#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 2.56 -2.11 7.33 0.00 -1.26 -4.87 120.51 122.17 3isa n ALA 6 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 3isa n ALA 6 Cb 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.97 5.56 -0.56 0.00 0.01 -1.26 -5.05 113.70 110.43 3isa s SER 7 Ca 0.37 0.59 0.05 0.00 1.31 0.00 0.00 55.95 58.26 3isa s SER 7 Cb 0.21 -1.59 0.18 0.00 0.21 0.00 0.00 66.02 65.02 3isa s SER 7 CO 0.33 -1.04 0.44 -0.11 0.41 0.00 0.00 173.24 173.26 3isa n LEU 8 N -2.51 1.33 0.23 2.44 7.94 -1.26 -4.94 117.00 120.22 3isa n LEU 8 Ca 0.04 -4.82 0.15 0.00 -1.11 0.00 0.00 56.01 50.28 3isa n LEU 8 Cb 0.58 -0.10 0.62 0.00 0.53 0.00 0.00 43.42 45.05 3isa n LEU 8 CO 0.51 1.83 0.95 1.55 -1.11 0.00 0.00 177.39 181.12 3isa h PRO 9 N 5.40 0.00 -4.33 1.96 0.13 -1.96 -3.40 132.00 129.79 3isa h PRO 9 Ca 0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.77 3isa h PRO 9 Cb 0.83 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.59 3isa h PRO 9 CO 0.55 0.00 -0.81 -1.17 -0.23 0.00 0.00 178.00 176.35 3isa s LEU 10 N -5.56 1.57 -0.08 1.56 2.96 -1.26 -0.21 118.68 117.66 3isa s LEU 10 Ca 0.02 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 3isa s LEU 10 Cb 0.09 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 3isa s LEU 10 CO 0.49 -0.13 0.35 0.00 -1.32 0.00 0.00 176.35 175.73 3isa s ALA 11 N 1.60 3.65 -0.18 5.97 0.00 -0.48 -4.96 121.76 127.37 3isa s ALA 11 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3isa s ALA 11 Cb -0.14 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.63 3isa s ALA 11 CO -0.09 0.30 -0.16 0.42 0.00 0.00 0.00 175.76 176.24 3isa s ILE 12 N -0.34 1.85 -0.24 0.00 1.01 -1.26 -0.74 121.20 121.48 3isa s ILE 12 Ca 0.21 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 3isa s ILE 12 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3isa s ILE 12 CO 0.09 0.41 0.27 -0.70 0.00 0.00 0.00 174.94 175.01 3isa s GLU 13 N 1.35 4.07 -0.21 2.79 2.12 -0.30 -4.95 118.70 123.57 3isa s GLU 13 Ca 0.03 -0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.21 3isa s GLU 13 Cb -0.14 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3isa s GLU 13 CO -0.11 -0.06 0.01 1.03 -0.54 0.00 0.00 175.26 175.58 3isa s ARG 14 N 1.42 3.60 0.24 4.30 0.52 -1.26 -0.58 118.95 127.18 3isa s ARG 14 Ca 0.12 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 3isa s ARG 14 Cb -0.15 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 3isa s ARG 14 CO 0.07 -0.04 -0.04 1.03 0.02 0.00 0.00 175.30 176.35 3isa s ARG 15 N 1.14 1.37 0.23 3.54 1.81 -0.10 -5.02 118.95 121.93 3isa s ARG 15 Ca 0.03 -1.68 -0.07 0.00 -1.72 0.00 0.00 55.73 52.29 3isa s ARG 15 Cb -0.14 -0.80 0.31 0.00 -0.45 0.00 0.00 34.95 33.86 3isa s ARG 15 CO 0.01 -0.03 1.82 -1.35 -0.68 0.00 0.00 175.30 175.07 3isa h PRO 16 N 2.45 0.74 0.00 3.54 0.11 -2.02 -2.83 132.00 134.00 3isa h PRO 16 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3isa h PRO 16 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3isa h PRO 16 CO 0.65 0.49 -0.70 0.00 -0.21 0.00 0.00 178.00 178.23 3isa n ALA 17 N -2.36 3.55 -3.63 -0.75 0.00 -1.26 -4.61 120.51 111.45 3isa n ALA 17 Ca 0.11 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 3isa n ALA 17 Cb 0.21 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.07 -1.79 -0.12 0.00 0.00 -1.07 -1.69 121.76 114.02 3isa s ALA 18 Ca 0.08 2.11 -0.02 0.00 0.00 0.00 0.00 51.96 54.13 3isa s ALA 18 Cb 0.16 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 3isa s ALA 18 CO 0.75 -0.35 -0.03 -1.58 0.00 0.00 0.00 175.76 174.55 3isa s TRP 19 N 0.65 3.05 -0.23 0.00 0.52 -0.25 -0.92 118.94 121.77 3isa s TRP 19 Ca -0.02 -0.07 -0.06 0.00 0.02 0.00 0.00 56.10 55.98 3isa s TRP 19 Cb -0.05 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 3isa s TRP 19 CO -0.04 0.20 0.01 0.99 0.02 0.00 0.00 176.95 178.14 3isa s THR 20 N -0.27 3.88 -0.48 2.01 2.01 0.25 -0.28 115.64 122.77 3isa s THR 20 Ca 0.05 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 3isa s THR 20 Cb -0.13 -2.79 0.07 0.00 0.01 0.00 0.00 72.50 69.67 3isa s THR 20 CO 0.02 0.39 0.45 -0.36 -0.69 0.00 0.00 174.62 174.43 3isa s PHE 21 N 1.46 3.20 -0.38 4.92 0.08 0.20 -1.15 117.98 126.31 3isa s PHE 21 Ca 0.05 -0.87 -0.13 0.00 0.12 0.00 0.00 56.93 56.10 3isa s PHE 21 Cb -0.15 -3.27 0.01 0.00 -0.57 0.00 0.00 43.02 39.04 3isa s PHE 21 CO 0.01 -0.86 0.26 0.99 -0.10 0.00 0.00 175.22 175.52 3isa s THR 22 N 1.84 5.09 0.10 0.64 2.01 0.08 -1.57 115.64 123.82 3isa s THR 22 Ca 0.06 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 3isa s THR 22 Cb -0.24 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 3isa s THR 22 CO 0.07 -0.20 1.67 -0.76 -0.69 0.00 0.00 174.62 174.72 3isa s LEU 23 N 1.66 4.37 -0.42 4.42 1.02 -0.00 -1.38 118.68 128.35 3isa s LEU 23 Ca 0.05 2.57 0.10 0.00 0.02 0.00 0.00 54.13 56.87 3isa s LEU 23 Cb -0.19 -3.57 0.39 0.00 0.02 0.00 0.00 46.19 42.84 3isa s LEU 23 CO 0.09 -0.90 0.92 -1.20 0.02 0.00 0.00 176.35 175.28 3isa n SER 24 N 5.26 2.68 -3.11 2.29 7.64 0.71 -0.74 113.62 128.35 3isa n SER 24 Ca 0.16 -3.25 -0.25 0.00 1.01 0.00 0.00 58.87 56.54 3isa n SER 24 Cb 0.40 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.09 2.52 0.08 1.43 1.74 -1.26 -4.47 116.66 116.61 3isa n ARG 25 Ca 0.25 -4.46 0.10 0.00 -0.77 0.00 0.00 57.85 52.98 3isa n ARG 25 Cb 0.64 -2.08 0.42 0.00 -1.02 0.00 0.00 32.46 30.42 3isa n ARG 25 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3isa n PRO 26 N 0.21 0.12 0.00 5.56 -0.04 -1.26 -1.12 135.00 138.47 3isa n PRO 26 Ca 0.29 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 3isa n PRO 26 Cb 0.45 -1.73 0.38 0.00 -0.04 0.00 0.00 33.50 32.56 3isa n PRO 26 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3isa n GLU 27 N -1.96 0.06 -0.38 0.54 -0.58 -1.26 -3.82 120.64 113.25 3isa n GLU 27 Ca 0.03 -0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.81 3isa n GLU 27 Cb 0.21 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.44 1.33 -2.66 3.49 4.76 -0.28 -4.98 118.16 118.39 3isa n LYS 28 Ca 0.07 -2.84 -0.19 0.00 -2.87 0.00 0.00 58.31 52.47 3isa n LYS 28 Cb 0.33 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.18 -2.78 -3.32 1.97 1.74 -1.08 -1.81 116.66 110.20 3isa n ARG 29 Ca 0.16 0.83 -0.24 0.00 -0.77 0.00 0.00 57.85 57.83 3isa n ARG 29 Cb 0.68 -5.53 0.02 0.00 -1.02 0.00 0.00 32.46 26.61 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 -2.11 -4.84 -4.77 0.55 3.02 -0.35 -1.01 115.26 105.75 3isa n ASN 30 Ca -0.17 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 3isa n ASN 30 Cb 0.64 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 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 -3.08 2.79 -0.84 5.41 0.00 -0.75 -4.06 121.76 121.23 3isa s ALA 31 Ca 0.41 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 3isa s ALA 31 Cb -0.20 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.64 3isa s ALA 31 CO 0.50 -0.77 1.09 -0.51 0.00 0.00 0.00 175.76 176.08 3isa s LEU 32 N -3.51 4.70 0.82 0.00 1.43 0.19 -4.72 118.68 117.59 3isa s LEU 32 Ca 0.70 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 3isa s LEU 32 Cb -0.27 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 43.62 3isa s LEU 32 CO 0.31 -1.23 1.09 -0.94 0.23 0.00 0.00 176.35 175.81 3isa s SER 33 N 3.76 4.20 0.22 2.29 1.04 -1.26 -1.82 113.70 122.13 3isa s SER 33 Ca 0.30 1.47 -0.08 0.00 0.48 0.00 0.00 55.95 58.11 3isa s SER 33 Cb -0.09 -2.19 0.30 0.00 0.10 0.00 0.00 66.02 64.14 3isa s SER 33 CO -0.03 -2.18 1.77 0.00 0.98 0.00 0.00 173.24 173.78 3isa h ALA 34 N -1.23 0.89 -0.42 5.32 0.00 -1.95 -1.85 119.26 120.02 3isa h ALA 34 Ca -0.47 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3isa h ALA 34 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3isa h ALA 34 CO 0.56 -0.10 0.22 1.49 0.00 0.00 0.00 179.25 181.42 3isa h GLU 35 N 0.53 0.43 -0.44 0.00 4.81 -1.99 -1.10 114.58 116.81 3isa h GLU 35 Ca 0.32 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3isa h GLU 35 Cb 0.35 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3isa h GLU 35 CO -0.27 0.28 0.18 1.25 -0.73 0.00 0.00 179.01 179.72 3isa h LEU 36 N 0.44 0.61 -0.28 1.64 5.85 -1.84 -1.45 115.31 120.29 3isa h LEU 36 Ca 0.18 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3isa h LEU 36 Cb 0.