#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igs s SER 2 N 0.00 5.26 0.23 0.00 1.04 -1.26 -5.17 113.70 113.80 3igs s SER 2 Ca 0.00 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 3igs s SER 2 Cb 0.00 -1.28 0.21 0.00 0.10 0.00 0.00 66.02 65.04 3igs s SER 2 CO 0.00 0.06 1.88 0.25 0.98 0.00 0.00 173.24 176.41 3igs h LEU 3 N 2.33 1.06 -0.64 2.42 5.85 -2.02 0.46 115.31 124.78 3igs h LEU 3 Ca -0.47 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 3igs h LEU 3 Cb 1.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3igs h LEU 3 CO 0.61 0.81 0.26 -0.07 -0.34 0.00 0.00 178.44 179.71 3igs h LEU 4 N 1.22 0.87 -0.71 2.25 3.38 -2.02 0.16 115.31 120.46 3igs h LEU 4 Ca 0.32 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3igs h LEU 4 Cb -0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3igs h LEU 4 CO -0.06 0.80 -0.11 -0.33 0.09 0.00 0.00 178.44 178.82 3igs h GLU 5 N 0.89 0.87 -0.18 1.13 5.08 -1.83 -0.26 114.58 120.29 3igs h GLU 5 Ca 0.21 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3igs h GLU 5 Cb 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3igs h GLU 5 CO -0.02 0.94 0.09 1.96 -1.00 0.00 0.00 179.01 180.99 3igs h GLN 6 N 0.78 0.25 -0.71 2.33 4.20 -0.67 -2.49 115.11 118.80 3igs h GLN 6 Ca 0.13 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.85 3igs h GLN 6 Cb 0.63 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3igs h GLN 6 CO 0.04 0.27 0.43 -0.07 -0.67 0.00 0.00 178.83 178.83 3igs h LEU 7 N 0.18 0.68 -0.49 1.46 3.38 -0.76 -0.56 115.31 119.20 3igs h LEU 7 Ca 0.06 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3igs h LEU 7 Cb 0.09 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3igs h LEU 7 CO -0.01 0.45 -0.11 0.44 0.09 0.00 0.00 178.44 179.30 3igs h ASP 8 N 0.81 -0.43 -0.07 -0.43 3.32 -0.88 0.18 116.42 118.93 3igs h ASP 8 Ca 0.30 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3igs h ASP 8 Cb 0.10 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3igs h ASP 8 CO -0.14 -0.15 0.05 0.50 -1.72 0.00 0.00 179.24 177.77 3igs h LYS 9 N 0.01 0.10 -0.17 3.56 3.64 -0.99 -2.41 116.57 120.31 3igs h LYS 9 Ca 0.24 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 3igs h LYS 9 Cb 0.36 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3igs h LYS 9 CO -0.50 0.09 -0.43 -0.91 -2.27 0.00 0.00 179.45 175.43 3igs h ASN 10 N 0.08 0.42 -0.32 4.20 2.35 -0.59 -1.74 115.58 119.99 3igs h ASN 10 Ca 0.03 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3igs h ASN 10 Cb 0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3igs h ASN 10 CO -0.01 0.81 0.19 0.40 -1.65 0.00 0.00 177.43 177.18 3igs h ILE 11 N 0.33 1.11 -0.96 2.81 2.04 -0.59 0.43 117.51 122.67 3igs h ILE 11 Ca 0.03 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3igs h ILE 11 Cb 0.90 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 3igs h ILE 11 CO 0.08 0.10 0.63 0.00 0.00 0.00 0.00 178.15 178.96 3igs h ALA 12 N 1.08 1.26 0.07 1.87 0.00 -1.15 -0.28 119.26 122.12 3igs h ALA 12 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3igs h ALA 12 Cb 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.46 3igs h ALA 12 CO -0.02 0.54 -0.94 0.00 0.00 0.00 0.00 179.25 178.83 3igs h ALA 13 N 1.38 0.02 0.00 0.00 0.00 -1.11 -3.40 119.26 116.16 3igs h ALA 13 Ca 0.37 -0.68 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 3igs h ALA 13 Cb -0.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3igs h ALA 13 CO -0.11 0.52 -2.07 0.43 0.00 0.00 0.00 179.25 178.02 3igs n SER 14 N -4.00 1.08 0.00 0.00 7.64 0.12 -5.04 113.62 113.42 3igs n SER 14 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3igs n SER 14 Cb 0.84 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 3igs n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3igs n GLY 15 N 1.99 4.08 0.00 0.23 0.00 -0.12 -4.85 105.19 106.52 3igs n GLY 15 Ca -0.24 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3igs n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3igs n GLY 16 N 0.00 1.90 3.72 -0.02 0.00 -1.23 -4.85 105.19 104.71 3igs n GLY 16 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3igs n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3igs s LEU 17 N 0.00 4.37 -0.13 0.99 2.96 -1.26 -1.37 118.68 124.24 3igs s LEU 17 Ca 0.00 1.45 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 