#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isi n ARG 3 N 0.00 2.65 -4.36 -0.99 3.00 -1.25 -4.62 116.66 111.09 1isi n ARG 3 Ca 0.00 -2.96 -0.18 0.00 -0.01 0.00 0.00 57.85 54.69 1isi n ARG 3 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 32.46 30.19 1isi n ARG 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1isi s ALA 4 N -3.14 1.98 0.33 7.54 0.00 -0.63 -4.87 121.76 122.98 1isi s ALA 4 Ca 0.55 -1.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1isi s ALA 4 Cb 0.46 0.22 -0.12 0.00 0.00 0.00 0.00 23.12 23.67 1isi s ALA 4 CO 0.12 -0.11 1.33 -1.91 0.00 0.00 0.00 175.76 175.18 1isi n GLU 5 N -0.44 2.18 -1.45 0.00 2.13 -1.26 -1.56 120.64 120.24 1isi n GLU 5 Ca -0.06 0.77 -0.29 0.00 0.66 0.00 0.00 57.16 58.23 1isi n GLU 5 Cb 0.63 -2.37 0.18 0.00 0.27 0.00 0.00 31.44 30.14 1isi n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1isi s GLY 6 N -0.21 1.61 0.32 8.31 0.00 -1.24 -2.90 107.32 113.21 1isi s GLY 6 Ca 0.57 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 1isi s GLY 6 CO 0.61 -0.05 1.08 2.41 0.00 0.00 0.00 173.10 177.15 1isi n THR 7 N -4.06 2.06 -2.28 0.90 -1.04 -0.13 -4.65 114.28 105.08 1isi n THR 7 Ca 0.10 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.19 1isi n THR 7 Cb 0.59 -1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 1isi n THR 7 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1isi s SER 8 N -0.52 6.97 0.43 8.00 0.01 -0.30 -4.72 113.70 123.57 1isi s SER 8 Ca 0.58 2.36 -0.25 0.00 1.31 0.00 0.00 55.95 59.95 1isi s SER 8 Cb -0.64 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 62.89 1isi s SER 8 CO 0.60 -0.46 1.34 0.00 0.41 0.00 0.00 173.24 175.13 1isi s ALA 9 N -0.09 3.22 -1.46 1.44 0.00 -1.26 -2.77 121.76 120.85 1isi s ALA 9 Ca 0.54 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.70 1isi s ALA 9 Cb -0.35 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.30 1isi s ALA 9 CO 0.39 -0.95 0.77 0.72 0.00 0.00 0.00 175.76 176.70 1isi n HIS 10 N -0.04 -2.17 -0.21 0.00 8.25 -1.26 -4.87 115.22 114.92 1isi n HIS 10 Ca 0.04 0.69 0.01 0.00 -0.26 0.00 0.00 57.72 58.21 1isi n HIS 10 Cb 0.43 -4.08 0.09 0.00 1.12 0.00 0.00 29.99 27.56 1isi n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1isi h LEU 11 N -1.69 -0.38 0.13 2.41 5.85 -1.93 -1.83 115.31 117.88 1isi h LEU 11 Ca -0.53 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1isi h LEU 11 Cb 1.35 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1isi h LEU 11 CO 0.59 -0.15 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.38 1isi h ARG 12 N 0.08 -0.17 -0.72 1.25 2.43 -1.89 -0.06 114.38 115.29 1isi h ARG 12 Ca 0.32 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1isi h ARG 12 Cb 0.52 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1isi h ARG 12 CO -0.58 -0.11 0.47 -0.44 -1.51 0.00 0.00 179.97 177.81 1isi h ASP 13 N -0.19 0.81 -0.14 -3.80 3.32 -1.86 -0.84 116.42 113.72 1isi h ASP 13 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1isi h ASP 13 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1isi h ASP 13 CO 0.03 0.58 0.05 0.40 -1.72 0.00 0.00 179.24 178.58 1isi h ILE 14 N 0.95 1.15 0.28 0.35 2.04 -1.21 0.11 117.51 121.19 1isi h ILE 14 Ca 0.27 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1isi h ILE 14 Cb -0.08 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1isi h ILE 14 CO -0.07 0.14 -0.35 0.15 0.00 0.00 0.00 178.15 178.02 1isi h PHE 15 N 0.06 -0.96 -0.71 1.37 3.57 -0.76 0.13 116.94 119.64 1isi h PHE 15 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1isi h PHE 15 Cb 0.17 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1isi h PHE 15 CO -0.01 -0.49 0.32 -0.07 -2.23 0.00 0.00 178.31 175.83 1isi h LEU 16 N -0.69 0.93 -0.19 0.59 3.38 -1.13 -0.01 115.31 118.19 1isi h LEU 16 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1isi h LEU 16 Cb 0.65 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1isi h LEU 16 CO -0.11 0.80 0.08 1.23 0.09 0.00 0.00 178.44 180.53 1isi h GLY 17 N 1.07 0.30 1.19 0.83 0.00 -0.33 -0.64 103.07 105.49 1isi h GLY 17 Ca 0.24 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1isi h GLY 17 CO -0.03 0.15 -0.03 3.21 0.00 0.00 0.00 176.54 179.85 1isi h ARG 18 N 0.16 0.96 -0.54 4.80 3.08 -0.46 -1.43 114.38 120.95 1isi h ARG 18 Ca 0.06 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1isi h ARG 18 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1isi h ARG 18 CO -0.01 0.97 0.26 0.00 -1.07 0.00 0.00 179.97 180.12 1isi h ALA 20 N 1.10 0.17 -0.97 0.00 0.00 -0.80 -2.67 119.26 116.08 1isi h ALA 20 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1isi h ALA 20 Cb 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1isi h ALA 20 CO -0.02 -0.30 0.64 0.93 0.00 0.00 0.00 179.25 180.50 1isi h GLU 21 N 0.12 1.29 -0.51 0.00 5.08 -1.08 -2.85 114.58 116.63 1isi h GLU 21 Ca 0.05 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1isi h GLU 21 Cb 0.07 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1isi h GLU 21 CO -0.01 0.86 0.17 -0.92 -1.00 0.00 0.00 179.01 178.11 1isi h TYR 22 N 1.32 0.75 -1.01 4.33 3.20 -0.97 -2.92 116.97 121.68 1isi h TYR 22 Ca 0.36 -0.05 0.23 0.00 3.14 0.00 0.00 58.73 62.41 1isi h TYR 22 Cb -0.14 -0.23 -0.11 0.00 1.54 0.00 0.00 36.73 37.79 1isi h TYR 22 CO -0.00 0.61 0.62 0.00 -1.64 0.00 0.00 178.16 177.75 1isi h ARG 23 N 0.73 0.57 -0.10 1.82 3.08 -1.23 0.46 114.38 119.72 1isi h ARG 23 Ca 0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1isi h ARG 23 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1isi h ARG 23 CO -0.01 0.38 0.02 0.00 -1.07 0.00 0.00 179.97 179.28 1isi h ALA 24 N 1.67 1.85 0.00 0.04 0.00 -1.65 -0.22 119.26 120.96 1isi h ALA 24 Ca 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1isi h ALA 24 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1isi h ALA 24 CO -0.39 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1isi n LEU 25 N -4.47 0.51 -4.86 0.00 4.77 0.16 -4.78 117.00 108.32 1isi n LEU 25 Ca -0.01 0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 56.23 1isi n LEU 25 Cb 0.12 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1isi n LEU 25 CO 0.35 -0.23 0.50 -0.76 -1.33 0.00 0.00 177.39 175.91 1isi s LEU 26 N -4.00 3.82 0.39 2.23 1.43 -0.10 -5.05 118.68 117.40 1isi s LEU 26 Ca 0.10 1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 1isi s LEU 26 Cb 0.13 -4.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 1isi s LEU 26 CO 0.50 -0.41 0.96 -0.94 0.23 0.00 0.00 176.35 176.69 1isi s SER 27 N -2.98 7.01 0.29 2.29 1.04 -1.26 -4.73 113.70 115.36 1isi s SER 27 Ca 0.54 1.79 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 1isi s SER 27 Cb -0.10 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.09 1isi s SER 27 CO 0.29 -0.31 1.57 -0.65 0.98 0.00 0.00 173.24 175.12 1isi h PRO 28 N 2.37 0.01 -1.00 4.02 0.11 -1.95 0.25 132.00 135.81 1isi h PRO 28 Ca -0.48 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.84 1isi h PRO 28 Cb 1.19 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1isi h PRO 28 CO 0.62 0.01 0.61 1.49 -0.21 0.00 0.00 178.00 180.52 1isi h GLU 29 N 0.01 0.66 -0.31 1.05 4.81 -2.02 -1.71 114.58 117.06 1isi h GLU 29 Ca 0.55 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1isi h GLU 29 Cb 1.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1isi h GLU 29 CO -0.93 0.43 0.00 1.04 -0.73 0.00 0.00 179.01 178.82 1isi n GLN 30 N -4.82 2.89 0.19 1.92 6.02 0.41 -4.62 117.38 119.37 1isi n GLN 30 Ca 0.25 -1.99 0.14 0.00 -0.01 0.00 0.00 57.00 55.39 1isi n GLN 30 Cb 0.66 -1.24 0.56 0.00 1.02 0.00 0.00 30.24 31.24 1isi n GLN 30 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1isi h ARG 31 N 1.78 0.00 -5.90 -1.09 2.43 0.33 -3.40 114.38 108.53 1isi h ARG 31 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1isi h ARG 31 Cb 0.70 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 1isi h ARG 31 CO 0.00 0.00 1.58 1.21 -1.51 0.00 0.00 179.97 181.25 1isi s ASN 32 N -4.83 6.26 0.02 -3.80 2.47 -1.26 -4.92 114.94 108.88 1isi s ASN 32 Ca 0.03 -1.70 0.08 0.00 0.42 0.00 0.00 52.86 51.69 1isi s ASN 32 Cb 0.09 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.29 1isi s ASN 32 CO 0.46 -1.75 -0.23 -0.54 -3.72 0.00 0.00 177.10 171.33 1isi s LYS 33 N 5.18 1.65 -0.61 0.43 -0.14 -1.26 -5.10 119.74 119.89 1isi s LYS 33 Ca 0.54 -0.94 -0.08 0.00 -1.36 0.00 0.00 55.97 54.14 1isi s LYS 33 Cb 0.00 -1.72 0.16 0.00 -1.68 0.00 0.00 37.83 34.59 1isi s LYS 33 CO -0.00 0.45 0.47 0.34 -0.76 0.00 0.00 175.35 175.85 1isi s ASP 34 N -0.97 5.77 0.43 2.83 -1.08 -1.26 -4.94 116.67 117.46 1isi s ASP 34 Ca 0.09 -2.43 0.16 0.00 -0.52 0.00 0.00 52.55 49.85 1isi s ASP 34 Cb -0.09 -2.00 1.06 0.00 -1.46 0.00 0.00 42.92 40.43 1isi s ASP 34 CO 0.01 -0.55 1.92 0.00 0.52 0.00 0.00 175.17 177.07 1isi h THR 36 N 0.41 1.28 -0.46 0.00 2.02 -1.97 -1.05 112.91 113.13 1isi h THR 36 Ca 0.37 -1.