#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isa n ALA 6 N 0.00 2.91 -1.46 7.33 0.00 -1.26 -4.98 120.51 123.06 3isa n ALA 6 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 3isa n ALA 6 Cb 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 19.45 19.25 3isa n ALA 6 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3isa s SER 7 N -1.51 4.40 -0.57 0.00 0.01 -1.26 -5.03 113.70 109.75 3isa s SER 7 Ca 0.05 1.43 0.04 0.00 1.31 0.00 0.00 55.95 58.78 3isa s SER 7 Cb 0.06 -2.17 0.16 0.00 0.21 0.00 0.00 66.02 64.29 3isa s SER 7 CO 0.28 -2.04 0.40 -0.22 0.41 0.00 0.00 173.24 172.07 3isa s LEU 8 N -5.85 3.39 0.56 2.44 2.96 -1.26 -4.94 118.68 115.97 3isa s LEU 8 Ca 0.61 -3.41 0.35 0.00 -0.22 0.00 0.00 54.13 51.46 3isa s LEU 8 Cb -0.15 -1.16 1.58 0.00 0.50 0.00 0.00 46.19 46.96 3isa s LEU 8 CO 0.55 -0.14 2.05 1.55 -1.32 0.00 0.00 176.35 179.04 3isa h PRO 9 N 5.68 0.00 -3.90 0.98 0.13 -1.96 -3.41 132.00 129.53 3isa h PRO 9 Ca 0.16 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.81 3isa h PRO 9 Cb 0.83 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.58 3isa h PRO 9 CO 0.57 0.00 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.39 3isa s LEU 10 N -6.04 0.92 -0.11 1.56 2.96 -1.26 -0.24 118.68 116.46 3isa s LEU 10 Ca -0.00 -0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 3isa s LEU 10 Cb 0.10 -0.62 -0.05 0.00 0.50 0.00 0.00 46.19 46.12 3isa s LEU 10 CO 0.50 -0.18 0.27 0.00 -1.32 0.00 0.00 176.35 175.62 3isa s ALA 11 N 1.85 3.70 -0.17 5.97 0.00 -0.56 -4.96 121.76 127.58 3isa s ALA 11 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3isa s ALA 11 Cb -0.13 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.76 3isa s ALA 11 CO -0.07 0.34 -0.16 0.42 0.00 0.00 0.00 175.76 176.29 3isa s ILE 12 N -0.33 1.80 -0.19 0.00 1.01 -1.26 -0.33 121.20 121.91 3isa s ILE 12 Ca 0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3isa s ILE 12 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3isa s ILE 12 CO 0.06 0.43 0.25 -0.70 0.00 0.00 0.00 174.94 174.98 3isa s GLU 13 N 1.38 4.21 -0.15 2.79 2.12 0.12 -4.95 118.70 124.22 3isa s GLU 13 Ca 0.03 -0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.34 3isa s GLU 13 Cb -0.14 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 3isa s GLU 13 CO -0.11 0.18 -0.10 1.03 -0.54 0.00 0.00 175.26 175.72 3isa s ARG 14 N 0.66 3.41 0.09 4.30 0.52 -1.26 -0.89 118.95 125.78 3isa s ARG 14 Ca 0.14 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 3isa s ARG 14 Cb -0.13 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 3isa s ARG 14 CO 0.03 0.12 -0.06 1.03 0.02 0.00 0.00 175.30 176.44 3isa s ARG 15 N 0.60 0.78 0.31 3.54 1.81 -0.31 -5.02 118.95 120.67 3isa s ARG 15 Ca -0.06 -1.25 0.04 0.00 -1.72 0.00 0.00 55.73 52.74 3isa s ARG 15 Cb -0.15 -0.18 0.66 0.00 -0.45 0.00 0.00 34.95 34.82 3isa s ARG 15 CO 0.03 -0.02 1.86 -1.35 -0.68 0.00 0.00 175.30 175.14 3isa h PRO 16 N 3.18 0.85 0.00 3.54 0.11 -2.02 -2.91 132.00 134.75 3isa h PRO 16 Ca -0.35 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3isa h PRO 16 Cb 1.17 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3isa h PRO 16 CO 0.62 0.56 -1.18 0.00 -0.21 0.00 0.00 178.00 177.79 3isa n ALA 17 N -2.39 2.55 -3.45 -0.75 0.00 -1.26 -4.54 120.51 110.68 3isa n ALA 17 Ca 0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3isa n ALA 17 Cb 0.38 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.38 -1.32 -0.10 0.00 0.00 -1.10 -1.66 121.76 114.20 3isa s ALA 18 Ca -0.02 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 3isa s ALA 18 Cb 0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 3isa s ALA 18 CO 0.81 -0.26 -0.09 -1.58 0.00 0.00 0.00 175.76 174.64 3isa s TRP 19 N 0.38 2.88 -0.23 0.00 0.52 -0.45 -1.16 118.94 120.88 3isa s TRP 19 Ca -0.01 -0.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.77 3isa s TRP 19 Cb -0.04 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 3isa s TRP 19 CO -0.01 0.05 -0.02 0.99 0.02 0.00 0.00 176.95 177.99 3isa s THR 20 N -0.16 3.57 -0.42 2.01 2.01 -0.07 -0.53 115.64 122.06 3isa s THR 20 Ca 0.01 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 3isa s THR 20 Cb -0.13 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.76 3isa s THR 20 CO 0.03 0.40 0.32 -0.36 -0.69 0.00 0.00 174.62 174.32 3isa s PHE 21 N 1.51 3.24 -0.34 4.92 0.08 0.99 -0.70 117.98 127.67 3isa s PHE 21 Ca 0.06 -0.61 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 3isa s PHE 21 Cb -0.14 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.65 3isa s PHE 21 CO -0.02 -0.62 0.18 0.99 -0.10 0.00 0.00 175.22 175.66 3isa s THR 22 N 1.71 4.63 0.13 0.64 2.01 0.55 -1.72 115.64 123.59 3isa s THR 22 Ca 0.05 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 3isa s THR 22 Cb -0.19 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 3isa s THR 22 CO 0.10 -0.08 1.68 -0.76 -0.69 0.00 0.00 174.62 174.87 3isa s LEU 23 N 1.59 4.38 -0.41 4.42 1.02 0.21 -1.50 118.68 128.39 3isa s LEU 23 Ca 0.04 2.64 0.11 0.00 0.02 0.00 0.00 54.13 56.94 3isa s LEU 23 Cb -0.18 -3.58 0.39 0.00 0.02 0.00 0.00 46.19 42.84 3isa s LEU 23 CO 0.07 -0.91 0.89 -1.20 0.02 0.00 0.00 176.35 175.22 3isa n SER 24 N 4.92 2.28 -3.07 2.29 7.64 0.66 -0.16 113.62 128.19 3isa n SER 24 Ca 0.16 -3.16 -0.26 0.00 1.01 0.00 0.00 58.87 56.62 3isa n SER 24 Cb 0.39 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.03 2.79 0.24 1.43 1.74 -1.26 -4.43 116.66 117.13 3isa n ARG 25 Ca 0.24 -4.62 0.16 0.00 -0.77 0.00 0.00 57.85 52.86 3isa n ARG 25 Cb 0.65 -2.15 0.71 0.00 -1.02 0.00 0.00 32.46 30.66 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 3.24 0.00 0.00 5.56 0.13 -1.87 0.71 132.00 139.76 3isa h PRO 26 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3isa h PRO 26 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3isa h PRO 26 CO 0.78 0.00 -0.35 0.39 -0.23 0.00 0.00 178.00 178.58 3isa n GLU 27 N -2.77 0.24 -0.68 0.86 -0.58 -1.26 -3.73 120.64 112.71 3isa n GLU 27 Ca 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3isa n GLU 27 Cb 0.22 -1.70 0.20 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.08 1.83 -2.88 3.49 4.76 0.05 -4.96 118.16 118.37 3isa n LYS 28 Ca 0.04 -3.15 -0.19 0.00 -2.87 0.00 0.00 58.31 52.15 3isa n LYS 28 Cb 0.42 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.09 -3.11 -3.50 1.97 1.74 -1.08 -1.47 116.66 110.13 3isa n ARG 29 Ca 0.28 0.63 -0.26 0.00 -0.77 0.00 0.00 57.85 57.74 3isa n ARG 29 Cb 0.92 -5.33 0.01 0.00 -1.02 0.00 0.00 32.46 27.04 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 -2.12 -4.24 -4.77 0.55 3.02 -0.08 -1.16 115.26 106.46 3isa n ASN 30 Ca -0.10 -0.50 -0.36 0.00 -0.03 0.00 0.00 54.58 53.59 3isa n ASN 30 Cb 0.59 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -3.06 2.73 -0.88 5.41 0.00 -0.54 -3.96 121.76 121.45 3isa s ALA 31 Ca 0.47 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 3isa s ALA 31 Cb -0.24 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.60 3isa s ALA 31 CO 0.58 -0.81 1.16 -0.51 0.00 0.00 0.00 175.76 176.18 3isa s LEU 32 N -3.70 4.53 0.82 0.00 1.43 0.13 -4.74 118.68 117.16 3isa s LEU 32 Ca 0.72 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3isa s LEU 32 Cb -0.26 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.60 3isa s LEU 32 CO 0.29 -1.27 1.09 -0.94 0.23 0.00 0.00 176.35 175.76 3isa s SER 33 N 3.92 4.23 0.25 2.29 1.04 -1.26 -1.77 113.70 122.39 3isa s SER 33 Ca 0.33 1.41 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 3isa s SER 33 Cb -0.07 -2.13 0.41 0.00 0.10 0.00 0.00 66.02 64.33 3isa s SER 33 CO -0.04 -2.15 1.84 0.00 0.98 0.00 0.00 173.24 173.86 3isa h ALA 34 N -1.21 1.27 -0.32 5.32 0.00 -1.95 -2.05 119.26 120.32 3isa h ALA 34 Ca -0.47 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3isa h ALA 34 Cb 1.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3isa h ALA 34 CO 0.57 0.22 0.19 1.49 0.00 0.00 0.00 179.25 181.72 3isa h GLU 35 N 0.93 0.44 -0.60 0.00 4.81 -1.99 -1.27 114.58 116.89 3isa h GLU 35 Ca 0.41 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3isa h GLU 35 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3isa h GLU 35 CO -0.22 0.34 0.31 1.25 -0.73 0.00 0.00 179.01 179.95 3isa h LEU 36 N 0.41 0.78 -0.51 1.64 5.85 -1.85 -0.61 115.31 121.02 3isa h LEU 36 Ca 0.11 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3isa h LEU 36 Cb 0.