3igs s LEU 17 Cb 0.00 -3.33 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 3igs s LEU 17 CO 0.00 -0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.07 3igs s ILE 18 N 0.72 2.58 -0.25 6.68 1.01 -0.04 -0.76 121.20 131.14 3igs s ILE 18 Ca 0.44 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3igs s ILE 18 Cb -0.20 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3igs s ILE 18 CO 0.23 0.53 0.13 -0.69 0.00 0.00 0.00 174.94 175.15 3igs s VAL 19 N 0.52 4.93 -0.36 2.92 1.01 -1.04 -1.06 120.40 127.31 3igs s VAL 19 Ca -0.11 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3igs s VAL 19 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3igs s VAL 19 CO 0.04 0.32 0.81 -0.55 0.00 0.00 0.00 175.10 175.71 3igs s SER 20 N 1.46 6.57 -1.11 3.32 0.15 -0.15 -1.18 113.70 122.77 3igs s SER 20 Ca 0.06 0.39 -0.05 0.00 0.70 0.00 0.00 55.95 57.05 3igs s SER 20 Cb -0.15 -2.41 0.29 0.00 -1.71 0.00 0.00 66.02 62.04 3igs s SER 20 CO 0.07 -0.75 1.50 0.00 1.20 0.00 0.00 173.24 175.26 3igs s GLN 22 N -2.30 1.48 1.06 0.00 -0.21 -1.26 -4.70 119.66 113.72 3igs s GLN 22 Ca 0.32 -2.01 -0.13 0.00 0.02 0.00 0.00 55.36 53.57 3igs s GLN 22 Cb 0.04 -2.89 0.22 0.00 1.00 0.00 0.00 33.01 31.38 3igs s GLN 22 CO 0.08 -1.04 1.07 -2.14 -2.12 0.00 0.00 175.29 171.14 3igs s PRO 23 N 0.54 -0.06 0.20 2.91 0.02 -1.26 -4.66 135.00 132.69 3igs s PRO 23 Ca 0.14 0.61 -0.31 0.00 0.02 0.00 0.00 61.00 61.47 3igs s PRO 23 Cb -0.22 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 3igs s PRO 23 CO -0.07 -3.09 1.48 0.08 -0.33 0.00 0.00 177.00 175.07 3igs s VAL 24 N -2.80 2.71 0.22 3.83 1.01 -1.26 -4.93 120.40 119.18 3igs s VAL 24 Ca 0.66 0.56 -0.32 0.00 0.00 0.00 0.00 61.98 62.88 3igs s VAL 24 Cb -0.21 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 3igs s VAL 24 CO 0.60 0.07 1.50 -2.65 0.00 0.00 0.00 175.10 174.61 3igs n PRO 25 N 3.09 2.17 0.00 2.72 -0.02 -1.26 -1.25 135.00 140.44 3igs n PRO 25 Ca 0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3igs n PRO 25 Cb 0.40 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3igs n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3igs n GLY 26 N 2.66 2.17 3.75 -1.23 0.00 -1.26 -5.03 105.19 106.25 3igs n GLY 26 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3igs n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3igs s SER 27 N -2.69 5.03 0.62 1.61 0.15 -0.38 -4.87 113.70 113.17 3igs s SER 27 Ca 0.00 2.47 0.31 0.00 0.70 0.00 0.00 55.95 59.43 3igs s SER 27 Cb 0.00 -2.61 1.73 0.00 -1.71 0.00 0.00 66.02 63.44 3igs s SER 27 CO 0.00 -1.71 2.07 -0.65 1.20 0.00 0.00 173.24 174.15 3igs h PRO 28 N 0.82 0.00 -0.00 5.44 0.11 -1.96 -0.73 132.00 135.68 3igs h PRO 28 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3igs h PRO 28 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3igs h PRO 28 CO 0.55 0.00 -0.27 1.28 -0.21 0.00 0.00 178.00 179.34 3igs n LEU 29 N -3.48 0.76 -4.15 2.35 4.77 -1.26 -4.58 117.00 111.41 3igs n LEU 29 Ca 0.01 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 3igs n LEU 29 Cb 0.35 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3igs n LEU 29 CO 0.23 0.15 1.95 -0.67 -1.33 0.00 0.00 177.39 177.72 3igs n ASP 30 N -0.93 4.85 -3.97 -1.43 2.03 -0.28 -4.49 116.55 112.34 3igs n ASP 30 Ca 0.11 -2.98 -0.16 0.00 0.52 0.00 0.00 54.79 52.27 3igs n ASP 30 Cb 0.33 -1.59 -0.14 0.00 -0.72 0.00 0.00 41.12 38.99 3igs n ASP 30 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3igs s LYS 31 N 2.04 0.48 0.35 -0.67 -0.14 -1.26 -4.87 119.74 115.68 3igs s LYS 31 Ca 0.45 -0.21 0.07 0.00 -1.36 0.00 0.00 55.97 54.92 3igs s LYS 31 Cb 0.06 -0.47 0.77 0.00 -1.68 0.00 0.00 37.83 36.51 3igs s LYS 31 CO -0.00 0.13 1.90 -1.35 -0.76 0.00 0.00 175.35 175.27 3igs h PRO 32 N 6.00 0.72 -0.23 -1.68 0.11 -1.90 -0.17 132.00 134.85 3igs h PRO 32 Ca -0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3igs h PRO 32 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3igs h PRO 32 CO 0.50 0.48 -0.15 0.93 -0.21 0.00 0.00 178.00 179.55 3igs h GLU 33 N 0.74 0.38 0.08 1.05 3.07 -1.95 -0.77 114.58 117.18 3igs h GLU 33 Ca 0.40 -0.11 -0.29 0.00 -0.50 0.00 0.00 59.36 58.87 3igs h GLU 33 Cb 0.54 -0.04 0.03 0.00 -0.84 0.00 0.00 28.75 28.43 3igs h GLU 33 CO -0.17 0.53 -1.18 0.82 -1.40 0.00 0.00 179.01 177.61 