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.22 1isi h THR 36 Cb 0.85 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1isi h THR 36 CO -0.12 0.40 -0.19 0.00 0.37 0.00 0.00 175.52 175.98 1isi h ALA 37 N 0.81 0.65 -0.69 6.16 0.00 -1.68 -1.49 119.26 123.01 1isi h ALA 37 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1isi h ALA 37 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1isi h ALA 37 CO 0.04 0.61 0.45 0.82 0.00 0.00 0.00 179.25 181.17 1isi h ILE 38 N 0.79 1.18 -0.43 0.00 2.04 -0.84 -0.87 117.51 119.38 1isi h ILE 38 Ca 0.11 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1isi h ILE 38 Cb 0.76 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1isi h ILE 38 CO 0.06 0.18 0.20 -0.25 0.00 0.00 0.00 178.15 178.34 1isi h TRP 39 N 0.94 0.63 -0.35 1.37 2.91 -0.98 -0.93 115.95 119.54 1isi h TRP 39 Ca 0.25 -0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.27 1isi h TRP 39 Cb -0.09 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.33 1isi h TRP 39 CO -0.02 0.53 0.15 0.93 -1.03 0.00 0.00 178.44 179.00 1isi h GLU 40 N 0.55 0.31 -0.76 2.65 4.39 -0.77 0.61 114.58 121.55 1isi h GLU 40 Ca 0.15 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1isi h GLU 40 Cb 0.14 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1isi h GLU 40 CO -0.02 0.20 0.42 0.00 -1.16 0.00 0.00 179.01 178.46 1isi h ALA 41 N 1.20 0.98 -0.17 3.43 0.00 -0.98 -2.96 119.26 120.77 1isi h ALA 41 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1isi h ALA 41 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1isi h ALA 41 CO -0.13 0.49 0.09 0.35 0.00 0.00 0.00 179.25 180.04 1isi h PHE 42 N 1.06 0.24 0.00 0.00 3.57 -0.47 -3.05 116.94 118.28 1isi h PHE 42 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1isi h PHE 42 Cb 0.03 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1isi h PHE 42 CO -0.00 0.25 0.00 0.36 -2.23 0.00 0.00 178.31 176.69 1isi n LYS 43 N -4.90 0.36 0.21 1.11 2.85 0.14 -2.79 118.16 115.14 1isi n LYS 43 Ca -0.04 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.28 1isi n LYS 43 Cb 0.08 -1.37 0.53 0.00 -0.65 0.00 0.00 35.03 33.62 1isi n LYS 43 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1isi h VAL 44 N 0.00 1.09 0.00 0.58 3.04 -1.57 0.58 116.25 119.97 1isi h VAL 44 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1isi h VAL 44 Cb 0.00 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1isi h VAL 44 CO 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 176.68 1isi h ALA 45 N 1.85 1.00 -0.13 3.17 0.00 -1.78 -2.63 119.26 120.74 1isi h ALA 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1isi h ALA 45 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1isi h ALA 45 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1isi n LEU 46 N -2.71 1.48 -0.23 0.00 4.77 0.19 -3.33 117.00 117.18 1isi n LEU 46 Ca 0.01 -0.60 0.06 0.00 -0.03 0.00 0.00 56.01 55.45 1isi n LEU 46 Cb 0.28 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1isi n LEU 46 CO 0.24 0.30 0.20 0.47 -1.33 0.00 0.00 177.39 177.27 1isi n ASP 47 N 0.19 1.23 -4.95 -1.43 8.00 -0.99 -4.60 116.55 114.01 1isi n ASP 47 Ca 0.16 -1.12 -0.19 0.00 0.71 0.00 0.00 54.79 54.35 1isi n ASP 47 Cb 0.31 0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.92 1isi n ASP 47 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1isi s LYS 48 N -1.57 2.94 0.24 -1.24 1.02 -1.21 -5.06 119.74 114.86 1isi s LYS 48 Ca 0.09 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 54.62 1isi s LYS 48 Cb 0.09 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.60 1isi s LYS 48 CO 0.31 0.02 1.66 0.34 -0.92 0.00 0.00 175.35 176.76 1isi s ASP 49 N -4.14 6.40 0.00 2.83 2.15 -1.26 -4.53 116.67 118.12 1isi s ASP 49 Ca 0.45 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.31 1isi s ASP 49 Cb -0.08 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1isi s ASP 49 CO 0.30 -0.94 0.56 -0.81 -0.17 0.00 0.00 175.17 174.11 1isi n PRO 50 N 3.30 0.00 -0.10 4.34 -0.04 -1.26 -0.68 135.00 140.56 1isi n PRO 50 Ca 0.13 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1isi n PRO 50 Cb 0.36 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1isi n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1isi n SER 52 N -0.73 1.75 -4.60 0.00 7.64 0.14 -4.36 113.62 113.46 1isi n SER 52 Ca 0.06 -2.99 -0.36 0.00 1.01 0.00 0.00 58.87 56.59 1isi n SER 52 Cb 0.49 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 1isi n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1isi s VAL 53 N -2.19 4.97 0.18 0.44 1.01 -0.46 -4.79 120.40 119.57 1isi s VAL 53 Ca 0.37 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.44 1isi s VAL 53 Cb 0.38 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1isi s VAL 53 CO -0.09 0.37 0.23 -0.76 0.00 0.00 0.00 175.10 174.85 1isi s LEU 54 N 1.04 4.08 0.26 3.92 1.43 -1.26 -4.22 118.68 123.92 1isi s LEU 54 Ca 0.06 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1isi s LEU 54 Cb -0.14 -2.65 0.47 0.00 0.03 0.00 0.00 46.19 43.90 1isi s LEU 54 CO 0.04 0.02 1.80 -0.65 0.23 0.00 0.00 176.35 177.80 1isi h PRO 55 N 1.98 0.78 0.00 1.29 0.11 -1.96 -1.33 132.00 132.87 1isi h PRO 55 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1isi h PRO 55 Cb 1.21 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1isi h PRO 55 CO 0.64 0.51 -0.01 0.66 -0.21 0.00 0.00 178.00 179.60 1isi h SER 56 N 0.80 0.00 0.09 -2.05 4.64 -1.95 -1.41 113.55 113.67 1isi h SER 56 Ca 0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1isi h SER 56 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1isi h SER 56 CO -0.28 0.01 -0.01 0.44 -0.87 0.00 0.00 176.83 176.12 1isi h ASP 57 N 0.00 0.00 -0.36 4.97 3.32 -1.64 -0.63 116.42 122.09 1isi h ASP 57 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1isi h ASP 57 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1isi h ASP 57 CO 0.00 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1isi n TYR 58 N -3.37 0.47 -0.16 4.55 4.02 -0.53 -4.44 117.16 117.70 1isi n TYR 58 Ca -0.03 -0.23 -0.03 0.00 -0.01 0.00 0.00 57.90 57.60 1isi n TYR 58 Cb 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.49 1isi n TYR 58 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1isi h ASP 59 N 2.73 0.12 -0.32 7.72 3.32 -1.26 -1.43 116.42 127.30 1isi h ASP 59 Ca 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1isi h ASP 59 Cb 0.61 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1isi h ASP 59 CO 0.00 0.09 0.14 0.25 -1.72 0.00 0.00 179.24 178.00 1isi h LEU 60 N 0.31 0.43 -0.50 1.55 6.46 -1.82 -0.51 115.31 121.24 1isi h LEU 60 Ca 0.25 -0.15 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1isi h LEU 60 Cb 0.29 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 1isi h LEU 60 CO -0.28 0.46 0.02 0.15 -0.62 0.00 0.00 178.44 178.17 1isi h PHE 61 N 0.37 -0.00 -0.46 1.25 3.57 -1.70 -0.48 116.94 119.49 1isi h PHE 61 Ca 0.11 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1isi h PHE 61 Cb 0.16 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1isi h PHE 61 CO -0.01 -0.10 0.14 0.82 -2.23 0.00 0.00 178.31 176.93 1isi h ILE 62 N 0.13 1.22 -0.62 1.41 1.08 -0.95 -2.00 117.51 117.78 1isi h ILE 62 Ca 0.25 -0.75 0.09 0.00 -0.39 0.00 0.00 64.86 64.06 1isi h ILE 62 Cb 0.37 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1isi h ILE 62 CO -0.40 0.27 0.26 0.74 -0.69 0.00 0.00 178.15 178.32 1isi h THR 63 N 0.61 0.80 0.00 -0.27 2.02 -0.05 0.34 112.91 116.36 1isi h THR 63 Ca 0.15 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1isi h THR 63 Cb 0.27 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1isi h THR 63 CO -0.00 0.08 -0.20 -0.07 0.37 0.00 0.00 175.52 175.70 1isi h LEU 64 N 0.45 0.00 0.00 2.58 3.38 -0.98 -3.33 115.31 117.41 1isi h LEU 64 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1isi h LEU 64 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1isi h LEU 64 CO -0.29 0.20 -0.89 -1.54 0.09 0.00 0.00 178.44 176.01 1isi n SER 65 N -3.21 0.87 -4.76 -0.43 3.41 -0.77 -4.75 113.62 103.98 1isi n SER 65 Ca 0.02 -0.67 -0.41 0.00 -0.26 0.00 0.00 58.87 57.54 1isi n SER 65 Cb 0.53 