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3isa h LEU 36 CO -0.12 0.61 0.12 0.58 -0.34 0.00 0.00 178.44 179.30 3isa h VAL 37 N 0.57 0.97 -0.73 1.05 2.07 -1.08 -0.58 116.25 118.52 3isa h VAL 37 Ca 0.15 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3isa h VAL 37 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3isa h VAL 37 CO -0.01 0.05 0.37 -0.33 0.02 0.00 0.00 177.57 177.67 3isa h GLU 38 N 0.26 1.03 -0.79 1.57 4.39 -1.09 -0.27 114.58 119.67 3isa h GLU 38 Ca 0.12 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3isa h GLU 38 Cb 0.06 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 3isa h GLU 38 CO -0.10 0.78 0.35 0.00 -1.16 0.00 0.00 179.01 178.88 3isa h ALA 39 N 1.38 1.02 -0.34 3.43 0.00 -0.87 -1.16 119.26 122.73 3isa h ALA 39 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3isa h ALA 39 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3isa h ALA 39 CO -0.04 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.78 3isa h LEU 40 N 1.13 0.57 -0.18 0.00 3.38 -0.51 -1.08 115.31 118.62 3isa h LEU 40 Ca 0.27 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3isa h LEU 40 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3isa h LEU 40 CO -0.03 0.72 0.11 0.40 0.09 0.00 0.00 178.44 179.74 3isa h ILE 41 N 0.40 1.04 -0.23 1.22 2.04 -0.93 0.00 117.51 121.05 3isa h ILE 41 Ca 0.10 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3isa h ILE 41 Cb 0.42 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3isa h ILE 41 CO 0.01 0.04 -0.11 -0.78 0.00 0.00 0.00 178.15 177.31 3isa h ASP 42 N 0.23 -0.38 -0.25 1.72 3.58 -1.18 -0.69 116.42 119.45 3isa h ASP 42 Ca 0.07 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 3isa h ASP 42 Cb -0.02 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3isa h ASP 42 CO -0.02 -0.15 0.12 1.23 -2.88 0.00 0.00 179.24 177.54 3isa h GLY 43 N -0.09 0.39 0.99 -0.78 0.00 -0.96 -1.04 103.07 101.58 3isa h GLY 43 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3isa h GLY 43 CO -0.29 0.19 0.26 -2.08 0.00 0.00 0.00 176.54 174.62 3isa h VAL 44 N 0.27 1.14 -0.88 4.60 2.07 -0.93 -1.06 116.25 121.45 3isa h VAL 44 Ca 0.08 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3isa h VAL 44 Cb 0.13 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3isa h VAL 44 CO -0.01 0.14 0.58 0.44 0.02 0.00 0.00 177.57 178.74 3isa h ASP 45 N 0.56 1.00 -0.45 0.57 3.32 -1.00 -1.22 116.42 119.20 3isa h ASP 45 Ca 0.15 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3isa h ASP 45 Cb -0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3isa h ASP 45 CO -0.03 0.72 0.04 0.00 -1.72 0.00 0.00 179.24 178.25 3isa h ALA 46 N 1.33 0.60 -0.64 3.45 0.00 -0.97 -1.74 119.26 121.29 3isa h ALA 46 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 46 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3isa h ALA 46 CO -0.08 0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.88 3isa h ALA 47 N 0.93 1.43 -0.19 0.00 0.00 -0.88 -1.23 119.26 119.32 3isa h ALA 47 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3isa h ALA 47 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3isa h ALA 47 CO 0.02 0.48 0.10 1.25 0.00 0.00 0.00 179.25 181.09 3isa h HIS 48 N 0.88 0.26 -0.86 0.00 6.17 -0.97 -0.14 115.15 120.48 3isa h HIS 48 Ca 0.23 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3isa h HIS 48 Cb 0.01 -0.08 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 3isa h HIS 48 CO 0.00 0.26 0.55 0.00 0.71 0.00 0.00 177.93 179.46 3isa h ARG 49 N 0.18 1.15 -0.10 5.26 3.08 -0.96 -2.66 114.38 120.35 3isa h ARG 49 Ca 0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3isa h ARG 49 Cb 0.09 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3isa h ARG 49 CO -0.01 0.78 0.00 0.39 -1.07 0.00 0.00 179.97 180.06 3isa n GLU 50 N -4.39 1.79 -3.96 0.04 1.02 -0.50 -4.94 120.64 109.71 3isa n GLU 50 Ca 0.10 -1.17 -0.29 0.00 -0.02 0.00 0.00 57.16 55.77 3isa n GLU 50 Cb 0.04 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.41 -4.52 -1.69 3.49 6.02 -0.16 -4.90 117.38 116.02 3isa n GLN 51 Ca 0.18 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 3isa n GLN 51 Cb 0.38 -5.19 -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 0.28 -1.01 0.00 0.00 177.06 176.33 3isa n VAL 52 N -4.50 0.36 -0.24 5.09 0.31 -0.62 -4.91 118.33 113.82 3isa n VAL 52 Ca -0.07 -0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 3isa n VAL 52 Cb 0.57 -2.12 0.04 0.00 -0.91 0.00 0.00 33.84 31.42 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 8.50 0.97 -4.41 5.55 0.11 -1.82 -3.40 132.00 137.50 3isa h PRO 53 Ca -0.46 -0.16 -0.50 0.00 0.11 0.00 0.00 66.00 64.98 3isa h PRO 53 Cb 1.22 -0.16 -0.34 0.00 0.11 0.00 0.00 31.00 31.83 3isa h PRO 53 CO 0.95 0.79 -0.81 -1.17 -0.21 0.00 0.00 178.00 177.56 3isa s LEU 54 N -9.78 1.51 -0.22 2.35 2.96 -0.68 -0.53 118.68 114.29 3isa s LEU 54 Ca -0.13 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3isa s LEU 54 Cb 0.14 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 3isa s LEU 54 CO 0.80 -0.01 0.07 -0.76 -1.32 0.00 0.00 176.35 175.13 3isa s LEU 55 N 0.89 3.62 -0.15 -0.68 1.43 -0.11 -1.09 118.68 122.59 3isa s LEU 55 Ca -0.11 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3isa s LEU 55 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3isa s LEU 55 CO 0.01 0.06 -0.00 -0.69 0.23 0.00 0.00 176.35 175.96 3isa s VAL 56 N 1.03 4.23 -0.15 -1.59 1.01 0.61 -0.78 120.40 124.76 3isa s VAL 56 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3isa s VAL 56 Cb -0.14 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3isa s VAL 56 CO 0.03 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.13 3isa s PHE 57 N 0.17 2.80 0.17 5.22 0.08 0.70 0.61 117.98 127.73 3isa s PHE 57 Ca 0.01 -0.88 -0.06 0.00 0.12 0.00 0.00 56.93 56.12 3isa s PHE 57 Cb -0.13 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3isa s PHE 57 CO 0.02 -0.38 0.22 0.00 -0.10 0.00 0.00 175.22 174.98 3isa s ALA 58 N 0.67 0.38 -0.05 5.36 0.00 -0.61 -1.61 121.76 125.90 3isa s ALA 58 Ca -0.07 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.78 3isa s ALA 58 Cb -0.16 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3isa s ALA 58 CO 0.02 -0.62 -0.22 0.20 0.00 0.00 0.00 175.76 175.14 3isa s GLY 59 N -3.02 1.15 0.64 0.00 0.00 -1.26 -0.82 107.32 104.01 3isa s GLY 59 Ca 0.23 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 3isa s GLY 59 CO 0.03 -0.58 1.09 0.00 0.00 0.00 0.00 173.10 173.64 3isa s ALA 60 N -0.15 2.57 0.00 3.20 0.00 0.08 -4.74 121.76 122.73 3isa s ALA 60 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3isa s ALA 60 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3isa s ALA 60 CO 0.03 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3isa n GLY 61 N -0.77 0.31 0.03 0.00 0.00 -1.26 -4.21 105.19 99.28 3isa n GLY 61 Ca 0.10 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 10.35 0.09 -4.02 1.61 1.74 -1.26 -4.97 116.66 120.20 3isa n ARG 62 Ca 0.00 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 56.86 3isa n ARG 62 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 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 -1.41 -1.12 -0.03 0.55 6.94 -1.26 -3.46 115.26 115.47 3isa n ASN 63 Ca 0.06 -2.96 -0.01 0.00 -0.02 0.00 0.00 54.58 51.65 3isa n ASN 63 Cb 0.34 2.21 -0.00 0.00 -2.36 0.00 0.00 39.78 39.96 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 2.01 0.00 -1.71 -2.53 3.57 -1.78 -3.37 116.94 113.13 3isa h PHE 64 Ca -0.25 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.29 3isa h PHE 64 Cb 1.17 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.66 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 -4.52 -0.55 0.00 0.41 0.15 -1.26 -4.38 113.70 103.55 3isa s SER 65 Ca -0.02 1.03 0.10 0.00 0.70 0.00 0.00 55.95 57.76 3isa s SER 65 Cb 0.00 1.07 0.37 0.00 -1.71 0.00 0.00 66.02 65.75 3isa s SER 65 CO 0.03 -0.18 1.27 0.00 1.20 0.00 