#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 0.58 -3.35 -0.99 1.74 -1.22 -4.82 116.66 108.59 1isi n ARG 3 Ca 0.00 -0.17 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 1isi n ARG 3 Cb 0.00 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1isi n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1isi s ALA 4 N -3.31 3.91 0.51 7.54 0.00 0.67 -4.94 121.76 126.14 1isi s ALA 4 Ca -0.07 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 1isi s ALA 4 Cb 0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.25 1isi s ALA 4 CO 0.79 -0.11 1.28 -1.83 0.00 0.00 0.00 175.76 175.88 1isi s GLU 5 N -4.31 3.39 1.30 0.00 -1.05 -1.26 -1.00 118.70 115.77 1isi s GLU 5 Ca 0.44 2.05 -0.19 0.00 -0.15 0.00 0.00 54.97 57.12 1isi s GLU 5 Cb -0.10 -2.32 0.32 0.00 -0.44 0.00 0.00 34.13 31.59 1isi s GLU 5 CO 0.34 -0.93 0.99 0.20 0.95 0.00 0.00 175.26 176.82 1isi s GLY 6 N -1.11 1.48 0.37 -3.83 0.00 -1.23 -3.25 107.32 99.75 1isi s GLY 6 Ca 0.68 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 1isi s GLY 6 CO 0.43 0.26 1.35 -0.51 0.00 0.00 0.00 173.10 174.63 1isi s THR 7 N -2.48 2.50 0.29 0.90 -4.23 -0.23 -4.56 115.64 107.84 1isi s THR 7 Ca 0.69 0.49 -0.30 0.00 -1.18 0.00 0.00 61.69 61.39 1isi s THR 7 Cb -0.16 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.26 1isi s THR 7 CO 0.60 0.10 1.59 -1.20 -0.54 0.00 0.00 174.62 175.17 1isi n SER 8 N 0.49 3.82 -4.77 3.99 7.64 0.52 -4.67 113.62 120.64 1isi n SER 8 Ca 0.01 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.65 1isi n SER 8 Cb 0.42 -1.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.02 1isi n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1isi s ALA 9 N -0.02 3.23 -1.65 -0.43 0.00 -1.26 -2.67 121.76 118.96 1isi s ALA 9 Ca 0.64 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 1isi s ALA 9 Cb -0.50 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1isi s ALA 9 CO 0.49 -0.78 0.21 0.72 0.00 0.00 0.00 175.76 176.40 1isi n HIS 10 N 0.10 -1.30 -0.23 0.00 8.25 -1.26 -4.89 115.22 115.89 1isi n HIS 10 Ca 0.04 0.18 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 1isi n HIS 10 Cb 0.44 -4.06 0.12 0.00 1.12 0.00 0.00 29.99 27.61 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 -0.48 -0.36 -0.09 2.41 5.85 -1.90 -1.07 115.31 119.68 1isi h LEU 11 Ca -0.49 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1isi h LEU 11 Cb 1.35 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1isi h LEU 11 CO 0.56 -0.16 0.05 -0.09 -0.34 0.00 0.00 178.44 178.46 1isi h ARG 12 N 0.09 0.12 -0.85 1.25 2.43 -1.90 0.81 114.38 116.34 1isi h ARG 12 Ca 0.36 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1isi h ARG 12 Cb 0.61 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1isi h ARG 12 CO -0.61 0.16 0.47 -0.44 -1.51 0.00 0.00 179.97 178.03 1isi h ASP 13 N 0.06 1.07 -0.26 -3.80 3.32 -1.81 -0.78 116.42 114.21 1isi h ASP 13 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1isi h ASP 13 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1isi h ASP 13 CO -0.01 0.86 0.03 0.40 -1.72 0.00 0.00 179.24 178.81 1isi h ILE 14 N 1.19 1.24 0.09 0.35 2.04 -1.02 -0.92 117.51 120.48 1isi h ILE 14 Ca 0.30 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1isi h ILE 14 Cb 0.03 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1isi h ILE 14 CO -0.05 0.26 -0.23 0.15 0.00 0.00 0.00 178.15 178.29 1isi h PHE 15 N 0.25 -0.60 -0.55 1.37 3.57 -0.57 -1.14 116.94 119.27 1isi h PHE 15 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1isi h PHE 15 Cb 0.35 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1isi h PHE 15 CO 0.03 -0.32 0.03 -0.07 -2.23 0.00 0.00 178.31 175.74 1isi h LEU 16 N -0.41 0.89 -0.16 0.59 3.38 -1.13 -1.13 115.31 117.35 1isi h LEU 16 Ca 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1isi h LEU 16 Cb 0.44 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1isi h LEU 16 CO -0.14 0.94 0.04 1.23 0.09 0.00 0.00 178.44 180.60 1isi h GLY 17 N 1.00 0.28 1.01 0.83 0.00 -0.96 0.60 103.07 105.84 1isi h GLY 17 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1isi h GLY 17 CO 0.02 0.16 0.46 3.21 0.00 0.00 0.00 176.54 180.39 1isi h ARG 18 N 0.08 1.10 -0.19 4.80 3.08 -1.13 0.68 114.38 122.80 1isi h ARG 18 Ca 0.05 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1isi h ARG 18 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1isi h ARG 18 CO -0.00 0.79 0.08 0.00 -1.07 0.00 0.00 179.97 179.77 1isi h ALA 20 N 0.93 0.62 -0.36 0.00 0.00 -0.45 -2.21 119.26 117.78 1isi h ALA 20 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1isi h ALA 20 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1isi h ALA 20 CO -0.01 -0.00 -0.18 0.93 0.00 0.00 0.00 179.25 179.99 1isi h GLU 21 N 0.59 0.68 -0.15 0.00 5.08 -0.67 -2.98 114.58 117.13 1isi h GLU 21 Ca 0.19 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1isi h GLU 21 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1isi h GLU 21 CO -0.08 0.82 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.63 1isi h TYR 22 N 0.61 0.28 -1.00 4.33 3.20 -0.64 -2.94 116.97 120.81 1isi h TYR 22 Ca 0.09 -0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.15 1isi h TYR 22 Cb 0.65 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.75 1isi h TYR 22 CO 0.03 0.46 0.63 0.00 -1.64 0.00 0.00 178.16 177.63 1isi h ARG 23 N 0.24 0.52 0.00 1.82 3.08 -1.24 0.68 114.38 119.48 1isi h ARG 23 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1isi h ARG 23 Cb 0.50 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1isi h ARG 23 CO 0.03 0.35 -0.09 0.00 -1.07 0.00 0.00 179.97 179.19 1isi h ALA 24 N 1.64 1.26 -0.08 0.04 0.00 -1.67 -1.40 119.26 119.05 1isi h ALA 24 Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1isi h ALA 24 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1isi h ALA 24 CO -0.33 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1isi n LEU 25 N -3.56 0.99 -4.92 0.00 4.77 0.24 -4.87 117.00 109.65 1isi n LEU 25 Ca -0.02 -0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 55.27 1isi n LEU 25 Cb 0.21 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1isi n LEU 25 CO 0.29 0.20 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.70 1isi s LEU 26 N -1.67 4.32 0.49 2.23 1.43 -0.53 -5.07 118.68 119.88 1isi s LEU 26 Ca 0.33 0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 1isi s LEU 26 Cb 0.17 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1isi s LEU 26 CO 0.27 0.10 1.32 -0.94 0.23 0.00 0.00 176.35 177.33 1isi s SER 27 N -2.67 5.70 0.38 2.29 1.04 -1.26 -4.65 113.70 114.52 1isi s SER 27 Ca 0.37 2.68 0.14 0.00 0.48 0.00 0.00 55.95 59.62 1isi s SER 27 Cb -0.12 -2.63 0.97 0.00 0.10 0.00 0.00 66.02 64.34 1isi s SER 27 CO 0.27 -1.27 1.81 -0.65 0.98 0.00 0.00 173.24 174.39 1isi h PRO 28 N 1.90 0.51 0.00 4.02 0.11 -1.96 0.22 132.00 136.80 1isi h PRO 28 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1isi h PRO 28 Cb 1.28 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1isi h PRO 28 CO 0.59 0.34 -0.01 1.49 -0.21 0.00 0.00 178.00 180.20 1isi h GLU 29 N 0.53 0.00 0.00 1.05 4.81 -2.03 -2.94 114.58 116.00 1isi h GLU 29 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1isi h GLU 29 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1isi h GLU 29 CO -0.26 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.07 1isi n GLN 30 N -3.78 0.91 0.03 1.92 6.02 0.41 -4.72 117.38 118.17 1isi n GLN 30 Ca -0.03 -0.90 0.05 0.00 -0.01 0.00 0.00 57.00 56.11 1isi n GLN 30 Cb 0.10 -0.92 0.21 0.00 1.02 0.00 0.00 30.24 30.65 1isi n GLN 30 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1isi n ARG 31 N -0.22 0.03 -2.12 -1.09 0.63 0.50 -4.40 116.66 110.00 1isi n ARG 31 Ca 0.00 0.43 -0.29 0.00 -0.92 0.00 0.00 57.85 57.07 1isi n ARG 31 Cb 0.17 -1.59 -0.05 0.00 0.45 0.00 0.00 32.46 31.44 1isi n ARG 31 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1isi s ASN 32 N -3.23 5.27 -0.04 6.15 3.04 -1.26 -4.91 114.94 119.97 1isi s ASN 32 Ca 0.02 -1.22 0.04 0.00 0.04 0.00 0.00 52.86 51.74 1isi s ASN 32 Cb 0.05 -2.57 -0.00 0.00 -1.54 0.00 0.00 41.25 37.18 1isi s ASN 32 CO 0.14 -2.72 -0.16 -0.54 -3.04 0.00 0.00 177.10 170.78 1isi s LYS 33 N 6.51 1.63 -0.71 0.43 -0.14 -1.26 -5.09 119.74 121.11 1isi s LYS 33 Ca 0.67 -0.57 -0.13 0.00 -1.36 0.00 0.00 55.97 54.58 1isi s LYS 33 Cb -0.03 -1.44 0.18 0.00 -1.68 0.00 0.00 37.83 34.86 1isi s LYS 33 CO 0.05 0.25 0.63 0.34 -0.76 0.00 0.00 175.35 175.86 1isi s ASP 34 N -0.01 6.38 0.25 2.83 -1.08 -1.26 -4.93 116.67 118.85 1isi s ASP 34 Ca -0.02 -2.43 -0.04 0.00 -0.52 0.00 0.00 52.55 49.54 1isi s ASP 34 Cb -0.10 -2.16 0.37 0.00 -1.46 0.00 0.00 42.92 39.57 1isi s ASP 34 CO 0.02 -0.63 1.86 0.00 0.52 0.00 0.00 175.17 176.94 1isi h THR 36 N 1.06 1.26 -0.41 0.00 2.02 -1.97 0.31 112.91 115.18 1isi h THR 36 Ca 0.40 -1.