1.14 -0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1isi n SER 65 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1isi n ARG 66 N -1.48 2.56 -3.83 4.33 0.63 0.11 -4.51 116.66 114.47 1isi n ARG 66 Ca 0.02 0.90 -0.10 0.00 -0.92 0.00 0.00 57.85 57.75 1isi n ARG 66 Cb 0.26 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 30.51 1isi n ARG 66 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1isi s HIS 67 N -0.99 0.10 0.57 -0.14 -3.43 -1.26 -5.05 115.29 105.08 1isi s HIS 67 Ca 0.55 -0.45 -0.17 0.00 -0.80 0.00 0.00 55.06 54.19 1isi s HIS 67 Cb -0.50 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.80 1isi s HIS 67 CO 0.62 -0.82 1.05 -1.54 -2.00 0.00 0.00 174.74 172.05 1isi s SER 68 N -2.91 5.90 -0.17 7.38 1.04 -1.26 -5.04 113.70 118.63 1isi s SER 68 Ca 0.12 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.38 1isi s SER 68 Cb 0.01 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1isi s SER 68 CO -0.02 -1.08 -0.10 -0.63 0.98 0.00 0.00 173.24 172.39 1isi s ILE 69 N -2.34 3.08 0.33 -1.02 1.01 -1.26 -5.09 121.20 115.91 1isi s ILE 69 Ca 0.65 -0.62 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 1isi s ILE 69 Cb -0.16 -2.34 -0.13 0.00 0.01 0.00 0.00 42.46 39.84 1isi s ILE 69 CO 0.33 0.48 1.04 -2.65 0.00 0.00 0.00 174.94 174.15 1isi n PRO 70 N 4.20 1.46 -1.78 2.79 -0.02 -1.26 -4.77 135.00 135.62 1isi n PRO 70 Ca -0.18 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 1isi n PRO 70 Cb 0.52 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1isi n PRO 70 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1isi s ARG 71 N -1.72 3.23 0.00 -0.52 3.52 -1.26 -2.18 118.95 120.02 1isi s ARG 71 Ca 0.59 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.47 1isi s ARG 71 Cb -0.64 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1isi s ARG 71 CO 0.60 -1.13 0.00 -0.25 -0.81 0.00 0.00 175.30 173.71 1isi n ASP 72 N -0.88 -0.65 -0.87 -2.12 8.00 -0.01 -4.82 116.55 115.19 1isi n ASP 72 Ca 0.09 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.70 1isi n ASP 72 Cb 0.44 -1.84 0.10 0.00 -0.02 0.00 0.00 41.12 39.80 1isi n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1isi n LYS 73 N -1.77 2.01 -2.54 -1.24 4.76 -0.93 -4.75 118.16 113.71 1isi n LYS 73 Ca 0.00 -1.81 -0.38 0.00 -2.87 0.00 0.00 58.31 53.25 1isi n LYS 73 Cb 0.04 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1isi n LYS 73 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1isi s SER 74 N -1.76 6.95 -0.20 4.39 0.01 -1.26 -0.28 113.70 121.56 1isi s SER 74 Ca 0.26 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.58 1isi s SER 74 Cb 0.18 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.88 1isi s SER 74 CO 0.27 -0.36 0.09 -0.22 0.41 0.00 0.00 173.24 173.43 1isi s LEU 75 N -2.22 0.62 0.43 2.44 2.96 -1.26 -2.78 118.68 118.87 1isi s LEU 75 Ca 0.53 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1isi s LEU 75 Cb -0.25 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1isi s LEU 75 CO 0.32 -0.36 0.64 -0.36 -1.32 0.00 0.00 176.35 175.27 1isi s PHE 76 N 2.06 3.26 0.19 5.38 0.40 0.11 -4.37 117.98 125.00 1isi s PHE 76 Ca 0.03 0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 56.35 1isi s PHE 76 Cb -0.16 -2.24 0.06 0.00 0.51 0.00 0.00 43.02 41.19 1isi s PHE 76 CO -0.14 -0.27 0.93 1.67 0.70 0.00 0.00 175.22 178.11 1isi s TRP 77 N -2.50 -0.10 -0.16 0.36 1.48 -1.26 -0.27 118.94 116.49 1isi s TRP 77 Ca 0.47 -0.26 -0.11 0.00 -1.06 0.00 0.00 56.10 55.14 1isi s TRP 77 Cb -0.10 0.67 0.05 0.00 -1.16 0.00 0.00 33.47 32.93 1isi s TRP 77 CO 0.37 -0.93 0.39 -1.21 -4.06 0.00 0.00 176.95 171.52 1isi s GLU 78 N -3.17 0.41 -1.65 3.25 0.41 -0.82 -4.86 118.70 112.28 1isi s GLU 78 Ca 0.14 0.67 -0.17 0.00 -0.41 0.00 0.00 54.97 55.20 1isi s GLU 78 Cb -0.02 0.07 0.13 0.00 -1.78 0.00 0.00 34.13 32.53 1isi s GLU 78 CO 0.04 -0.12 0.87 0.09 -0.49 0.00 0.00 175.26 175.65 1isi n ASN 79 N 3.67 -3.89 -1.19 -0.19 3.02 -1.26 -3.31 115.26 112.11 1isi n ASN 79 Ca -0.19 -0.93 -0.01 0.00 -0.03 0.00 0.00 54.58 53.42 1isi n ASN 79 Cb 0.56 -3.17 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 1isi n ASN 79 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1isi n SER 80 N -2.72 0.06 -0.23 6.41 7.64 -1.26 -4.55 113.62 118.98 1isi n SER 80 Ca 0.07 -1.95 -0.07 0.00 1.01 0.00 0.00 58.87 57.92 1isi n SER 80 Cb 0.50 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 1isi n SER 80 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1isi h HIS 81 N 0.48 -1.19 -0.61 1.43 6.17 -1.97 -0.44 115.15 119.02 1isi h HIS 81 Ca -0.35 0.08 -0.05 0.00 0.71 0.00 0.00 60.37 60.75 1isi h HIS 81 Cb 1.63 0.59 -0.03 0.00 2.52 0.00 0.00 27.41 32.12 1isi h HIS 81 CO -0.00 -0.26 0.16 -0.07 0.71 0.00 0.00 177.93 178.47 1isi h LEU 82 N -0.06 0.89 -0.87 0.26 3.38 -2.00 -2.20 115.31 114.70 1isi h LEU 82 Ca 0.09 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1isi h LEU 82 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1isi h LEU 82 CO -0.55 0.85 -0.10 0.25 0.09 0.00 0.00 178.44 178.98 1isi h LEU 83 N 0.91 0.71 -0.18 1.67 5.85 -1.88 -1.03 115.31 121.36 1isi h LEU 83 Ca 0.20 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1isi h LEU 83 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1isi h LEU 83 CO -0.00 0.85 0.00 0.58 -0.34 0.00 0.00 178.44 179.52 1isi h VAL 84 N 0.66 1.25 -0.43 1.05 2.07 -0.83 -0.04 116.25 119.99 1isi h VAL 84 Ca 0.12 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1isi h VAL 84 Cb 0.56 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1isi h VAL 84 CO 0.03 0.26 0.18 0.78 0.02 0.00 0.00 177.57 178.85 1isi h ASN 85 N 0.08 0.58 -0.48 0.57 -0.26 -1.25 -0.59 115.58 114.22 1isi h ASN 85 Ca 0.05 -0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.57 1isi h ASN 85 Cb 0.39 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 1isi h ASN 85 CO 0.01 0.57 0.04 0.28 -1.06 0.00 0.00 177.43 177.27 1isi h SER 86 N 0.54 0.81 -0.30 5.81 0.02 -1.16 -2.50 113.55 116.77 1isi h SER 86 Ca 0.14 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1isi h SER 86 Cb 0.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1isi h SER 86 CO -0.01 0.89 0.00 0.15 -1.14 0.00 0.00 176.83 176.72 1isi h PHE 87 N 0.69 0.57 -0.46 3.45 -0.00 -0.88 -2.86 116.94 117.45 1isi h PHE 87 Ca 0.14 -0.10 0.07 0.00 -0.00 0.00 0.00 57.97 58.08 1isi h PHE 87 Cb 0.46 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.95 36.23 1isi h PHE 87 CO 0.03 0.66 0.31 0.00 -0.00 0.00 0.00 178.31 179.31 1isi h ALA 88 N 0.84 1.98 -5.99 2.41 0.00 -1.08 -3.42 119.26 114.00 1isi h ALA 88 Ca 0.09 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.60 1isi h ALA 88 Cb 0.43 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 18.26 1isi h ALA 88 CO 0.01 -0.07 -0.91 -3.47 0.00 0.00 0.00 179.25 174.81 1isi n ASP 89 N -4.47 -5.52 -3.94 0.00 2.03 -0.95 -1.28 116.55 102.42 1isi n ASP 89 Ca 0.06 -0.92 -0.26 0.00 0.52 0.00 0.00 54.79 54.19 1isi n ASP 89 Cb 0.27 -3.96 -0.02 0.00 -0.72 0.00 0.00 41.12 36.69 1isi n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1isi n ASN 90 N -2.86 -0.76 0.00 1.67 5.15 -1.26 -1.10 115.26 116.10 1isi n ASN 90 Ca -0.10 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1isi n ASN 90 Cb 0.60 -3.00 0.00 0.00 -0.53 0.00 0.00 39.78 36.85 1isi n ASN 90 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1isi n THR 91 N -4.40 0.00 -0.11 -0.44 -2.24 -1.20 -4.91 114.28 100.98 1isi n THR 91 Ca -0.29 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 1isi n THR 91 Cb 0.68 -0.03 0.11 0.00 -2.10 0.00 0.00 70.33 69.00 1isi n THR 91 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1isi h ARG 92 N 2.08 0.82 0.00 -0.78 2.43 -0.91 -3.36 114.38 114.66 1isi h ARG 92 Ca 0.00 -0.27 -0.37 0.00 -0.81 0.00 0.00 59.98 58.54 1isi h ARG 92 Cb 0.00 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 1isi h ARG 92 CO 0.00 0.88 -2.24 0.54 -1.51 0.00 0.00 179.97 177.65 1isi n ARG 93 N -4.17 0.48 -4.15 0.20 1.74 -0.40 -5.05 116.66 105.31 1isi n ARG 93 Ca 0.02 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 1isi n ARG 93 Cb 0.36 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 1isi n ARG 93 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1isi s PHE 94 N -2.41 1.01 -0.61 -1.55 0.40 -1.18 -4.99 117.98 108.65 1isi s PHE 94 Ca -0.31 -1.24 0.05 0.00 -0.60 0.00 0.00 56.93 54.83 1isi s PHE 94 Cb 0.11 -0.37 0.18 0.00 0.51 0.00 0.00 43.02 43.46 1isi s PHE 94 CO 0.41 -0.77 0.49 -0.12 0.70 0.00 0.00 175.22 