3igs h ILE 34 N 0.35 1.28 -0.68 3.13 2.04 -1.39 -2.03 117.51 120.22 3igs h ILE 34 Ca 0.07 -2.40 0.02 0.00 1.00 0.00 0.00 64.86 63.55 3igs h ILE 34 Cb 0.48 2.59 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 3igs h ILE 34 CO 0.03 0.73 0.43 0.58 0.00 0.00 0.00 178.15 179.92 3igs h VAL 35 N 0.32 1.11 -0.61 1.67 2.07 -0.88 -2.14 116.25 117.78 3igs h VAL 35 Ca -0.17 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3igs h VAL 35 Cb 1.85 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3igs h VAL 35 CO 0.23 0.16 0.11 0.00 0.02 0.00 0.00 177.57 178.09 3igs h ALA 36 N 1.28 1.05 0.00 1.67 0.00 -1.15 -0.79 119.26 121.32 3igs h ALA 36 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3igs h ALA 36 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3igs h ALA 36 CO -0.09 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3igs n ALA 37 N -2.46 1.81 0.00 0.00 0.00 -0.76 -1.25 120.51 117.84 3igs n ALA 37 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3igs n ALA 37 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3igs n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3igs n ALA 39 N 0.84 0.00 -0.14 0.00 0.00 -0.30 -0.95 120.51 119.95 3igs n ALA 39 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3igs n ALA 39 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 3igs n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3igs h LEU 40 N 0.00 0.56 -0.76 0.00 5.85 -1.44 -0.75 115.31 118.77 3igs h LEU 40 Ca 0.00 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3igs h LEU 40 Cb 0.00 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3igs h LEU 40 CO 0.00 0.56 0.47 0.00 -0.34 0.00 0.00 178.44 179.13 3igs h ALA 41 N 1.02 1.02 -0.31 1.25 0.00 -1.30 0.74 119.26 121.68 3igs h ALA 41 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3igs h ALA 41 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3igs h ALA 41 CO -0.01 0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.63 3igs h ALA 42 N 1.35 0.40 -0.37 0.00 0.00 -1.73 -1.19 119.26 117.71 3igs h ALA 42 Ca 0.32 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3igs h ALA 42 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3igs h ALA 42 CO -0.15 -0.10 0.10 1.49 0.00 0.00 0.00 179.25 180.60 3igs h GLU 43 N 0.39 0.23 -0.03 0.00 4.81 -0.65 -1.12 114.58 118.22 3igs h GLU 43 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3igs h GLU 43 Cb 0.03 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3igs h GLU 43 CO -0.02 0.15 0.00 1.96 -0.73 0.00 0.00 179.01 180.38 3igs h GLN 44 N 0.24 0.04 -0.15 1.92 4.20 -0.48 -1.69 115.11 119.20 3igs h GLN 44 Ca 0.17 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3igs h GLN 44 Cb 0.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3igs h GLN 44 CO -0.20 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.00 3igs n ALA 45 N -2.53 2.53 -0.07 3.87 0.00 -0.48 -4.92 120.51 118.91 3igs n ALA 45 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3igs n ALA 45 Cb 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3igs n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igs n GLY 46 N 1.06 0.83 3.76 0.00 0.00 -0.63 -5.05 105.19 105.15 3igs n GLY 46 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3igs n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igs s ALA 47 N -2.04 3.08 -0.37 4.61 0.00 -0.48 -4.75 121.76 121.81 3igs s ALA 47 Ca 0.00 1.44 0.23 0.00 0.00 0.00 0.00 51.96 53.63 3igs s ALA 47 Cb 0.00 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.60 3igs s ALA 47 CO 0.00 -1.30 1.09 1.33 0.00 0.00 0.00 175.76 176.88 3igs n VAL 48 N -0.53 0.48 -3.83 0.00 0.24 0.06 -4.63 118.33 110.12 3igs n VAL 48 Ca 0.07 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 3igs n VAL 48 Cb 0.43 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 3igs n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3igs s ALA 49 N -3.30 -1.34 0.08 2.33 0.00 -1.25 -4.20 121.76 114.08 3igs s ALA 49 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3igs s ALA 49 Cb 0.11 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 3igs s ALA 49 CO 0.78 -1.04 -0.13 0.14 0.00 0.00 0.00 175.76 175.51 3igs s VAL 50 N -3.72 1.08 -0.17 0.00 -7.23 -0.95 -2.49 120.40 106.92 3igs s VAL 50 Ca 0.11 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 