0.00 173.24 175.56 3isa n ALA 66 N 2.55 2.49 -0.11 5.45 0.00 -0.18 -1.78 120.51 128.93 3isa n ALA 66 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.93 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 0.88 -0.43 3.63 0.00 0.00 -1.00 -4.39 105.19 103.88 3isa n GLY 67 Ca 0.09 -1.10 -0.52 0.00 0.00 0.00 0.00 46.02 44.50 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 1.81 -2.37 1.61 7.35 -1.26 0.56 117.46 125.16 3isa n PHE 68 Ca 0.00 0.51 -0.42 0.00 -0.76 0.00 0.00 57.45 56.78 3isa n PHE 68 Cb 0.00 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 37.39 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 1.42 6.12 0.00 -2.13 -1.08 -0.75 -4.62 116.67 115.63 3isa s ASP 69 Ca 0.87 0.36 0.29 0.00 -0.52 0.00 0.00 52.55 53.55 3isa s ASP 69 Cb -0.91 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 39.37 3isa s ASP 69 CO 0.49 -1.71 1.94 0.49 0.52 0.00 0.00 175.17 176.90 3isa n PHE 70 N 9.62 0.00 -1.67 -5.34 3.72 -1.26 -4.80 117.46 117.73 3isa n PHE 70 Ca 0.13 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 57.04 3isa n PHE 70 Cb 0.49 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.80 0.29 -2.25 4.37 -1.04 -1.26 -2.00 114.28 111.59 3isa n THR 71 Ca 0.17 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 3isa n THR 71 Cb 0.25 -1.57 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 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 4.94 -5.59 0.23 8.00 8.00 -1.26 -4.87 116.55 126.01 3isa n ASP 72 Ca 0.21 0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.87 3isa n ASP 72 Cb 0.26 -4.71 0.53 0.00 -0.02 0.00 0.00 41.12 37.18 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 -0.20 1.24 -0.00 -1.71 -2.78 116.97 113.52 3isa h TYR 73 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.28 3isa h TYR 73 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 3isa h TYR 73 CO 0.58 0.16 0.13 0.93 -0.00 0.00 0.00 178.16 179.96 3isa h GLU 74 N 0.00 0.22 -0.18 0.10 4.39 -1.89 -1.82 114.58 115.39 3isa h GLU 74 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3isa h GLU 74 Cb 0.30 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3isa h GLU 74 CO 0.02 0.14 0.00 0.25 -1.16 0.00 0.00 179.01 178.26 3isa n THR 75 N -4.51 0.22 -4.02 1.13 -2.24 -1.05 -4.87 114.28 98.95 3isa n THR 75 Ca 0.00 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 3isa n THR 75 Cb 0.11 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.78 3.10 0.80 -0.78 -0.21 -0.69 -5.11 119.66 114.99 3isa s GLN 76 Ca 0.34 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 3isa s GLN 76 Cb 0.20 -2.86 0.07 0.00 1.00 0.00 0.00 33.01 31.42 3isa s GLN 76 CO 0.29 0.60 1.14 -1.54 -2.12 0.00 0.00 175.29 173.67 3isa s SER 77 N -2.24 4.61 0.26 5.90 1.04 -1.26 -4.88 113.70 117.13 3isa s SER 77 Ca 0.29 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 3isa s SER 77 Cb -0.12 -1.56 0.48 0.00 0.10 0.00 0.00 66.02 64.92 3isa s SER 77 CO 0.21 -1.86 1.82 -0.33 0.98 0.00 0.00 173.24 174.06 3isa h GLU 78 N -1.02 0.84 -0.18 4.02 5.08 -1.99 -1.98 114.58 119.35 3isa h GLU 78 Ca -0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3isa h GLU 78 Cb 1.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3isa h GLU 78 CO 0.64 0.56 0.08 0.78 -1.00 0.00 0.00 179.01 180.07 3isa h GLY 79 N 0.87 0.29 0.32 -3.84 0.00 -1.96 -1.74 103.07 97.00 3isa h GLY 79 Ca 0.45 -0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.74 3isa h GLY 79 CO -0.27 0.14 0.24 -0.55 0.00 0.00 0.00 176.54 176.10 3isa h ASP 80 N 0.15 0.23 -0.36 0.19 3.32 -1.80 -0.42 116.42 117.72 3isa h ASP 80 Ca 0.06 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3isa h ASP 80 Cb 0.15 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3isa h ASP 80 CO -0.01 0.12 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.28 3isa h LEU 81 N 0.41 0.87 -0.17 1.55 3.38 -1.22 -2.27 115.31 117.88 3isa h LEU 81 Ca 0.33 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3isa h LEU 81 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3isa h LEU 81 CO -0.34 1.13 0.02 0.25 0.09 0.00 0.00 178.44 179.60 3isa h LEU 82 N 0.62 -0.02 -0.50 1.67 5.85 -0.93 -1.61 115.31 120.41 3isa h LEU 82 Ca 0.07 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3isa h LEU 82 Cb 0.86 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3isa h LEU 82 CO 0.07 0.02 0.21 0.25 -0.34 0.00 0.00 178.44 178.65 3isa h LEU 83 N 0.09 0.27 -0.89 2.25 5.85 -1.00 0.12 115.31 121.99 3isa h LEU 83 Ca 0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3isa h LEU 83 Cb 0.08 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3isa h LEU 83 CO -0.11 0.19 0.43 0.03 -0.34 0.00 0.00 178.44 178.64 3isa h ARG 84 N 0.42 1.23 -0.49 1.25 3.08 -1.18 0.17 114.38 118.86 3isa h ARG 84 Ca 0.23 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3isa h ARG 84 Cb 0.20 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3isa h ARG 84 CO -0.20 0.93 -0.08 0.52 -1.07 0.00 0.00 179.97 180.07 3isa h MET 85 N 1.22 0.92 -0.48 0.04 2.86 -0.83 -1.50 114.93 117.16 3isa h MET 85 Ca 0.30 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3isa h MET 85 Cb 0.09 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3isa h MET 85 CO -0.04 0.99 0.30 0.28 1.06 0.00 0.00 176.91 179.50 3isa h VAL 86 N 0.77 1.14 -0.66 -2.22 2.07 -0.62 -0.76 116.25 115.98 3isa h VAL 86 Ca 0.13 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3isa h VAL 86 Cb 0.63 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3isa h VAL 86 CO 0.04 0.14 0.18 0.03 0.02 0.00 0.00 177.57 177.98 3isa h ARG 87 N 0.64 1.02 -0.07 1.57 2.47 -0.92 0.67 114.38 119.76 3isa h ARG 87 Ca 0.17 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3isa h ARG 87 Cb -0.04 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.11 3isa h ARG 87 CO -0.03 0.89 -0.07 0.82 0.56 0.00 0.00 179.97 182.13 3isa h ILE 88 N 0.98 0.79 -0.58 2.04 2.04 -0.97 -0.41 117.51 121.39 3isa h ILE 88 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 3isa h ILE 88 Cb 0.32 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3isa h ILE 88 CO -0.00 0.00 0.22 -0.08 0.00 0.00 0.00 178.15 178.29 3isa h GLU 89 N -0.10 0.85 -0.69 2.37 4.57 -0.60 0.21 114.58 121.19 3isa h GLU 89 Ca 0.05 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3isa h GLU 89 Cb 0.17 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3isa h GLU 89 CO -0.13 0.71 0.34 0.52 -1.18 0.00 0.00 179.01 179.26 3isa h MET 90 N 0.84 0.99 -0.19 1.92 2.86 -0.64 -1.16 114.93 119.55 3isa h MET 90 Ca 0.20 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3isa h MET 90 Cb 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3isa h MET 90 CO -0.02 0.78 0.13 1.25 1.06 0.00 0.00 176.91 180.11 3isa h LEU 91 N 0.96 0.23 -1.04 1.22 5.85 -0.35 -1.95 115.31 120.22 3isa h LEU 91 Ca 0.24 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3isa h LEU 91 Cb 0.11 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3isa h LEU 91 CO -0.03 0.17 0.56 -0.07 -0.34 0.00 0.00 178.44 178.73 3isa h LEU 92 N 0.26 1.07 -0.68 2.25 3.38 -0.65 -1.00 115.31 119.95 3isa h LEU 92 Ca 0.07 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3isa h LEU 92 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3isa h LEU 92 CO -0.02 0.81 -0.26 1.56 0.09 0.00 0.00 178.44 180.62 3isa h GLN 93 N 1.24 0.74 -0.49 1.13 4.20 -1.06 0.17 115.11 121.04 3isa h GLN 93 Ca 0.33 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3isa h GLN 93 Cb -0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3isa h GLN 93 CO -0.06 0.93 0.18 0.00 -0.67 0.00 0.00 178.83 179.20 3isa h ARG 94 N 0.64 0.75 -0.08 1.46 3.08 -0.69 -0.80 114.38 118.74 3isa h ARG 94 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3isa h ARG 94 Cb 0.77 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3isa h ARG 94 CO 0.06 0.68 -0.01 0.28 -1.07 0.00 0.00 179.97 179.91 3isa h VAL 95 N 0.66 1.28 -0.78 2.04 2.07 -1.02 -2.72 116.25 117.77 3isa h VAL 95 Ca 0.16 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3isa h VAL 95 Cb 0.23 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3isa h