175.93 1isi n MET 95 N -0.34 1.46 -1.19 0.44 1.56 0.62 -3.39 117.12 116.28 1isi n MET 95 Ca 0.02 -4.13 -0.29 0.00 -0.27 0.00 0.00 57.70 53.03 1isi n MET 95 Cb 0.65 -2.08 0.18 0.00 2.15 0.00 0.00 33.22 34.12 1isi n MET 95 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1isi s PRO 96 N -1.21 0.33 0.39 2.12 0.04 -1.26 -4.03 135.00 131.38 1isi s PRO 96 Ca 0.29 0.44 0.14 0.00 0.04 0.00 0.00 61.00 61.91 1isi s PRO 96 Cb 0.01 -1.73 0.98 0.00 0.04 0.00 0.00 34.50 33.80 1isi s PRO 96 CO -0.16 -2.78 1.86 1.25 0.04 0.00 0.00 177.00 177.21 1isi h LEU 97 N -1.93 0.50 -0.91 -3.56 5.85 -1.95 0.35 115.31 113.67 1isi h LEU 97 Ca -0.54 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1isi h LEU 97 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1isi h LEU 97 CO 0.57 0.22 0.00 -1.54 -0.34 0.00 0.00 178.44 177.36 1isi n SER 98 N -4.54 0.50 -1.03 1.25 3.41 -1.26 -1.22 113.62 110.73 1isi n SER 98 Ca 0.18 0.68 0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1isi n SER 98 Cb 0.60 -0.76 0.23 0.00 -0.26 0.00 0.00 64.21 64.01 1isi n SER 98 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1isi n ASP 99 N -2.11 3.20 -4.32 4.04 8.00 0.12 -3.49 116.55 121.98 1isi n ASP 99 Ca 0.00 -3.38 -0.31 0.00 0.71 0.00 0.00 54.79 51.81 1isi n ASP 99 Cb 0.11 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.46 1isi n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1isi s VAL 100 N -3.03 2.22 0.21 2.53 1.01 -0.36 -4.79 120.40 118.18 1isi s VAL 100 Ca 0.43 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1isi s VAL 100 Cb 0.37 -1.80 0.15 0.00 0.00 0.00 0.00 36.38 35.11 1isi s VAL 100 CO 0.05 0.58 1.52 -0.11 0.00 0.00 0.00 175.10 177.13 1isi n LEU 101 N 2.59 -0.75 0.23 3.92 7.94 -1.26 -0.27 117.00 129.40 1isi n LEU 101 Ca -0.17 1.72 0.16 0.00 -1.11 0.00 0.00 56.01 56.61 1isi n LEU 101 Cb 0.51 -0.35 0.70 0.00 0.53 0.00 0.00 43.42 44.82 1isi n LEU 101 CO 0.24 -1.51 0.97 0.10 -1.11 0.00 0.00 177.39 176.08 1isi h TYR 102 N 0.00 0.00 0.03 1.96 -0.00 -1.88 -2.76 116.97 114.31 1isi h TYR 102 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.68 1isi h TYR 102 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.21 1isi h TYR 102 CO -0.90 0.00 -2.09 0.41 -0.00 0.00 0.00 178.16 175.58 1isi n GLY 103 N -0.31 -0.80 0.37 0.10 0.00 0.09 -4.34 105.19 100.30 1isi n GLY 103 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1isi n GLY 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1isi h ARG 104 N 0.01 1.01 0.00 1.61 9.65 -0.35 -2.03 114.38 124.28 1isi h ARG 104 Ca -0.44 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1isi h ARG 104 Cb 2.07 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 1isi h ARG 104 CO 0.04 0.67 0.00 1.33 2.80 0.00 0.00 179.97 184.81 1isi n VAL 105 N -4.51 0.78 0.14 0.20 0.24 -1.12 -3.63 118.33 110.43 1isi n VAL 105 Ca 0.15 0.14 0.02 0.00 -2.04 0.00 0.00 64.34 62.61 1isi n VAL 105 Cb 0.23 -1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 31.57 1isi n VAL 105 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1isi n ALA 106 N -1.71 2.41 -1.63 2.33 0.00 -0.86 -4.67 120.51 116.37 1isi n ALA 106 Ca 0.03 -0.09 -0.54 0.00 0.00 0.00 0.00 53.44 52.84 1isi n ALA 106 Cb 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1isi n ALA 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1isi n ASP 107 N -1.12 1.93 0.00 0.00 4.64 -0.82 -0.40 116.55 120.78 1isi n ASP 107 Ca 0.01 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.52 1isi n ASP 107 Cb 0.06 -1.18 0.00 0.00 -1.04 0.00 0.00 41.12 38.96 1isi n ASP 107 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1isi n PHE 108 N 3.57 0.00 -2.47 -0.67 3.01 -1.26 -4.99 117.46 114.64 1isi n PHE 108 Ca 0.21 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.42 1isi n PHE 108 Cb 0.17 -0.31 0.03 0.00 -0.01 0.00 0.00 39.48 39.36 1isi n PHE 108 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1isi s LEU 109 N 0.00 3.26 0.02 4.37 1.43 0.47 -5.06 118.68 123.16 1isi s LEU 109 Ca 0.00 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1isi s LEU 109 Cb 0.00 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1isi s LEU 109 CO 0.00 -1.07 0.03 -0.55 0.23 0.00 0.00 176.35 175.00 1isi s SER 110 N -4.32 0.18 -0.14 2.29 0.15 -1.26 -5.00 113.70 105.60 1isi s SER 110 Ca 0.54 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 1isi s SER 110 Cb -0.10 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.46 1isi s SER 110 CO 0.44 -0.36 0.89 -1.66 1.20 0.00 0.00 173.24 173.75 1isi s TRP 111 N -1.67 -0.49 -0.29 3.44 -2.14 -1.26 -1.15 118.94 115.39 1isi s TRP 111 Ca -0.14 0.88 -0.30 0.00 2.66 0.00 0.00 56.10 59.21 1isi s TRP 111 Cb -0.08 0.42 0.19 0.00 -3.10 0.00 0.00 33.47 30.91 1isi s TRP 111 CO -0.01 -0.42 1.36 0.00 -2.66 0.00 0.00 176.95 175.22 1isi s ARG 113 N -1.10 2.75 0.57 0.00 3.52 -1.26 -1.39 118.95 122.03 1isi s ARG 113 Ca 0.09 -0.16 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 1isi s ARG 113 Cb -0.01 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1isi s ARG 113 CO -0.08 -0.78 1.08 -0.65 -0.81 0.00 0.00 175.30 174.07 1isi s GLN 114 N -4.99 3.35 0.14 5.12 -0.21 -0.38 -4.44 119.66 118.26 1isi s GLN 114 Ca 0.55 1.38 -0.23 0.00 0.02 0.00 0.00 55.36 57.08 1isi s GLN 114 Cb -0.11 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.89 1isi s GLN 114 CO 0.44 -0.81 1.64 0.87 -2.12 0.00 0.00 175.29 175.30 1isi h LYS 115 N 0.82 -0.24 0.00 2.91 1.57 -1.95 -3.26 116.57 116.42 1isi h LYS 115 Ca -0.48 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1isi h LYS 115 Cb 1.24 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1isi h LYS 115 CO 0.57 -0.16 -0.48 0.00 -0.57 0.00 0.00 179.45 178.81 1isi n ALA 116 N -2.76 3.18 -2.76 3.86 0.00 -1.26 -4.83 120.51 115.94 1isi n ALA 116 Ca -0.02 -2.97 -0.09 0.00 0.00 0.00 0.00 53.44 50.37 1isi n ALA 116 Cb 0.28 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 1isi n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1isi s ASP 117 N -2.92 0.29 0.52 0.00 2.15 -1.23 -5.05 116.67 110.43 1isi s ASP 117 Ca 0.35 -0.61 0.30 0.00 0.43 0.00 0.00 52.55 53.02 1isi s ASP 117 Cb 0.34 0.13 1.07 0.00 -0.30 0.00 0.00 42.92 44.16 1isi s ASP 117 CO -0.06 -0.38 1.88 0.77 -0.17 0.00 0.00 175.17 177.20 1isi h SER 118 N 4.23 0.00 -4.27 -0.34 4.64 -1.96 -3.26 113.55 112.59 1isi h SER 118 Ca -0.32 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.50 1isi h SER 118 Cb 1.19 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.35 1isi h SER 118 CO 0.47 0.00 0.38 -0.83 -0.87 0.00 0.00 176.83 175.99 1isi s GLY 119 N -4.19 1.89 0.43 -0.77 0.00 -1.26 -4.77 107.32 98.65 1isi s GLY 119 Ca 0.03 0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 1isi s GLY 119 CO 0.58 0.51 1.20 1.08 0.00 0.00 0.00 173.10 176.47 1isi s LEU 120 N -4.94 4.12 -0.50 0.66 1.43 -1.26 -1.24 118.68 116.94 1isi s LEU 120 Ca 0.60 2.40 -0.20 0.00 -1.03 0.00 0.00 54.13 55.90 1isi s LEU 120 Cb -0.14 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.04 1isi s LEU 120 CO 0.45 -0.83 0.65 -0.62 0.23 0.00 0.00 176.35 176.23 1isi s ASP 121 N -1.14 6.24 0.00 2.29 -1.08 -0.49 -4.69 116.67 117.80 1isi s ASP 121 Ca 0.60 -0.82 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1isi s ASP 121 Cb -0.32 -2.30 0.79 0.00 -1.46 0.00 0.00 42.92 39.63 1isi s ASP 121 CO 0.39 -0.91 1.59 -1.22 0.52 0.00 0.00 175.17 175.54 1isi n TYR 122 N 6.28 0.00 -0.07 -5.34 4.02 -1.26 -0.96 117.16 119.83 1isi n TYR 122 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.72 1isi n TYR 122 Cb 0.46 -0.05 -0.09 0.00 -0.02 0.00 0.00 39.34 39.63 1isi n TYR 122 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1isi h GLN 123 N 2.03 0.00 -2.67 -0.72 4.15 -1.90 -3.38 115.11 112.62 1isi h GLN 123 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1isi h GLN 123 Cb 0.56 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 1isi h GLN 123 CO 0.00 0.73 0.35 -1.54 -1.93 0.00 0.00 178.83 176.44 1isi s SER 124 N -6.12 -0.35 0.08 -0.69 1.04 -1.26 -3.60 113.70 102.80 1isi s SER 124 Ca -0.16 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1isi s SER 124 Cb -0.01 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 1isi s SER 124 CO 0.50 -0.96 -0.11 0.00 0.98 0.00 0.00 173.24 173.66 1isi s PRO 126 N -2.38 3.07 0.45 0.00 0.04 -1.26 -1.60 135.00 133.31 1isi s PRO 126 Ca 0.02 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1isi s PRO 126 Cb -0.05 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1isi s PRO 126 CO 0.01 -1.11 0.36 -0.08 0.04 0.00 0.00 177.00 176.21 1isi s THR 127 N -1.66 2.37 0.37 1.26 -1.32 -1.26 -4.77 115.64 110.63 1isi s THR 127 Ca 0.76 -1.43 0.10 0.00 -1.21 0.00 0.00 61.69 59.91 1isi s THR 127 Cb -0.28 -2.80 0.33 0.00 -1.51 0.00 0.00 72.50 68.24 1isi s THR 127 CO 0.32 0.00 1.89 0.77 -2.21 0.00 0.00 174.62 175.39 1isi h SER 128 N 1.02 0.59 -0.35 8.08 4.64 -1.90 -0.11 113.55 125.51 1isi h SER 128 Ca -0.40 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1isi h SER 128 Cb 1.