU 242 Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 3isa h LEU 242 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 3isa h LEU 242 CO -0.01 0.10 -0.87 0.00 0.09 0.00 0.00 178.44 177.75 3isa h ALA 243 N 1.90 0.06 -0.00 1.53 0.00 -1.26 -3.51 119.26 117.97 3isa h ALA 243 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3isa h ALA 243 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3isa h ALA 243 CO 0.01 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.78