VAL 95 CO -0.01 0.25 0.49 0.00 0.02 0.00 0.00 177.57 178.31 3isa h ALA 96 N 0.69 1.05 -0.43 1.67 0.00 -0.59 -2.48 119.26 119.17 3isa h ALA 96 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3isa h ALA 96 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3isa h ALA 96 CO 0.01 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.92 3isa n GLY 97 N -1.31 2.45 3.76 0.00 0.00 -0.31 -5.00 105.19 104.77 3isa n GLY 97 Ca 0.10 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.62 6.60 0.57 1.61 0.15 -0.94 -4.90 113.70 116.17 3isa s SER 98 Ca 0.39 2.76 0.35 0.00 0.70 0.00 0.00 55.95 60.15 3isa s SER 98 Cb 0.29 -2.64 1.63 0.00 -1.71 0.00 0.00 66.02 63.59 3isa s SER 98 CO 0.13 -0.72 2.09 -0.65 1.20 0.00 0.00 173.24 175.29 3isa h PRO 99 N 4.39 0.00 -7.06 5.44 0.11 -1.90 -3.44 132.00 129.54 3isa h PRO 99 Ca -0.47 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.18 3isa h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3isa h PRO 99 CO 0.73 0.03 0.36 -1.12 -0.21 0.00 0.00 178.00 177.80 3isa s SER 100 N -5.65 6.64 0.48 -2.05 0.01 -1.26 -4.17 113.70 107.70 3isa s SER 100 Ca -0.01 1.82 -0.24 0.00 1.31 0.00 0.00 55.95 58.83 3isa s SER 100 Cb 0.11 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3isa s SER 100 CO 0.52 -0.57 1.30 -0.22 0.41 0.00 0.00 173.24 174.68 3isa s LEU 101 N -3.30 4.02 -0.02 2.44 2.96 0.31 -4.87 118.68 120.22 3isa s LEU 101 Ca 0.64 2.63 0.05 0.00 -0.22 0.00 0.00 54.13 57.23 3isa s LEU 101 Cb -0.13 -4.13 -0.01 0.00 0.50 0.00 0.00 46.19 42.42 3isa s LEU 101 CO 0.17 -1.16 -0.18 0.42 -1.32 0.00 0.00 176.35 174.28 3isa s THR 102 N -1.35 1.40 -0.05 3.68 -4.23 -1.26 -0.94 115.64 112.89 3isa s THR 102 Ca 0.64 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 3isa s THR 102 Cb -0.37 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.33 3isa s THR 102 CO 0.45 0.40 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.64 3isa s LEU 103 N -0.39 1.43 0.04 4.79 2.96 0.04 -1.15 118.68 126.40 3isa s LEU 103 Ca 0.06 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 3isa s LEU 103 Cb -0.07 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 3isa s LEU 103 CO -0.01 -0.03 -0.26 0.00 -1.32 0.00 0.00 176.35 174.74 3isa s ALA 104 N 0.86 2.24 -0.24 5.97 0.00 -0.06 -0.21 121.76 130.30 3isa s ALA 104 Ca -0.12 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 3isa s ALA 104 Cb -0.15 -0.48 0.07 0.00 0.00 0.00 0.00 23.12 22.57 3isa s ALA 104 CO 0.01 0.53 0.04 -0.51 0.00 0.00 0.00 175.76 175.83 3isa s LEU 105 N -1.18 1.84 0.06 0.00 1.43 -0.63 -1.95 118.68 118.25 3isa s LEU 105 Ca 0.12 -1.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 3isa s LEU 105 Cb -0.10 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3isa s LEU 105 CO 0.02 -0.33 0.05 0.00 0.23 0.00 0.00 176.35 176.31 3isa s ALA 106 N 1.68 3.45 0.18 4.21 0.00 -0.50 -4.38 121.76 126.40 3isa s ALA 106 Ca 0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 3isa s ALA 106 Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3isa s ALA 106 CO -0.14 0.72 0.31 -3.38 0.00 0.00 0.00 175.76 173.27 3isa s HIS 107 N -1.30 0.39 0.00 0.00 -3.43 -1.26 -1.86 115.29 107.83 3isa s HIS 107 Ca 0.26 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 3isa s HIS 107 Cb -0.12 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 3isa s HIS 107 CO 0.18 -0.76 0.00 0.41 -2.00 0.00 0.00 174.74 172.57 3isa n GLY 108 N -0.24 0.04 3.61 -1.38 0.00 -1.22 -2.54 105.19 103.45 3isa n GLY 108 Ca -0.07 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 4.03 0.03 1.61 1.81 -1.26 -1.24 118.95 123.93 3isa s ARG 109 Ca 0.00 0.09 0.09 0.00 -1.72 0.00 0.00 55.73 54.19 3isa s ARG 109 Cb 0.00 -3.65 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 3isa s ARG 109 CO 0.00 -0.29 -0.25 -0.80 -0.68 0.00 0.00 175.30 173.28 3isa s ASN 110 N 1.61 2.98 0.01 0.23 0.01 -0.40 -4.60 114.94 114.78 3isa s ASN 110 Ca 0.16 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3isa s ASN 110 Cb -0.16 -0.28 -0.01 0.00 0.41 0.00 0.00 41.25 41.21 3isa s ASN 110 CO 0.10 0.25 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.54 3isa s PHE 111 N -0.75 0.38 0.00 2.20 0.08 -0.73 -1.31 117.98 117.84 3isa s PHE 111 Ca 0.10 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3isa s PHE 111 Cb -0.10 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3isa s PHE 111 CO 0.01 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 3isa n GLY 112 N 2.37 3.40 0.34 4.36 0.00 0.37 -1.32 105.19 114.70 3isa n GLY 112 Ca -0.17 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.71 1.86 -0.17 4.61 0.00 -1.90 0.37 119.26 123.32 3isa h ALA 113 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3isa h ALA 113 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 113 CO 0.00 -0.30 0.05 0.78 0.00 0.00 0.00 179.25 179.78 3isa h GLY 114 N 0.00 0.20 1.32 0.00 0.00 -1.41 0.41 103.07 103.59 3isa h GLY 114 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3isa h GLY 114 CO -0.00 0.02 0.03 -2.08 0.00 0.00 0.00 176.54 174.51 3isa h VAL 115 N 0.13 1.24 -0.38 4.60 2.07 -0.95 -2.56 116.25 120.40 3isa h VAL 115 Ca 0.07 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 3isa h VAL 115 Cb 0.05 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3isa h VAL 115 CO -0.08 0.35 -0.12 0.44 0.02 0.00 0.00 177.57 178.18 3isa h ASP 116 N 0.78 0.67 -0.36 0.57 3.32 -0.93 0.15 116.42 120.62 3isa h ASP 116 Ca 0.16 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3isa h ASP 116 Cb 0.42 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3isa h ASP 116 CO 0.02 0.82 0.14 0.25 -1.72 0.00 0.00 179.24 178.75 3isa h LEU 117 N 0.62 0.50 -0.31 1.55 5.85 -0.79 -0.18 115.31 122.56 3isa h LEU 117 Ca 0.11 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3isa h LEU 117 Cb 0.57 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3isa h LEU 117 CO 0.04 0.54 -0.04 0.15 -0.34 0.00 0.00 178.44 178.78 3isa h PHE 118 N 0.44 -0.09 -0.58 1.25 3.57 -1.20 -2.80 116.94 117.52 3isa h PHE 118 Ca 0.12 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3isa h PHE 118 Cb 0.19 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3isa h PHE 118 CO -0.00 -0.10 0.38 0.00 -2.23 0.00 0.00 178.31 176.36 3isa h ALA 119 N 1.29 1.66 0.00 2.41 0.00 -0.52 -2.24 119.26 121.86 3isa h ALA 119 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3isa h ALA 119 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3isa h ALA 119 CO -0.29 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.25 3isa h ALA 120 N 1.66 1.02 -2.49 0.00 0.00 -0.76 -3.43 119.26 115.25 3isa h ALA 120 Ca 0.22 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.62 3isa h ALA 120 Cb 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3isa h ALA 120 CO -0.06 0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.33 3isa h LYS 122 N 3.23 0.34 -4.99 0.00 1.79 -1.73 -3.42 116.57 111.80 3isa h LYS 122 Ca -0.48 -0.50 -0.63 0.00 -2.18 0.00 0.00 60.65 56.86 3isa h LYS 122 Cb 1.19 0.17 -0.16 0.00 -1.58 0.00 0.00 32.23 31.85 3isa h LYS 122 CO 0.65 1.20 -0.46 -1.58 -1.08 0.00 0.00 179.45 178.18 3isa s TRP 123 N -2.69 3.24 -0.11 -1.35 0.52 -0.30 -5.02 118.94 113.23 3isa s TRP 123 Ca -0.13 0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.19 3isa s TRP 123 Cb 0.02 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 29.96 3isa s TRP 123 CO 0.83 -0.13 -0.11 1.03 0.02 0.00 0.00 176.95 178.60 3isa s ARG 124 N 1.67 1.78 0.08 4.98 0.52 -1.26 -0.89 118.95 125.84 3isa s ARG 124 Ca 0.09 -0.38 0.05 0.00 -0.52 0.00 0.00 55.73 54.97 3isa s ARG 124 Cb -0.15 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 3isa s ARG 124 CO 0.10 -0.18 -0.14 0.71 0.02 0.00 0.00 175.30 175.81 3isa s TYR 125 N 1.37 1.26 0.12 -0.53 2.02 -0.82 0.21 117.35 120.98 3isa s TYR 125 Ca -0.00 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 3isa s TYR 125 Cb -0.14 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 3isa s TYR 125 CO -0.06 0.07 0.11 0.00 -1.57 0.00 0.00 175.55 174.11 3isa s THR 127 N -3.99 3.23 0.63 0.00 -4.23 -0.77 -0.13 115.64 110.38 3isa s THR 127 Ca 