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1isi h SER 128 CO 0.59 0.31 0.20 -0.33 -0.87 0.00 0.00 176.83 176.74 1isi h GLU 129 N 0.63 0.48 -0.59 4.77 4.39 -1.97 -2.72 114.58 119.56 1isi h GLU 129 Ca 0.41 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 1isi h GLU 129 Cb 0.70 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1isi h GLU 129 CO -0.17 0.37 0.29 -0.44 -1.16 0.00 0.00 179.01 177.90 1isi h ASP 130 N 0.45 0.77 -2.39 1.42 3.32 -1.44 -3.45 116.42 115.10 1isi h ASP 130 Ca 0.12 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.21 1isi h ASP 130 Cb 0.02 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 39.06 1isi h ASP 130 CO -0.02 0.68 0.75 0.00 -1.72 0.00 0.00 179.24 178.92 1isi h GLU 132 N 3.75 0.48 -2.78 0.00 4.81 -1.79 -3.33 114.58 115.71 1isi h GLU 132 Ca -0.27 -0.03 -0.74 0.00 -0.13 0.00 0.00 59.36 58.19 1isi h GLU 132 Cb 1.19 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.34 1isi h GLU 132 CO 0.17 0.32 2.45 0.09 -0.73 0.00 0.00 179.01 181.31 1isi n ASN 133 N -4.86 7.64 -4.91 1.04 3.02 -1.26 -4.69 115.26 111.23 1isi n ASN 133 Ca 0.02 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.18 1isi n ASN 133 Cb 0.08 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 37.82 1isi n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1isi s ASN 134 N 0.56 6.44 0.23 6.41 2.20 -1.25 -1.35 114.94 128.17 1isi s ASN 134 Ca 0.53 0.61 -0.09 0.00 -0.94 0.00 0.00 52.86 52.96 1isi s ASN 134 Cb 0.17 -2.10 0.35 0.00 -2.00 0.00 0.00 41.25 37.68 1isi s ASN 134 CO -0.08 -0.11 1.66 -0.65 -2.94 0.00 0.00 177.10 174.98 1isi h PRO 135 N 1.98 0.13 -0.19 3.55 0.11 -1.82 -2.23 132.00 133.53 1isi h PRO 135 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1isi h PRO 135 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1isi h PRO 135 CO 0.68 0.08 -0.04 0.28 -0.21 0.00 0.00 178.00 178.79 1isi h VAL 136 N 0.13 1.28 -0.37 3.15 2.07 -1.92 -2.05 116.25 118.53 1isi h VAL 136 Ca 0.36 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1isi h VAL 136 Cb 0.60 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1isi h VAL 136 CO -0.56 0.30 -0.02 0.44 0.02 0.00 0.00 177.57 177.75 1isi h ASP 137 N 0.09 0.66 -0.04 0.57 3.32 -1.88 -2.05 116.42 117.09 1isi h ASP 137 Ca 0.05 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1isi h ASP 137 Cb 0.47 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1isi h ASP 137 CO 0.02 0.82 -0.06 0.28 -1.72 0.00 0.00 179.24 178.57 1isi h SER 138 N 0.48 0.24 0.18 6.45 0.02 -1.45 -0.96 113.55 118.51 1isi h SER 138 Ca 0.10 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1isi h SER 138 Cb 0.49 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1isi h SER 138 CO 0.02 0.35 -0.09 0.15 -1.14 0.00 0.00 176.83 176.12 1isi h PHE 139 N 0.25 -0.22 0.00 3.45 3.57 -1.11 -1.96 116.94 120.92 1isi h PHE 139 Ca 0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1isi h PHE 139 Cb 0.28 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1isi h PHE 139 CO 0.00 0.06 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.53 1isi h TRP 140 N -0.49 0.00 0.14 0.41 4.06 -1.04 0.19 115.95 119.21 1isi h TRP 140 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1isi h TRP 140 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1isi h TRP 140 CO 0.01 0.12 -0.07 0.87 -3.56 0.00 0.00 178.44 175.81 1isi h LYS 141 N 0.00 -0.18 -0.33 0.49 1.57 -1.06 0.23 116.57 117.29 1isi h LYS 141 Ca -0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1isi h LYS 141 Cb 0.44 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1isi h LYS 141 CO 0.02 0.24 0.17 -0.09 -0.57 0.00 0.00 179.45 179.22 1isi h ARG 142 N -0.69 0.34 -0.48 3.15 9.65 -0.95 -1.59 114.38 123.81 1isi h ARG 142 Ca -0.02 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1isi h ARG 142 Cb 0.51 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1isi h ARG 142 CO 0.03 0.23 0.11 0.00 2.80 0.00 0.00 179.97 183.14 1isi h ALA 143 N 1.16 0.64 -0.09 2.80 0.00 -0.67 -2.44 119.26 120.66 1isi h ALA 143 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1isi h ALA 143 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1isi h ALA 143 CO -0.09 0.33 -0.36 0.66 0.00 0.00 0.00 179.25 179.79 1isi h SER 144 N 0.66 0.19 -0.23 0.00 4.64 -0.79 -0.61 113.55 117.41 1isi h SER 144 Ca 0.15 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1isi h SER 144 Cb 0.33 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1isi h SER 144 CO 0.00 0.55 0.08 0.40 -0.87 0.00 0.00 176.83 176.99 1isi h ILE 145 N 0.16 1.18 -0.48 0.95 2.04 -1.11 -1.35 117.51 118.90 1isi h ILE 145 Ca 0.02 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1isi h ILE 145 Cb 0.72 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1isi h ILE 145 CO 0.05 0.19 0.00 -0.61 0.00 0.00 0.00 178.15 177.78 1isi h GLN 146 N 0.21 0.84 -0.50 2.37 5.75 -1.19 -1.58 115.11 121.01 1isi h GLN 146 Ca 0.08 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1isi h GLN 146 Cb 0.21 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1isi h GLN 146 CO -0.00 0.89 0.26 -0.92 -2.65 0.00 0.00 178.83 176.40 1isi h TYR 147 N 0.70 0.48 0.06 3.99 3.20 -1.02 -1.59 116.97 122.78 1isi h TYR 147 Ca 0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1isi h TYR 147 Cb 0.51 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1isi h TYR 147 CO 0.04 0.24 -0.03 0.77 -1.64 0.00 0.00 178.16 177.54 1isi h SER 148 N 0.51 -0.07 -0.65 -2.11 0.02 -1.10 -2.92 113.55 107.22 1isi h SER 148 Ca 0.22 -0.22 0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1isi h SER 148 Cb 0.11 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1isi h SER 148 CO -0.14 0.18 0.43 0.11 -1.14 0.00 0.00 176.83 176.27 1isi h LYS 149 N -0.32 0.53 -0.26 3.45 1.57 -1.13 -2.25 116.57 118.16 1isi h LYS 149 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1isi h LYS 149 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1isi h LYS 149 CO 0.01 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.00 1isi n ASP 150 N -4.48 1.90 -4.87 0.86 8.00 -0.61 -4.69 116.55 112.66 1isi n ASP 150 Ca 0.10 -1.84 -0.33 0.00 0.71 0.00 0.00 54.79 53.44 1isi n ASP 150 Cb 0.32 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1isi n ASP 150 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1isi s SER 151 N -1.34 6.68 0.18 -2.24 0.01 -0.85 -4.40 113.70 111.75 1isi s SER 151 Ca 0.30 0.95 -0.15 0.00 1.31 0.00 0.00 55.95 58.36 1isi s SER 151 Cb 0.16 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1isi s SER 151 CO 0.23 -0.01 0.44 -0.94 0.41 0.00 0.00 173.24 173.37 1isi s SER 152 N -2.17 -0.15 0.00 2.44 1.04 -1.26 -4.67 113.70 108.93 1isi s SER 152 Ca 0.44 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1isi s SER 152 Cb -0.12 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1isi s SER 152 CO 0.21 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1isi n GLY 153 N -0.29 0.38 3.67 7.32 0.00 -0.67 -0.83 105.19 114.76 1isi n GLY 153 Ca -0.09 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1isi n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1isi s VAL 154 N 0.00 4.84 -0.21 1.61 1.01 -1.26 -0.53 120.40 125.86 1isi s VAL 154 Ca 0.00 1.74 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 1isi s VAL 154 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1isi s VAL 154 CO 0.00 -0.01 0.45 -0.63 0.00 0.00 0.00 175.10 174.91 1isi s ILE 155 N 2.29 5.16 -0.04 2.22 -1.09 0.18 -4.26 121.20 125.66 1isi s ILE 155 Ca 0.40 0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 59.62 1isi s ILE 155 Cb -0.17 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1isi s ILE 155 CO 0.12 0.21 0.00 -1.00 -1.23 0.00 0.00 174.94 173.04 1isi s HIS 156 N 1.53 3.12 -0.05 3.97 3.76 -1.12 -0.12 115.29 126.38 1isi s HIS 156 Ca 0.21 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 1isi s HIS 156 Cb -0.15 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.83 1isi s HIS 156 CO 0.09 0.46 -0.02 0.08 -0.85 0.00 0.00 174.74 174.50 