58.83 3igs s VAL 50 Cb -0.05 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 3igs s VAL 50 CO 0.06 -0.31 0.02 -0.60 -0.31 0.00 0.00 175.10 173.95 3igs s ARG 51 N -2.01 3.83 -0.03 4.82 3.52 -0.33 -0.42 118.95 128.34 3igs s ARG 51 Ca -0.00 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 3igs s ARG 51 Cb -0.08 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3igs s ARG 51 CO 0.02 0.24 -0.13 0.42 -0.81 0.00 0.00 175.30 175.04 3igs s ILE 52 N 0.41 1.12 -0.11 4.11 -1.09 -0.17 -1.00 121.20 124.46 3igs s ILE 52 Ca -0.00 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3igs s ILE 52 Cb -0.13 -0.97 -0.02 0.00 -1.58 0.00 0.00 42.46 39.76 3igs s ILE 52 CO 0.02 0.33 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.24 3igs s GLU 53 N 0.03 3.19 0.00 2.79 -6.30 -1.26 -1.80 118.70 115.35 3igs s GLU 53 Ca -0.02 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.81 3igs s GLU 53 Cb -0.09 -2.62 0.00 0.00 0.00 0.00 0.00 34.13 31.41 3igs s GLU 53 CO 0.01 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.05 3igs n GLY 54 N 3.14 0.86 0.26 -1.50 0.00 -0.27 -4.52 105.19 103.16 3igs n GLY 54 Ca -0.18 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 3igs n GLY 54 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3igs h ILE 55 N 0.00 1.28 -0.54 -0.61 1.08 -1.96 -0.07 117.51 116.69 3igs h ILE 55 Ca 0.00 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.03 3igs h ILE 55 Cb 0.00 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 3igs h ILE 55 CO 0.00 0.49 0.34 0.44 -0.69 0.00 0.00 178.15 178.73 3igs h ASP 56 N 0.71 0.58 -0.69 1.72 3.32 -2.00 0.22 116.42 120.28 3igs h ASP 56 Ca 0.08 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3igs h ASP 56 Cb 0.87 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 3igs h ASP 56 CO 0.08 0.41 0.18 0.78 -1.72 0.00 0.00 179.24 178.97 3igs h ASN 57 N 0.69 1.05 -0.34 6.45 2.35 -1.76 -3.11 115.58 120.92 3igs h ASN 57 Ca 0.20 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3igs h ASN 57 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 3igs h ASN 57 CO -0.06 1.01 0.07 0.25 -1.65 0.00 0.00 177.43 177.05 3igs h LEU 58 N 1.04 0.52 -1.44 1.61 5.85 -0.55 -1.08 115.31 121.26 3igs h LEU 58 Ca 0.22 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3igs h LEU 58 Cb 0.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3igs h LEU 58 CO 0.00 0.63 0.00 0.54 -0.34 0.00 0.00 178.44 179.27 3igs n ARG 59 N -4.62 0.06 0.00 1.25 1.74 0.03 -0.73 116.66 114.39 3igs n ARG 59 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3igs n ARG 59 Cb 0.20 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3igs n ARG 59 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3igs n THR 61 N 0.69 0.00 -0.35 0.55 -1.04 -0.41 -3.69 114.28 110.04 3igs n THR 61 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3igs n THR 61 Cb 0.02 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.85 3igs n THR 61 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3igs h ARG 62 N 0.00 0.71 0.00 -2.82 2.43 -1.18 -0.82 114.38 112.70 3igs h ARG 62 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3igs h ARG 62 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3igs h ARG 62 CO 0.00 0.47 -0.17 0.77 -1.51 0.00 0.00 179.97 179.52 3igs h SER 63 N 0.73 0.00 0.00 -3.80 0.02 -1.83 -3.30 113.55 105.37 3igs h SER 63 Ca 0.58 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.25 3igs h SER 63 Cb 0.93 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 3igs h SER 63 CO -0.40 0.17 -2.15 0.18 -1.14 0.00 0.00 176.83 173.49 3igs n LEU 64 N -4.08 0.00 -4.84 5.07 4.77 -0.37 -5.02 117.00 112.53 3igs n LEU 64 Ca -0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3igs n LEU 64 Cb 0.25 0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 3igs n LEU 64 CO 0.34 0.39 -0.19 0.68 -1.33 0.00 0.00 177.39 177.28 3igs s VAL 65 N -2.50 4.80 -0.07 4.08 -7.23 -0.85 -4.92 120.40 113.70 3igs s VAL 65 Ca -0.08 -0.85 0.10 0.00 -1.81 0.00 0.00 61.98 59.34 3igs s VAL 65 Cb 0.06 -3.42 -0.14 0.00 0.56 0.00 0.00 36.38 33.44 3igs s VAL 65 CO 0.72 -0.03 0.24 -1.54 -0.31 0.00 0.00 175.10 174.17 3igs n SER 66 N -0.17 2.48 -4.77 4.85 3.41 -1.26 -4.89 113.62 113.28 3igs n SER 66 Ca -0.08 -0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.12 3igs