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 1isi h THR 36 Cb 0.18 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1isi h THR 36 CO -0.18 0.38 -0.29 0.00 0.37 0.00 0.00 175.52 175.80 1isi h ALA 37 N 1.12 0.71 -0.85 6.16 0.00 -1.80 -1.50 119.26 123.09 1isi h ALA 37 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1isi h ALA 37 Cb 0.42 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1isi h ALA 37 CO 0.01 0.67 0.43 0.82 0.00 0.00 0.00 179.25 181.18 1isi h ILE 38 N 0.75 1.26 -0.41 0.00 2.04 -0.29 -1.06 117.51 119.80 1isi h ILE 38 Ca 0.08 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1isi h ILE 38 Cb 0.86 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1isi h ILE 38 CO 0.08 0.30 0.18 -0.25 0.00 0.00 0.00 178.15 178.46 1isi h TRP 39 N 1.20 0.60 -0.83 1.37 2.91 -0.63 -1.63 115.95 118.94 1isi h TRP 39 Ca 0.29 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 1isi h TRP 39 Cb 0.09 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 1isi h TRP 39 CO 0.01 0.51 0.46 0.93 -1.03 0.00 0.00 178.44 179.32 1isi h GLU 40 N 0.51 1.15 -0.63 2.65 4.39 -0.75 0.35 114.58 122.25 1isi h GLU 40 Ca 0.14 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1isi h GLU 40 Cb 0.14 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1isi h GLU 40 CO -0.02 0.84 0.09 0.00 -1.16 0.00 0.00 179.01 178.76 1isi h ALA 41 N 1.35 0.84 -0.73 3.43 0.00 -0.96 -2.54 119.26 120.65 1isi h ALA 41 Ca 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1isi h ALA 41 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1isi h ALA 41 CO -0.05 0.62 0.40 0.35 0.00 0.00 0.00 179.25 180.57 1isi h PHE 42 N 0.97 1.02 0.00 0.00 3.57 -0.65 -2.56 116.94 119.29 1isi h PHE 42 Ca 0.19 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1isi h PHE 42 Cb 0.45 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1isi h PHE 42 CO 0.03 0.72 -0.08 0.87 -2.23 0.00 0.00 178.31 177.63 1isi h LYS 43 N 1.02 0.00 -0.63 1.11 1.57 -0.55 -2.69 116.57 116.40 1isi h LYS 43 Ca 0.26 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1isi h LYS 43 Cb 0.05 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1isi h LYS 43 CO -0.04 0.08 0.25 0.28 -0.57 0.00 0.00 179.45 179.45 1isi h VAL 44 N 0.00 0.78 0.00 0.50 2.07 -1.11 0.17 116.25 118.66 1isi h VAL 44 Ca -0.00 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1isi h VAL 44 Cb 0.15 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1isi h VAL 44 CO 0.01 0.08 -0.59 0.00 0.02 0.00 0.00 177.57 177.09 1isi h ALA 45 N 1.42 0.79 -0.09 1.67 0.00 -1.61 -3.30 119.26 118.13 1isi h ALA 45 Ca 0.32 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1isi h ALA 45 Cb 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1isi h ALA 45 CO -0.30 0.74 -0.13 1.25 0.00 0.00 0.00 179.25 180.80 1isi h LEU 46 N 0.00 0.28 -4.54 0.00 5.85 -0.84 -3.34 115.31 112.72 1isi h LEU 46 Ca -0.01 -0.52 -0.27 0.00 0.84 0.00 0.00 57.88 57.92 1isi h LEU 46 Cb 1.22 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1isi h LEU 46 CO 0.08 0.75 0.92 0.47 -0.34 0.00 0.00 178.44 180.32 1isi n ASP 47 N -4.61 5.03 -3.87 1.25 10.43 0.43 -3.99 116.55 121.23 1isi n ASP 47 Ca -0.07 -2.33 -0.13 0.00 2.57 0.00 0.00 54.79 54.83 1isi n ASP 47 Cb 0.36 -1.19 -0.08 0.00 1.84 0.00 0.00 41.12 42.05 1isi n ASP 47 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1isi s LYS 48 N 1.86 1.47 0.13 -1.24 1.02 -1.26 -5.02 119.74 116.70 1isi s LYS 48 Ca 0.53 -1.66 -0.32 0.00 0.02 0.00 0.00 55.97 54.55 1isi s LYS 48 Cb 0.22 0.34 -0.12 0.00 -0.52 0.00 0.00 37.83 37.75 1isi s LYS 48 CO -0.02 -0.54 1.78 -3.47 -0.92 0.00 0.00 175.35 172.18 1isi n ASP 49 N -0.70 3.85 0.00 2.83 2.03 -1.26 -4.53 116.55 118.76 1isi n ASP 49 Ca 0.02 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1isi n ASP 49 Cb 0.64 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1isi n ASP 49 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1isi n PRO 50 N 5.01 0.00 -0.32 -0.67 -0.04 -1.26 -0.05 135.00 137.67 1isi n PRO 50 Ca 0.18 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1isi n PRO 50 Cb 0.35 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.70 1.07 -4.66 0.00 7.64 0.93 -4.49 113.62 113.41 1isi n SER 52 Ca 0.08 -2.56 -0.38 0.00 1.01 0.00 0.00 58.87 57.02 1isi n SER 52 Cb 0.68 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.17 5.26 0.18 0.44 1.01 -0.52 -4.84 120.40 120.76 1isi s VAL 53 Ca 0.23 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1isi s VAL 53 Cb 0.23 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1isi s VAL 53 CO -0.05 0.28 0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1isi s LEU 54 N 1.29 3.67 0.28 3.92 1.43 -1.26 -4.11 118.68 123.91 1isi s LEU 54 Ca 0.14 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1isi s LEU 54 Cb -0.14 -2.28 0.55 0.00 0.03 0.00 0.00 46.19 44.35 1isi s LEU 54 CO 0.07 0.06 1.84 -0.65 0.23 0.00 0.00 176.35 177.90 1isi h PRO 55 N 2.34 0.97 0.00 1.29 0.11 -1.96 0.49 132.00 135.25 1isi h PRO 55 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1isi h PRO 55 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1isi h PRO 55 CO 0.62 0.64 0.00 0.66 -0.21 0.00 0.00 178.00 179.71 1isi h SER 56 N 1.00 0.00 0.48 -2.05 4.64 -1.95 -0.59 113.55 115.07 1isi h SER 56 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1isi h SER 56 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1isi h SER 56 CO -0.25 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.18 1isi n ASP 57 N -3.04 0.62 -1.41 4.97 8.00 0.16 -1.54 116.55 124.31 1isi n ASP 57 Ca -0.02 0.70 0.11 0.00 0.71 0.00 0.00 54.79 56.29 1isi n ASP 57 Cb 0.14 -0.81 0.33 0.00 -0.02 0.00 0.00 41.12 40.76 1isi n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isi n TYR 58 N -2.23 1.08 -0.21 1.24 4.02 -0.23 -4.34 117.16 116.49 1isi n TYR 58 Ca 0.01 -0.52 -0.03 0.00 -0.01 0.00 0.00 57.90 57.35 1isi n TYR 58 Cb 0.16 -0.05 0.07 0.00 -0.02 0.00 0.00 39.34 39.51 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 4.27 0.50 -0.24 7.72 3.32 -1.41 -0.77 116.42 129.81 1isi h ASP 59 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1isi h ASP 59 Cb 1.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1isi h ASP 59 CO 0.05 0.34 0.09 -0.07 -1.72 0.00 0.00 179.24 177.92 1isi h LEU 60 N 0.64 0.34 -0.52 1.55 3.38 -1.82 -0.42 115.31 118.45 1isi h LEU 60 Ca 0.26 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1isi h LEU 60 Cb 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1isi h LEU 60 CO -0.16 0.42 0.14 0.15 0.09 0.00 0.00 178.44 179.08 1isi h PHE 61 N 0.23 0.23 -0.16 1.13 3.57 -1.67 -0.81 116.94 119.46 1isi h PHE 61 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1isi h PHE 61 Cb 0.20 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1isi h PHE 61 CO -0.01 0.03 0.05 0.82 -2.23 0.00 0.00 178.31 176.97 1isi h ILE 62 N 0.28 1.18 -0.62 1.41 1.08 -0.95 -2.40 117.51 117.50 1isi h ILE 62 Ca 0.26 -0.57 0.09 0.00 -0.39 0.00 0.00 64.86 64.25 1isi h ILE 62 Cb 0.34 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 1isi h ILE 62 CO -0.31 0.17 0.26 0.74 -0.69 0.00 0.00 178.15 178.32 1isi h THR 63 N 0.07 0.80 0.00 -0.27 2.02 -0.42 0.31 112.91 115.42 1isi h THR 63 Ca 0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1isi h THR 63 Cb 0.23 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1isi h THR 63 CO -0.00 0.08 -0.09 -0.07 0.37 0.00 0.00 175.52 175.81 1isi h LEU 64 N 0.46 0.00 -0.05 2.58 3.38 -1.09 -3.29 115.31 117.29 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 0.09 -0.45 -1.54 0.09 0.00 0.00 178.44 176.34 1isi n SER 65 N -3.19 0.52 -4.73 -0.43 3.41 -0.79 -4.75 113.62 103.65 1isi n SER 65 Ca 0.01 -0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 1isi n SER 65 Cb 0.40 0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 65.31 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 -1.17 2.46 -3.96 4.33 0.63 0.10 -4.50 116.66 114.55 1isi n ARG 66 Ca 0.02 0.87 -0.09 0.00 -0.92 0.00 0.00 57.85 57.72 1isi n ARG 66 Cb 0.16 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.43 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 -0.43 0.35 0.58 -0.14 -3.43 -1.26 -5.04 115.29 105.92 1isi s HIS 67 Ca 0.61 -0.70 -0.16 0.00 -0.80 0.00 0.00 55.06 54.02 1isi s HIS 67 Cb -0.54 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 1isi s HIS 67 CO 0.54 -0.87 1.04 -1.54 -2.00 0.00 0.00 174.74 171.91 1isi s SER 68 N -2.99 5.94 -0.16 7.38 1.04 -1.26 -5.05 113.70 118.60 1isi s SER 68 Ca 0.20 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1isi s SER 68 Cb 0.01 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1isi s SER 68 CO 0.04 -1.06 -0.11 -0.63 0.98 0.00 0.00 173.24 172.47 1isi s ILE 69 N -2.52 3.07 0.46 -1.02 1.01 -1.26 -5.09 121.20 115.85 1isi s ILE 69 Ca 0.62 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1isi s ILE 69 Cb -0.15 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 1isi s ILE 69 CO 0.37 0.50 1.29 -2.65 0.00 0.00 0.00 174.94 174.44 1isi n PRO 70 N 3.97 1.87 -1.74 2.79 -0.02 -1.26 -4.78 135.00 135.82 1isi n PRO 70 Ca -0.18 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1isi n PRO 70 Cb 0.52 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1isi n PRO 70 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1isi n ARG 71 N -0.23 1.95 -0.91 -0.52 0.63 -1.26 -2.09 116.66 114.23 1isi n ARG 71 Ca 0.07 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1isi n ARG 71 Cb 0.41 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1isi n ARG 71 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1isi n ASP 72 N -0.48 -4.42 -0.39 6.15 8.00 -0.21 -4.81 116.55 120.39 1isi n ASP 72 Ca 0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.66 1isi n ASP 72 Cb 0.43 -2.90 -0.00 0.00 -0.02 0.00 0.00 41.12 38.62 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 -0.06 1.58 -2.36 -1.24 4.76 -0.89 -4.80 118.16 115.16 1isi n LYS 73 Ca 0.00 -0.85 -0.38 0.00 -2.87 0.00 0.00 58.31 54.21 1isi n LYS 73 Cb 0.34 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.02 6.61 -0.19 4.39 0.01 -1.26 0.39 113.70 121.63 1isi s SER 74 Ca 0.14 2.27 -0.05 0.00 1.31 0.00 0.00 55.95 59.63 1isi s SER 74 Cb 0.14 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.83 1isi s SER 74 CO 0.44 -0.61 0.09 -0.22 0.41 0.00 0.00 173.24 173.36 1isi s LEU 75 N -2.48 0.39 0.45 2.44 2.96 -1.26 -2.90 118.68 118.28 1isi s LEU 75 Ca 0.57 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1isi s LEU 75 Cb -0.29 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.14 1isi s LEU 75 CO 0.36 -0.36 0.65 -0.36 -1.32 0.00 0.00 176.35 175.32 1isi s PHE 76 N 2.13 3.12 0.12 5.38 0.40 0.87 -4.40 117.98 125.60 1isi s PHE 76 Ca 0.03 0.08 -0.26 0.00 -0.60 0.00 0.00 56.93 56.18 1isi s PHE 76 Cb -0.16 -2.35 0.07 0.00 0.51 0.00 0.00 43.02 41.10 1isi s PHE 76 CO -0.13 -0.40 1.02 1.67 0.70 0.00 0.00 175.22 178.08 1isi s TRP 77 N -2.52 -0.11 -0.15 0.36 1.48 -1.26 -0.26 118.94 116.48 1isi s TRP 77 Ca 0.50 -0.16 -0.11 0.00 -1.06 0.00 0.00 56.10 55.26 1isi s TRP 77 Cb -0.10 0.62 0.04 0.00 -1.16 0.00 0.00 33.47 32.88 1isi s TRP 77 CO 0.37 -0.73 0.38 -1.21 -4.06 0.00 0.00 176.95 171.70 1isi s GLU 78 N -3.10 0.41 -1.55 3.25 0.41 -0.97 -4.80 118.70 112.35 1isi s GLU 78 Ca 0.13 0.61 -0.14 0.00 -0.41 0.00 0.00 54.97 55.15 1isi s GLU 78 Cb -0.00 0.12 0.09 0.00 -1.78 0.00 0.00 34.13 32.56 1isi s GLU 78 CO 0.01 -0.09 0.93 0.09 -0.49 0.00 0.00 175.26 175.71 1isi n ASN 79 N 3.39 -4.63 -2.68 -0.19 3.02 -1.26 -3.51 115.26 109.40 1isi n ASN 79 Ca -0.17 -0.77 -0.02 0.00 -0.03 0.00 0.00 54.58 53.58 1isi n ASN 79 Cb 0.56 -3.71 0.13 0.00 -0.61 0.00 0.00 39.78 36.15 1isi n ASN 79 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1isi n SER 80 N -2.77 -1.40 -0.17 6.41 3.41 -1.26 -4.57 113.62 113.27 1isi n SER 80 Ca 0.04 -2.23 -0.12 0.00 -0.26 0.00 0.00 58.87 56.30 1isi n SER 80 Cb 0.52 0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 65.07 1isi n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1isi h HIS 81 N 1.11 -1.56 -0.43 7.33 6.17 -1.97 -0.42 115.15 125.38 1isi h HIS 81 Ca -0.43 0.08 -0.08 0.00 0.71 0.00 0.00 60.37 60.65 1isi h HIS 81 Cb 1.30 0.75 -0.02 0.00 2.52 0.00 0.00 27.41 31.96 1isi h HIS 81 CO -0.04 -0.47 -0.07 -0.07 0.71 0.00 0.00 177.93 178.00 1isi h LEU 82 N -0.33 0.71 -0.47 0.26 3.38 -1.99 -1.99 115.31 114.87 1isi h LEU 82 Ca 0.11 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1isi h LEU 82 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1isi h LEU 82 CO -0.63 0.82 -0.15 0.25 0.09 0.00 0.00 178.44 178.81 1isi h LEU 83 N 0.67 0.95 -0.23 1.67 5.85 -1.88 -1.83 115.31 120.52 1isi h LEU 83 Ca 0.12 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1isi h LEU 83 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1isi h LEU 83 CO 0.03 1.11 0.09 0.58 -0.34 0.00 0.00 178.44 179.91 1isi h VAL 84 N 0.79 1.17 -0.67 1.05 2.07 -0.93 -0.57 116.25 119.15 1isi h VAL 84 Ca 0.12 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1isi h VAL 84 Cb 0.72 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1isi h VAL 84 CO 0.05 0.17 0.44 0.78 0.02 0.00 0.00 177.57 179.03 1isi h ASN 85 N 0.22 0.74 -0.19 0.57 -0.26 -1.27 -0.84 115.58 114.56 1isi h ASN 85 Ca 0.08 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1isi h ASN 85 Cb 0.18 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1isi h ASN 85 CO -0.01 0.52 -0.07 0.28 -1.06 0.00 0.00 177.43 177.09 1isi h SER 86 N 0.87 0.38 -0.52 5.81 0.02 -1.23 -2.87 113.55 116.01 1isi h SER 86 Ca 0.26 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1isi h SER 86 Cb -0.05 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1isi h SER 86 CO -0.08 0.69 0.26 0.15 -1.14 0.00 0.00 176.83 176.72 1isi h PHE 87 N 0.07 0.74 -0.21 3.45 -0.00 -0.96 -2.47 116.94 117.57 1isi h PHE 87 Ca 0.04 -0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.00 1isi h PHE 87 Cb 0.54 -0.23 -0.01 0.00 -0.00 0.00 0.00 35.95 36.25 1isi h PHE 87 CO 0.06 0.57 0.14 0.00 -0.00 0.00 0.00 178.31 179.08 1isi h ALA 88 N 1.10 1.95 -6.12 2.41 0.00 -1.18 -3.42 119.26 114.01 1isi h ALA 88 Ca 0.18 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.67 1isi h ALA 88 Cb 0.09 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 17.93 1isi h ALA 88 CO -0.03 0.02 -0.92 -3.47 0.00 0.00 0.00 179.25 174.85 1isi n ASP 89 N -4.50 -5.21 -3.92 0.00 2.03 -0.93 -1.16 116.55 102.86 1isi n ASP 89 Ca 0.01 -0.97 -0.27 0.00 0.52 0.00 0.00 54.79 54.08 1isi n ASP 89 Cb 0.14 -3.65 -0.01 0.00 -0.72 0.00 0.00 41.12 36.88 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 -2.77 -1.10 0.00 1.67 5.15 -1.26 -1.06 115.26 115.88 1isi n ASN 90 Ca -0.10 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 1isi n ASN 90 Cb 0.60 -3.03 0.00 0.00 -0.53 0.00 0.00 39.78 36.82 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 -0.22 -0.44 -2.24 -1.19 -4.90 114.28 100.90 1isi n THR 91 Ca -0.28 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1isi n THR 91 Cb 0.67 -0.02 0.10 0.00 -2.10 0.00 0.00 70.33 68.98 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 2.00 1.05 0.00 -0.78 2.43 -0.88 -3.37 114.38 114.83 1isi h ARG 92 Ca 0.00 -0.23 -0.35 0.00 -0.81 0.00 0.00 59.98 58.59 1isi h ARG 92 Cb 0.00 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 1isi h ARG 92 CO 0.00 0.91 -2.14 0.54 -1.51 0.00 0.00 179.97 177.77 1isi n ARG 93 N -4.25 0.46 -4.10 0.20 1.74 -0.31 -5.04 116.66 105.36 1isi n ARG 93 Ca 0.05 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.23 1isi n ARG 93 Cb 0.24 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.76 -0.70 -1.55 0.40 -1.19 -4.98 117.98 108.31 1isi s PHE 94 Ca -0.30 -1.10 0.05 0.00 -0.60 0.00 0.00 56.93 54.98 1isi s PHE 94 Cb 0.11 -0.35 0.19 0.00 0.51 0.00 0.00 43.02 43.49 1isi s PHE 94 CO 0.38 -0.61 0.59 -0.12 0.70 0.00 0.00 175.22 176.15 1isi n MET 95 N -0.17 2.09 -1.17 0.44 1.56 0.16 -3.58 117.12 116.45 1isi n MET 95 Ca -0.05 -4.55 -0.29 0.00 -0.27 0.00 0.00 57.70 52.55 1isi n MET 95 Cb 0.64 -2.29 0.17 0.00 2.15 0.00 0.00 33.22 33.89 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 -1.76 0.51 0.48 2.12 0.04 -1.26 -4.11 135.00 131.02 1isi s PRO 96 Ca 0.29 0.55 0.20 0.00 0.04 0.00 0.00 61.00 62.08 1isi s PRO 96 Cb 0.01 -1.74 1.22 0.00 0.04 0.00 0.00 34.50 34.03 1isi s PRO 96 CO -0.12 -2.69 1.96 1.25 0.04 0.00 0.00 177.00 177.44 1isi h LEU 97 N -1.86 0.19 -0.66 -3.56 5.85 -1.94 0.24 115.31 113.58 1isi h LEU 97 Ca -0.54 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1isi h LEU 97 Cb 1.