0.18 0.71 0.35 0.00 -1.18 0.00 0.00 61.69 61.75 3isa s THR 127 Cb 0.06 -3.26 0.38 0.00 1.34 0.00 0.00 72.50 71.02 3isa s THR 127 CO -0.02 -0.21 2.18 -0.65 -0.54 0.00 0.00 174.62 175.38 3isa h PRO 128 N 0.94 0.00 -0.02 3.99 0.11 -1.92 -1.50 132.00 133.60 3isa h PRO 128 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3isa h PRO 128 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3isa h PRO 128 CO 0.56 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3isa n GLU 129 N -3.39 1.88 -2.03 1.05 4.71 -1.26 -4.49 120.64 117.12 3isa n GLU 129 Ca -0.01 -1.29 -0.34 0.00 -0.01 0.00 0.00 57.16 55.51 3isa n GLU 129 Cb 0.22 -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 -2.01 2.61 0.04 0.62 0.00 -0.57 -4.65 121.76 117.81 3isa s ALA 130 Ca 0.34 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3isa s ALA 130 Cb 0.21 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3isa s ALA 130 CO 0.33 -0.97 -0.05 0.20 0.00 0.00 0.00 175.76 175.27 3isa s GLY 131 N -2.27 0.44 0.00 0.00 0.00 -0.37 -2.07 107.32 103.04 3isa s GLY 131 Ca 0.69 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3isa s GLY 131 CO 0.34 -0.99 -0.00 -1.36 0.00 0.00 0.00 173.10 171.09 3isa s PHE 132 N -2.43 0.03 -0.13 1.90 0.08 -0.14 -1.28 117.98 116.01 3isa s PHE 132 Ca -0.04 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 3isa s PHE 132 Cb -0.03 -0.02 0.04 0.00 -0.57 0.00 0.00 43.02 42.44 3isa s PHE 132 CO -0.04 -0.01 0.33 0.50 -0.10 0.00 0.00 175.22 175.90 3isa s ARG 133 N -0.11 0.33 -0.54 0.44 3.52 -0.43 -0.42 118.95 121.75 3isa s ARG 133 Ca -0.01 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.18 3isa s ARG 133 Cb -0.01 0.04 0.14 0.00 -1.56 0.00 0.00 34.95 33.56 3isa s ARG 133 CO -0.00 -0.11 0.29 -1.64 -0.81 0.00 0.00 175.30 173.03 3isa s MET 134 N 0.81 2.09 0.00 5.12 -1.94 -1.26 -0.48 119.30 123.64 3isa s MET 134 Ca -0.05 -2.57 0.22 0.00 -1.71 0.00 0.00 55.69 51.58 3isa s MET 134 Cb -0.06 -3.41 0.61 0.00 2.01 0.00 0.00 34.83 33.98 3isa s MET 134 CO -0.06 -1.12 1.49 -0.35 -0.01 0.00 0.00 175.02 174.97 3isa n PRO 135 N 3.24 2.03 0.26 2.03 -0.04 -1.26 -4.63 135.00 136.64 3isa n PRO 135 Ca 0.06 -1.55 0.09 0.00 -0.04 0.00 0.00 63.50 62.06 3isa n PRO 135 Cb 0.34 -1.44 0.68 0.00 -0.04 0.00 0.00 33.50 33.04 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 4.83 0.00 1.83 0.55 0.00 -1.93 -0.92 103.07 107.43 3isa h GLY 136 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3isa h GLY 136 CO 0.00 0.00 0.07 1.41 0.00 0.00 0.00 176.54 178.02 3isa h LEU 137 N 0.00 0.00 -2.53 3.11 3.38 -1.80 0.64 115.31 118.11 3isa h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3isa h LEU 137 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3isa h LEU 137 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.65 3isa h LYS 138 N 0.00 0.00 -0.09 1.13 1.79 -1.49 -0.76 116.57 117.15 3isa h LYS 138 Ca 0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3isa h LYS 138 Cb 0.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3isa h LYS 138 CO -0.00 0.00 -0.07 1.97 -1.08 0.00 0.00 179.45 180.27 3isa n PHE 139 N -3.76 0.30 -0.66 -1.35 1.16 -0.11 -4.85 117.46 108.19 3isa n PHE 139 Ca -0.03 -1.09 0.00 0.00 -1.87 0.00 0.00 57.45 54.46 3isa n PHE 139 Cb 0.08 -0.23 0.00 0.00 -1.61 0.00 0.00 39.48 37.72 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 -1.16 0.80 3.71 4.97 0.00 -0.29 -4.71 105.19 108.50 3isa n GLY 140 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.35 -0.65 0.99 2.96 0.03 -4.71 118.68 121.64 3isa s LEU 141 Ca 0.00 2.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.92 3isa s LEU 141 Cb 0.00 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.28 3isa s LEU 141 CO 0.00 -0.55 0.46 -0.69 -1.32 0.00 0.00 176.35 174.25 3isa s VAL 142 N 1.45 3.72 -0.08 1.68 1.01 -1.26 -3.05 120.40 123.87 3isa s VAL 142 Ca 0.60 -3.07 0.00 0.00 0.00 0.00 0.00 61.98 59.51 3isa s VAL 142 Cb -0.30 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3isa s VAL 142 CO 0.28 -0.89 -0.07 -0.22 0.00 0.00 0.00 175.10 174.19 3isa s LEU 143 N -0.20 1.27 0.00 3.92 2.96 -1.26 -3.34 118.68 122.02 3isa s LEU 143 Ca 0.18 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3isa s LEU 143 Cb -0.19 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.77 3isa s LEU 143 CO -0.04 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 3isa n GLY 144 N 4.51 0.50 0.22 7.98 0.00 -1.26 -4.93 105.19 112.21 3isa n GLY 144 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.65 -0.29 2.61 2.02 -1.97 -0.12 112.91 115.82 3isa h THR 145 Ca 0.00 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3isa h THR 145 Cb 0.16 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3isa h THR 145 CO 0.00 0.02 -0.33 0.03 0.37 0.00 0.00 175.52 175.61 3isa h ARG 146 N -0.55 0.62 -0.70 6.66 3.08 -1.98 -1.13 114.38 120.38 3isa h ARG 146 Ca -0.05 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 3isa h ARG 146 Cb 0.41 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3isa h ARG 146 CO 0.08 0.87 0.28 0.00 -1.07 0.00 0.00 179.97 180.12 3isa h ARG 147 N 0.52 1.05 -0.56 0.04 3.08 -1.94 0.20 114.38 116.78 3isa h ARG 147 Ca 0.06 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3isa h ARG 147 Cb 0.82 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3isa h ARG 147 CO 0.07 0.87 0.08 0.35 -1.07 0.00 0.00 179.97 180.27 3isa h PHE 148 N 1.01 1.00 -0.54 3.04 3.57 -0.78 -2.80 116.94 121.43 3isa h PHE 148 Ca 0.23 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3isa h PHE 148 Cb 0.22 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 3isa h PHE 148 CO 0.02 0.88 0.17 -0.09 -2.23 0.00 0.00 178.31 177.06 3isa h ARG 149 N 0.83 0.33 -0.11 1.11 2.43 -0.87 -2.01 114.38 116.08 3isa h ARG 149 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3isa h ARG 149 Cb 0.43 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3isa h ARG 149 CO 0.01 0.22 0.08 -0.44 -1.51 0.00 0.00 179.97 178.32 3isa h ASP 150 N 0.34 0.13 0.03 -3.80 3.32 -0.74 0.33 116.42 116.03 3isa h ASP 150 Ca 0.27 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3isa h ASP 150 Cb 0.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3isa h ASP 150 CO -0.29 0.09 -0.01 0.40 -1.72 0.00 0.00 179.24 177.71 3isa h ILE 151 N 0.15 0.77 -0.01 0.35 2.04 -1.20 -3.41 117.51 116.22 3isa h ILE 151 Ca 0.04 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3isa h ILE 151 Cb -0.02 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3isa h ILE 151 CO -0.01 0.25 -0.76 1.33 0.00 0.00 0.00 178.15 178.96 3isa n VAL 152 N -4.74 0.00 0.00 1.67 0.24 -0.80 -4.86 118.33 109.84 3isa n VAL 152 Ca -0.05 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3isa n VAL 152 Cb 0.21 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.46 -0.02 0.34 7.63 0.00 0.12 -4.34 105.19 110.38 3isa n GLY 153 Ca 0.06 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 1.60 0.57 4.61 0.00 -1.95 -1.18 119.26 122.92 3isa h ALA 154 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3isa h ALA 154 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3isa h ALA 154 CO 0.00 0.33 -0.28 0.22 0.00 0.00 0.00 179.25 179.53 3isa h ASP 155 N 0.83 -0.65 -0.27 0.00 3.58 -1.95 -1.04 116.42 116.92 3isa h ASP 155 Ca 0.27 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 3isa h ASP 155 Cb 0.04 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3isa h ASP 155 CO -0.07 -0.46 -0.03 1.56 -2.88 0.00 0.00 179.24 177.36 3isa h GLN 156 N -0.78 0.62 -0.53 0.28 1.08 -1.71 -1.66 115.11 112.41 3isa h GLN 156 Ca -0.08 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 56.91 3isa h GLN 156 Cb 0.60 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3isa h GLN 156 CO 0.13 0.67 0.14 0.00 -0.95 0.00 0.00 178.83 178.81 3isa h ALA 157 N 1.38 0.69 -0.38 3.87 0.00 -1.17 -1.17 119.26 122.48 3isa h ALA 157 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3isa h ALA 157 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3isa h ALA 157 CO 0.02 0.38 0.16 1.25 0.00 0.00 0.00 179.25 181.06 3isa h LEU 158 N 0.73 0.52 -0.23 0.00 5.85 -0.95 0.29 115.31 