1isi s VAL 157 N -0.99 0.41 -0.31 -0.90 1.01 -0.67 0.08 120.40 119.04 1isi s VAL 157 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1isi s VAL 157 Cb -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1isi s VAL 157 CO 0.06 0.22 0.12 -0.32 0.00 0.00 0.00 175.10 175.19 1isi s MET 158 N 1.29 3.22 0.19 2.72 1.75 0.63 -0.68 119.30 128.43 1isi s MET 158 Ca -0.05 -0.78 0.08 0.00 -1.25 0.00 0.00 55.69 53.68 1isi s MET 158 Cb -0.13 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 1isi s MET 158 CO -0.02 -0.43 -0.03 -0.51 -0.65 0.00 0.00 175.02 173.37 1isi s LEU 159 N 1.57 3.17 -0.43 4.11 1.43 0.07 -1.95 118.68 126.65 1isi s LEU 159 Ca 0.04 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1isi s LEU 159 Cb -0.17 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1isi s LEU 159 CO 0.05 0.08 0.38 0.21 0.23 0.00 0.00 176.35 177.29 1isi s ASN 160 N -3.05 6.15 0.00 2.29 3.84 -1.21 -0.87 114.94 122.09 1isi s ASN 160 Ca 0.27 -0.86 0.26 0.00 0.21 0.00 0.00 52.86 52.74 1isi s ASN 160 Cb -0.09 -2.19 1.45 0.00 -0.55 0.00 0.00 41.25 39.87 1isi s ASN 160 CO 0.18 -0.54 1.91 0.61 -2.79 0.00 0.00 177.10 176.47 1isi n GLY 161 N 5.15 -0.99 0.84 1.21 0.00 0.44 -2.85 105.19 108.98 1isi n GLY 161 Ca -0.10 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.88 1isi n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isi n SER 162 N -1.14 2.78 -4.69 1.61 7.64 -1.24 -1.47 113.62 117.10 1isi n SER 162 Ca 0.16 -1.85 -0.42 0.00 1.01 0.00 0.00 58.87 57.77 1isi n SER 162 Cb 0.15 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1isi n SER 162 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1isi s GLU 163 N -1.56 4.30 0.61 1.43 2.56 -1.13 -4.79 118.70 120.12 1isi s GLU 163 Ca 0.25 1.95 0.32 0.00 0.00 0.00 0.00 54.97 57.50 1isi s GLU 163 Cb 0.17 -3.54 1.85 0.00 2.00 0.00 0.00 34.13 34.61 1isi s GLU 163 CO 0.25 -0.54 2.17 -1.35 -0.56 0.00 0.00 175.26 175.22 1isi h PRO 164 N 7.69 0.00 -0.46 4.30 0.11 -1.93 -1.18 132.00 140.52 1isi h PRO 164 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1isi h PRO 164 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1isi h PRO 164 CO 0.89 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.93 1isi n THR 165 N -3.56 0.61 0.00 -1.15 -2.24 -1.26 -5.04 114.28 101.64 1isi n THR 165 Ca -0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1isi n THR 165 Cb 0.23 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1isi n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1isi n GLY 166 N 1.37 1.80 0.11 3.38 0.00 -0.45 -4.79 105.19 106.61 1isi n GLY 166 Ca 0.18 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 1isi n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isi h ALA 167 N 0.00 0.66 -3.66 4.61 0.00 -1.79 -3.43 119.26 115.64 1isi h ALA 167 Ca 0.00 -0.72 -0.68 0.00 0.00 0.00 0.00 54.91 53.51 1isi h ALA 167 Cb 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 17.32 1isi h ALA 167 CO 0.00 0.97 -0.74 -0.47 0.00 0.00 0.00 179.25 179.02 1isi s TYR 168 N -3.21 3.35 -0.36 0.00 5.04 -1.26 -4.45 117.35 116.45 1isi s TYR 168 Ca -0.01 -2.24 -0.29 0.00 -2.44 0.00 0.00 57.07 52.10 1isi s TYR 168 Cb 0.11 -2.20 0.02 0.00 0.35 0.00 0.00 41.96 40.24 1isi s TYR 168 CO 0.80 -0.86 1.08 -1.25 -1.34 0.00 0.00 175.55 173.97 1isi s PRO 169 N 1.14 3.96 0.45 4.97 0.04 -1.26 -4.85 135.00 139.45 1isi s PRO 169 Ca -0.04 0.90 0.31 0.00 0.04 0.00 0.00 61.00 62.20 1isi s PRO 169 Cb -0.20 -3.79 1.65 0.00 0.04 0.00 0.00 34.50 32.20 1isi s PRO 169 CO -0.04 -1.03 1.94 -0.84 0.04 0.00 0.00 177.00 177.07 1isi h ILE 170 N 5.87 0.00 -3.26 0.56 -0.00 -1.97 -3.39 117.51 115.32 1isi h ILE 170 Ca -0.21 -0.02 -0.63 0.00 -0.00 0.00 0.00 64.86 64.00 1isi h ILE 170 Cb 1.06 0.71 -0.34 0.00 -0.00 0.00 0.00 36.82 38.25 1isi h ILE 170 CO 1.05 0.00 -0.85 -0.54 -0.00 0.00 0.00 178.15 177.81 1isi s LYS 171 N -3.77 2.62 0.00 0.16 3.01 -1.26 -4.70 119.74 115.80 1isi s LYS 171 Ca -0.03 -0.71 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 1isi s LYS 171 Cb 0.09 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 1isi s LYS 171 CO 0.29 -0.00 0.00 0.41 0.51 0.00 0.00 175.35 176.56 1isi n GLY 172 N 4.02 -1.22 0.19 -3.33 0.00 -1.26 -4.93 105.19 98.65 1isi n GLY 172 Ca -0.20 -1.53 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 1isi n GLY 172 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1isi h PHE 173 N 0.00 0.53 -0.01 1.61 -1.00 -1.95 0.25 116.94 116.38 1isi h PHE 173 Ca 0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1isi h PHE 173 Cb 0.00 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.38 1isi h PHE 173 CO 0.00 0.33 0.00 0.35 -1.61 0.00 0.00 178.31 177.38 1isi h PHE 174 N 0.57 0.01 -0.15 -0.55 3.57 -1.92 0.21 116.94 118.70 1isi h PHE 174 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1isi h PHE 174 Cb -0.04 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1isi h PHE 174 CO -0.05 0.19 -0.07 0.00 -2.23 0.00 0.00 178.31 176.15 1isi h ALA 175 N 0.82 0.20 0.00 2.41 0.00 -1.78 -0.80 119.26 120.12 1isi h ALA 175 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1isi h ALA 175 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1isi h ALA 175 CO -0.00 0.00 -1.14 -0.25 0.00 0.00 0.00 179.25 177.87 1isi n ASP 176 N -4.65 0.71 0.00 0.00 8.00 0.87 -4.36 116.55 117.11 1isi n ASP 176 Ca -0.06 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1isi n ASP 176 Cb 0.29 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 1isi n ASP 176 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isi n TYR 177 N -2.56 0.00 -0.10 1.24 4.02 0.62 -4.77 117.16 115.62 1isi n TYR 177 Ca -0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1isi n TYR 177 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.81 1isi n TYR 177 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1isi n GLU 178 N -1.07 0.49 -0.15 -0.72 1.02 -0.41 -4.11 120.64 115.69 1isi n GLU 178 Ca 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1isi n GLU 178 Cb 0.00 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 1isi n GLU 178 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1isi h ILE 179 N -0.87 0.62 0.00 -3.67 2.04 -1.34 -0.40 117.51 113.88 1isi h ILE 179 Ca -0.30 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1isi h ILE 179 Cb 1.20 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1isi h ILE 179 CO -0.18 0.02 0.00 -2.65 0.00 0.00 0.00 178.15 175.34 1isi n PRO 180 N -5.23 0.05 -0.15 2.37 -0.02 -1.26 -2.69 135.00 128.07 1isi n PRO 180 Ca 0.05 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1isi n PRO 180 Cb 0.26 -1.61 0.13 0.00 -0.02 0.00 0.00 33.50 32.26 1isi n PRO 180 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1isi n ASN 181 N -1.70 2.76 -4.78 2.55 3.02 -0.18 -5.00 115.26 111.94 1isi n ASN 181 Ca 0.02 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.21 1isi n ASN 181 Cb 0.11 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1isi n ASN 181 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1isi s LEU 182 N -0.99 4.19 -0.82 3.41 1.43 -1.09 -3.01 118.68 121.81 1isi s LEU 182 Ca 0.20 2.07 -0.19 0.00 -1.03 0.00 0.00 54.13 55.18 1isi s LEU 182 Cb 0.10 -4.11 0.13 0.00 0.03 0.00 0.00 46.19 42.34 1isi s LEU 182 CO 0.13 -0.45 0.99 -1.10 0.23 0.00 0.00 176.35 176.15 1isi s GLN 183 N -2.36 3.43 0.25 1.70 -1.52 -1.26 -4.91 119.66 115.00 1isi s GLN 183 Ca 0.56 -1.63 -0.08 0.00 -1.95 0.00 0.00 55.36 52.26 1isi s GLN 183 Cb -0.23 -4.64 0.42 0.00 -0.22 0.00 0.00 33.01 28.34 1isi s GLN 183 CO 0.29 -1.68 1.61 0.87 -0.25 0.00 0.00 175.29 176.13 1isi h LYS 184 N 8.88 0.03 0.00 2.91 1.57 -1.93 0.52 116.57 128.55 1isi h LYS 184 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1isi h LYS 184 Cb 1.