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3isa h LEU 36 CO -0.02 0.67 0.31 0.58 -0.34 0.00 0.00 178.44 179.64 3isa h VAL 37 N 0.82 1.06 -0.55 1.05 2.07 -1.23 -0.21 116.25 119.27 3isa h VAL 37 Ca 0.21 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3isa h VAL 37 Cb 0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3isa h VAL 37 CO -0.03 0.11 -0.02 -0.33 0.02 0.00 0.00 177.57 177.32 3isa h GLU 38 N 0.62 0.97 -0.43 1.57 4.39 -0.98 -0.35 114.58 120.36 3isa h GLU 38 Ca 0.20 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3isa h GLU 38 Cb 0.01 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3isa h GLU 38 CO -0.08 0.97 0.25 0.00 -1.16 0.00 0.00 179.01 178.98 3isa h ALA 39 N 1.08 0.55 -0.51 3.43 0.00 -0.69 -0.59 119.26 122.53 3isa h ALA 39 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3isa h ALA 39 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3isa h ALA 39 CO 0.03 -0.08 0.27 -0.07 0.00 0.00 0.00 179.25 179.40 3isa h LEU 40 N 0.50 0.64 -0.21 0.00 3.38 -0.71 -0.83 115.31 118.08 3isa h LEU 40 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3isa h LEU 40 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3isa h LEU 40 CO -0.09 0.56 0.14 0.40 0.09 0.00 0.00 178.44 179.53 3isa h ILE 41 N 0.68 1.06 -0.69 1.22 2.04 -0.82 -0.81 117.51 120.19 3isa h ILE 41 Ca 0.18 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3isa h ILE 41 Cb 0.06 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3isa h ILE 41 CO -0.03 0.06 0.40 0.44 0.00 0.00 0.00 178.15 179.03 3isa h ASP 42 N 0.27 0.63 -0.34 1.72 3.32 -1.00 -0.63 116.42 120.39 3isa h ASP 42 Ca 0.08 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3isa h ASP 42 Cb -0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3isa h ASP 42 CO -0.02 0.42 -0.25 1.23 -1.72 0.00 0.00 179.24 178.90 3isa h GLY 43 N 0.76 0.84 1.37 2.75 0.00 -0.85 -1.42 103.07 106.52 3isa h GLY 43 Ca 0.30 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3isa h GLY 43 CO -0.15 0.73 -0.40 -2.08 0.00 0.00 0.00 176.54 174.64 3isa h VAL 44 N 0.55 1.29 -0.55 4.60 2.07 -1.03 -0.74 116.25 122.44 3isa h VAL 44 Ca 0.07 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 3isa h VAL 44 Cb 0.81 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3isa h VAL 44 CO 0.07 0.50 0.12 0.44 0.02 0.00 0.00 177.57 178.72 3isa h ASP 45 N 0.57 0.85 -0.41 0.57 3.32 -1.02 -1.63 116.42 118.67 3isa h ASP 45 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3isa h ASP 45 Cb 0.93 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3isa h ASP 45 CO 0.08 0.87 0.21 0.00 -1.72 0.00 0.00 179.24 178.69 3isa h ALA 46 N 1.01 0.53 -0.97 3.45 0.00 -1.06 -1.62 119.26 120.60 3isa h ALA 46 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3isa h ALA 46 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3isa h ALA 46 CO 0.00 0.07 0.64 0.00 0.00 0.00 0.00 179.25 179.96 3isa h ALA 47 N 1.06 1.34 -0.28 0.00 0.00 -0.97 -0.75 119.26 119.67 3isa h ALA 47 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3isa h ALA 47 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3isa h ALA 47 CO -0.02 0.59 -0.02 0.45 0.00 0.00 0.00 179.25 180.25 3isa h HIS 48 N 1.27 0.55 -0.64 0.00 -0.00 -1.03 -0.53 115.15 114.78 3isa h HIS 48 Ca 0.37 -0.10 0.03 0.00 -0.00 0.00 0.00 60.37 60.66 3isa h HIS 48 Cb -0.08 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 3isa h HIS 48 CO -0.00 0.67 0.42 0.00 -0.00 0.00 0.00 177.93 179.02 3isa h ARG 49 N 0.28 0.76 -0.17 2.45 3.08 -0.98 -2.50 114.38 117.30 3isa h ARG 49 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3isa h ARG 49 Cb 0.46 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3isa h ARG 49 CO 0.02 0.50 0.00 0.39 -1.07 0.00 0.00 179.97 179.81 3isa n GLU 50 N -4.46 1.86 -3.98 0.04 1.02 -0.32 -4.95 120.64 109.86 3isa n GLU 50 Ca 0.08 -1.28 -0.30 0.00 -0.02 0.00 0.00 57.16 55.64 3isa n GLU 50 Cb 0.11 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 3isa n GLU 50 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3isa n GLN 51 N 0.51 -4.48 -1.84 3.49 6.02 -0.27 -4.91 117.38 115.90 3isa n GLN 51 Ca 0.17 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.25 3isa n GLN 51 Cb 0.38 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.42 3isa n GLN 51 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3isa s VAL 52 N -3.45 2.96 0.21 5.09 1.01 -0.80 -4.92 120.40 120.50 3isa s VAL 52 Ca 0.50 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 3isa s VAL 52 Cb -0.26 -3.21 0.14 0.00 0.00 0.00 0.00 36.38 33.06 3isa s VAL 52 CO 0.86 -0.01 1.79 -0.65 0.00 0.00 0.00 175.10 177.10 3isa h PRO 53 N 8.91 0.60 -4.36 2.72 0.11 -1.80 -3.40 132.00 134.78 3isa h PRO 53 Ca -0.44 -0.04 -0.47 0.00 0.11 0.00 0.00 66.00 65.16 3isa h PRO 53 Cb 1.21 -0.14 -0.33 0.00 0.11 0.00 0.00 31.00 31.85 3isa h PRO 53 CO 0.94 0.40 -0.80 -1.17 -0.21 0.00 0.00 178.00 177.16 3isa s LEU 54 N -10.28 1.55 -0.19 2.35 2.96 -0.66 -0.40 118.68 114.00 3isa s LEU 54 Ca -0.13 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3isa s LEU 54 Cb 0.16 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3isa s LEU 54 CO 0.75 0.01 -0.01 -0.76 -1.32 0.00 0.00 176.35 175.02 3isa s LEU 55 N 0.70 3.23 -0.14 -0.68 1.43 0.08 -1.34 118.68 121.94 3isa s LEU 55 Ca -0.12 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3isa s LEU 55 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3isa s LEU 55 CO 0.02 0.08 0.00 -0.69 0.23 0.00 0.00 176.35 175.99 3isa s VAL 56 N 0.92 4.26 -0.12 -1.59 1.01 0.31 -0.44 120.40 124.75 3isa s VAL 56 Ca 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3isa s VAL 56 Cb -0.14 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 3isa s VAL 56 CO 0.02 0.51 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 3isa s PHE 57 N 0.04 2.67 0.16 5.22 0.08 0.10 -0.01 117.98 126.24 3isa s PHE 57 Ca 0.02 -0.99 -0.07 0.00 0.12 0.00 0.00 56.93 56.01 3isa s PHE 57 Cb -0.13 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3isa s PHE 57 CO 0.02 -0.41 0.25 0.00 -0.10 0.00 0.00 175.22 174.98 3isa s ALA 58 N 0.48 0.21 -0.03 5.36 0.00 -0.70 -1.37 121.76 125.70 3isa s ALA 58 Ca -0.13 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.86 3isa s ALA 58 Cb -0.17 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 3isa s ALA 58 CO 0.05 -0.63 -0.26 0.20 0.00 0.00 0.00 175.76 175.13 3isa s GLY 59 N -3.00 1.28 0.67 0.00 0.00 -1.26 -0.62 107.32 104.40 3isa s GLY 59 Ca 0.20 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 3isa s GLY 59 CO 0.01 -0.82 1.10 0.00 0.00 0.00 0.00 173.10 173.40 3isa s ALA 60 N -0.44 2.47 0.00 3.20 0.00 0.78 -4.74 121.76 123.03 3isa s ALA 60 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3isa s ALA 60 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3isa s ALA 60 CO 0.01 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.86 3isa n GLY 61 N -0.76 0.26 0.02 0.00 0.00 -1.26 -4.16 105.19 99.28 3isa n GLY 61 Ca 0.10 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 10.77 0.08 -3.42 1.61 1.74 -1.26 -4.98 116.66 121.19 3isa n ARG 62 Ca 0.00 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 3isa n ARG 62 Cb 0.00 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 3isa n ARG 62 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3isa n ASN 63 N -1.67 -0.93 -0.03 0.55 6.94 -1.26 -3.35 115.26 115.52 3isa n ASN 63 Ca 0.05 -2.45 -0.01 0.00 -0.02 0.00 0.00 54.58 52.15 3isa n ASN 63 Cb 0.36 1.79 -0.00 0.00 -2.36 0.00 0.00 39.78 39.57 3isa n ASN 63 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3isa h PHE 64 N 1.76 0.00 -1.74 -2.53 3.57 -1.77 -3.37 116.94 112.87 3isa h PHE 64 Ca -0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.33 3isa h PHE 64 Cb 0.89 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.39 3isa h PHE 64 CO 0.00 