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1isi h LEU 97 CO 0.57 0.10 0.00 -1.54 -0.34 0.00 0.00 178.44 177.23 1isi n SER 98 N -4.43 0.57 -1.15 1.25 3.41 -1.26 -1.99 113.62 110.01 1isi n SER 98 Ca 0.12 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.38 1isi n SER 98 Cb 0.56 -0.77 0.23 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.14 3.38 -4.32 4.04 8.00 0.85 -3.25 116.55 123.11 1isi n ASP 99 Ca 0.02 -3.37 -0.31 0.00 0.71 0.00 0.00 54.79 51.83 1isi n ASP 99 Cb 0.20 -0.61 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.04 2.24 0.19 2.53 1.01 -0.84 -4.80 120.40 117.69 1isi s VAL 100 Ca 0.45 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1isi s VAL 100 Cb 0.38 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 35.06 1isi s VAL 100 CO 0.06 0.58 1.46 -0.11 0.00 0.00 0.00 175.10 177.09 1isi n LEU 101 N 2.61 -0.78 0.30 3.92 7.94 -1.26 0.01 117.00 129.73 1isi n LEU 101 Ca -0.17 1.67 0.19 0.00 -1.11 0.00 0.00 56.01 56.59 1isi n LEU 101 Cb 0.52 -0.31 0.85 0.00 0.53 0.00 0.00 43.42 45.01 1isi n LEU 101 CO 0.24 -1.44 1.05 0.10 -1.11 0.00 0.00 177.39 176.24 1isi h TYR 102 N 0.00 0.00 0.10 1.96 -0.00 -1.88 -2.71 116.97 114.44 1isi h TYR 102 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.63 1isi h TYR 102 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.20 1isi h TYR 102 CO -0.89 0.01 -1.92 0.41 -0.00 0.00 0.00 178.16 175.76 1isi n GLY 103 N -0.33 -0.66 0.36 0.10 0.00 0.14 -4.26 105.19 100.53 1isi n GLY 103 Ca -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.06 1.03 0.00 1.61 9.65 -0.11 -1.85 114.38 124.77 1isi h ARG 104 Ca -0.39 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1isi h ARG 104 Cb 2.03 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.38 1isi h ARG 104 CO 0.09 0.68 0.00 -0.39 2.80 0.00 0.00 179.97 183.15 1isi h VAL 105 N 1.06 0.00 0.00 0.20 -1.51 -1.68 -3.26 116.25 111.05 1isi h VAL 105 Ca 0.46 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1isi h VAL 105 Cb 0.32 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1isi h VAL 105 CO -0.22 0.00 -0.74 0.00 -1.23 0.00 0.00 177.57 175.38 1isi n ALA 106 N -1.80 2.88 -1.66 5.19 0.00 -0.80 -4.69 120.51 119.63 1isi n ALA 106 Ca 0.03 -0.24 -0.55 0.00 0.00 0.00 0.00 53.44 52.68 1isi n ALA 106 Cb 0.27 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.41 2.09 0.00 0.00 4.64 -0.76 -0.73 116.55 120.37 1isi n ASP 107 Ca 0.01 1.09 0.00 0.00 -1.38 0.00 0.00 54.79 54.51 1isi n ASP 107 Cb 0.17 -1.17 0.00 0.00 -1.04 0.00 0.00 41.12 39.08 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 4.12 0.00 -2.18 -0.67 3.01 -1.26 -5.00 117.46 115.48 1isi n PHE 108 Ca 0.23 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.40 1isi n PHE 108 Cb 0.16 -0.20 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 3.15 0.03 4.37 1.43 0.09 -5.06 118.68 122.69 1isi s LEU 109 Ca 0.00 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1isi s LEU 109 Cb 0.00 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1isi s LEU 109 CO 0.00 -1.09 -0.05 -0.55 0.23 0.00 0.00 176.35 174.89 1isi s SER 110 N -4.29 0.49 -0.11 2.29 0.15 -1.26 -4.99 113.70 105.97 1isi s SER 110 Ca 0.55 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1isi s SER 110 Cb -0.11 0.06 0.11 0.00 -1.71 0.00 0.00 66.02 64.38 1isi s SER 110 CO 0.48 -0.23 0.90 -1.66 1.20 0.00 0.00 173.24 173.93 1isi s TRP 111 N -1.31 -0.44 0.00 3.44 -2.14 -1.26 -0.36 118.94 116.87 1isi s TRP 111 Ca -0.12 0.70 0.00 0.00 2.66 0.00 0.00 56.10 59.33 1isi s TRP 111 Cb -0.09 0.45 0.00 0.00 -3.10 0.00 0.00 33.47 30.73 1isi s TRP 111 CO -0.00 -0.44 0.00 0.00 -2.66 0.00 0.00 176.95 173.85 1isi s ARG 113 N -1.91 3.77 0.52 0.00 3.00 -1.26 -0.49 118.95 122.58 1isi s ARG 113 Ca 0.00 0.29 -0.23 0.00 -1.00 0.00 0.00 55.73 54.79 1isi s ARG 113 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 34.95 32.32 1isi s ARG 113 CO 0.00 0.19 1.35 1.04 0.00 0.00 0.00 175.30 177.88 1isi n GLN 114 N -0.63 1.78 -0.22 5.12 6.02 0.25 -4.28 117.38 125.41 1isi n GLN 114 Ca 0.01 0.65 0.02 0.00 -0.01 0.00 0.00 57.00 57.66 1isi n GLN 114 Cb 0.53 -2.55 0.13 0.00 1.02 0.00 0.00 30.24 29.38 1isi n GLN 114 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1isi h LYS 115 N 1.60 0.41 0.00 -1.09 1.63 -1.95 -3.30 116.57 113.86 1isi h LYS 115 Ca -0.50 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 1isi h LYS 115 Cb 1.30 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1isi h LYS 115 CO 0.58 0.27 -1.23 0.00 -3.45 0.00 0.00 179.45 175.62 1isi n ALA 116 N -2.49 2.16 -2.80 5.00 0.00 -1.26 -4.87 120.51 116.25 1isi n ALA 116 Ca 0.11 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1isi n ALA 116 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.62 6.32 0.41 0.00 -1.08 -1.24 -5.01 116.67 113.45 1isi s ASP 117 Ca -0.02 0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 1isi s ASP 117 Cb 0.03 -1.96 0.31 0.00 -1.46 0.00 0.00 42.92 39.84 1isi s ASP 117 CO 0.20 -0.17 1.55 0.77 0.52 0.00 0.00 175.17 178.04 1isi h SER 118 N 1.12 0.00 -4.21 -0.34 4.64 -1.96 -3.30 113.55 109.49 1isi h SER 118 Ca -0.50 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.32 1isi h SER 118 Cb 1.22 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.44 1isi h SER 118 CO 0.62 0.00 0.30 -0.83 -0.87 0.00 0.00 176.83 176.05 1isi s GLY 119 N -4.22 1.64 0.46 -0.77 0.00 -1.26 -4.70 107.32 98.48 1isi s GLY 119 Ca 0.06 0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 1isi s GLY 119 CO 0.68 0.44 1.11 1.08 0.00 0.00 0.00 173.10 176.41 1isi s LEU 120 N -5.98 3.97 -0.60 0.66 1.43 -1.26 -0.58 118.68 116.31 1isi s LEU 120 Ca 0.62 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.67 1isi s LEU 120 Cb -0.17 -4.34 0.09 0.00 0.03 0.00 0.00 46.19 41.80 1isi s LEU 120 CO 0.56 -0.85 0.77 -0.62 0.23 0.00 0.00 176.35 176.44 1isi s ASP 121 N -1.58 6.19 0.00 2.29 -1.08 0.35 -4.57 116.67 118.27 1isi s ASP 121 Ca 0.64 -1.21 0.22 0.00 -0.52 0.00 0.00 52.55 51.68 1isi s ASP 121 Cb -0.24 -2.34 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 1isi s ASP 121 CO 0.29 -1.18 1.64 -1.22 0.52 0.00 0.00 175.17 175.21 1isi n TYR 122 N 6.73 0.13 -0.08 -5.34 4.02 -1.26 -1.06 117.16 120.29 1isi n TYR 122 Ca -0.07 -0.07 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1isi n TYR 122 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.64 1isi n TYR 122 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1isi n GLN 123 N 0.08 0.62 -3.50 -0.72 7.27 -1.26 -4.41 117.38 115.47 1isi n GLN 123 Ca 0.17 0.43 -0.09 0.00 0.07 0.00 0.00 57.00 57.57 1isi n GLN 123 Cb 0.29 -1.69 -0.02 0.00 2.41 0.00 0.00 30.24 31.22 1isi n GLN 123 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1isi s SER 124 N -6.98 -0.40 0.08 1.69 1.04 -1.26 -3.53 113.70 104.35 1isi s SER 124 Ca -0.29 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.20 1isi s SER 124 Cb 0.07 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1isi s SER 124 CO 0.62 -0.66 -0.10 0.00 0.98 0.00 0.00 173.24 174.09 1isi s PRO 126 N -2.32 3.58 0.49 0.00 0.04 -1.26 -0.24 135.00 135.29 1isi s PRO 126 Ca 0.01 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.97 1isi s PRO 126 Cb -0.06 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1isi