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1isi h LYS 184 CO 1.07 0.02 -0.02 1.05 -0.57 0.00 0.00 179.45 181.01 1isi h GLU 185 N 0.03 0.00 -0.11 3.15 9.09 -2.01 -1.99 114.58 122.74 1isi h GLU 185 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1isi h GLU 185 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1isi h GLU 185 CO -0.79 0.02 0.00 1.17 0.05 0.00 0.00 179.01 179.46 1isi n LYS 186 N -3.28 2.15 -4.41 1.06 4.81 0.18 -4.94 118.16 113.72 1isi n LYS 186 Ca -0.02 -1.91 -0.34 0.00 -0.87 0.00 0.00 58.31 55.17 1isi n LYS 186 Cb 0.13 -1.44 -0.12 0.00 0.02 0.00 0.00 35.03 33.62 1isi n LYS 186 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1isi s ILE 187 N -1.73 3.80 -0.02 3.15 1.01 -0.75 -1.66 121.20 124.99 1isi s ILE 187 Ca 0.28 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1isi s ILE 187 Cb 0.19 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1isi s ILE 187 CO 0.28 0.49 0.50 0.74 0.00 0.00 0.00 174.94 176.95 1isi h THR 188 N 5.20 0.00 -3.09 2.92 2.02 -1.11 -3.47 112.91 115.38 1isi h THR 188 Ca -0.31 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1isi h THR 188 Cb 1.19 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.52 1isi h THR 188 CO 0.62 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.68 1isi s ARG 189 N -2.57 1.58 -0.17 6.66 1.70 -1.24 -4.50 118.95 120.40 1isi s ARG 189 Ca -0.04 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1isi s ARG 189 Cb 0.00 0.58 -0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1isi s ARG 189 CO 0.13 -0.71 -0.13 0.42 -1.08 0.00 0.00 175.30 173.93 1isi s ILE 190 N -3.88 2.82 -0.18 4.99 1.01 -0.12 -0.65 121.20 125.20 1isi s ILE 190 Ca 0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1isi s ILE 190 Cb -0.04 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1isi s ILE 190 CO 0.01 0.50 -0.14 -0.70 0.00 0.00 0.00 174.94 174.60 1isi s GLU 191 N 0.98 3.20 -0.05 2.79 2.12 0.83 -2.04 118.70 126.54 1isi s GLU 191 Ca -0.02 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 1isi s GLU 191 Cb -0.15 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 1isi s GLU 191 CO -0.02 -0.09 0.16 0.42 -0.54 0.00 0.00 175.26 175.20 1isi s ILE 192 N 1.08 5.43 -0.22 -3.70 -1.09 0.41 -1.67 121.20 121.44 1isi s ILE 192 Ca -0.00 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.39 1isi s ILE 192 Cb -0.14 -3.48 0.05 0.00 -1.58 0.00 0.00 42.46 37.30 1isi s ILE 192 CO -0.04 0.42 -0.12 0.26 -1.23 0.00 0.00 174.94 174.23 1isi s TRP 193 N -1.22 2.83 -0.50 3.97 0.51 0.15 -0.24 118.94 124.42 1isi s TRP 193 Ca 0.23 -1.92 -0.16 0.00 -2.12 0.00 0.00 56.10 52.14 1isi s TRP 193 Cb -0.12 -1.80 0.10 0.00 -0.81 0.00 0.00 33.47 30.84 1isi s TRP 193 CO 0.14 -0.81 0.44 0.08 -0.51 0.00 0.00 176.95 176.29 1isi s VAL 194 N 1.26 5.19 0.01 4.03 1.01 0.06 -0.75 120.40 131.21 1isi s VAL 194 Ca -0.04 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1isi s VAL 194 Cb -0.17 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1isi s VAL 194 CO -0.08 -0.72 0.53 -0.04 0.00 0.00 0.00 175.10 174.79 1isi s MET 195 N 1.61 4.18 0.02 2.72 -1.94 -0.05 -0.87 119.30 124.96 1isi s MET 195 Ca 0.04 0.62 0.06 0.00 -1.71 0.00 0.00 55.69 54.69 1isi s MET 195 Cb -0.27 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1isi s MET 195 CO 0.05 0.53 -0.15 -1.01 -0.01 0.00 0.00 175.02 174.42 1isi s HIS 196 N -0.66 2.65 0.52 -0.03 3.76 -1.26 0.17 115.29 120.44 1isi s HIS 196 Ca 0.28 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.77 1isi s HIS 196 Cb -0.18 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1isi s HIS 196 CO 0.16 0.26 1.31 -1.21 -0.85 0.00 0.00 174.74 174.41 1isi s GLU 197 N -1.30 3.29 -0.01 1.40 0.41 -1.26 -4.86 118.70 116.37 1isi s GLU 197 Ca 0.15 2.12 -0.32 0.00 -0.41 0.00 0.00 54.97 56.51 1isi s GLU 197 Cb -0.11 -2.29 -0.10 0.00 -1.78 0.00 0.00 34.13 29.84 1isi s GLU 197 CO 0.05 -1.03 1.92 -0.89 -0.49 0.00 0.00 175.26 174.81 1isi n ILE 198 N -0.89 0.65 0.00 -1.63 2.08 -1.26 -0.15 119.36 118.15 1isi n ILE 198 Ca 0.10 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1isi n ILE 198 Cb 0.46 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.25 1isi n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1isi n GLY 199 N 4.45 0.97 3.28 7.39 0.00 -1.26 -4.91 105.19 115.10 1isi n GLY 199 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1isi n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isi n GLY 200 N -1.12 -2.51 3.77 -0.02 0.00 0.78 -4.92 105.19 101.17 1isi n GLY 200 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1isi n GLY 200 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1isi s PRO 201 N -3.63 4.06 -1.09 1.61 0.04 -1.26 -4.62 135.00 130.10 1isi s PRO 201 Ca 0.57 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 1isi s PRO 201 Cb -0.13 -2.64 0.29 0.00 0.04 0.00 0.00 34.50 32.05 1isi s PRO 201 CO 0.63 -0.30 1.22 -1.71 0.04 0.00 0.00 177.00 176.88 1isi n ASN 202 N 0.03 5.73 -0.09 6.66 5.15 -1.26 -3.96 115.26 127.51 1isi n ASN 202 Ca 0.05 -3.17 -0.11 0.00 -0.60 0.00 0.00 54.58 50.74 1isi n ASN 202 Cb 0.47 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 38.37 1isi n ASN 202 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1isi h VAL 203 N 3.58 1.23 -3.44 3.44 2.07 -1.56 -3.45 116.25 118.12 1isi h VAL 203 Ca 0.19 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 66.74 1isi h VAL 203 Cb 0.78 1.19 -0.26 0.00 -1.52 0.00 0.00 31.29 31.48 1isi h VAL 203 CO 1.11 0.25 -0.56 -1.61 0.02 0.00 0.00 177.57 176.78 1isi s GLU 204 N -5.21 0.19 0.42 1.57 2.02 -0.88 -5.01 118.70 111.79 1isi s GLU 204 Ca -0.13 0.11 0.04 0.00 0.02 0.00 0.00 54.97 55.00 1isi s GLU 204 Cb 0.08 0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1isi s GLU 204 CO 0.74 -0.03 0.04 -1.12 0.02 0.00 0.00 175.26 174.91 1isi s SER 205 N -0.11 3.44 0.16 -0.19 0.01 -1.26 -4.53 113.70 111.23 1isi s SER 205 Ca -0.02 -1.49 -0.33 0.00 1.31 0.00 0.00 55.95 55.42 1isi s SER 205 Cb -0.02 0.05 -0.17 0.00 0.21 0.00 0.00 66.02 66.10 1isi s SER 205 CO 0.00 -0.66 1.00 0.00 0.41 0.00 0.00 173.24 173.99 1isi n GLY 207 N 1.85 0.47 3.34 0.00 0.00 -1.26 -5.03 105.19 104.56 1isi n GLY 207 Ca 0.16 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1isi n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isi s GLU 208 N -1.06 2.13 4.51 1.61 2.02 -0.56 -4.53 118.70 122.81 1isi s GLU 208 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1isi s GLU 208 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1isi s GLU 208 CO 0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1isi n GLY 209 N 2.35 3.31 0.32 -1.39 0.00 -1.26 -1.29 105.19 107.22 1isi n GLY 209 Ca -0.16 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.15 1isi n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1isi h SER 210 N 0.00 0.00 0.27 1.61 4.64 -1.93 -0.74 113.55 117.40 1isi h SER 210 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1isi h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1isi h SER 210 CO 0.00 0.00 -0.26 0.24 -0.87 0.00 0.00 176.83 175.94 1isi h MET 211 N 0.00 0.00 -0.30 4.77 2.07 -1.52 -1.22 114.93 118.72 1isi h MET 211 Ca 0.05 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.52 1isi h MET 211 Cb 0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1isi h MET 211 CO -0.00 0.26 -0.43 -0.22 1.07 0.00 0.00 176.91 177.59 1isi h LYS 212 N 0.00 0.83 -0.22 1.72 3.64 -1.23 -0.95 116.57 120.34 1isi h LYS 212 Ca -0.00 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1isi h LYS 212 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1isi h LYS 212 CO 0.03 1.12 0.12 0.28 -2.27 0.00 0.00 179.45 178.73 1isi h VAL 213 N 0.60 1.11 0.11 2.00 2.07 -1.37 -0.70 116.25 120.07 1isi h VAL 213 Ca 0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1isi h VAL 213 Cb 1.03 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1isi h VAL 213 CO 0.10 0.11 -0.05 0.25 0.02 0.00 0.00 177.57 177.99 1isi h LEU 214 N 0.26 -0.13 -0.74 2.57 5.85 -1.22 -1.73 115.31 120.17 1isi h LEU 214 Ca 0.08 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1isi h LEU 214 Cb 0.06 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1isi h LEU 214 CO -0.01 0.00 0.36 -0.08 -0.34 0.00 0.00 178.44 178.37 1isi h GLU 215 N -0.25 0.58 -0.41 1.25 4.81 -1.07 -0.77 114.58 118.72 1isi h GLU 215 Ca -0.02 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1isi h GLU 215 Cb 0.20 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1isi h GLU 215 CO 0.03 0.39 0.10 -0.22 -0.73 0.00 0.00 179.01 178.57 1isi h LYS 216 N 0.60 0.67 -0.09 1.92 3.64 -0.95 -1.32 116.57 121.04 1isi h LYS 216 Ca 0.37 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1isi h LYS 216 Cb 0.42 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1isi h LYS 216 CO -0.29 0.69 0.03 -0.09 -2.27 0.00 0.00 179.45 177.51 1isi h ARG 217 N 0.53 0.14 -0.60 1.90 2.43 -0.70 0.21 114.38 118.29 1isi h ARG 217 Ca 0.13 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1isi h ARG 217 Cb 0.32 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1isi h ARG 217 CO 0.00 0.29 0.37 -0.07 -1.51 0.00 0.00 179.97 179.05 1isi h LEU 218 N -0.04 0.59 -0.72 3.80 3.38 -1.14 -0.97 115.31 120.21 1isi h LEU 218 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1isi