0.00 0.35 0.45 -2.23 0.00 0.00 178.31 176.88 3isa s SER 65 N -4.31 -0.54 0.00 0.41 0.15 -1.26 -4.34 113.70 103.81 3isa s SER 65 Ca -0.03 0.98 0.11 0.00 0.70 0.00 0.00 55.95 57.70 3isa s SER 65 Cb 0.00 0.96 0.38 0.00 -1.71 0.00 0.00 66.02 65.66 3isa s SER 65 CO 0.05 -0.23 1.29 0.00 1.20 0.00 0.00 173.24 175.54 3isa n ALA 66 N 2.09 2.49 -0.27 5.45 0.00 -0.31 -2.08 120.51 127.88 3isa n ALA 66 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3isa n ALA 66 Cb 0.56 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.91 -0.41 3.60 0.00 0.00 -0.98 -4.41 105.19 103.90 3isa n GLY 67 Ca 0.10 -1.08 -0.53 0.00 0.00 0.00 0.00 46.02 44.51 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 1.50 -2.53 1.61 7.35 -1.26 0.20 117.46 124.33 3isa n PHE 68 Ca 0.00 0.67 -0.43 0.00 -0.76 0.00 0.00 57.45 56.93 3isa n PHE 68 Cb 0.00 -2.32 -0.02 0.00 0.35 0.00 0.00 39.48 37.49 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 0.79 6.57 0.00 -2.13 -1.08 -0.73 -4.62 116.67 115.48 3isa s ASP 69 Ca 0.87 0.62 0.28 0.00 -0.52 0.00 0.00 52.55 53.80 3isa s ASP 69 Cb -1.00 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 39.03 3isa s ASP 69 CO 0.50 -1.27 1.78 0.49 0.52 0.00 0.00 175.17 177.19 3isa n PHE 70 N 8.04 0.00 -1.68 -5.34 3.72 -1.26 -4.82 117.46 116.12 3isa n PHE 70 Ca 0.13 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 57.05 3isa n PHE 70 Cb 0.49 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.19 0.37 -3.02 4.37 -1.04 -1.26 -1.76 114.28 111.74 3isa n THR 71 Ca 0.18 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.05 61.90 3isa n THR 71 Cb 0.32 -1.72 0.03 0.00 -1.82 0.00 0.00 70.33 67.14 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 5.46 -5.76 0.20 8.00 8.00 -1.26 -4.87 116.55 126.32 3isa n ASP 72 Ca 0.21 -0.28 0.06 0.00 0.71 0.00 0.00 54.79 55.49 3isa n ASP 72 Cb 0.28 -4.67 0.41 0.00 -0.02 0.00 0.00 41.12 37.12 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 -1.23 0.00 -0.02 1.24 -0.00 -1.66 -3.03 116.97 112.28 3isa h TYR 73 Ca -0.51 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.22 3isa h TYR 73 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.08 3isa h TYR 73 CO 0.56 0.34 0.01 0.93 -0.00 0.00 0.00 178.16 180.00 3isa h GLU 74 N 0.00 0.00 -0.02 0.10 4.39 -1.89 -2.16 114.58 114.99 3isa h GLU 74 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3isa h GLU 74 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3isa h GLU 74 CO 0.04 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.14 3isa n THR 75 N -4.52 0.00 -4.11 1.13 -2.24 -1.14 -4.86 114.28 98.54 3isa n THR 75 Ca -0.03 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.09 3isa n THR 75 Cb 0.11 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.00 3.12 0.86 -0.78 -0.21 -0.81 -5.11 119.66 114.74 3isa s GLN 76 Ca 0.35 -0.41 -0.12 0.00 0.02 0.00 0.00 55.36 55.20 3isa s GLN 76 Cb 0.21 -2.90 0.11 0.00 1.00 0.00 0.00 33.01 31.42 3isa s GLN 76 CO 0.32 0.68 1.11 -1.54 -2.12 0.00 0.00 175.29 173.74 3isa s SER 77 N -1.48 3.87 0.24 5.90 1.04 -1.26 -4.85 113.70 117.16 3isa s SER 77 Ca 0.20 1.24 -0.06 0.00 0.48 0.00 0.00 55.95 57.82 3isa s SER 77 Cb -0.12 -1.92 0.42 0.00 0.10 0.00 0.00 66.02 64.50 3isa s SER 77 CO 0.10 -2.36 1.72 -0.33 0.98 0.00 0.00 173.24 173.35 3isa h GLU 78 N -1.36 0.36 -0.66 4.02 5.08 -1.99 -1.85 114.58 118.18 3isa h GLU 78 Ca -0.49 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3isa h GLU 78 Cb 1.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3isa h GLU 78 CO 0.59 0.24 0.41 0.78 -1.00 0.00 0.00 179.01 180.03 3isa h GLY 79 N 0.37 0.96 1.01 -3.84 0.00 -1.95 -1.59 103.07 98.03 3isa h GLY 79 Ca 0.39 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3isa h GLY 79 CO -0.42 0.38 0.50 -0.55 0.00 0.00 0.00 176.54 176.45 3isa h ASP 80 N 0.90 0.95 -0.51 0.19 3.32 -1.74 -0.25 116.42 119.27 3isa h ASP 80 Ca 0.24 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3isa h ASP 80 Cb -0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3isa h ASP 80 CO -0.05 0.72 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.04 3isa h LEU 81 N 1.09 0.95 -0.08 1.55 3.38 -1.17 -2.13 115.31 118.90 3isa h LEU 81 Ca 0.29 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3isa h LEU 81 Cb -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 3isa h LEU 81 CO -0.06 1.07 0.05 0.25 0.09 0.00 0.00 178.44 179.84 3isa h LEU 82 N 0.82 0.10 -0.44 1.67 5.85 -0.89 -1.89 115.31 120.52 3isa h LEU 82 Ca 0.13 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3isa h LEU 82 Cb 0.63 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 3isa h LEU 82 CO 0.04 0.11 -0.01 0.25 -0.34 0.00 0.00 178.44 178.49 3isa h LEU 83 N 0.08 -0.21 -1.05 2.25 5.85 -0.99 0.48 115.31 121.71 3isa h LEU 83 Ca 0.03 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3isa h LEU 83 Cb 0.03 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3isa h LEU 83 CO -0.01 -0.07 0.39 0.03 -0.34 0.00 0.00 178.44 178.45 3isa h ARG 84 N 0.10 1.06 -0.43 1.25 3.08 -1.19 -0.47 114.38 117.78 3isa h ARG 84 Ca 0.22 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3isa h ARG 84 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3isa h ARG 84 CO -0.38 0.79 -0.29 0.52 -1.07 0.00 0.00 179.97 179.55 3isa h MET 85 N 1.06 0.93 -0.49 0.04 2.86 -0.73 -1.61 114.93 117.00 3isa h MET 85 Ca 0.27 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3isa h MET 85 Cb 0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3isa h MET 85 CO -0.04 1.09 0.24 0.28 1.06 0.00 0.00 176.91 179.54 3isa h VAL 86 N 0.79 1.19 -0.74 -2.22 2.07 -0.54 -1.00 116.25 115.80 3isa h VAL 86 Ca 0.09 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3isa h VAL 86 Cb 0.87 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3isa h VAL 86 CO 0.08 0.21 0.37 0.03 0.02 0.00 0.00 177.57 178.28 3isa h ARG 87 N 0.65 1.05 -0.16 1.57 2.47 -0.99 -0.33 114.38 118.64 3isa h ARG 87 Ca 0.17 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3isa h ARG 87 Cb 0.12 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3isa h ARG 87 CO -0.02 0.79 0.07 0.82 0.56 0.00 0.00 179.97 182.19 3isa h ILE 88 N 1.05 1.14 -0.87 2.04 2.04 -0.86 -0.29 117.51 121.76 3isa h ILE 88 Ca 0.26 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3isa h ILE 88 Cb 0.08 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3isa h ILE 88 CO -0.04 0.13 0.57 -0.08 0.00 0.00 0.00 178.15 178.74 3isa h GLU 89 N 0.11 1.13 -0.79 2.37 4.57 -0.91 0.59 114.58 121.64 3isa h GLU 89 Ca 0.05 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3isa h GLU 89 Cb 0.14 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3isa h GLU 89 CO -0.01 0.75 0.49 0.52 -1.18 0.00 0.00 179.01 179.58 3isa h MET 90 N 1.16 1.07 0.04 1.92 2.86 -0.82 -0.58 114.93 120.59 3isa h MET 90 Ca 0.33 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3isa h MET 90 Cb -0.10 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.33 3isa h MET 90 CO -0.08 0.75 -0.02 1.25 1.06 0.00 0.00 176.91 179.87 3isa h LEU 91 N 1.09 -0.05 -1.10 1.22 5.85 -0.28 -1.84 115.31 120.20 3isa h LEU 91 Ca 0.29 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3isa h LEU 91 Cb -0.06 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 3isa h LEU 91 CO -0.06 -0.03 0.61 -0.07 -0.34 0.00 0.00 178.44 178.56 3isa h LEU 92 N -0.07 0.99 -0.61 2.25 3.38 -0.52 -1.36 115.31 119.37 3isa h LEU 92 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3isa h LEU 92 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3isa h LEU 92 CO 0.01 0.67 -0.17 1.56 0.09 0.00 0.00 178.44 180.60 3isa h GLN 93 N 1.14 0.93 -0.60 1.13 4.20 -0.92 0.87 115.11 121.86 3isa h GLN 93 Ca 0.38 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3isa h GLN 93 Cb 0.07 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3isa h GLN 93 CO -0.13 1.02 0.25 0.00 -0.67 0.00 0.00 178.83 179.30 3isa h ARG 94 N 0.82 0.89 0.17 1.46 3.08 -0.67 -0.41 114.38 119.72 3isa h ARG 94 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3isa h ARG 94 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3isa h ARG 94 CO 