s PRO 126 CO 0.00 -0.72 0.54 0.95 0.04 0.00 0.00 177.00 177.81 1isi s THR 127 N -1.52 2.32 0.54 1.26 -4.23 -1.26 -4.68 115.64 108.06 1isi s THR 127 Ca 0.66 -1.22 0.22 0.00 -1.18 0.00 0.00 61.69 60.18 1isi s THR 127 Cb -0.30 -2.54 0.35 0.00 1.34 0.00 0.00 72.50 71.34 1isi s THR 127 CO 0.36 0.00 2.07 0.77 -0.54 0.00 0.00 174.62 177.28 1isi h SER 128 N 0.65 0.00 -0.13 3.99 4.64 -1.90 -0.63 113.55 120.16 1isi h SER 128 Ca -0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 1isi h SER 128 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1isi h SER 128 CO 0.50 0.00 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.80 1isi h GLU 129 N 0.00 0.45 -0.80 4.77 4.39 -1.97 -3.16 114.58 118.27 1isi h GLU 129 Ca 0.14 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1isi h GLU 129 Cb 0.57 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1isi h GLU 129 CO -0.00 0.93 0.48 -0.44 -1.16 0.00 0.00 179.01 178.82 1isi h ASP 130 N 0.04 0.96 -2.58 1.42 3.32 -1.58 -3.45 116.42 114.55 1isi h ASP 130 Ca -0.01 -0.07 0.17 0.00 0.02 0.00 0.00 57.03 57.14 1isi h ASP 130 Cb 0.95 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 39.95 1isi h ASP 130 CO 0.07 0.75 0.79 0.00 -1.72 0.00 0.00 179.24 179.13 1isi h GLU 132 N 3.16 0.41 -3.18 0.00 4.81 -1.79 -3.35 114.58 114.65 1isi h GLU 132 Ca -0.24 -0.10 -0.72 0.00 -0.13 0.00 0.00 59.36 58.17 1isi h GLU 132 Cb 1.19 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 1isi h GLU 132 CO 0.18 0.52 2.87 0.09 -0.73 0.00 0.00 179.01 181.93 1isi n ASN 133 N -4.71 6.81 -4.94 1.04 3.02 -1.26 -4.71 115.26 110.52 1isi n ASN 133 Ca -0.03 -2.92 -0.26 0.00 -0.03 0.00 0.00 54.58 51.34 1isi n ASN 133 Cb 0.19 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 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 1.50 6.36 0.16 6.41 4.22 -1.26 -1.44 114.94 130.89 1isi s ASN 134 Ca 0.54 0.32 -0.24 0.00 -2.14 0.00 0.00 52.86 51.33 1isi s ASN 134 Cb 0.15 -1.97 0.03 0.00 1.28 0.00 0.00 41.25 40.74 1isi s ASN 134 CO -0.06 -0.05 1.60 -0.65 -2.04 0.00 0.00 177.10 175.90 1isi h PRO 135 N 1.83 -0.29 0.16 3.55 0.11 -1.83 -1.79 132.00 133.74 1isi h PRO 135 Ca -0.49 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1isi h PRO 135 Cb 1.20 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1isi h PRO 135 CO 0.67 -0.20 -0.08 0.28 -0.21 0.00 0.00 178.00 178.46 1isi h VAL 136 N -0.31 0.91 -0.70 3.15 2.07 -1.93 -1.38 116.25 118.06 1isi h VAL 136 Ca 0.15 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1isi h VAL 136 Cb 0.55 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1isi h VAL 136 CO -0.49 0.07 0.38 0.44 0.02 0.00 0.00 177.57 177.99 1isi h ASP 137 N -0.35 0.88 -0.19 0.57 3.32 -1.89 -1.87 116.42 116.89 1isi h ASP 137 Ca -0.02 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1isi h ASP 137 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1isi h ASP 137 CO 0.04 0.73 -0.07 0.28 -1.72 0.00 0.00 179.24 178.50 1isi h SER 138 N 0.97 0.50 0.38 6.45 0.02 -1.31 -2.12 113.55 118.43 1isi h SER 138 Ca 0.25 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1isi h SER 138 Cb 0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1isi h SER 138 CO -0.04 0.61 -0.18 0.15 -1.14 0.00 0.00 176.83 176.23 1isi h PHE 139 N 0.49 -0.47 0.00 3.45 3.57 -0.58 -2.08 116.94 121.32 1isi h PHE 139 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1isi h PHE 139 Cb 0.42 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1isi h PHE 139 CO 0.01 -0.24 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.21 1isi h TRP 140 N -0.60 0.00 0.09 0.41 4.06 -1.25 0.67 115.95 119.33 1isi h TRP 140 Ca -0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 1isi h TRP 140 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1isi h TRP 140 CO -0.03 0.16 -0.04 0.87 -3.56 0.00 0.00 178.44 175.84 1isi h LYS 141 N 0.00 -0.12 -0.65 0.49 1.57 -1.25 0.54 116.57 117.16 1isi h LYS 141 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1isi h LYS 141 Cb 0.32 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1isi h LYS 141 CO 0.02 0.24 0.38 -0.09 -0.57 0.00 0.00 179.45 179.44 1isi h ARG 142 N -0.49 0.89 -0.39 3.15 9.65 -0.91 -1.88 114.38 124.41 1isi h ARG 142 Ca -0.01 -0.09 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1isi h ARG 142 Cb 0.41 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1isi h ARG 142 CO 0.02 0.65 -0.11 0.00 2.80 0.00 0.00 179.97 183.33 1isi h ALA 143 N 1.19 0.54 -0.08 2.80 0.00 -0.87 -2.48 119.26 120.36 1isi h ALA 143 Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1isi h ALA 143 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1isi h ALA 143 CO -0.04 0.41 -0.29 0.66 0.00 0.00 0.00 179.25 179.99 1isi h SER 144 N 0.56 0.13 -0.13 0.00 4.64 -0.74 -0.20 113.55 117.82 1isi h SER 144 Ca 0.10 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1isi h SER 144 Cb 0.63 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1isi h SER 144 CO 0.04 0.43 -0.00 0.40 -0.87 0.00 0.00 176.83 176.83 1isi h ILE 145 N 0.12 1.26 -0.32 0.95 2.04 -1.19 -1.53 117.51 118.83 1isi h ILE 145 Ca 0.02 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1isi h ILE 145 Cb 0.58 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1isi h ILE 145 CO 0.04 0.24 0.11 -0.61 0.00 0.00 0.00 178.15 177.94 1isi h GLN 146 N -0.04 0.49 -0.88 2.37 5.75 -1.19 -0.36 115.11 121.25 1isi h GLN 146 Ca 0.04 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1isi h GLN 146 Cb 0.37 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 1isi h GLN 146 CO 0.01 0.52 0.54 -0.92 -2.65 0.00 0.00 178.83 176.33 1isi h TYR 147 N 0.37 1.00 -0.13 3.99 3.20 -1.00 -0.39 116.97 124.01 1isi h TYR 147 Ca 0.11 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1isi h TYR 147 Cb 0.22 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1isi h TYR 147 CO 0.00 0.48 -0.09 0.77 -1.64 0.00 0.00 178.16 177.68 1isi h SER 148 N 0.96 0.31 -0.78 -2.11 0.02 -1.02 -2.77 113.55 108.17 1isi h SER 148 Ca 0.40 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1isi h SER 148 Cb 0.24 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1isi h SER 148 CO -0.20 0.69 0.51 0.11 -1.14 0.00 0.00 176.83 176.81 1isi h LYS 149 N -0.06 0.89 -0.19 3.45 1.57 -0.60 -2.49 116.57 119.13 1isi h LYS 149 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1isi h LYS 149 Cb 0.59 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1isi h LYS 149 CO 0.03 0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 179.24 1isi n ASP 150 N -4.46 1.67 -4.85 0.86 8.00 -0.20 -4.76 116.55 112.81 1isi n ASP 150 Ca 0.11 -1.75 -0.33 0.00 0.71 0.00 0.00 54.79 53.52 1isi n ASP 150 Cb 0.15 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.47 6.79 0.22 -2.24 0.01 -0.94 -4.40 113.70 111.67 1isi s SER 151 Ca 0.31 1.18 -0.13 0.00 1.31 0.00 0.00 55.95 58.61 1isi s SER 151 Cb 0.16 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1isi s SER 151 CO 0.24 -0.08 0.44 -0.94 0.41 0.00 0.00 173.24 173.31 1isi s SER 152 N -2.10 -0.09 0.29 2.44 1.04 -1.26 -4.74 113.70 109.27 1isi s SER 152 Ca 0.48 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1isi s SER 152 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1isi s SER 152 CO 0.19 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1isi n GLY 153 N -0.33 0.81 3.69 7.32 0.00 -0.38 -1.04 105.19 115.26 1isi n GLY 153 Ca -0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 4.81 -0.20 1.61 1.01 -1.26 -1.13 120.40 125.24 1isi s VAL 154 Ca 0.00 2.01 -0.13 0.00 0.00 0.00 0.00 61.98 63.85 1isi s VAL 154 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1isi s VAL 154 CO 0.00 0.04 0.28 -0.63 0.00 0.00 0.00 175.10 174.79 1isi s ILE 155 N 1.81 5.29 -0.05 2.22 -1.09 0.13 -4.17 121.20 125.34 1isi s ILE 155 Ca 0.48 0.47 0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1isi s ILE 155 Cb -0.19 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1isi s ILE 155 CO 0.19 0.33 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.18 1isi s HIS 156 N 0.96 2.99 -0.06 3.97 3.76 -1.14 -0.14 115.29 125.62 1isi s HIS 156 Ca 0.14 