121.53 3isa h LEU 158 Ca 0.17 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3isa h LEU 158 Cb 0.32 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3isa h LEU 158 CO -0.00 0.53 -0.07 0.28 -0.34 0.00 0.00 178.44 178.84 3isa h SER 159 N 0.47 -0.26 0.00 1.25 0.02 -1.13 0.13 113.55 114.03 3isa h SER 159 Ca 0.13 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3isa h SER 159 Cb 0.17 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3isa h SER 159 CO -0.01 -0.10 -0.00 0.40 -1.14 0.00 0.00 176.83 175.98 3isa h ILE 160 N -0.02 1.70 -0.12 3.27 2.04 -1.06 -3.32 117.51 119.99 3isa h ILE 160 Ca 0.11 -2.05 -0.23 0.00 1.00 0.00 0.00 64.86 63.70 3isa h ILE 160 Cb 0.20 3.09 0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3isa h ILE 160 CO -0.25 0.53 -0.82 -0.07 0.00 0.00 0.00 178.15 177.54 3isa h LEU 161 N -0.87 0.90 -1.86 1.44 3.38 -0.47 -2.00 115.31 115.83 3isa h LEU 161 Ca -0.00 -0.61 0.12 0.00 0.09 0.00 0.00 57.88 57.48 3isa h LEU 161 Cb 0.87 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3isa h LEU 161 CO 0.00 1.41 0.35 1.23 0.09 0.00 0.00 178.44 181.51 3isa h GLY 162 N 0.62 0.23 -0.97 0.83 0.00 -0.85 -0.19 103.07 102.74 3isa h GLY 162 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3isa h GLY 162 CO 0.17 0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.60 3isa n SER 163 N -4.44 2.84 -4.23 0.19 3.41 -1.24 -5.00 113.62 105.16 3isa n SER 163 Ca 0.08 -2.23 -0.30 0.00 -0.26 0.00 0.00 58.87 56.17 3isa n SER 163 Cb 0.46 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.01 -2.02 -2.87 7.33 0.00 -0.08 -4.92 120.51 117.96 3isa n ALA 164 Ca 0.11 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 3isa n ALA 164 Cb 0.48 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 -7.19 3.15 0.59 0.00 1.70 -0.79 -4.56 118.95 111.85 3isa s ARG 165 Ca 0.01 -0.80 -0.16 0.00 -0.47 0.00 0.00 55.73 54.30 3isa s ARG 165 Cb -0.00 -2.76 -0.04 0.00 -0.57 0.00 0.00 34.95 31.57 3isa s ARG 165 CO 0.97 0.47 1.07 0.00 -1.08 0.00 0.00 175.30 176.74 3isa s ALA 166 N -1.84 2.70 -0.00 7.88 0.00 -1.26 -4.42 121.76 124.81 3isa s ALA 166 Ca 0.33 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 3isa s ALA 166 Cb -0.10 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3isa s ALA 166 CO 0.26 -0.85 0.05 -0.59 0.00 0.00 0.00 175.76 174.63 3isa s PHE 167 N -2.33 0.08 0.63 0.00 -0.12 0.44 -4.99 117.98 111.69 3isa s PHE 167 Ca 0.65 -0.17 0.05 0.00 -0.05 0.00 0.00 56.93 57.41 3isa s PHE 167 Cb -0.17 -0.07 0.10 0.00 -0.63 0.00 0.00 43.02 42.24 3isa s PHE 167 CO 0.35 -0.15 0.87 0.16 -0.05 0.00 0.00 175.22 176.40 3isa s ASP 168 N -0.87 4.81 0.24 1.98 -4.77 -1.26 -0.97 116.67 115.84 3isa s ASP 168 Ca -0.10 -0.58 -0.04 0.00 -3.30 0.00 0.00 52.55 48.54 3isa s ASP 168 Cb -0.06 0.05 0.42 0.00 -1.09 0.00 0.00 42.92 42.24 3isa s ASP 168 CO 0.00 -1.53 1.78 0.00 0.70 0.00 0.00 175.17 176.12 3isa h ALA 169 N -0.11 1.12 -0.11 2.11 0.00 -1.64 0.15 119.26 120.78 3isa h ALA 169 Ca -0.34 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3isa h ALA 169 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3isa h ALA 169 CO 0.41 -0.03 0.06 -0.44 0.00 0.00 0.00 179.25 179.25 3isa h ASP 170 N 0.65 0.14 -0.36 0.00 3.32 -1.89 -0.25 116.42 118.02 3isa h ASP 170 Ca 0.40 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3isa h ASP 170 Cb 0.47 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3isa h ASP 170 CO -0.30 0.19 0.19 -0.08 -1.72 0.00 0.00 179.24 177.51 3isa h GLU 171 N 0.08 0.51 -0.89 3.56 4.81 -1.87 -1.41 114.58 119.37 3isa h GLU 171 Ca 0.04 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3isa h GLU 171 Cb 0.08 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 3isa h GLU 171 CO -0.01 0.44 0.51 0.00 -0.73 0.00 0.00 179.01 179.22 3isa h ALA 172 N 1.04 1.31 -0.13 2.92 0.00 -0.52 -1.55 119.26 122.33 3isa h ALA 172 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3isa h ALA 172 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3isa h ALA 172 CO -0.02 0.07 0.02 -0.09 0.00 0.00 0.00 179.25 179.23 3isa h ARG 173 N 0.80 0.22 -0.42 0.00 2.43 -0.77 0.14 114.38 116.78 3isa h ARG 173 Ca 0.45 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 3isa h ARG 173 Cb 0.50 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 3isa h ARG 173 CO -0.29 0.42 -0.20 0.00 -1.51 0.00 0.00 179.97 178.40 3isa h ARG 174 N -0.01 -0.11 -0.00 0.20 3.08 -0.74 -2.32 114.38 114.47 3isa h ARG 174 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3isa h ARG 174 Cb 0.31 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3isa h ARG 174 CO 0.00 -0.07 -0.01 0.44 -1.07 0.00 0.00 179.97 179.26 3isa n ILE 175 N -5.38 0.00 -0.92 2.04 -5.35 -0.63 -4.90 119.36 104.21 3isa n ILE 175 Ca 0.03 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3isa n ILE 175 Cb 0.29 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 1.08 0.48 0.15 3.28 0.00 -0.87 -4.46 105.19 104.84 3isa n GLY 176 Ca 0.22 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 0.13 -4.01 1.61 3.57 -0.95 -3.44 116.94 113.84 3isa h PHE 177 Ca 0.00 -0.05 -0.65 0.00 3.53 0.00 0.00 57.97 60.80 3isa h PHE 177 Cb 0.00 -0.02 -0.23 0.00 2.79 0.00 0.00 35.95 38.49 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 -3.69 2.05 0.12 1.41 -7.23 -0.99 -4.81 120.40 107.26 3isa s VAL 178 Ca -0.02 -1.59 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 3isa s VAL 178 Cb 0.12 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3isa s VAL 178 CO 0.78 0.12 1.62 0.03 -0.31 0.00 0.00 175.10 177.33 3isa h ARG 179 N 4.19 0.61 -2.25 4.82 3.08 -0.53 -3.41 114.38 120.89 3isa h ARG 179 Ca -0.48 -0.15 0.17 0.00 0.07 0.00 0.00 59.98 59.59 3isa h ARG 179 Cb 1.17 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 3isa h ARG 179 CO 0.40 0.64 0.52 0.34 -1.07 0.00 0.00 179.97 180.80 3isa s ASP 180 N -5.97 -0.21 0.09 7.04 -1.08 -1.25 -5.06 116.67 110.22 3isa s ASP 180 Ca -0.13 -0.28 -0.13 0.00 -0.52 0.00 0.00 52.55 51.49 3isa s ASP 180 Cb 0.10 0.43 -0.06 0.00 -1.46 0.00 0.00 42.92 41.93 3isa s ASP 180 CO 0.76 -0.78 0.47 0.00 0.52 0.00 0.00 175.17 176.14 3isa s ALA 182 N -1.33 -1.53 0.71 0.00 0.00 0.82 -4.92 121.76 115.51 3isa s ALA 182 Ca 0.32 2.03 -0.15 0.00 0.00 0.00 0.00 51.96 54.16 3isa s ALA 182 Cb -0.15 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3isa s ALA 182 CO 0.17 -0.38 1.21 0.00 0.00 0.00 0.00 175.76 176.76 3isa s ALA 183 N 1.66 2.17 0.52 0.00 0.00 -1.26 -3.53 121.76 121.32 3isa s ALA 183 Ca -0.09 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.00 3isa s ALA 183 Cb -0.07 -3.47 1.35 0.00 0.00 0.00 0.00 23.12 20.93 3isa s ALA 183 CO -0.17 -1.80 2.02 1.96 0.00 0.00 0.00 175.76 177.77 3isa h GLN 184 N -0.16 0.03 0.00 0.00 4.20 -1.98 -1.24 115.11 115.97 3isa h GLN 184 Ca -0.48 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 3isa h GLN 184 Cb 1.30 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 3isa h GLN 184 CO 0.50 0.02 -0.07 0.00 -0.67 0.00 0.00 178.83 178.61 3isa h ALA 185 N 1.77 1.53 -0.00 3.87 0.00 -2.06 -2.07 119.26 122.30 3isa h ALA 185 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3isa h ALA 185 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3isa h ALA 185 CO -0.01 0.09 -0.33 1.04 0.00 0.00 0.00 179.25 180.04 3isa n GLN 186 N -3.94 0.12 -0.12 0.00 3.00 -0.47 -4.42 117.38 111.55 3isa n GLN 186 Ca -0.03 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 3isa n GLN 186 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.90 3isa n GLN 186 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3isa h TRP 187 N 0.13 0.53 -0.84 1.08 4.06 -1.40 -2.49 115.95 117.02 3isa h TRP 187 Ca 0.00 -0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.07 3isa h TRP 187 Cb 0.49 -0.17 -0.09 0.00 -1.00 0.00 0.00 29.16 28.39 3isa h TRP 187 CO 0.00 0.42 0.45 -1.35 -3.56 0.00 0.00 178.44 174.39 3isa h PRO 188 N 0.49 0.64 -0.58 0.49 0.11 -1.77 -0.57 132.00 130.81 3isa h PRO 188 Ca 0.13 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 3isa h PRO 188 Cb 0.06 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 3isa h PRO 