0.05 0.75 -0.08 0.28 -1.07 0.00 0.00 179.97 179.91 3isa h VAL 95 N 0.83 0.96 -0.97 2.04 2.07 -1.17 -2.84 116.25 117.17 3isa h VAL 95 Ca 0.20 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.13 3isa h VAL 95 Cb 0.18 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3isa h VAL 95 CO -0.02 0.16 0.60 0.00 0.02 0.00 0.00 177.57 178.33 3isa h ALA 96 N 0.18 1.42 -0.40 1.67 0.00 -0.74 -2.20 119.26 119.19 3isa h ALA 96 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 96 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3isa h ALA 96 CO 0.04 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3isa n GLY 97 N -1.35 2.40 3.75 0.00 0.00 -0.17 -5.00 105.19 104.83 3isa n GLY 97 Ca 0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3isa n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3isa s SER 98 N -0.57 6.74 0.57 1.61 0.15 -0.83 -4.91 113.70 116.46 3isa s SER 98 Ca 0.37 2.63 0.34 0.00 0.70 0.00 0.00 55.95 59.99 3isa s SER 98 Cb 0.27 -2.63 1.68 0.00 -1.71 0.00 0.00 66.02 63.63 3isa s SER 98 CO 0.12 -0.61 2.12 -0.65 1.20 0.00 0.00 173.24 175.42 3isa h PRO 99 N 4.41 0.00 -7.07 5.44 0.11 -1.90 -3.44 132.00 129.54 3isa h PRO 99 Ca -0.47 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.17 3isa h PRO 99 Cb 1.22 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.36 3isa h PRO 99 CO 0.73 0.05 0.39 -1.12 -0.21 0.00 0.00 178.00 177.84 3isa s SER 100 N -5.74 6.27 0.45 -2.05 0.01 -1.26 -4.20 113.70 107.17 3isa s SER 100 Ca -0.02 1.97 -0.25 0.00 1.31 0.00 0.00 55.95 58.96 3isa s SER 100 Cb 0.12 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 3isa s SER 100 CO 0.53 -0.83 1.30 -0.22 0.41 0.00 0.00 173.24 174.42 3isa s LEU 101 N -3.50 4.10 -0.02 2.44 2.96 0.46 -4.88 118.68 120.23 3isa s LEU 101 Ca 0.68 2.64 0.05 0.00 -0.22 0.00 0.00 54.13 57.28 3isa s LEU 101 Cb -0.17 -4.04 -0.01 0.00 0.50 0.00 0.00 46.19 42.47 3isa s LEU 101 CO 0.21 -1.03 -0.19 0.42 -1.32 0.00 0.00 176.35 174.44 3isa s THR 102 N -1.31 1.51 -0.05 3.68 -4.23 -1.26 -0.74 115.64 113.24 3isa s THR 102 Ca 0.61 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 3isa s THR 102 Cb -0.37 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.21 3isa s THR 102 CO 0.47 0.43 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.69 3isa s LEU 103 N -0.30 1.46 -0.04 4.79 2.96 0.42 -1.19 118.68 126.78 3isa s LEU 103 Ca 0.04 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3isa s LEU 103 Cb -0.09 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 3isa s LEU 103 CO 0.00 -0.02 -0.20 0.00 -1.32 0.00 0.00 176.35 174.81 3isa s ALA 104 N 0.79 1.73 -0.23 5.97 0.00 -0.04 0.02 121.76 130.00 3isa s ALA 104 Ca -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3isa s ALA 104 Cb -0.15 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.51 3isa s ALA 104 CO 0.01 0.36 -0.07 -0.51 0.00 0.00 0.00 175.76 175.56 3isa s LEU 105 N -0.19 2.62 0.14 0.00 1.43 -0.47 -1.49 118.68 120.71 3isa s LEU 105 Ca 0.00 -1.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.01 3isa s LEU 105 Cb -0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 3isa s LEU 105 CO 0.01 -0.22 -0.00 0.00 0.23 0.00 0.00 176.35 176.37 3isa s ALA 106 N 1.37 3.22 0.26 4.21 0.00 -0.25 -4.42 121.76 126.15 3isa s ALA 106 Ca -0.06 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 3isa s ALA 106 Cb -0.19 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3isa s ALA 106 CO -0.06 0.57 0.39 -3.38 0.00 0.00 0.00 175.76 173.28 3isa s HIS 107 N -1.53 0.71 0.00 0.00 -3.43 -1.26 -1.72 115.29 108.06 3isa s HIS 107 Ca 0.26 -1.01 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 3isa s HIS 107 Cb -0.10 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 3isa s HIS 107 CO 0.18 -0.93 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 3isa n GLY 108 N -0.39 0.72 3.63 -1.38 0.00 -1.21 -2.48 105.19 104.06 3isa n GLY 108 Ca -0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 4.04 0.05 1.61 0.52 -1.26 -1.20 118.95 122.71 3isa s ARG 109 Ca 0.00 -0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.22 3isa s ARG 109 Cb 0.00 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 3isa s ARG 109 CO 0.00 -0.14 -0.26 -0.80 0.02 0.00 0.00 175.30 174.12 3isa s ASN 110 N 1.43 3.18 0.01 0.23 0.01 0.01 -4.63 114.94 115.19 3isa s ASN 110 Ca 0.12 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 3isa s ASN 110 Cb -0.15 -0.28 -0.01 0.00 0.41 0.00 0.00 41.25 41.22 3isa s ASN 110 CO 0.09 0.25 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.53 3isa s PHE 111 N -0.83 0.37 0.00 2.20 0.08 -0.88 -1.51 117.98 117.41 3isa s PHE 111 Ca 0.12 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.90 3isa s PHE 111 Cb -0.10 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3isa s PHE 111 CO 0.02 -0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 3isa n GLY 112 N 2.30 3.73 0.31 4.36 0.00 0.09 -1.23 105.19 114.75 3isa n GLY 112 Ca -0.18 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.91 1.26 -0.37 4.61 0.00 -1.90 -1.02 119.26 120.93 3isa h ALA 113 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3isa h ALA 113 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3isa h ALA 113 CO 0.00 0.01 -0.00 0.78 0.00 0.00 0.00 179.25 180.04 3isa h GLY 114 N 0.10 0.70 1.29 0.00 0.00 -1.38 0.17 103.07 103.96 3isa h GLY 114 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3isa h GLY 114 CO 0.00 0.48 0.05 -2.08 0.00 0.00 0.00 176.54 174.99 3isa h VAL 115 N 0.47 1.24 -0.51 4.60 2.07 -1.21 -2.30 116.25 120.60 3isa h VAL 115 Ca 0.10 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 3isa h VAL 115 Cb 0.47 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3isa h VAL 115 CO 0.02 0.35 -0.13 0.44 0.02 0.00 0.00 177.57 178.28 3isa h ASP 116 N 0.82 0.98 -0.49 0.57 3.32 -0.99 0.29 116.42 120.92 3isa h ASP 116 Ca 0.16 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3isa h ASP 116 Cb 0.42 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3isa h ASP 116 CO 0.01 1.10 0.32 0.25 -1.72 0.00 0.00 179.24 179.21 3isa h LEU 117 N 0.87 0.57 -0.32 1.55 5.85 -0.59 0.13 115.31 123.36 3isa h LEU 117 Ca 0.13 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3isa h LEU 117 Cb 0.68 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3isa h LEU 117 CO 0.05 0.42 0.00 0.15 -0.34 0.00 0.00 178.44 178.73 3isa h PHE 118 N 0.66 -0.01 0.00 1.25 3.57 -1.16 -2.69 116.94 118.56 3isa h PHE 118 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3isa h PHE 118 Cb -0.06 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3isa h PHE 118 CO -0.04 -0.05 -0.24 0.00 -2.23 0.00 0.00 178.31 175.75 3isa h ALA 119 N 1.27 1.57 0.00 2.41 0.00 -0.34 -2.35 119.26 121.82 3isa h ALA 119 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3isa h ALA 119 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3isa h ALA 119 CO -0.25 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.20 3isa h ALA 120 N 1.76 1.07 -2.48 0.00 0.00 -0.42 -3.43 119.26 115.75 3isa h ALA 120 Ca -0.00 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.34 3isa h ALA 120 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3isa h ALA 120 CO 0.03 0.13 0.35 0.00 0.00 0.00 0.00 179.25 179.76 3isa h LYS 122 N 3.26 0.39 -5.17 0.00 1.79 -1.72 -3.43 116.57 111.69 3isa h LYS 122 Ca -0.47 -0.45 -0.62 0.00 -2.18 0.00 0.00 60.65 56.93 3isa h LYS 122 Cb 1.19 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 31.81 3isa h LYS 122 CO 0.65 1.13 -0.57 -1.58 -1.08 0.00 0.00 179.45 178.00 3isa s TRP 123 N -3.05 3.22 -0.05 -1.35 0.52 -0.33 -5.03 118.94 112.86 3isa s TRP 123 Ca -0.13 -0.01 0.01 0.00 0.02 0.00 0.00 56.10 55.98 3isa s TRP 123 Cb 0.03 -2.15 0.02 0.00 -1.15 0.00 0.00 33.47 30.22 3isa s TRP 123 CO 0.82 0.02 -0.05 1.03 0.02 0.00 0.00 176.95 178.79 3isa s ARG 124 N 0.79 0.97 0.07 4.98 0.52 -1.26 -0.86 118.95 124.16 3isa s ARG 124 Ca 0.04 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3isa s ARG 124 Cb -0.13 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 3isa s ARG 124 CO 0.02 -0.10 -0.09 0.71 0.02 0.00 0.00 175.30 175.86 