n SER 66 Cb 0.53 1.38 0.08 0.00 -0.26 0.00 0.00 64.21 65.95 3igs n SER 66 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3igs s VAL 67 N -2.57 3.26 0.38 -3.33 -7.23 -1.26 -4.96 120.40 104.69 3igs s VAL 67 Ca -0.03 0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 60.33 3igs s VAL 67 Cb 0.06 -2.95 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 3igs s VAL 67 CO 0.40 -0.48 1.42 -2.84 -0.31 0.00 0.00 175.10 173.30 3igs s PRO 68 N -4.62 4.11 -0.22 4.82 0.02 -1.26 -4.83 135.00 133.02 3igs s PRO 68 Ca 0.63 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 64.01 3igs s PRO 68 Cb -0.19 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 3igs s PRO 68 CO 0.51 -0.48 0.11 0.42 -0.33 0.00 0.00 177.00 177.22 3igs s ILE 69 N -1.15 4.94 -0.37 2.83 1.01 -1.26 -2.23 121.20 124.97 3igs s ILE 69 Ca 0.53 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 3igs s ILE 69 Cb -0.44 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3igs s ILE 69 CO 0.59 0.39 0.63 -0.63 0.00 0.00 0.00 174.94 175.91 3igs s ILE 70 N 0.92 4.89 -0.01 2.92 1.01 0.44 -0.99 121.20 130.37 3igs s ILE 70 Ca 0.05 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 3igs s ILE 70 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3igs s ILE 70 CO 0.03 -0.35 0.12 -0.83 0.00 0.00 0.00 174.94 173.91 3igs s GLY 71 N 1.82 2.08 0.06 6.18 0.00 0.39 -1.00 107.32 116.85 3igs s GLY 71 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 3igs s GLY 71 CO 0.15 -0.69 0.08 -0.26 0.00 0.00 0.00 173.10 172.39 3igs s ILE 72 N -1.22 0.17 -0.13 0.90 -4.36 -0.74 -2.31 121.20 113.51 3igs s ILE 72 Ca 0.24 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 3igs s ILE 72 Cb -0.12 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.26 3igs s ILE 72 CO 0.15 -0.79 -0.16 -0.63 0.24 0.00 0.00 174.94 173.75 3igs s ILE 73 N -3.70 1.61 -0.09 8.37 1.01 -1.26 -1.11 121.20 126.04 3igs s ILE 73 Ca 0.04 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3igs s ILE 73 Cb 0.05 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3igs s ILE 73 CO -0.10 0.46 0.41 -0.54 0.00 0.00 0.00 174.94 175.17 3igs s LYS 74 N 1.12 4.16 0.06 2.79 1.02 -1.26 0.11 119.74 127.74 3igs s LYS 74 Ca -0.03 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.34 3igs s LYS 74 Cb -0.14 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 3igs s LYS 74 CO -0.05 0.38 -0.10 1.03 -0.92 0.00 0.00 175.35 175.69 3igs s ARG 75 N -0.04 0.66 -0.33 1.68 0.52 -0.22 -4.99 118.95 116.23 3igs s ARG 75 Ca 0.23 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 3igs s ARG 75 Cb -0.15 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.84 3igs s ARG 75 CO 0.10 0.09 0.17 -0.51 0.02 0.00 0.00 175.30 175.17 3igs s ASP 76 N -1.77 5.60 0.45 0.23 1.01 -1.26 -4.26 116.67 116.67 3igs s ASP 76 Ca -0.05 -0.70 -0.08 0.00 0.71 0.00 0.00 52.55 52.43 3igs s ASP 76 Cb -0.09 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 3igs s ASP 76 CO 0.01 -0.26 0.79 -0.76 0.21 0.00 0.00 175.17 175.16 3igs s LEU 77 N 1.59 3.71 0.09 1.23 1.43 -1.26 -5.01 118.68 120.46 3igs s LEU 77 Ca 0.04 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.98 3igs s LEU 77 Cb -0.18 -3.98 -0.11 0.00 0.03 0.00 0.00 46.19 41.95 3igs s LEU 77 CO 0.06 -0.50 1.67 0.44 0.23 0.00 0.00 176.35 178.25 3igs h ASP 78 N 0.74 0.16 0.00 2.29 3.32 -1.98 -3.40 116.42 117.55 3igs h ASP 78 Ca -0.47 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.27 3igs h ASP 78 Cb 1.19 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3igs h ASP 78 CO 0.63 0.21 -1.68 1.21 -1.72 0.00 0.00 179.24 177.89 3igs n GLU 79 N -4.94 0.27 -1.91 3.56 2.13 -1.26 -5.03 120.64 113.46 3igs n GLU 79 Ca -0.05 0.12 -0.40 0.00 0.66 0.00 0.00 57.16 57.49 3igs n GLU 79 Cb 0.08 -0.96 0.01 0.00 0.27 0.00 0.00 31.44 30.84 3igs n GLU 79 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3igs s SER 80 N -6.16 6.06 0.00 4.31 0.15 -1.26 -4.91 113.70 111.89 3igs s SER 80 Ca -0.18 2.80 0.28 0.00 0.70 0.00 0.00 55.95 59.55 3igs s SER 80 Cb 0.07 -2.65 1.06 0.00 -1.71 0.00 0.00 66.02 62.79 3igs s SER 80 CO 0.23 -1.04 1.77 -0.81 1.20 0.00 0.00 173.24 174.59 3igs n PRO 81 N -0.07 0.40 -2.07 5.44 -0.04 -1.26 -4.26 135.00 133.13 3igs n PRO 81 Ca 0.05 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 3igs n PRO 81 