188 CO -0.02 0.43 0.13 0.00 -0.21 0.00 0.00 178.00 178.33 3isa h ALA 189 N 1.53 1.14 -0.58 -0.75 0.00 -1.81 -1.64 119.26 117.16 3isa h ALA 189 Ca 0.45 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3isa h ALA 189 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3isa h ALA 189 CO -0.33 0.58 0.10 -0.07 0.00 0.00 0.00 179.25 179.52 3isa h LEU 190 N 0.87 0.87 -0.26 0.00 3.38 -0.89 -1.00 115.31 118.28 3isa h LEU 190 Ca 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3isa h LEU 190 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3isa h LEU 190 CO 0.00 0.88 0.04 0.40 0.09 0.00 0.00 178.44 179.84 3isa h ILE 191 N 0.87 1.23 -0.75 1.22 2.04 -0.79 -0.18 117.51 121.16 3isa h ILE 191 Ca 0.18 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3isa h ILE 191 Cb 0.38 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3isa h ILE 191 CO 0.01 0.25 0.46 0.44 0.00 0.00 0.00 178.15 179.31 3isa h ASP 192 N 0.24 0.75 -0.45 1.72 3.32 -1.14 0.27 116.42 121.13 3isa h ASP 192 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3isa h ASP 192 Cb 0.34 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3isa h ASP 192 CO 0.01 0.51 0.11 0.00 -1.72 0.00 0.00 179.24 178.14 3isa h ALA 193 N 1.33 0.59 -0.74 3.45 0.00 -0.97 -1.46 119.26 121.46 3isa h ALA 193 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3isa h ALA 193 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3isa h ALA 193 CO -0.13 0.28 0.45 0.00 0.00 0.00 0.00 179.25 179.86 3isa h ALA 194 N 0.97 0.95 -0.61 0.00 0.00 -0.60 -1.40 119.26 118.56 3isa h ALA 194 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3isa h ALA 194 Cb 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 194 CO 0.00 0.41 0.35 0.00 0.00 0.00 0.00 179.25 180.01 3isa h ALA 195 N 1.24 0.78 -0.38 0.00 0.00 -0.21 0.33 119.26 121.02 3isa h ALA 195 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 195 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3isa h ALA 195 CO -0.05 0.28 0.23 1.49 0.00 0.00 0.00 179.25 181.20 3isa h GLU 196 N 0.83 0.53 -0.58 0.00 4.81 -1.08 -1.95 114.58 117.14 3isa h GLU 196 Ca 0.22 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3isa h GLU 196 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3isa h GLU 196 CO -0.04 0.40 0.23 0.00 -0.73 0.00 0.00 179.01 178.87 3isa h ALA 197 N 1.09 0.75 -0.60 2.92 0.00 -0.99 -2.53 119.26 119.91 3isa h ALA 197 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3isa h ALA 197 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3isa h ALA 197 CO -0.02 0.38 0.32 0.00 0.00 0.00 0.00 179.25 179.92 3isa h ALA 198 N 1.08 0.77 -0.05 0.00 0.00 -0.77 -2.64 119.26 117.65 3isa h ALA 198 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3isa h ALA 198 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3isa h ALA 198 CO -0.01 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.79 3isa n THR 199 N -4.56 0.05 0.29 0.00 -2.24 -0.75 -3.84 114.28 103.23 3isa n THR 199 Ca 0.04 -0.15 0.18 0.00 -2.27 0.00 0.00 64.05 61.85 3isa n THR 199 Cb 0.10 0.02 0.82 0.00 -2.10 0.00 0.00 70.33 69.17 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 4.00 1.03 -2.50 6.98 0.00 -1.06 -3.43 119.26 124.27 3isa h ALA 200 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 3isa h ALA 200 Cb 0.25 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 3isa h ALA 200 CO 0.00 0.03 -0.77 -0.51 0.00 0.00 0.00 179.25 178.01 3isa s LEU 201 N -6.33 2.52 0.69 0.00 1.43 -1.25 -5.13 118.68 110.62 3isa s LEU 201 Ca -0.01 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 3isa s LEU 201 Cb 0.11 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.42 3isa s LEU 201 CO 0.52 -0.03 1.08 1.51 0.23 0.00 0.00 176.35 179.66 3isa s ASP 202 N -3.15 5.08 0.25 2.29 1.47 -1.26 -4.74 116.67 116.61 3isa s ASP 202 Ca 0.23 1.83 -0.03 0.00 1.18 0.00 0.00 52.55 55.77 3isa s ASP 202 Cb -0.04 -2.53 0.47 0.00 -0.34 0.00 0.00 42.92 40.48 3isa s ASP 202 CO 0.10 -1.65 1.77 -0.65 0.68 0.00 0.00 175.17 175.42 3isa h PRO 203 N -0.44 0.62 -0.53 2.11 0.11 -1.94 0.63 132.00 132.56 3isa h PRO 203 Ca -0.45 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3isa h PRO 203 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3isa h PRO 203 CO 0.54 0.41 -0.10 0.00 -0.21 0.00 0.00 178.00 178.64 3isa h ALA 204 N 1.52 0.73 -0.20 -0.75 0.00 -1.99 -1.62 119.26 116.95 3isa h ALA 204 Ca 0.43 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3isa h ALA 204 Cb 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3isa h ALA 204 CO -0.33 0.63 -0.69 1.15 0.00 0.00 0.00 179.25 180.01 3isa h THR 205 N 0.88 1.28 -0.38 0.00 2.02 -1.79 -1.87 112.91 113.05 3isa h THR 205 Ca 0.14 -1.89 0.02 0.00 0.77 0.00 0.00 66.41 65.44 3isa h THR 205 Cb 0.66 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3isa h THR 205 CO 0.05 0.60 0.22 -0.09 0.37 0.00 0.00 175.52 176.67 3isa h ARG 206 N 0.57 0.43 -0.50 6.66 2.43 -0.83 0.00 114.38 123.15 3isa h ARG 206 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3isa h ARG 206 Cb 1.31 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3isa h ARG 206 CO 0.15 0.29 0.28 0.00 -1.51 0.00 0.00 179.97 179.18 3isa h ALA 207 N 1.17 0.64 -0.30 2.80 0.00 -1.21 -1.35 119.26 121.01 3isa h ALA 207 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 207 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3isa h ALA 207 CO -0.07 0.15 0.16 1.15 0.00 0.00 0.00 179.25 180.63 3isa h THR 208 N 0.66 1.13 -0.37 0.00 2.02 -1.10 -1.14 112.91 114.12 3isa h THR 208 Ca 0.18 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.05 3isa h THR 208 Cb 0.03 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3isa h THR 208 CO -0.03 0.13 0.11 0.25 0.37 0.00 0.00 175.52 176.35 3isa h LEU 209 N 0.36 0.09 -0.64 2.58 5.85 -0.76 0.46 115.31 123.24 3isa h LEU 209 Ca 0.10 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3isa h LEU 209 Cb 0.07 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3isa h LEU 209 CO -0.02 0.09 0.40 0.45 -0.34 0.00 0.00 178.44 179.02 3isa h HIS 210 N 0.25 0.84 -0.25 1.25 3.86 -1.04 -0.84 115.15 119.21 3isa h HIS 210 Ca 0.17 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3isa h HIS 210 Cb 0.17 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3isa h HIS 210 CO -0.16 0.56 0.10 -0.09 0.86 0.00 0.00 177.93 179.20 3isa h ARG 211 N 0.87 0.22 -0.58 2.45 2.43 -0.74 -2.45 114.38 116.58 3isa h ARG 211 Ca 0.23 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3isa h ARG 211 Cb -0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3isa h ARG 211 CO -0.05 0.14 -0.04 0.28 -1.51 0.00 0.00 179.97 178.79 3isa h VAL 212 N 0.22 1.27 -0.04 0.20 2.07 -0.65 -3.20 116.25 116.12 3isa h VAL 212 Ca 0.11 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 3isa h VAL 212 Cb 0.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3isa h VAL 212 CO -0.10 0.43 -0.54 -0.07 0.02 0.00 0.00 177.57 177.32 3isa h LEU 213 N 0.94 0.13 -9.70 2.57 3.38 -1.04 -3.46 115.31 108.12 3isa h LEU 213 Ca 0.16 -0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.57 3isa h LEU 213 Cb 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3isa h LEU 213 CO 0.04 0.64 0.35 -0.60 0.09 0.00 0.00 178.44 178.96 3isa s ARG 214 N -3.85 4.82 -0.70 1.13 3.52 -0.93 -5.00 118.95 117.94 3isa s ARG 214 Ca -0.03 1.48 -0.26 0.00 -0.13 0.00 0.00 55.73 56.80 3isa s ARG 214 Cb 0.13 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 30.26 3isa s ARG 214 CO 0.77 0.44 1.17 0.34 -0.81 0.00 0.00 175.30 177.21 3isa s ASP 215 N -0.88 6.19 -0.53 -2.12 -1.08 -1.26 -5.00 116.67 111.98 3isa s ASP 215 Ca 0.43 -0.57 -0.24 0.00 -0.52 0.00 0.00 52.55 51.65 3isa s ASP 215 Cb -0.25 -2.51 0.04 0.00 -1.46 0.00 0.00 42.92 38.73 3isa s ASP 215 CO 0.32 -1.68 0.91 -0.62 0.52 0.00 0.00 175.17 174.61 3isa s ASP 216 N 3.64 6.35 -0.31 -0.34 2.15 -1.26 -4.84 116.67 122.06 3isa s ASP 216 Ca 0.32 -0.35 0.10 0.00 0.43 0.00 0.00 52.55 53.05 3isa s ASP 216 Cb -0.11 -2.42 0.46 0.00 -0.30 0.00 0.00 42.92 40.55 3isa s ASP 216 CO 0.14 -1.17 1.15 0.00 -0.17 0.00 0.00 175.17 175.12 3isa n HIS 217 N 7.29 2.49 -0.12 -5.34 1.44 -1.26 -4.93 115.22 114.80 3isa n HIS 217 Ca 0.01 -2.39 -0.07 0.00 -2.01 0.00 0.00 57.72 53.27 3isa n HIS 217 Cb 0.47 -0.28 0.01 0.00 0.12 0.00 0.00 29.99 30.32 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 2.37 0.30 -0.31 4.39 3.32 -1.99 -0.39 116.42 124.12 3isa h ASP 218 Ca 0.24 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3isa h ASP 218 Cb 1.37 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 3isa h ASP 218 CO 0.65 0.22 0.03 0.44 -1.72 0.00 0.00 179.24 178.86 3isa h ASP 219 N 0.41 0.50 -0.59 6.45 5.19 -1.99 -0.05 116.42 126.34 3isa h ASP 219 Ca 0.16 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.34 3isa h ASP 219 Cb 0.05 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.38 3isa h ASP 219 CO -0.10 0.66 0.32 0.00 -3.12 0.00 0.00 179.24 177.00 3isa h ALA 220 N 0.87 0.77 -0.26 3.45 0.00 -1.93 -0.08 119.26 122.08 3isa h ALA 220 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3isa h ALA 220 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3isa h ALA 220 CO 0.01 -0.00 0.15 -0.44 0.00 0.00 0.00 179.25 178.97 3isa h ASP 221 N 0.61 0.32 -0.47 0.00 3.32 -0.77 -1.30 116.42 118.13 3isa h ASP 221 Ca 0.26 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3isa h ASP 221 Cb 0.14 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3isa h ASP 221 CO -0.16 0.29 -0.07 0.25 -1.72 0.00 0.00 179.24 177.83 3isa h LEU 222 N 0.32 0.88 -0.27 1.55 5.85 -0.85 -1.43 115.31 121.36 3isa h LEU 222 Ca 0.09 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3isa h LEU 222 Cb 0.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3isa h LEU 222 CO -0.02 1.02 0.11 0.00 -0.34 0.00 0.00 178.44 179.21 3isa h ALA 223 N 0.90 0.31 -0.62 1.25 0.00 -0.95 -0.09 119.26 120.07 3isa h ALA 223 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3isa h ALA 223 Cb 0.61 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3isa h ALA 223 CO 0.04 -0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.38 3isa h ALA 224 N 1.16 0.78 0.00 0.00 0.00 -1.14 -0.73 119.26 119.34 3isa h ALA 224 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 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 0.23 -0.00 1.25 0.00 0.00 0.00 179.25 180.62 3isa h LEU 225 N 0.83 -0.01 -0.20 0.00 5.85 -1.05 -2.11 115.31 118.62 3isa h LEU 225 Ca 0.22 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3isa h LEU 225 Cb -0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3isa h LEU 225 CO -0.05 0.09 -0.02 0.00 -0.34 0.00 0.00 178.44 178.12 3isa h ALA 226 N 0.89 0.16 -0.42 1.25 0.00 -0.68 -1.53 119.26 118.93 3isa h ALA 226 Ca -0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3isa h ALA 226 Cb 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3isa h ALA 226 CO 0.00 -0.45 0.23 0.00 0.00 0.00 0.00 179.25 179.03 3isa h ARG 227 N 0.03 0.45 -0.50 0.00 3.08 -1.14 -1.17 114.38 115.13 3isa h ARG 227 Ca 0.10 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3isa h ARG 227 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3isa h ARG 227 CO -0.18 0.30 0.23 0.66 -1.07 0.00 0.00 179.97 179.90 3isa h SER 228 N 0.46 0.66 1.48 7.04 4.64 -0.92 -2.74 113.55 124.17 3isa h SER 228 Ca 0.17 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3isa h SER 228 Cb 0.04 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3isa h SER 228 CO -0.10 0.61 -0.17 0.00 -0.87 0.00 0.00 176.83 176.30 3isa h ALA 229 N 1.07 0.89 -0.00 5.18 0.00 -1.18 -3.29 119.26 121.94 3isa h ALA 229 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 229 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3isa h ALA 229 CO -0.02 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.68 3isa n ALA 230 N -1.90 3.69 -1.69 0.00 0.00 -0.45 -4.74 120.51 115.41 3isa n ALA 230 Ca 0.04 -0.42 -0.44 0.00 0.00 0.00 0.00 53.44 52.62 3isa n ALA 230 Cb 0.47 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 3isa n ALA 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3isa n GLN 231 N -1.25 2.57 -1.54 0.00 1.13 -1.05 -4.91 117.38 112.33 3isa n GLN 231 Ca 0.07 0.93 -0.45 0.00 -1.94 0.00 0.00 57.00 55.60 3isa n GLN 231 Cb 0.34 -2.77 -0.02 0.00 0.11 0.00 0.00 30.24 27.91 3isa n GLN 231 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3isa n PRO 232 N 4.50 0.98 -0.53 -1.09 -0.02 -1.26 -2.89 135.00 134.69 3isa n PRO 232 Ca 0.17 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3isa n PRO 232 Cb 0.33 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.43 0.70 0.21 -1.23 0.00 -1.26 -4.99 105.19 100.05 3isa n GLY 233 Ca 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.39 -0.73 1.61 3.57 -1.84 -1.14 116.94 118.02 3isa h PHE 234 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3isa h PHE 234 Cb 0.00 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3isa h PHE 234 CO 0.00 -0.23 0.48 -0.22 -2.23 0.00 0.00 178.31 176.11 3isa h LYS 235 N -0.14 0.94 -0.61 1.11 3.64 -1.94 -1.05 116.57 118.52 3isa h LYS 235 Ca 0.14 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3isa h LYS 235 Cb 0.35 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3isa h LYS 235 CO -0.33 0.62 0.12 0.00 -2.27 0.00 0.00 179.45 177.59 3isa h ALA 236 N 1.27 1.07 -0.57 5.00 0.00 -1.89 -0.85 119.26 123.30 3isa h ALA 236 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3isa h ALA 236 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3isa h ALA 236 CO -0.07 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.01 3isa h ARG 237 N 0.92 0.86 -0.07 0.00 3.08 -0.61 -0.58 114.38 117.98 3isa h ARG 237 Ca 0.19 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3isa h ARG 237 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3isa h ARG 237 CO 0.00 0.75 -0.00 0.82 -1.07 0.00 0.00 179.97 180.47 3isa h ILE 238 N 0.79 0.95 -0.39 2.04 2.04 -0.99 -1.71 117.51 120.24 3isa h ILE 238 Ca 0.19 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.11 3isa h ILE 238 Cb 0.22 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 3isa h ILE 238 CO -0.01 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.03 3isa h ARG 239 N 0.02 0.08 -0.73 2.37 2.43 -0.85 0.49 114.38 118.19 3isa h ARG 239 Ca 0.03 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3isa h ARG 239 Cb 0.04 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3isa h ARG 239 CO -0.06 0.05 0.46 -0.44 -1.51 0.00 0.00 179.97 178.48 3isa h ASP 240 N 0.08 0.77 -0.35 -3.80 3.32 -1.01 -2.19 116.42 113.24 3isa h ASP 240 Ca 0.19 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3isa h ASP 240 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3isa h ASP 240 CO -0.34 0.54 -0.07 0.22 -1.72 0.00 0.00 179.24 177.87 3isa h TYR 241 N 0.91 0.76 0.00 4.55 3.20 -0.69 -3.10 116.97 122.60 3isa h TYR 241 Ca 0.29 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3isa h TYR 241 Cb -0.01 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3isa h TYR 241 CO -0.04 0.82 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.22 3isa h LEU 242 N 0.47 0.00 0.00 2.82 3.38 -0.66 -2.23 115.31 119.09 3isa h LEU 242 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3isa h LEU 242 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3isa h LEU 242 CO 0.03 0.02 -0.28 0.00 0.09 0.00 0.00 178.44 178.30 3isa h ALA 243 N 1.98 0.82 -2.79 1.53 0.00 -1.33 -3.47 119.26 116.00 3isa h ALA 243 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3isa h ALA 243 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.31 3isa h ALA 243 CO 0.00 0.00 0.55 -0.65 0.00 0.00 0.00 179.25 179.15 3isa s GLN 244 N -3.16 3.99 0.44 0.00 -1.52 -0.84 -4.98 119.66 113.59 3isa s GLN 244 Ca 0.08 1.97 0.26 0.00 -1.95 0.00 0.00 55.36 55.72 3isa s GLN 244 Cb 0.11 -2.69 0.66 0.00 -0.22 0.00 0.00 33.01 30.87 3isa s GLN 244 CO 0.66 -0.42 1.72 -1.35 -0.25 0.00 0.00 175.29 175.66 3isa h PRO 245 N 2.61 0.00 -0.01 2.91 0.11 -1.91 -3.50 132.00 132.20 3isa h PRO 245 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3isa h PRO 245 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3isa h PRO 245 CO 0.62 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.41