3isa s TYR 125 N 1.03 0.89 0.08 -0.53 2.02 -0.55 -0.42 117.35 119.87 3isa s TYR 125 Ca -0.09 -0.61 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 3isa s TYR 125 Cb -0.14 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 3isa s TYR 125 CO -0.00 -0.05 0.04 0.00 -1.57 0.00 0.00 175.55 173.97 3isa s THR 127 N -3.95 2.74 0.59 0.00 -4.23 -0.70 0.14 115.64 110.24 3isa s THR 127 Ca 0.12 0.44 0.29 0.00 -1.18 0.00 0.00 61.69 61.36 3isa s THR 127 Cb 0.07 -3.15 0.38 0.00 1.34 0.00 0.00 72.50 71.14 3isa s THR 127 CO -0.06 -0.11 1.88 -0.65 -0.54 0.00 0.00 174.62 175.13 3isa h PRO 128 N 0.81 0.00 -0.22 3.99 0.11 -1.86 -1.66 132.00 133.17 3isa h PRO 128 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3isa h PRO 128 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3isa h PRO 128 CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3isa n GLU 129 N -3.65 2.31 -1.94 1.05 4.71 -1.26 -4.52 120.64 117.34 3isa n GLU 129 Ca 0.08 -1.95 -0.34 0.00 -0.01 0.00 0.00 57.16 54.94 3isa n GLU 129 Cb 0.67 -1.48 0.03 0.00 -1.01 0.00 0.00 31.44 29.65 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 -1.73 2.52 0.06 0.62 0.00 -0.62 -4.64 121.76 117.97 3isa s ALA 130 Ca 0.35 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3isa s ALA 130 Cb 0.21 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3isa s ALA 130 CO 0.31 -1.15 -0.08 0.20 0.00 0.00 0.00 175.76 175.04 3isa s GLY 131 N -2.04 0.59 0.04 0.00 0.00 -0.34 -2.37 107.32 103.20 3isa s GLY 131 Ca 0.72 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 44.54 3isa s GLY 131 CO 0.35 -0.99 -0.08 -1.36 0.00 0.00 0.00 173.10 171.02 3isa s PHE 132 N -1.95 0.72 -0.23 1.90 0.08 -0.48 -0.81 117.98 117.21 3isa s PHE 132 Ca -0.04 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 3isa s PHE 132 Cb -0.06 -0.43 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 3isa s PHE 132 CO -0.01 -0.06 0.58 0.50 -0.10 0.00 0.00 175.22 176.14 3isa s ARG 133 N -1.39 0.61 -0.59 0.44 3.52 -0.57 -0.87 118.95 120.12 3isa s ARG 133 Ca -0.07 0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 56.49 3isa s ARG 133 Cb -0.09 0.15 0.15 0.00 -1.56 0.00 0.00 34.95 33.60 3isa s ARG 133 CO 0.01 -0.13 0.39 -1.64 -0.81 0.00 0.00 175.30 173.11 3isa s MET 134 N 1.20 2.43 0.00 5.12 -1.94 -1.26 -0.73 119.30 124.11 3isa s MET 134 Ca -0.07 -2.45 0.26 0.00 -1.71 0.00 0.00 55.69 51.73 3isa s MET 134 Cb -0.06 -3.67 0.75 0.00 2.01 0.00 0.00 34.83 33.86 3isa s MET 134 CO -0.12 -1.15 1.56 -0.35 -0.01 0.00 0.00 175.02 174.95 3isa n PRO 135 N 3.59 1.24 0.11 2.03 -0.04 -1.26 -4.57 135.00 136.10 3isa n PRO 135 Ca 0.06 -0.78 0.18 0.00 -0.04 0.00 0.00 63.50 62.92 3isa n PRO 135 Cb 0.38 -1.48 0.75 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.00 2.00 0.55 0.00 -1.93 -0.07 103.07 108.51 3isa h GLY 136 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3isa h GLY 136 CO 0.00 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 3isa h LEU 137 N 0.00 0.00 -1.62 3.11 3.38 -1.80 -0.29 115.31 118.09 3isa h LEU 137 Ca 0.16 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.36 3isa h LEU 137 Cb 0.78 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3isa h LEU 137 CO -0.00 0.06 0.62 0.11 0.09 0.00 0.00 178.44 179.32 3isa h LYS 138 N 0.00 0.29 -0.27 1.13 1.79 -1.34 -0.64 116.57 117.53 3isa h LYS 138 Ca -0.00 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3isa h LYS 138 Cb 0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3isa h LYS 138 CO 0.01 0.19 -0.00 1.97 -1.08 0.00 0.00 179.45 180.53 3isa n PHE 139 N -4.46 0.94 -0.71 -1.35 1.16 -0.47 -4.90 117.46 107.68 3isa n PHE 139 Ca 0.20 -1.01 0.00 0.00 -1.87 0.00 0.00 57.45 54.77 3isa n PHE 139 Cb 0.80 -0.34 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 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 -0.67 0.80 3.72 4.97 0.00 -0.25 -4.73 105.19 109.04 3isa n GLY 140 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 4.39 -0.60 0.99 2.96 -0.24 -4.72 118.68 121.45 3isa s LEU 141 Ca 0.00 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3isa s LEU 141 Cb 0.00 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.26 3isa s LEU 141 CO 0.00 -0.45 0.39 -0.69 -1.32 0.00 0.00 176.35 174.28 3isa s VAL 142 N 0.82 3.28 -0.09 1.68 1.01 -1.26 -3.30 120.40 122.55 3isa s VAL 142 Ca 0.58 -3.21 -0.00 0.00 0.00 0.00 0.00 61.98 59.35 3isa s VAL 142 Cb -0.30 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 32.92 3isa s VAL 142 CO 0.31 -0.86 -0.06 -0.22 0.00 0.00 0.00 175.10 174.26 3isa s LEU 143 N -0.29 1.10 0.00 3.92 2.96 -1.26 -3.40 118.68 121.72 3isa s LEU 143 Ca 0.18 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3isa s LEU 143 Cb -0.21 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3isa s LEU 143 CO -0.03 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 3isa n GLY 144 N 4.75 0.78 0.41 7.98 0.00 -1.26 -4.94 105.19 112.91 3isa n GLY 144 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.17 -0.50 2.61 2.02 -1.98 -1.10 112.91 114.13 3isa h THR 145 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3isa h THR 145 Cb 0.03 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3isa h THR 145 CO 0.00 0.00 -0.06 0.03 0.37 0.00 0.00 175.52 175.86 3isa h ARG 146 N -0.69 0.88 -0.75 6.66 3.08 -1.98 -1.88 114.38 119.70 3isa h ARG 146 Ca 0.01 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 3isa h ARG 146 Cb 0.69 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3isa h ARG 146 CO -0.20 0.92 0.35 0.00 -1.07 0.00 0.00 179.97 179.97 3isa h ARG 147 N 0.80 1.09 -0.24 0.04 3.08 -1.93 -0.71 114.38 116.51 3isa h ARG 147 Ca 0.14 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3isa h ARG 147 Cb 0.57 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3isa h ARG 147 CO 0.03 0.86 0.09 0.35 -1.07 0.00 0.00 179.97 180.23 3isa h PHE 148 N 1.06 0.37 -0.55 3.04 3.57 -1.00 -2.75 116.94 120.68 3isa h PHE 148 Ca 0.26 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.82 3isa h PHE 148 Cb 0.14 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 3isa h PHE 148 CO 0.01 0.40 0.12 -0.09 -2.23 0.00 0.00 178.31 176.52 3isa h ARG 149 N 0.24 0.26 -0.23 1.11 2.43 -1.13 -1.47 114.38 115.58 3isa h ARG 149 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3isa h ARG 149 Cb 0.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3isa h ARG 149 CO -0.01 0.17 0.15 -0.44 -1.51 0.00 0.00 179.97 178.34 3isa h ASP 150 N 0.26 0.26 0.20 -3.80 3.32 -0.94 0.33 116.42 116.06 3isa h ASP 150 Ca 0.28 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 3isa h ASP 150 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3isa h ASP 150 CO -0.35 0.19 -0.10 0.40 -1.72 0.00 0.00 179.24 177.65 3isa h ILE 151 N 0.30 0.32 0.00 0.35 2.04 -1.12 -3.40 117.51 116.00 3isa h ILE 151 Ca 0.08 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3isa h ILE 151 Cb -0.02 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3isa h ILE 151 CO -0.02 0.09 -0.88 1.33 0.00 0.00 0.00 178.15 178.67 3isa n VAL 152 N -4.95 0.02 0.00 1.67 0.24 -0.61 -4.89 118.33 109.81 3isa n VAL 152 Ca -0.05 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3isa n VAL 152 Cb 0.18 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.48 0.74 0.36 7.63 0.00 0.12 -4.35 105.19 111.15 3isa n GLY 153 Ca 0.04 -1.64 0.01 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 1.46 0.79 4.61 0.00 -1.95 -0.74 119.26 123.43 3isa h ALA 154 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3isa h ALA 154 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3isa h ALA 154 CO 0.00 0.48 -0.49 0.22 0.00 0.00 0.00 179.25 179.46 3isa h ASP 155 N 1.05 -1.23 -0.17 0.00 1.82 -1.95 -0.39 116.42 115.56 3isa h ASP 155 Ca 0.31 0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.94 3isa h ASP 155 Cb -0.05 0.36 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 3isa h ASP 155 CO -0.08 -0.75 -0.12 1.56 -1.61 0.00 0.00 179.24 178.24 3isa h GLN 156 N -1.19 0.55 -0.48 0.28 1.08 -1.72 -1.69 115.11 111.93 3isa h GLN 156 Ca -0.11 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3isa h