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3igs n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3igs s VAL 82 N -2.70 2.80 0.00 0.52 1.01 -1.26 -4.92 120.40 115.84 3igs s VAL 82 Ca 0.22 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3igs s VAL 82 Cb 0.19 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3igs s VAL 82 CO 0.54 0.11 0.00 0.54 0.00 0.00 0.00 175.10 176.29 3igs n ARG 83 N 2.21 3.28 -2.90 2.72 1.74 -1.26 -4.45 116.66 118.00 3igs n ARG 83 Ca 0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 3igs n ARG 83 Cb 0.41 -0.98 -0.05 0.00 -1.02 0.00 0.00 32.46 30.82 3igs n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3igs s ILE 84 N -1.97 4.56 -1.03 0.55 1.01 -1.26 -1.06 121.20 122.00 3igs s ILE 84 Ca 0.00 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.99 3igs s ILE 84 Cb 0.00 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3igs s ILE 84 CO 0.00 -0.82 0.73 0.41 0.00 0.00 0.00 174.94 175.26 3igs n THR 85 N 6.23 -5.57 0.20 2.92 -1.04 0.12 -1.81 114.28 115.33 3igs n THR 85 Ca 0.03 -0.63 0.11 0.00 -2.04 0.00 0.00 64.05 61.53 3igs n THR 85 Cb 0.48 -4.17 0.14 0.00 -1.82 0.00 0.00 70.33 64.96 3igs n THR 85 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3igs h PRO 86 N -1.32 0.00 -6.55 -2.82 0.11 -1.77 -3.43 132.00 116.22 3igs h PRO 86 Ca -0.57 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.87 3igs h PRO 86 Cb 1.32 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.28 3igs h PRO 86 CO 0.44 0.06 -0.74 -0.06 -0.21 0.00 0.00 178.00 177.49 3igs s PHE 87 N -3.19 2.74 0.26 0.65 0.08 -1.26 -4.15 117.98 113.11 3igs s PHE 87 Ca 0.06 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 3igs s PHE 87 Cb 0.06 -1.42 0.36 0.00 -0.57 0.00 0.00 43.02 41.45 3igs s PHE 87 CO 0.69 0.43 1.89 -0.07 -0.10 0.00 0.00 175.22 178.06 3igs h LEU 88 N 3.55 1.06 -2.00 -0.37 3.38 -1.97 -1.40 115.31 117.55 3igs h LEU 88 Ca -0.49 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3igs h LEU 88 Cb 1.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3igs h LEU 88 CO 0.52 0.70 -0.10 0.44 0.09 0.00 0.00 178.44 180.10 3igs h ASP 89 N 1.21 0.00 -0.13 -0.43 3.32 -1.99 -1.24 116.42 117.16 3igs h ASP 89 Ca 0.41 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.34 3igs h ASP 89 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3igs h ASP 89 CO -0.15 0.10 -0.40 0.44 -1.72 0.00 0.00 179.24 177.51 3igs h ASP 90 N 0.00 0.58 -0.41 6.45 3.32 -1.66 -1.15 116.42 123.54 3igs h ASP 90 Ca -0.00 -0.60 0.08 0.00 0.02 0.00 0.00 57.03 56.53 3igs h ASP 90 Cb 0.22 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 3igs h ASP 90 CO 0.01 1.07 0.01 0.58 -1.72 0.00 0.00 179.24 179.19 3igs h VAL 91 N 0.11 0.69 -0.68 -1.35 2.07 -0.99 -1.24 116.25 114.87 3igs h VAL 91 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3igs h VAL 91 Cb 1.02 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3igs h VAL 91 CO 0.09 0.02 0.44 0.44 0.02 0.00 0.00 177.57 178.58 3igs h ASP 92 N 0.12 0.79 -0.54 0.57 3.32 -1.14 -1.03 116.42 118.51 3igs h ASP 92 Ca 0.20 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3igs h ASP 92 Cb 0.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3igs h ASP 92 CO -0.33 0.59 -0.09 0.00 -1.72 0.00 0.00 179.24 177.69 3igs h ALA 93 N 1.24 0.74 -0.45 3.45 0.00 -0.94 -1.92 119.26 121.37 3igs h ALA 93 Ca 0.25 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3igs h ALA 93 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3igs h ALA 93 CO -0.05 0.64 -0.13 -0.07 0.00 0.00 0.00 179.25 179.64 3igs h LEU 94 N 0.89 0.83 -0.53 0.00 3.38 -0.96 -2.00 115.31 116.92 3igs h LEU 94 Ca 0.14 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3igs h LEU 94 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3igs h LEU 94 CO 0.05 0.97 0.05 0.00 0.09 0.00 0.00 178.44 179.59 3igs h ALA 95 N 1.11 0.71 0.00 1.53 0.00 -1.00 -2.45 119.26 119.15 3igs h ALA 95 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3igs h ALA 95 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3igs h ALA 95 CO 0.04 0.48 -0.00 0.37 0.00 0.00 0.00 179.25 180.14 3igs h GLN 96 N 0.78 0.00 -0.02 0.00 5.75 -1.18 -3.12 115.11 117.32 3igs h GLN 96 Ca 0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3igs h GLN 96 Cb 0.