h LEU 218 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1isi h LEU 218 CO -0.00 0.41 -0.22 0.11 0.09 0.00 0.00 178.44 178.83 1isi h LYS 219 N 0.72 0.75 0.00 1.13 1.57 -1.07 -2.12 116.57 117.55 1isi h LYS 219 Ca 0.24 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1isi h LYS 219 Cb 0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1isi h LYS 219 CO -0.11 0.90 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.13 1isi h ASP 220 N 0.65 0.00 0.63 0.86 3.32 0.03 -1.29 116.42 120.62 1isi h ASP 220 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1isi h ASP 220 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1isi h ASP 220 CO 0.06 0.11 -0.17 0.23 -1.72 0.00 0.00 179.24 177.74 1isi n MET 221 N -3.48 0.26 -0.25 3.56 2.81 -0.43 -4.93 117.12 114.67 1isi n MET 221 Ca -0.01 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1isi n MET 221 Cb 0.26 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1isi n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1isi n GLY 222 N 1.41 0.87 3.82 3.03 0.00 -0.49 -5.08 105.19 108.75 1isi n GLY 222 Ca 0.09 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1isi n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1isi s PHE 223 N -2.00 3.64 0.06 1.61 0.40 -0.85 -5.02 117.98 115.83 1isi s PHE 223 Ca 0.00 1.36 -0.30 0.00 -0.60 0.00 0.00 56.93 57.39 1isi s PHE 223 Cb 0.00 -2.60 -0.05 0.00 0.51 0.00 0.00 43.02 40.89 1isi s PHE 223 CO 0.00 0.34 1.04 -0.65 0.70 0.00 0.00 175.22 176.66 1isi s GLN 224 N -1.97 4.57 0.12 0.44 -1.52 -1.26 -4.43 119.66 115.60 1isi s GLN 224 Ca 0.43 1.55 0.09 0.00 -1.95 0.00 0.00 55.36 55.48 1isi s GLN 224 Cb -0.16 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 1isi s GLN 224 CO 0.21 -0.02 -0.23 -0.47 -0.25 0.00 0.00 175.29 174.52 1isi s TYR 225 N 0.63 2.01 -0.17 0.91 5.04 -1.26 -0.95 117.35 123.56 1isi s TYR 225 Ca 0.52 -0.40 -0.23 0.00 -2.44 0.00 0.00 57.07 54.51 1isi s TYR 225 Cb -0.25 -1.08 0.06 0.00 0.35 0.00 0.00 41.96 41.04 1isi s TYR 225 CO 0.30 0.28 0.61 -1.54 -1.34 0.00 0.00 175.55 173.86 1isi s SER 226 N -2.06 -0.62 -0.03 4.32 1.04 -0.87 -4.97 113.70 110.52 1isi s SER 226 Ca 0.11 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.60 1isi s SER 226 Cb -0.10 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1isi s SER 226 CO 0.05 -0.33 -0.09 0.00 0.98 0.00 0.00 173.24 173.85 1isi s ILE 228 N 0.26 1.44 0.03 0.00 1.01 0.67 -4.95 121.20 119.66 1isi s ILE 228 Ca -0.04 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 1isi s ILE 228 Cb -0.09 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1isi s ILE 228 CO 0.01 0.43 0.91 0.20 0.00 0.00 0.00 174.94 176.48 1isi s ASN 229 N 0.93 7.34 -1.26 3.58 0.01 -1.26 -0.76 114.94 123.52 1isi s ASN 229 Ca -0.08 1.61 -0.21 0.00 -0.71 0.00 0.00 52.86 53.48 1isi s ASN 229 Cb -0.15 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.98 1isi s ASN 229 CO -0.00 -0.14 0.60 0.47 -1.51 0.00 0.00 177.10 176.51 1isi n ASP 230 N 3.37 -3.30 -4.73 -1.22 8.00 -0.05 -4.75 116.55 113.86 1isi n ASP 230 Ca 0.03 -1.16 -0.62 0.00 0.71 0.00 0.00 54.79 53.74 1isi n ASP 230 Cb 0.50 -2.43 -0.08 0.00 -0.02 0.00 0.00 41.12 39.09 1isi n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isi n TYR 231 N -4.62 1.92 -0.27 1.24 9.36 -1.26 -4.62 117.16 118.90 1isi n TYR 231 Ca -0.16 0.82 0.05 0.00 3.32 0.00 0.00 57.90 61.93 1isi n TYR 231 Cb 0.61 -2.35 0.15 0.00 -0.63 0.00 0.00 39.34 37.11 1isi n TYR 231 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1isi h ARG 232 N 6.19 0.07 -0.85 2.98 9.65 -1.98 -1.52 114.38 128.92 1isi h ARG 232 Ca -0.45 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.50 1isi h ARG 232 Cb 1.34 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.84 1isi h ARG 232 CO 0.97 0.04 0.51 -1.35 2.80 0.00 0.00 179.97 182.94 1isi h PRO 233 N 0.07 0.86 -0.19 0.20 0.11 -2.00 -0.46 132.00 130.58 1isi h PRO 233 Ca 0.42 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.30 1isi h PRO 233 Cb 0.72 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1isi h PRO 233 CO -0.72 0.57 -0.60 0.28 -0.21 0.00 0.00 178.00 177.32 1isi h VAL 234 N 0.88 1.32 -0.81 3.15 2.07 -1.73 -2.82 116.25 118.31 1isi h VAL 234 Ca 0.39 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1isi h VAL 234 Cb 0.28 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1isi h VAL 234 CO -0.21 0.58 0.46 0.50 0.02 0.00 0.00 177.57 178.92 1isi h LYS 235 N 0.47 1.11 -0.99 1.57 1.63 -0.65 -0.85 116.57 118.85 1isi h LYS 235 Ca -0.00 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1isi h LYS 235 Cb 1.17 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 1isi h LYS 235 CO 0.12 0.80 0.65 -0.07 -3.45 0.00 0.00 179.45 177.50 1isi h LEU 236 N 1.11 1.13 -0.29 5.20 3.38 -0.98 0.56 115.31 125.42 1isi h LEU 236 Ca 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1isi h LEU 236 Cb -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1isi h LEU 236 CO -0.05 0.82 0.10 0.25 0.09 0.00 0.00 178.44 179.65 1isi h LEU 237 N 1.34 0.42 -0.94 1.67 5.85 -1.11 -2.59 115.31 119.94 1isi h LEU 237 Ca 0.36 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1isi h LEU 237 Cb -0.15 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1isi h LEU 237 CO -0.08 0.50 0.60 1.56 -0.34 0.00 0.00 178.44 180.68 1isi h GLN 238 N 0.31 1.09 0.00 1.25 4.20 -0.55 -2.12 115.11 119.29 1isi h GLN 238 Ca 0.09 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1isi h GLN 238 Cb 0.23 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1isi h GLN 238 CO -0.00 0.72 -0.01 0.00 -0.67 0.00 0.00 178.83 178.86 1isi h VAL 240 N 0.00 0.64 -0.45 0.00 2.07 -1.14 0.13 116.25 117.50 1isi h VAL 240 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1isi h VAL 240 Cb 0.11 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1isi h VAL 240 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1isi n ASP 241 N -4.20 3.54 -2.71 0.57 8.00 -1.05 -4.37 116.55 116.33 1isi n ASP 241 Ca 0.09 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.51 1isi n ASP 241 Cb 0.59 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1isi n ASP 241 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1isi n HIS 242 N 1.50 0.08 0.27 1.24 8.25 0.38 -4.97 115.22 121.97 1isi n HIS 242 Ca 0.20 -2.64 0.13 0.00 -0.26 0.00 0.00 57.72 55.16 1isi n HIS 242 Cb 0.61 0.16 0.78 0.00 1.12 0.00 0.00 29.99 32.66 1isi n HIS 242 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1isi h SER 243 N 2.76 0.00 -0.43 0.41 4.64 -1.58 -2.43 113.55 116.91 1isi h SER 243 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1isi h SER 243 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1isi h SER 243 CO 0.35 0.08 0.00 0.35 -0.87 0.00 0.00 176.83 176.74 1isi n THR 244 N -3.73 0.57 -2.95 2.95 -2.24 -1.26 -4.60 114.28 103.01 1isi n THR 244 Ca -0.02 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.63 1isi n THR 244 Cb 0.19 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1isi n THR 244 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1isi s HIS 245 N -1.43 3.90 0.41 4.78 5.04 -0.92 -4.96 115.29 122.11 1isi s HIS 245 Ca 0.40 1.66 0.15 0.00 -1.54 0.00 0.00 55.06 55.72 1isi s HIS 245 Cb 0.22 -2.79 1.01 0.00 0.04 0.00 0.00 32.58 31.06 1isi s HIS 245 CO 0.31 0.49 1.89 -1.00 -2.34 0.00 0.00 174.74 174.09 1isi h PRO 246 N 4.21 0.46 0.00 2.88 0.13 -1.92 0.21 132.00 137.98 1isi h PRO 246 Ca -0.47 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1isi h PRO 246 Cb 1.20 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1isi h PRO 246 CO 0.66 0.31 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.27 1isi h ASP 247 N 0.48 0.00 -0.09 1.44 3.45 -1.93 -2.73 116.42 117.04 1isi h ASP 247 Ca 0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1isi h ASP 247 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1isi h ASP 247 CO -0.16 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.53 1isi s ALA 249 N -1.23 3.57 0.16 0.00 0.00 -0.96 -4.92 121.76 118.38 1isi s ALA 249 Ca 0.20 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 1isi s ALA 249 Cb 0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1isi s ALA 249 CO 0.19 -0.76 0.46 -0.51 0.00 0.00 0.00 175.76 175.14 1isi s LEU 250 N -1.30 4.26 0.00 0.00 1.43 -1.26 -5.08 118.68 116.73 1isi s LEU 250 Ca 0.54 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 1isi s LEU 250 Cb -0.42 -3.36 0.39 0.00 0.03 0.00 0.00 46.19 42.83 1isi s LEU 250 CO 0.51 0.04 0.85 0.29 0.23 0.00 0.00 176.35 178.27