GLN 156 Cb 0.96 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 3isa h GLN 156 CO 0.11 0.66 0.31 0.00 -0.95 0.00 0.00 178.83 178.96 3isa h ALA 157 N 1.37 0.60 -0.45 3.87 0.00 -1.06 -1.71 119.26 121.88 3isa h ALA 157 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3isa h ALA 157 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3isa h ALA 157 CO 0.03 0.06 0.18 1.25 0.00 0.00 0.00 179.25 180.77 3isa h LEU 158 N 0.64 0.61 -0.91 0.00 5.85 -0.83 0.57 115.31 121.25 3isa h LEU 158 Ca 0.17 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3isa h LEU 158 Cb -0.07 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 3isa h LEU 158 CO -0.04 0.60 0.56 0.28 -0.34 0.00 0.00 178.44 179.50 3isa h SER 159 N 0.58 0.83 0.00 1.25 0.02 -1.00 0.74 113.55 115.96 3isa h SER 159 Ca 0.15 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3isa h SER 159 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3isa h SER 159 CO -0.01 0.48 -0.45 0.40 -1.14 0.00 0.00 176.83 176.10 3isa h ILE 160 N 0.94 1.17 -0.08 3.27 2.04 -1.14 -3.38 117.51 120.32 3isa h ILE 160 Ca 0.43 -2.04 -0.21 0.00 1.00 0.00 0.00 64.86 64.04 3isa h ILE 160 Cb 0.35 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3isa h ILE 160 CO -0.23 0.40 -0.80 -0.07 0.00 0.00 0.00 178.15 177.45 3isa h LEU 161 N -1.00 0.64 -2.08 1.44 3.38 0.15 -1.68 115.31 116.16 3isa h LEU 161 Ca -0.12 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.49 3isa h LEU 161 Cb 0.95 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3isa h LEU 161 CO -0.07 1.21 0.23 1.23 0.09 0.00 0.00 178.44 181.13 3isa h GLY 162 N 1.03 0.00 -0.81 0.83 0.00 -0.97 0.16 103.07 103.31 3isa h GLY 162 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3isa h GLY 162 CO 0.15 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.55 3isa n SER 163 N -4.20 2.84 -4.23 0.19 3.41 -1.23 -5.00 113.62 105.40 3isa n SER 163 Ca 0.04 -2.47 -0.30 0.00 -0.26 0.00 0.00 58.87 55.88 3isa n SER 163 Cb 0.38 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 3isa n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3isa n ALA 164 N -0.37 -1.99 -2.73 7.33 0.00 0.57 -4.91 120.51 118.41 3isa n ALA 164 Ca 0.12 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.98 3isa n ALA 164 Cb 0.54 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -7.17 3.11 0.61 0.00 1.70 -0.67 -4.52 118.95 112.01 3isa s ARG 165 Ca 0.02 -0.98 -0.16 0.00 -0.47 0.00 0.00 55.73 54.14 3isa s ARG 165 Cb -0.01 -2.72 -0.02 0.00 -0.57 0.00 0.00 34.95 31.62 3isa s ARG 165 CO 0.97 0.28 1.08 0.00 -1.08 0.00 0.00 175.30 176.55 3isa s ALA 166 N -2.12 2.64 -0.03 7.88 0.00 -1.26 -4.35 121.76 124.52 3isa s ALA 166 Ca 0.38 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 3isa s ALA 166 Cb -0.08 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3isa s ALA 166 CO 0.28 -0.97 0.08 -0.59 0.00 0.00 0.00 175.76 174.56 3isa s PHE 167 N -2.36 -0.09 0.44 0.00 -0.12 -0.05 -5.00 117.98 110.80 3isa s PHE 167 Ca 0.65 0.23 -0.02 0.00 -0.05 0.00 0.00 56.93 57.75 3isa s PHE 167 Cb -0.18 0.01 0.09 0.00 -0.63 0.00 0.00 43.02 42.31 3isa s PHE 167 CO 0.38 -0.06 0.60 -0.40 -0.05 0.00 0.00 175.22 175.69 3isa n ASP 168 N 3.20 0.61 -0.11 1.98 5.68 -1.26 -1.38 116.55 125.27 3isa n ASP 168 Ca -0.14 -1.56 -0.08 0.00 -0.50 0.00 0.00 54.79 52.51 3isa n ASP 168 Cb 0.58 -0.40 0.08 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.82 0.88 -0.25 2.12 0.00 -1.70 -0.61 119.26 118.88 3isa h ALA 169 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3isa h ALA 169 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3isa h ALA 169 CO 0.19 0.63 0.16 -0.44 0.00 0.00 0.00 179.25 179.79 3isa h ASP 170 N 0.73 0.27 -0.50 0.00 3.32 -1.89 -1.21 116.42 117.13 3isa h ASP 170 Ca 0.11 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3isa h ASP 170 Cb 0.69 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3isa h ASP 170 CO 0.05 0.19 0.27 -0.08 -1.72 0.00 0.00 179.24 177.95 3isa h GLU 171 N 0.32 0.70 -0.75 3.56 4.81 -1.89 -1.80 114.58 119.54 3isa h GLU 171 Ca 0.09 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3isa h GLU 171 Cb -0.03 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.14 3isa h GLU 171 CO -0.03 0.56 0.38 0.00 -0.73 0.00 0.00 179.01 179.19 3isa h ALA 172 N 1.11 1.05 -0.18 2.92 0.00 -0.79 -0.71 119.26 122.66 3isa h ALA 172 Ca 0.18 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 172 Cb 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 172 CO -0.03 -0.02 -0.11 -0.09 0.00 0.00 0.00 179.25 179.00 3isa h ARG 173 N 0.64 0.39 -0.64 0.00 2.43 -1.05 0.22 114.38 116.37 3isa h ARG 173 Ca 0.37 -0.18 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 3isa h ARG 173 Cb 0.40 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3isa h ARG 173 CO -0.27 0.71 0.28 -0.09 -1.51 0.00 0.00 179.97 179.09 3isa h ARG 174 N 0.06 0.49 -0.01 0.20 2.43 -0.68 -2.11 114.38 114.76 3isa h ARG 174 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3isa h ARG 174 Cb 0.61 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3isa h ARG 174 CO 0.03 0.32 0.00 0.44 -1.51 0.00 0.00 179.97 179.25 3isa n ILE 175 N -4.92 0.01 -0.78 1.20 -5.35 -0.33 -4.91 119.36 104.28 3isa n ILE 175 Ca 0.09 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3isa n ILE 175 Cb 0.25 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 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 1.07 0.57 0.11 3.28 0.00 -0.79 -4.49 105.19 104.94 3isa n GLY 176 Ca 0.21 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -3.98 1.61 3.57 -0.79 -3.44 116.94 113.91 3isa h PHE 177 Ca 0.00 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 3isa h PHE 177 Cb 0.00 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 38.51 3isa h PHE 177 CO 0.00 0.73 -0.83 0.14 -2.23 0.00 0.00 178.31 176.12 3isa s VAL 178 N -3.24 1.69 0.28 1.41 -7.23 -1.07 -4.78 120.40 107.46 3isa s VAL 178 Ca 0.00 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3isa s VAL 178 Cb 0.11 -1.53 0.10 0.00 0.56 0.00 0.00 36.38 35.63 3isa s VAL 178 CO 0.77 -0.01 1.76 0.03 -0.31 0.00 0.00 175.10 177.35 3isa h ARG 179 N 4.24 0.65 -2.32 4.82 3.08 -1.03 -3.41 114.38 120.41 3isa h ARG 179 Ca -0.45 -0.19 0.09 0.00 0.07 0.00 0.00 59.98 59.49 3isa h ARG 179 Cb 1.18 -0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.01 3isa h ARG 179 CO 0.40 0.74 0.46 0.34 -1.07 0.00 0.00 179.97 180.84 3isa s ASP 180 N -6.72 -0.40 -0.33 7.04 2.15 -1.26 -5.09 116.67 112.06 3isa s ASP 180 Ca -0.08 0.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.74 3isa s ASP 180 Cb 0.14 0.41 -0.00 0.00 -0.30 0.00 0.00 42.92 43.17 3isa s ASP 180 CO 0.80 -0.65 0.60 0.00 -0.17 0.00 0.00 175.17 175.75 3isa s ALA 182 N 2.58 0.56 0.78 0.00 0.00 0.12 -4.77 121.76 121.03 3isa s ALA 182 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3isa s ALA 182 Cb -0.15 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.48 3isa s ALA 182 CO 0.13 -0.26 1.19 0.00 0.00 0.00 0.00 175.76 176.82 3isa s ALA 183 N 1.50 1.97 0.62 0.00 0.00 -1.26 -3.54 121.76 121.05 3isa s ALA 183 Ca -0.02 0.79 0.34 0.00 0.00 0.00 0.00 51.96 53.07 3isa s ALA 183 Cb -0.13 -3.46 2.00 0.00 0.00 0.00 0.00 23.12 21.53 3isa s ALA 183 CO -0.03 -2.10 2.27 1.96 0.00 0.00 0.00 175.76 177.86 3isa h GLN 184 N -0.72 0.00 -0.24 0.00 4.20 -1.97 -0.97 115.11 115.41 3isa h GLN 184 Ca -0.46 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.28 3isa h GLN 184 Cb 1.