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.01 3igs h GLN 96 CO 0.02 0.00 -0.04 0.00 -2.65 0.00 0.00 178.83 176.16 3igs n ALA 97 N -2.10 2.62 0.00 3.38 0.00 -0.77 -4.96 120.51 118.68 3igs n ALA 97 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3igs n ALA 97 Cb 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3igs n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igs n GLY 98 N 1.24 1.24 3.77 0.00 0.00 -1.07 -4.52 105.19 105.85 3igs n GLY 98 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3igs n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igs s ALA 99 N -2.00 3.58 -0.08 4.61 0.00 -0.94 -4.77 121.76 122.16 3igs s ALA 99 Ca 0.00 1.43 0.14 0.00 0.00 0.00 0.00 51.96 53.54 3igs s ALA 99 Cb 0.00 -3.56 -0.20 0.00 0.00 0.00 0.00 23.12 19.36 3igs s ALA 99 CO 0.00 -0.86 0.71 0.00 0.00 0.00 0.00 175.76 175.61 3igs n ALA 100 N 1.09 1.66 -3.04 0.00 0.00 -0.16 -4.81 120.51 115.25 3igs n ALA 100 Ca 0.02 -0.69 -0.20 0.00 0.00 0.00 0.00 53.44 52.58 3igs n ALA 100 Cb 0.40 -0.88 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 3igs n ALA 100 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3igs s ILE 101 N -2.72 0.70 -0.14 0.00 1.01 -0.89 -2.41 121.20 116.75 3igs s ILE 101 Ca -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3igs s ILE 101 Cb 0.08 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 3igs s ILE 101 CO 0.82 0.22 -0.18 -0.63 0.00 0.00 0.00 174.94 175.18 3igs s ILE 102 N 0.20 2.51 -0.09 2.92 1.01 -0.58 -0.47 121.20 126.70 3igs s ILE 102 Ca -0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3igs s ILE 102 Cb -0.08 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3igs s ILE 102 CO 0.00 0.53 0.15 0.00 0.00 0.00 0.00 174.94 175.62 3igs s ALA 103 N 0.66 3.89 0.05 9.38 0.00 -0.98 -4.52 121.76 130.24 3igs s ALA 103 Ca -0.09 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3igs s ALA 103 Cb -0.16 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 3igs s ALA 103 CO 0.02 0.65 -0.10 0.14 0.00 0.00 0.00 175.76 176.47 3igs s VAL 104 N -1.10 0.78 0.16 0.00 -7.23 -1.26 -4.50 120.40 107.24 3igs s VAL 104 Ca 0.18 -1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 3igs s VAL 104 Cb -0.12 -0.79 -0.11 0.00 0.56 0.00 0.00 36.38 35.92 3igs s VAL 104 CO 0.08 -0.26 1.79 -0.62 -0.31 0.00 0.00 175.10 175.78 3igs s ASP 105 N -1.49 6.41 -0.13 4.85 -1.08 -0.75 -0.26 116.67 124.23 3igs s ASP 105 Ca -0.05 2.80 0.16 0.00 -0.52 0.00 0.00 52.55 54.94 3igs s ASP 105 Cb -0.09 -2.58 0.65 0.00 -1.46 0.00 0.00 42.92 39.44 3igs s ASP 105 CO 0.01 -0.99 1.56 0.61 0.52 0.00 0.00 175.17 176.88 3igs n GLY 106 N 4.13 3.04 3.87 2.66 0.00 -0.00 -4.80 105.19 114.09 3igs n GLY 106 Ca 0.17 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 3igs n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3igs s THR 107 N -2.06 4.75 -1.22 2.61 -4.23 -1.26 -4.83 115.64 109.40 3igs s THR 107 Ca 0.47 0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 61.56 3igs s THR 107 Cb 0.32 -3.79 0.18 0.00 1.34 0.00 0.00 72.50 70.55 3igs s THR 107 CO 0.19 -0.78 1.49 0.00 -0.54 0.00 0.00 174.62 174.99 3igs n ALA 108 N -1.91 4.17 -2.12 3.99 0.00 -1.26 -4.92 120.51 118.46 3igs n ALA 108 Ca 0.04 -4.30 -0.08 0.00 0.00 0.00 0.00 53.44 49.10 3igs n ALA 108 Cb 0.54 -2.99 -0.10 0.00 0.00 0.00 0.00 19.45 16.90 3igs n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3igs s ARG 109 N 1.10 0.73 0.20 0.00 0.52 -1.26 -5.12 118.95 115.12 3igs s ARG 109 Ca 0.41 -1.30 -0.32 0.00 -0.52 0.00 0.00 55.73 54.00 3igs s ARG 109 Cb -0.01 0.15 -0.12 0.00 0.52 0.00 0.00 34.95 35.49 3igs s ARG 109 CO -0.00 -0.14 1.68 0.94 0.02 0.00 0.00 175.30 177.81 3igs n GLN 110 N 0.03 2.63 -3.46 3.54 0.00 -1.26 -4.95 117.38 113.91 3igs n GLN 110 Ca -0.12 0.95 -0.11 0.00 -0.00 0.00 0.00 57.00 57.72 3igs n GLN 110 Cb 0.62 -2.77 -0.03 0.00 0.00 0.00 0.00 30.24 28.06 3igs n GLN 110 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3igs s ARG 111 N 1.02 1.08 0.30 3.69 1.70 -1.26 -4.34 118.95 121.15 3igs s ARG 111 Ca 0.75 -0.31 0.16 0.00 -0.47 0.00 0.00 55.73 55.87 3igs s ARG 111 Cb -0.55 0.50 0.11 0.00 -0.57 0.00 0.00 34.95 34.44 3igs s ARG 111 CO 0.34 -0.46 1.45 -1.00 -1.08 0.00 0.00 175.30 174.56 3igs h PRO 112 N 2.13 0.00 -3.72 3.89 0.13 -1.92 -3.44 132.00 129.07 3igs h PRO 112 Ca -0.29 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.50 