0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1isi s HIS 156 Cb -0.14 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.88 1isi s HIS 156 CO 0.05 0.38 -0.03 0.08 -0.85 0.00 0.00 174.74 174.37 1isi s VAL 157 N -0.89 0.52 -0.32 -0.90 1.01 -0.49 -0.09 120.40 119.24 1isi s VAL 157 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1isi s VAL 157 Cb -0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1isi s VAL 157 CO 0.04 0.25 0.16 -0.32 0.00 0.00 0.00 175.10 175.23 1isi s MET 158 N 1.34 3.29 0.19 2.72 1.75 0.64 -0.52 119.30 128.73 1isi s MET 158 Ca -0.04 -0.75 0.09 0.00 -1.25 0.00 0.00 55.69 53.73 1isi s MET 158 Cb -0.13 -3.59 -0.04 0.00 2.84 0.00 0.00 34.83 33.90 1isi s MET 158 CO -0.02 -0.45 -0.06 -0.51 -0.65 0.00 0.00 175.02 173.34 1isi s LEU 159 N 1.61 3.10 -0.48 4.11 1.43 -0.26 -2.29 118.68 125.91 1isi s LEU 159 Ca 0.04 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1isi s LEU 159 Cb -0.17 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1isi s LEU 159 CO 0.06 0.08 0.43 0.21 0.23 0.00 0.00 176.35 177.36 1isi s ASN 160 N -3.01 6.16 0.00 2.29 3.84 -1.23 -1.20 114.94 121.79 1isi s ASN 160 Ca 0.27 -1.25 0.25 0.00 0.21 0.00 0.00 52.86 52.34 1isi s ASN 160 Cb -0.08 -2.20 1.44 0.00 -0.55 0.00 0.00 41.25 39.86 1isi s ASN 160 CO 0.17 -0.68 1.85 0.61 -2.79 0.00 0.00 177.10 176.26 1isi n GLY 161 N 5.20 -0.86 0.94 1.21 0.00 0.23 -2.61 105.19 109.29 1isi n GLY 161 Ca -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.07 3.06 -4.66 1.61 7.64 -1.25 -1.59 113.62 117.37 1isi n SER 162 Ca 0.17 -1.90 -0.43 0.00 1.01 0.00 0.00 58.87 57.72 1isi n SER 162 Cb 0.11 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.43 4.22 0.25 1.43 2.56 -1.07 -4.81 118.70 119.86 1isi s GLU 163 Ca 0.31 1.82 -0.06 0.00 0.00 0.00 0.00 54.97 57.03 1isi s GLU 163 Cb 0.19 -3.81 0.47 0.00 2.00 0.00 0.00 34.13 32.98 1isi s GLU 163 CO 0.27 -0.73 1.62 -1.35 -0.56 0.00 0.00 175.26 174.51 1isi h PRO 164 N 8.53 0.08 0.00 4.30 0.11 -1.92 -1.35 132.00 141.76 1isi h PRO 164 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1isi h PRO 164 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1isi h PRO 164 CO 0.96 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 179.05 1isi n THR 165 N -5.38 0.00 0.00 -1.15 -2.24 -1.26 -4.99 114.28 99.25 1isi n THR 165 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1isi n THR 165 Cb 0.51 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.71 2.95 0.23 3.38 0.00 -0.51 -4.91 105.19 107.05 1isi n GLY 166 Ca 0.11 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 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 0.40 -3.15 4.61 0.00 -1.79 -3.43 119.26 115.90 1isi h ALA 167 Ca 0.00 -0.57 -0.70 0.00 0.00 0.00 0.00 54.91 53.64 1isi h ALA 167 Cb 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.45 1isi h ALA 167 CO 0.00 0.69 -0.59 -0.47 0.00 0.00 0.00 179.25 178.88 1isi s TYR 168 N -3.88 3.31 -0.27 0.00 5.04 -1.26 -4.43 117.35 115.86 1isi s TYR 168 Ca -0.10 -1.63 -0.29 0.00 -2.44 0.00 0.00 57.07 52.61 1isi s TYR 168 Cb 0.09 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.93 1isi s TYR 168 CO 0.89 -0.79 1.19 -2.14 -1.34 0.00 0.00 175.55 173.37 1isi s PRO 169 N 1.35 4.08 0.00 4.97 0.02 -1.26 -4.85 135.00 139.31 1isi s PRO 169 Ca -0.00 1.31 0.12 0.00 0.02 0.00 0.00 61.00 62.44 1isi s PRO 169 Cb -0.21 -3.78 0.55 0.00 0.02 0.00 0.00 34.50 31.08 1isi s PRO 169 CO 0.01 -0.90 1.36 0.44 -0.33 0.00 0.00 177.00 177.59 1isi n ILE 170 N 5.80 1.03 -3.88 2.83 -5.35 -1.26 -3.96 119.36 114.58 1isi n ILE 170 Ca 0.13 0.26 -0.30 0.00 -0.27 0.00 0.00 62.75 62.57 1isi n ILE 170 Cb 0.46 -1.05 -0.15 0.00 -1.74 0.00 0.00 39.64 37.16 1isi n ILE 170 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1isi s LYS 171 N -2.88 1.25 -0.07 6.28 2.36 -1.26 -4.70 119.74 120.73 1isi s LYS 171 Ca 0.07 -1.13 -0.30 0.00 -2.55 0.00 0.00 55.97 52.06 1isi s LYS 171 Cb 0.08 -2.49 0.11 0.00 -1.05 0.00 0.00 37.83 34.47 1isi s LYS 171 CO 0.21 -0.78 1.35 0.20 1.55 0.00 0.00 175.35 177.89 1isi s GLY 172 N 1.40 -0.26 0.22 5.54 0.00 -1.25 -5.00 107.32 107.97 1isi s GLY 172 Ca 0.02 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 1isi s GLY 172 CO -0.12 4.73 1.71 0.74 0.00 0.00 0.00 173.10 180.16 1isi h PHE 173 N 2.00 1.07 0.40 1.90 -1.00 -1.96 0.16 116.94 119.50 1isi h PHE 173 Ca -0.24 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.37 1isi h PHE 173 Cb 1.18 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.45 1isi h PHE 173 CO 1.13 0.92 -0.19 0.35 -1.61 0.00 0.00 178.31 178.91 1isi h PHE 174 N 0.93 -0.49 -0.40 -0.55 3.57 -1.92 0.37 116.94 118.45 1isi h PHE 174 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1isi h PHE 174 Cb 0.46 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1isi h PHE 174 CO 0.03 -0.25 0.06 0.00 -2.23 0.00 0.00 178.31 175.92 1isi h ALA 175 N -0.05 0.53 0.00 2.41 0.00 -1.78 0.44 119.26 120.81 1isi h ALA 175 Ca -0.05 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1isi h ALA 175 Cb 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1isi h ALA 175 CO 0.09 0.25 -1.40 -0.44 0.00 0.00 0.00 179.25 177.75 1isi h ASP 176 N 0.51 0.00 0.00 0.00 3.32 -0.68 -3.41 116.42 116.17 1isi h ASP 176 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1isi h ASP 176 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1isi h ASP 176 CO 0.01 0.65 -0.59 -1.22 -1.72 0.00 0.00 179.24 176.37 1isi n TYR 177 N -2.94 0.00 -0.12 4.55 4.02 0.12 -4.77 117.16 118.01 1isi n TYR 177 Ca -0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.55 1isi n TYR 177 Cb 0.87 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.11 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 -1.11 0.54 -0.18 -0.72 1.02 -0.48 -4.23 120.64 115.48 1isi n GLU 178 Ca 0.00 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1isi n GLU 178 Cb 0.00 -1.41 0.09 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.93 0.67 0.00 -3.67 2.04 -1.13 -0.29 117.51 114.20 1isi h ILE 179 Ca -0.54 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1isi h ILE 179 Cb 1.45 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1isi h ILE 179 CO -0.32 0.04 0.00 -2.65 0.00 0.00 0.00 178.15 175.22 1isi n PRO 180 N -5.13 0.11 -0.10 2.37 -0.02 -1.26 -2.59 135.00 128.38 1isi n PRO 180 Ca 0.07 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1isi n PRO 180 Cb 0.28 -1.75 0.12 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.97 2.60 -4.77 2.55 3.02 -0.16 -4.97 115.26 111.56 1isi n ASN 181 Ca 0.02 -1.77 -0.39 0.00 -0.03 0.00 0.00 54.58 52.40 1isi n ASN 181 Cb 0.15 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.06 4.32 -0.57 3.41 1.43 -0.98 -3.39 118.68 121.85 1isi s LEU 182 Ca 0.22 2.34 -0.13 0.00 -1.03 0.00 0.00 54.13 55.53 1isi s LEU 182 Cb 0.13 -3.88 0.14 0.00 0.03 0.00 0.00 46.19 42.61 1isi s LEU 182 CO 0.18 -0.49 0.49 -1.10 0.23 0.00 0.00 176.35 175.67 1isi s GLN 183 N -2.01 2.92 0.32 1.70 -1.52 -1.26 -4.94 119.66 114.86 1isi s GLN 183 Ca 0.52 -1.88 0.08 0.00 -1.95 0.00 0.00 55.36 52.13 1isi s GLN 183 Cb -0.31 -4.19 0.80 0.00 -0.22 0.00 0.00 33.01 29.08 1isi s GLN 183 CO 0.40 -1.28 1.78 -0.22 -0.25 0.00 0.00 175.29 175.73 1isi h LYS 184 N 8.51 0.69 -1.00 2.91 3.64 -1.93 -1.64 116.57 127.74 1isi h LYS 184 Ca -0.20 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.36 1isi h LYS 184 Cb 1.08 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.64 1isi h LYS 184 CO 0.93 0.45 0.62 1.05 -2.27 0.00 0.00 179.45 180.23 1isi h GLU 185 N 0.71 0.60 -0.34 1.90 4.11 -2.01 -1.26 114.58 118.28 1isi h GLU 185 Ca 0.57 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.96 1isi h GLU 185 Cb 0.96 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1isi h GLU 185 CO -0.36 0.40 0.01 0.36 0.07 0.00 0.00 179.01 179.48 1isi n LYS 186 N -4.75 3.37 -4.85 1.06 2.85 -0.63 -4.94 118.16 110.26 1isi n LYS 186 Ca 0.24 -2.93 -0.33 0.00 -1.05 0.00 0.00 58.31 54.24 1isi n LYS 186 Cb 0.69 -1.95 -0.14 0.00 -0.65 0.00 0.00 35.03 32.98 1isi n LYS 186 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1isi s ILE 187 N -2.84 3.02 -0.14 0.58 1.01 -0.48 -1.25 121.20 121.11 1isi s ILE 187 Ca 0.45 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1isi s ILE 187 Cb 0.36 -2.22 -0.25 0.00 0.01 0.00 0.00 42.46 40.36 1isi s ILE 187 CO 0.10 0.56 0.28 0.35 0.00 0.00 0.00 174.94 176.23 1isi n THR 188 N 2.90 1.74 -3.60 2.92 -2.24 -0.28 -4.88 114.28 110.84 1isi n THR 188 Ca -0.18 -0.64 -0.05 0.00 -2.27 0.00 0.00 64.05 60.91 1isi n THR 188 Cb 0.52 -1.