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3isa h GLN 184 CO 0.48 0.00 0.17 0.00 -0.67 0.00 0.00 178.83 178.80 3isa h ALA 185 N 1.96 2.01 0.00 3.87 0.00 -2.06 -1.87 119.26 123.18 3isa h ALA 185 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3isa h ALA 185 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3isa h ALA 185 CO -0.00 -0.06 0.00 1.96 0.00 0.00 0.00 179.25 181.15 3isa h GLN 186 N 0.17 0.00 -0.49 0.00 4.20 -1.52 -3.40 115.11 114.07 3isa h GLN 186 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3isa h GLN 186 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3isa h GLN 186 CO -0.02 0.00 0.26 -1.49 -0.67 0.00 0.00 178.83 176.91 3isa h TRP 187 N 0.00 0.69 -0.77 2.96 4.06 -1.40 -2.31 115.95 119.17 3isa h TRP 187 Ca 0.00 -0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.08 3isa h TRP 187 Cb 0.85 -0.22 -0.10 0.00 -1.00 0.00 0.00 29.16 28.70 3isa h TRP 187 CO 0.00 0.52 0.32 -1.35 -3.56 0.00 0.00 178.44 174.37 3isa h PRO 188 N 0.66 0.44 -0.61 0.49 0.11 -1.78 -0.43 132.00 130.88 3isa h PRO 188 Ca 0.17 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 3isa h PRO 188 Cb 0.07 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3isa h PRO 188 CO -0.03 0.29 0.07 0.00 -0.21 0.00 0.00 178.00 178.13 3isa h ALA 189 N 1.56 0.99 -0.60 -0.75 0.00 -1.72 -1.84 119.26 116.89 3isa h ALA 189 Ca 0.43 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 189 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3isa h ALA 189 CO -0.41 0.63 0.01 -0.07 0.00 0.00 0.00 179.25 179.42 3isa h LEU 190 N 0.94 1.01 -0.40 0.00 3.38 -0.89 -1.57 115.31 117.78 3isa h LEU 190 Ca 0.18 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3isa h LEU 190 Cb 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3isa h LEU 190 CO 0.01 1.05 0.04 0.40 0.09 0.00 0.00 178.44 180.03 3isa h ILE 191 N 0.95 1.25 -0.58 1.22 2.04 -0.94 -0.89 117.51 120.56 3isa h ILE 191 Ca 0.17 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.20 3isa h ILE 191 Cb 0.53 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 3isa h ILE 191 CO 0.03 0.32 0.16 0.44 0.00 0.00 0.00 178.15 179.09 3isa h ASP 192 N 0.53 0.08 -0.38 1.72 3.32 -1.17 0.15 116.42 120.66 3isa h ASP 192 Ca 0.12 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3isa h ASP 192 Cb 0.42 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3isa h ASP 192 CO 0.01 0.06 0.08 0.00 -1.72 0.00 0.00 179.24 177.67 3isa h ALA 193 N 1.44 0.51 -0.61 3.45 0.00 -1.04 -1.74 119.26 121.26 3isa h ALA 193 Ca 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 193 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3isa h ALA 193 CO -0.35 0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.37 3isa h ALA 194 N 0.93 0.79 -0.82 0.00 0.00 -0.72 -0.90 119.26 118.53 3isa h ALA 194 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3isa h ALA 194 Cb 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3isa h ALA 194 CO 0.00 0.37 0.41 0.00 0.00 0.00 0.00 179.25 180.03 3isa h ALA 195 N 1.11 1.16 -0.24 0.00 0.00 -0.57 0.69 119.26 121.42 3isa h ALA 195 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3isa h ALA 195 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3isa h ALA 195 CO -0.02 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.50 3isa h GLU 196 N 1.17 0.32 -0.42 0.00 4.81 -0.99 -2.15 114.58 117.31 3isa h GLU 196 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3isa h GLU 196 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3isa h GLU 196 CO -0.04 0.25 0.18 0.00 -0.73 0.00 0.00 179.01 178.68 3isa h ALA 197 N 1.05 0.55 -0.90 2.92 0.00 -0.85 -2.88 119.26 119.15 3isa h ALA 197 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3isa h ALA 197 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3isa h ALA 197 CO -0.02 0.13 0.59 0.00 0.00 0.00 0.00 179.25 179.96 3isa h ALA 198 N 1.03 1.17 -0.29 0.00 0.00 -0.75 -2.46 119.26 117.96 3isa h ALA 198 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3isa h ALA 198 Cb 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3isa h ALA 198 CO -0.01 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.97 3isa n THR 199 N -4.49 0.39 0.24 0.00 -2.24 -0.82 -4.05 114.28 103.31 3isa n THR 199 Ca 0.11 -0.43 0.11 0.00 -2.27 0.00 0.00 64.05 61.57 3isa n THR 199 Cb 0.06 0.27 0.56 0.00 -2.10 0.00 0.00 70.33 69.13 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 3.77 1.10 -2.89 6.98 0.00 -1.22 -3.44 119.26 123.57 3isa h ALA 200 Ca 0.00 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.13 3isa h ALA 200 Cb 0.47 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 3isa h ALA 200 CO 0.00 0.23 -0.80 -0.51 0.00 0.00 0.00 179.25 178.17 3isa s LEU 201 N -6.91 2.47 0.65 0.00 1.43 -1.26 -5.13 118.68 109.93 3isa s LEU 201 Ca -0.01 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 3isa s LEU 201 Cb 0.11 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3isa s LEU 201 CO 0.61 0.07 1.07 1.51 0.23 0.00 0.00 176.35 179.84 3isa s ASP 202 N -2.88 5.44 0.25 2.29 1.47 -1.26 -4.74 116.67 117.24 3isa s ASP 202 Ca 0.22 1.81 -0.03 0.00 1.18 0.00 0.00 52.55 55.73 3isa s ASP 202 Cb -0.07 -2.53 0.49 0.00 -0.34 0.00 0.00 42.92 40.48 3isa s ASP 202 CO 0.10 -1.40 1.73 -0.65 0.68 0.00 0.00 175.17 175.63 3isa h PRO 203 N -0.04 0.43 -0.49 2.11 0.11 -1.95 0.04 132.00 132.21 3isa h PRO 203 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3isa h PRO 203 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3isa h PRO 203 CO 0.56 0.29 0.01 0.00 -0.21 0.00 0.00 178.00 178.65 3isa h ALA 204 N 1.57 0.66 -0.29 -0.75 0.00 -1.99 -1.34 119.26 117.12 3isa h ALA 204 Ca 0.43 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3isa h ALA 204 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3isa h ALA 204 CO -0.42 0.46 -0.26 1.15 0.00 0.00 0.00 179.25 180.18 3isa h THR 205 N 0.72 1.30 -0.50 0.00 2.02 -1.82 -1.35 112.91 113.28 3isa h THR 205 Ca 0.14 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 65.94 3isa h THR 205 Cb 0.50 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3isa h THR 205 CO 0.02 0.45 0.26 -0.09 0.37 0.00 0.00 175.52 176.54 3isa h ARG 206 N 0.43 0.50 -0.33 6.66 2.43 -0.94 -0.24 114.38 122.91 3isa h ARG 206 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3isa h ARG 206 Cb 0.82 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3isa h ARG 206 CO 0.07 0.33 0.21 0.00 -1.51 0.00 0.00 179.97 179.07 3isa h ALA 207 N 1.26 0.42 -0.26 2.80 0.00 -1.12 -1.65 119.26 120.71 3isa h ALA 207 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3isa h ALA 207 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3isa h ALA 207 CO -0.14 -0.10 0.17 1.15 0.00 0.00 0.00 179.25 180.32 3isa h THR 208 N 0.44 1.08 -0.31 0.00 2.02 -0.95 -1.39 112.91 113.80 3isa h THR 208 Ca 0.12 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.20 3isa h THR 208 Cb -0.03 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3isa h THR 208 CO -0.02 0.07 -0.02 0.25 0.37 0.00 0.00 175.52 176.16 3isa h LEU 209 N 0.35 -0.18 -0.63 2.58 5.85 -0.85 -0.17 115.31 122.27 3isa h LEU 209 Ca 0.10 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3isa h LEU 209 Cb -0.03 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3isa h LEU 209 CO -0.02 -0.05 0.40 0.45 -0.34 0.00 0.00 178.44 178.87 3isa h HIS 210 N 0.06 0.74 0.02 1.25 3.86 -1.06 0.13 115.15 120.15 3isa h HIS 210 Ca 0.15 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3isa h HIS 210 Cb 0.21 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3isa h HIS 210 CO -0.25 0.43 -0.05 -0.09 0.86 0.00 0.00 177.93 178.84 3isa h ARG 211 N 0.79 -0.10 -0.68 2.45 2.43 -0.86 -2.00 114.38 116.41 3isa h ARG 211 Ca 0.25 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3isa h ARG 211 Cb -0.00 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3isa h ARG 211 CO -0.09 -0.07 0.27 0.28 -1.51 0.00 0.00 179.97 178.85 3isa h VAL 212 N -0.10 1.24 0.03 0.20 2.07 -0.68 -3.14 116.25 115.86 3isa h VAL 212 Ca 0.01 -0.75 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 3isa h VAL 212 Cb 0.11 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3isa h VAL 212 CO -0.04 0.30 -0.96 -0.07 0.02 0.00 0.00 177.57 176.82 3isa h LEU 213 N 0.98 0.25 -9.87 2.57 3.38 -0.84 -3.46 115.31 108.31 3isa h LEU 213 Ca 0.23 -0.22 -0.50 0.00 0.09 0.00 0.00 57.88 57.48 3isa h LEU 213 Cb 0.20 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 40.90 3isa h LEU 213 CO -0.02 1.07 0.47 -0.60 0.09 0.00 0.00 178.44 179.45 3isa s ARG 214 N -3.03 4.42 -0.60 1.13 3.52 -0.76 -5.00 118.95 118.63 3isa s ARG 214 Ca -0.02 1.76 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 3isa s ARG 214 Cb 0.10 -2.95 0.07 0.00 -1.56 0.00 0.00 34.95 30.60 3isa s ARG 214 CO 0.84 