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.05 1isi n THR 188 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isi s ARG 189 N -2.55 0.76 -0.11 -0.78 1.70 -1.25 -4.55 118.95 112.18 1isi s ARG 189 Ca -0.24 -0.35 0.03 0.00 -0.47 0.00 0.00 55.73 54.70 1isi s ARG 189 Cb 0.07 0.31 -0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1isi s ARG 189 CO 0.74 -0.34 -0.22 0.42 -1.08 0.00 0.00 175.30 174.82 1isi s ILE 190 N -2.94 2.20 -0.13 4.99 1.01 -0.28 -0.69 121.20 125.37 1isi s ILE 190 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1isi s ILE 190 Cb -0.00 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1isi s ILE 190 CO -0.05 0.55 -0.17 -0.70 0.00 0.00 0.00 174.94 174.58 1isi s GLU 191 N 0.36 2.50 -0.01 2.79 2.12 0.80 -1.80 118.70 125.46 1isi s GLU 191 Ca -0.17 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1isi s GLU 191 Cb -0.18 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1isi s GLU 191 CO 0.08 -0.08 0.10 0.42 -0.54 0.00 0.00 175.26 175.24 1isi s ILE 192 N 1.01 4.87 -0.27 -3.70 -1.09 -0.30 -1.40 121.20 120.33 1isi s ILE 192 Ca -0.05 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 1isi s ILE 192 Cb -0.15 -3.23 0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1isi s ILE 192 CO -0.03 0.36 -0.07 0.26 -1.23 0.00 0.00 174.94 174.23 1isi s TRP 193 N -1.21 3.10 -0.55 3.97 0.51 0.33 0.02 118.94 125.11 1isi s TRP 193 Ca 0.23 -2.28 -0.19 0.00 -2.12 0.00 0.00 56.10 51.75 1isi s TRP 193 Cb -0.12 -1.99 0.09 0.00 -0.81 0.00 0.00 33.47 30.63 1isi s TRP 193 CO 0.14 -0.87 0.64 0.08 -0.51 0.00 0.00 176.95 176.44 1isi s VAL 194 N 1.15 4.90 -0.03 4.03 1.01 0.45 -1.10 120.40 130.81 1isi s VAL 194 Ca -0.05 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1isi s VAL 194 Cb -0.20 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1isi s VAL 194 CO -0.06 -0.95 0.45 -0.04 0.00 0.00 0.00 175.10 174.50 1isi s MET 195 N 2.51 4.11 0.02 2.72 -1.94 -0.34 -0.23 119.30 126.14 1isi s MET 195 Ca 0.12 0.47 0.07 0.00 -1.71 0.00 0.00 55.69 54.63 1isi s MET 195 Cb -0.23 -3.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 1isi s MET 195 CO 0.08 0.50 -0.19 -1.01 -0.01 0.00 0.00 175.02 174.40 1isi s HIS 196 N -0.51 2.54 0.54 -0.03 3.76 -1.26 0.74 115.29 121.07 1isi s HIS 196 Ca 0.25 -0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 1isi s HIS 196 Cb -0.17 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 1isi s HIS 196 CO 0.13 0.19 1.36 -1.21 -0.85 0.00 0.00 174.74 174.37 1isi s GLU 197 N -1.18 3.15 0.04 1.40 0.41 -1.26 -4.85 118.70 116.42 1isi s GLU 197 Ca 0.13 2.25 -0.32 0.00 -0.41 0.00 0.00 54.97 56.62 1isi s GLU 197 Cb -0.10 -2.27 -0.11 0.00 -1.78 0.00 0.00 34.13 29.87 1isi s GLU 197 CO 0.03 -1.19 1.84 -0.89 -0.49 0.00 0.00 175.26 174.56 1isi n ILE 198 N -1.01 0.46 0.00 -1.63 2.08 -1.26 -0.05 119.36 117.95 1isi n ILE 198 Ca 0.10 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1isi n ILE 198 Cb 0.45 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 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 4.23 0.61 3.22 7.39 0.00 -1.26 -4.90 105.19 114.47 1isi n GLY 199 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.36 -2.85 3.78 -0.02 0.00 0.93 -4.93 105.19 100.74 1isi n GLY 200 Ca 0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.09 4.12 -1.12 1.61 0.04 -1.26 -4.69 135.00 129.60 1isi s PRO 201 Ca 0.56 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1isi s PRO 201 Cb -0.13 -2.60 0.28 0.00 0.04 0.00 0.00 34.50 32.10 1isi s PRO 201 CO 0.54 -0.21 1.52 -1.71 0.04 0.00 0.00 177.00 177.18 1isi n ASN 202 N -0.01 6.12 0.06 6.66 4.05 -1.26 -4.05 115.26 126.83 1isi n ASN 202 Ca 0.05 -3.33 -0.13 0.00 0.45 0.00 0.00 54.58 51.62 1isi n ASN 202 Cb 0.48 -1.32 -0.08 0.00 1.23 0.00 0.00 39.78 40.10 1isi n ASN 202 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1isi h VAL 203 N 3.51 1.01 -3.51 3.44 2.07 -1.61 -3.44 116.25 117.72 1isi h VAL 203 Ca 0.23 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 1isi h VAL 203 Cb 0.64 1.16 -0.26 0.00 -1.52 0.00 0.00 31.29 31.32 1isi h VAL 203 CO 1.36 0.06 -0.59 -1.61 0.02 0.00 0.00 177.57 176.81 1isi s GLU 204 N -5.78 0.18 0.45 1.57 2.02 -0.78 -5.00 118.70 111.38 1isi s GLU 204 Ca -0.14 0.02 0.03 0.00 0.02 0.00 0.00 54.97 54.90 1isi s GLU 204 Cb 0.05 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 1isi s GLU 204 CO 0.66 -0.03 0.06 -1.12 0.02 0.00 0.00 175.26 174.84 1isi s SER 205 N -0.24 3.48 0.28 -0.19 0.01 -1.26 -4.50 113.70 111.28 1isi s SER 205 Ca -0.03 -1.63 -0.29 0.00 1.31 0.00 0.00 55.95 55.31 1isi s SER 205 Cb -0.02 0.43 -0.14 0.00 0.21 0.00 0.00 66.02 66.50 1isi s SER 205 CO 0.00 -0.85 1.11 0.00 0.41 0.00 0.00 173.24 173.92 1isi n GLY 207 N 1.33 0.40 3.38 0.00 0.00 -1.26 -5.03 105.19 104.01 1isi n GLY 207 Ca 0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.46 1.45 1.52 1.61 2.02 -0.77 -4.62 118.70 119.45 1isi s GLU 208 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1isi s GLU 208 Cb 0.00 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1isi s GLU 208 CO 0.00 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1isi n GLY 209 N 1.02 2.74 0.35 -1.39 0.00 -1.26 -0.58 105.19 106.06 1isi n GLY 209 Ca -0.18 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.18 1.61 4.64 -1.94 0.14 113.55 117.82 1isi h SER 210 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 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 0.04 0.24 -0.87 0.00 0.00 176.83 176.24 1isi h MET 211 N 0.00 0.38 -0.42 4.77 2.07 -1.17 -0.33 114.93 120.23 1isi h MET 211 Ca 0.10 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.59 1isi h MET 211 Cb 0.60 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.25 1isi h MET 211 CO -0.00 0.38 -0.07 0.87 1.07 0.00 0.00 176.91 179.16 1isi h LYS 212 N 0.38 0.73 -0.30 1.72 1.57 -0.74 -1.49 116.57 118.44 1isi h LYS 212 Ca 0.09 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1isi h LYS 212 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1isi h LYS 212 CO 0.00 0.79 0.10 0.28 -0.57 0.00 0.00 179.45 180.05 1isi h VAL 213 N 0.67 1.19 -0.03 0.50 2.07 -1.12 -1.88 116.25 117.64 1isi h VAL 213 Ca 0.12 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1isi h VAL 213 Cb 0.52 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1isi h VAL 213 CO 0.03 0.20 0.01 0.25 0.02 0.00 0.00 177.57 178.09 1isi h LEU 214 N 0.33 0.04 -0.33 2.57 5.85 -1.00 -1.18 115.31 121.58 1isi h LEU 214 Ca 0.10 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1isi h LEU 214 Cb 0.22 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1isi h LEU 214 CO -0.01 0.18 0.12 -0.08 -0.34 0.00 0.00 178.44 178.31 1isi h GLU 215 N -0.09 0.25 -0.62 1.25 4.81 -1.25 -0.79 114.58 118.14 1isi h GLU 215 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1isi h GLU 215 Cb 0.15 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1isi h GLU 215 CO -0.00 0.17 0.19 -0.22 -0.73 0.00 0.00 179.01 178.42 1isi h LYS 216 N 0.26 0.97 -0.17 1.92 3.64 -1.27 -0.07 116.57 121.85 1isi h LYS 216 Ca 0.15 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1isi h LYS 216 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1isi h LYS 216 CO -0.15 0.87 0.07 -0.09 -2.27 0.00 0.00 179.45 177.88 1isi h ARG 217 N 0.90 0.25 -0.76 1.90 2.43 -0.82 0.23 114.38 118.51 1isi h ARG 217 Ca 0.20 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1isi h ARG 217 Cb 0.30 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1isi h ARG 217 CO -0.01 0.31 0.29 -0.07 -1.51 0.00 0.00 179.97 178.98 1isi h LEU 218 N 0.13 1.05 -0.77 3.80 3.38 -1.02 -1.51 115.31 120.37 1isi h LEU 218 Ca 0.06 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1isi h LEU 218 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1isi