0.03 0.84 0.34 -0.81 0.00 0.00 175.30 176.54 3isa s ASP 215 N -1.06 6.21 -0.56 -2.12 2.15 -1.26 -4.99 116.67 115.04 3isa s ASP 215 Ca 0.50 -0.99 -0.25 0.00 0.43 0.00 0.00 52.55 52.24 3isa s ASP 215 Cb -0.30 -2.37 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3isa s ASP 215 CO 0.38 -1.24 0.98 -0.62 -0.17 0.00 0.00 175.17 174.50 3isa s ASP 216 N 3.39 6.34 -0.29 -0.34 -1.08 -1.26 -4.84 116.67 118.58 3isa s ASP 216 Ca 0.20 -0.34 0.10 0.00 -0.52 0.00 0.00 52.55 51.99 3isa s ASP 216 Cb -0.18 -2.45 0.47 0.00 -1.46 0.00 0.00 42.92 39.29 3isa s ASP 216 CO 0.11 -1.28 1.16 0.00 0.52 0.00 0.00 175.17 175.68 3isa n HIS 217 N 7.62 2.44 -0.10 -5.34 1.44 -1.26 -4.92 115.22 115.10 3isa n HIS 217 Ca 0.02 -2.26 -0.07 0.00 -2.01 0.00 0.00 57.72 53.40 3isa n HIS 217 Cb 0.48 -0.30 0.01 0.00 0.12 0.00 0.00 29.99 30.29 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 2.31 0.14 -0.43 4.39 3.32 -1.99 -0.80 116.42 123.35 3isa h ASP 218 Ca 0.25 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3isa h ASP 218 Cb 1.44 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 3isa h ASP 218 CO 0.64 0.12 0.15 0.44 -1.72 0.00 0.00 179.24 178.87 3isa h ASP 219 N 0.28 0.62 -0.73 6.45 3.32 -1.99 -0.05 116.42 124.31 3isa h ASP 219 Ca 0.16 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3isa h ASP 219 Cb 0.13 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3isa h ASP 219 CO -0.16 0.64 0.32 0.00 -1.72 0.00 0.00 179.24 178.33 3isa h ALA 220 N 1.00 1.17 -0.16 3.45 0.00 -1.91 -0.68 119.26 122.12 3isa h ALA 220 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3isa h ALA 220 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3isa h ALA 220 CO -0.01 0.61 0.01 -0.44 0.00 0.00 0.00 179.25 179.43 3isa h ASP 221 N 1.07 0.27 -0.53 0.00 3.32 -0.76 -1.17 116.42 118.62 3isa h ASP 221 Ca 0.25 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3isa h ASP 221 Cb 0.16 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3isa h ASP 221 CO -0.03 0.49 0.08 0.25 -1.72 0.00 0.00 179.24 178.31 3isa h LEU 222 N 0.05 0.84 -0.35 1.55 5.85 -0.86 -0.87 115.31 121.53 3isa h LEU 222 Ca 0.05 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3isa h LEU 222 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3isa h LEU 222 CO 0.01 0.89 0.17 0.00 -0.34 0.00 0.00 178.44 179.17 3isa h ALA 223 N 0.98 0.43 -0.65 1.25 0.00 -1.09 0.70 119.26 120.88 3isa h ALA 223 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3isa h ALA 223 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3isa h ALA 223 CO 0.01 -0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.26 3isa h ALA 224 N 1.19 0.85 0.38 0.00 0.00 -1.04 0.02 119.26 120.66 3isa h ALA 224 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3isa h ALA 224 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3isa h ALA 224 CO -0.11 0.52 -0.18 1.25 0.00 0.00 0.00 179.25 180.73 3isa h LEU 225 N 0.94 -0.44 -0.45 0.00 6.46 -0.87 -2.04 115.31 118.90 3isa h LEU 225 Ca 0.21 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 3isa h LEU 225 Cb 0.29 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3isa h LEU 225 CO -0.01 -0.31 0.11 0.00 -0.62 0.00 0.00 178.44 177.62 3isa h ALA 226 N 0.10 0.52 -0.46 1.25 0.00 -0.60 -1.41 119.26 118.65 3isa h ALA 226 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3isa h ALA 226 Cb 0.40 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3isa h ALA 226 CO 0.09 -0.29 0.25 0.00 0.00 0.00 0.00 179.25 179.30 3isa h ARG 227 N 0.26 0.64 -0.52 0.00 3.08 -0.97 -0.67 114.38 116.20 3isa h ARG 227 Ca 0.22 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3isa h ARG 227 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3isa h ARG 227 CO -0.27 0.51 0.25 0.66 -1.07 0.00 0.00 179.97 180.05 3isa h SER 228 N 0.61 0.68 1.22 7.04 4.64 -0.88 -2.74 113.55 124.12 3isa h SER 228 Ca 0.16 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3isa h SER 228 Cb 0.05 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3isa h SER 228 CO -0.03 0.62 -0.33 0.00 -0.87 0.00 0.00 176.83 176.23 3isa h ALA 229 N 1.09 0.79 -0.01 5.18 0.00 -1.14 -3.23 119.26 121.93 3isa h ALA 229 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3isa h ALA 229 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3isa h ALA 229 CO -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.07 3isa n ALA 230 N -1.85 2.87 -1.81 0.00 0.00 -0.27 -4.74 120.51 114.72 3isa n ALA 230 Ca 0.04 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3isa n ALA 230 Cb 0.45 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.26 4.16 0.23 0.00 -1.52 -1.06 -4.91 119.66 114.30 3isa s GLN 231 Ca 0.29 2.48 -0.31 0.00 -1.95 0.00 0.00 55.36 55.88 3isa s GLN 231 Cb 0.20 -3.48 -0.15 0.00 -0.22 0.00 0.00 33.01 29.36 3isa s GLN 231 CO 0.43 -0.77 1.17 -2.30 -0.25 0.00 0.00 175.29 173.58 3isa n PRO 232 N 5.26 1.43 -0.33 2.91 -0.02 -1.26 -2.77 135.00 140.22 3isa n PRO 232 Ca 0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3isa n PRO 232 Cb 0.39 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.78 0.81 0.04 -1.23 0.00 -1.26 -5.00 105.19 100.33 3isa n GLY 233 Ca 0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.81 1.61 3.57 -1.84 -1.65 116.94 117.82 3isa h PHE 234 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3isa h PHE 234 Cb 0.00 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3isa h PHE 234 CO 0.00 0.08 0.51 -0.22 -2.23 0.00 0.00 178.31 176.45 3isa h LYS 235 N -0.08 1.09 -0.80 1.11 3.64 -1.94 -1.44 116.57 118.15 3isa h LYS 235 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3isa h LYS 235 Cb 0.08 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 3isa h LYS 235 CO -0.00 0.75 0.35 0.00 -2.27 0.00 0.00 179.45 178.28 3isa h ALA 236 N 1.28 1.11 -0.66 5.00 0.00 -1.94 -0.06 119.26 123.99 3isa h ALA 236 Ca 0.29 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3isa h ALA 236 Cb -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 3isa h ALA 236 CO -0.06 0.65 0.13 0.00 0.00 0.00 0.00 179.25 179.97 3isa h ARG 237 N 1.15 1.06 -0.18 0.00 3.08 -0.70 -1.02 114.38 117.77 3isa h ARG 237 Ca 0.27 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3isa h ARG 237 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3isa h ARG 237 CO -0.03 0.96 0.10 0.82 -1.07 0.00 0.00 179.97 180.75 3isa h ILE 238 N 1.00 1.09 -0.33 2.04 2.04 -0.96 -1.88 117.51 120.51 3isa h ILE 238 Ca 0.20 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3isa h ILE 238 Cb 0.40 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 3isa h ILE 238 CO 0.01 0.09 -0.07 -0.09 0.00 0.00 0.00 178.15 178.09 3isa h ARG 239 N 0.19 0.01 -0.44 2.37 2.43 -0.70 -0.40 114.38 117.84 3isa h ARG 239 Ca 0.06 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3isa h ARG 239 Cb 0.06 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3isa h ARG 239 CO -0.01 0.01 0.15 -0.44 -1.51 0.00 0.00 179.97 178.17 3isa h ASP 240 N 0.01 0.16 -0.33 -3.80 3.32 -1.06 -1.79 116.42 112.93 3isa h ASP 240 Ca 0.16 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3isa h ASP 240 Cb 0.24 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3isa h ASP 240 CO -0.33 0.12 0.15 0.22 -1.72 0.00 0.00 179.24 177.68 3isa h TYR 241 N 0.32 0.49 -0.14 4.55 3.20 -0.86 -2.87 116.97 121.66 3isa h TYR 241 Ca 0.21 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3isa h TYR 241 Cb 0.20 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3isa h TYR 241 CO -0.16 0.45 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.58 3isa h LEU 242 N 0.39 0.21 -1.20 2.82 3.38 -0.86 -2.53 115.31 117.52 3isa h LEU 242 Ca 0.11 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3isa h LEU 242 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3isa h LEU 242 CO -0.01 0.39 -0.40 0.00 0.09 0.00 0.00 178.44 178.52 3isa h ALA 243 N 1.63 1.34 0.00 1.53 0.00 -1.18 -3.51 119.26 119.07 3isa h ALA 243 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3isa h ALA 243 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3isa h ALA 243 CO 0.03 0.50 0.00 1.04 0.00 0.00 0.00 179.25 180.81