h LEU 218 CO -0.01 0.95 -0.47 0.11 0.09 0.00 0.00 178.44 179.11 1isi h LYS 219 N 1.10 0.34 0.00 1.13 1.57 -0.83 -1.78 116.57 118.10 1isi h LYS 219 Ca 0.25 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1isi h LYS 219 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1isi h LYS 219 CO -0.02 0.74 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.98 1isi h ASP 220 N 0.27 0.00 0.82 0.86 3.32 -0.09 -1.32 116.42 120.29 1isi h ASP 220 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1isi h ASP 220 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1isi h ASP 220 CO 0.08 0.19 -0.17 0.23 -1.72 0.00 0.00 179.24 177.85 1isi n MET 221 N -3.63 0.01 -0.09 3.56 2.81 -0.61 -4.93 117.12 114.24 1isi n MET 221 Ca -0.01 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1isi n MET 221 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.49 0.95 3.86 3.03 0.00 -0.50 -5.08 105.19 108.95 1isi n GLY 222 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 3.43 0.16 1.61 0.40 -0.72 -5.01 117.98 115.85 1isi s PHE 223 Ca 0.00 1.21 -0.27 0.00 -0.60 0.00 0.00 56.93 57.27 1isi s PHE 223 Cb 0.00 -2.56 -0.08 0.00 0.51 0.00 0.00 43.02 40.90 1isi s PHE 223 CO 0.00 -0.09 0.83 -0.65 0.70 0.00 0.00 175.22 176.01 1isi s GLN 224 N -3.57 4.64 0.01 0.44 -0.21 -1.26 -4.43 119.66 115.28 1isi s GLN 224 Ca 0.54 1.25 0.03 0.00 0.02 0.00 0.00 55.36 57.20 1isi s GLN 224 Cb -0.10 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 1isi s GLN 224 CO 0.26 0.49 -0.09 -0.47 -2.12 0.00 0.00 175.29 173.36 1isi s TYR 225 N -0.93 0.77 0.01 0.91 5.04 -1.26 -1.12 117.35 120.78 1isi s TYR 225 Ca 0.38 -0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.65 1isi s TYR 225 Cb -0.24 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.61 1isi s TYR 225 CO 0.28 -0.02 0.25 -1.54 -1.34 0.00 0.00 175.55 173.18 1isi s SER 226 N -0.65 -0.09 -0.00 4.32 1.04 -0.74 -4.98 113.70 112.60 1isi s SER 226 Ca -0.00 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1isi s SER 226 Cb -0.05 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1isi s SER 226 CO 0.00 -0.50 -0.03 0.00 0.98 0.00 0.00 173.24 173.70 1isi s ILE 228 N 0.01 1.23 -0.04 0.00 1.01 0.10 -4.93 121.20 118.59 1isi s ILE 228 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 1isi s ILE 228 Cb -0.02 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1isi s ILE 228 CO -0.00 0.38 0.83 0.20 0.00 0.00 0.00 174.94 176.35 1isi s ASN 229 N 0.84 7.17 -1.23 3.58 0.01 -1.26 -0.41 114.94 123.63 1isi s ASN 229 Ca -0.11 1.41 -0.17 0.00 -0.71 0.00 0.00 52.86 53.28 1isi s ASN 229 Cb -0.15 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1isi s ASN 229 CO 0.02 -0.19 0.65 0.47 -1.51 0.00 0.00 177.10 176.54 1isi n ASP 230 N 3.86 -3.62 -4.74 -1.22 8.00 0.68 -4.76 116.55 114.75 1isi n ASP 230 Ca 0.02 -1.07 -0.65 0.00 0.71 0.00 0.00 54.79 53.80 1isi n ASP 230 Cb 0.51 -2.95 -0.09 0.00 -0.02 0.00 0.00 41.12 38.58 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 -4.41 1.86 -0.30 1.24 9.36 -1.26 -4.59 117.16 119.06 1isi n TYR 231 Ca -0.16 0.95 -0.04 0.00 3.32 0.00 0.00 57.90 61.97 1isi n TYR 231 Cb 0.61 -2.31 0.01 0.00 -0.63 0.00 0.00 39.34 37.02 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 5.73 -0.09 -0.96 2.98 9.65 -1.98 -0.59 114.38 129.12 1isi h ARG 232 Ca -0.45 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 58.56 1isi h ARG 232 Cb 1.35 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.87 1isi h ARG 232 CO 0.97 -0.06 0.59 -1.35 2.80 0.00 0.00 179.97 182.92 1isi h PRO 233 N -0.09 0.90 -0.26 0.20 0.11 -2.00 0.11 132.00 130.96 1isi h PRO 233 Ca 0.27 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.14 1isi h PRO 233 Cb 0.56 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1isi h PRO 233 CO -0.83 0.59 -0.55 0.28 -0.21 0.00 0.00 178.00 177.28 1isi h VAL 234 N 0.92 1.29 -0.81 3.15 2.07 -1.66 -2.62 116.25 118.58 1isi h VAL 234 Ca 0.48 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1isi h VAL 234 Cb 0.50 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1isi h VAL 234 CO -0.27 0.56 0.51 0.50 0.02 0.00 0.00 177.57 178.89 1isi h LYS 235 N 0.60 1.09 -0.77 1.57 1.63 -0.01 -1.03 116.57 119.65 1isi h LYS 235 Ca 0.01 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1isi h LYS 235 Cb 1.14 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.49 1isi h LYS 235 CO 0.12 0.75 0.50 -0.07 -3.45 0.00 0.00 179.45 177.30 1isi h LEU 236 N 1.11 0.83 -0.33 5.20 3.38 -0.70 -0.05 115.31 124.75 1isi h LEU 236 Ca 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1isi h LEU 236 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1isi h LEU 236 CO -0.06 0.58 0.16 0.25 0.09 0.00 0.00 178.44 179.46 1isi h LEU 237 N 0.98 0.43 -0.75 1.67 5.85 -0.96 -2.26 115.31 120.27 1isi h LEU 237 Ca 0.30 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1isi h LEU 237 Cb -0.01 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1isi h LEU 237 CO -0.10 0.44 0.46 1.56 -0.34 0.00 0.00 178.44 180.46 1isi h GLN 238 N 0.40 0.85 -0.16 1.25 4.20 -0.79 -2.30 115.11 118.56 1isi h GLN 238 Ca 0.11 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1isi h GLN 238 Cb 0.12 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1isi h GLN 238 CO -0.01 0.56 0.17 0.00 -0.67 0.00 0.00 178.83 178.88 1isi h VAL 240 N 0.00 0.51 -0.41 0.00 2.07 -1.10 0.52 116.25 117.83 1isi h VAL 240 Ca 0.08 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1isi h VAL 240 Cb 0.41 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1isi h VAL 240 CO -0.00 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.07 1isi n ASP 241 N -4.29 3.23 -2.72 0.57 8.00 -0.94 -4.30 116.55 116.10 1isi n ASP 241 Ca 0.22 -1.96 -0.05 0.00 0.71 0.00 0.00 54.79 53.70 1isi n ASP 241 Cb 1.04 -0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.93 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 1.33 0.38 0.08 1.24 8.25 0.17 -4.97 115.22 121.70 1isi n HIS 242 Ca 0.19 -2.36 0.20 0.00 -0.26 0.00 0.00 57.72 55.49 1isi n HIS 242 Cb 0.56 0.13 0.75 0.00 1.12 0.00 0.00 29.99 32.54 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 2.55 0.00 0.57 0.41 4.64 -1.50 -1.80 113.55 118.42 1isi h SER 243 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1isi h SER 243 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1isi h SER 243 CO 0.25 0.00 -1.19 0.35 -0.87 0.00 0.00 176.83 175.37 1isi n THR 244 N -3.97 0.31 -1.78 2.95 -2.24 -1.26 -4.59 114.28 103.69 1isi n THR 244 Ca 0.07 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1isi n THR 244 Cb 0.55 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 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 -3.32 2.52 0.50 4.78 5.04 -0.68 -4.83 115.29 119.29 1isi s HIS 245 Ca -0.00 1.18 0.21 0.00 -1.54 0.00 0.00 55.06 54.91 1isi s HIS 245 Cb 0.12 -4.02 1.27 0.00 0.04 0.00 0.00 32.58 29.99 1isi s HIS 245 CO 0.81 -3.06 2.00 -1.00 -2.34 0.00 0.00 174.74 171.16 1isi h PRO 246 N 2.78 0.13 0.00 2.88 0.13 -1.92 0.77 132.00 136.77 1isi h PRO 246 Ca -0.51 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1isi h PRO 246 Cb 1.25 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1isi h PRO 246 CO 0.63 0.09 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.99 1isi h ASP 247 N 0.13 0.00 -0.17 1.44 3.32 -1.92 -2.92 116.42 116.31 1isi h ASP 247 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1isi h ASP 247 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1isi h ASP 247 CO -0.03 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 1isi s ALA 249 N -1.42 3.72 0.42 0.00 0.00 -1.09 -4.93 121.76 118.46 1isi s ALA 249 Ca 0.26 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 1isi s ALA 249 Cb 0.17 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1isi s ALA 249 CO 0.24 -0.80 0.81 -0.51 0.00 0.00 0.00 175.76 175.50 1isi s LEU 250 N 0.28 3.81 0.00 0.00 1.43 -1.26 -5.09 118.68 117.85 1isi s LEU 250 Ca 0.65 1.22 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 1isi s LEU 250 Cb -0.44 -4.11 0.45 0.00 0.03 0.00 0.00 46.19 42.12 1isi s LEU 250 CO 0.39 -0.42 0.90 1.17 0.23 0.00 0.00 176.35 178.62