3igs h PRO 112 Cb 1.26 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.06 3igs h PRO 112 CO 0.36 0.40 -0.75 0.08 -0.23 0.00 0.00 178.00 177.86 3igs s VAL 113 N -3.01 0.17 0.47 1.56 1.01 -1.26 -5.08 120.40 114.26 3igs s VAL 113 Ca 0.04 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 3igs s VAL 113 Cb 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 3igs s VAL 113 CO 0.73 0.14 1.28 0.00 0.00 0.00 0.00 175.10 177.25 3igs n ALA 114 N 4.09 1.32 -0.22 5.51 0.00 -1.26 -4.83 120.51 125.12 3igs n ALA 114 Ca -0.27 0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3igs n ALA 114 Cb 0.51 -2.28 0.13 0.00 0.00 0.00 0.00 19.45 17.80 3igs n ALA 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3igs h VAL 115 N 1.83 0.67 -0.90 0.00 2.07 -1.91 -1.46 116.25 116.55 3igs h VAL 115 Ca -0.49 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3igs h VAL 115 Cb 1.30 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3igs h VAL 115 CO 0.59 0.06 0.58 -0.08 0.02 0.00 0.00 177.57 178.74 3igs h GLU 116 N 0.34 0.94 -0.37 1.57 4.81 -1.98 -0.61 114.58 119.30 3igs h GLU 116 Ca 0.34 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 3igs h GLU 116 Cb 0.49 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3igs h GLU 116 CO -0.38 0.62 -0.41 0.00 -0.73 0.00 0.00 179.01 178.11 3igs h ALA 117 N 1.53 0.54 -0.31 2.92 0.00 -1.65 -0.53 119.26 121.75 3igs h ALA 117 Ca 0.40 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3igs h ALA 117 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3igs h ALA 117 CO -0.16 0.67 0.08 -0.07 0.00 0.00 0.00 179.25 179.77 3igs h LEU 118 N 0.74 0.47 -0.85 0.00 3.38 -0.70 -1.44 115.31 116.91 3igs h LEU 118 Ca 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3igs h LEU 118 Cb 1.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3igs h LEU 118 CO 0.10 0.58 0.45 -0.07 0.09 0.00 0.00 178.44 179.59 3igs h LEU 119 N 0.34 1.08 -0.78 1.67 3.38 -1.01 -1.74 115.31 118.25 3igs h LEU 119 Ca 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3igs h LEU 119 Cb 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3igs h LEU 119 CO 0.00 0.88 0.38 0.00 0.09 0.00 0.00 178.44 179.79 3igs h ALA 120 N 1.24 1.01 -0.57 1.53 0.00 -0.94 -1.19 119.26 120.34 3igs h ALA 120 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3igs h ALA 120 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3igs h ALA 120 CO -0.04 0.57 0.17 -0.09 0.00 0.00 0.00 179.25 179.85 3igs h ARG 121 N 1.11 0.90 -0.30 0.00 9.65 -0.83 0.17 114.38 125.07 3igs h ARG 121 Ca 0.27 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3igs h ARG 121 Cb 0.11 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3igs h ARG 121 CO -0.03 0.82 0.14 0.82 2.80 0.00 0.00 179.97 184.51 3igs h ILE 122 N 0.81 1.16 -0.83 1.20 2.04 -1.03 -2.51 117.51 118.36 3igs h ILE 122 Ca 0.18 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3igs h ILE 122 Cb 0.30 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3igs h ILE 122 CO -0.00 0.16 0.54 -0.74 0.00 0.00 0.00 178.15 178.11 3igs h HIS 123 N 0.34 0.94 -0.02 1.37 2.76 -0.88 -1.47 115.15 118.20 3igs h HIS 123 Ca 0.10 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3igs h HIS 123 Cb 0.13 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3igs h HIS 123 CO -0.02 0.51 -0.14 1.25 -1.30 0.00 0.00 177.93 178.24 3igs h HIS 124 N 0.94 0.03 -0.02 5.26 -0.00 -0.24 0.14 115.15 121.26 3igs h HIS 124 Ca 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3igs h HIS 124 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 3igs h HIS 124 CO -0.00 0.17 0.00 0.72 -0.00 0.00 0.00 177.93 178.81 3igs n HIS 125 N -4.36 0.03 -2.93 5.26 -0.00 -0.56 -4.89 115.22 107.77 3igs n HIS 125 Ca -0.02 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.72 57.49 3igs n HIS 125 Cb 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.24 3igs n HIS 125 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3igs n HIS 126 N -0.63 -1.70 -4.20 4.41 8.25 0.04 -5.02 115.22 116.36 3igs n HIS 126 Ca 0.14 0.47 -0.24 0.00 -0.26 0.00 0.00 57.72 57.82 3igs n HIS 126 Cb 0.10 -3.99 -0.07 0.00 1.12 0.00 0.00 29.99 27.14 3igs n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3igs s LEU 127 N -5.73 3.12 0.33 2.41 1.43 -1.16 -5.06 118.68 114.03 3igs s LEU 127 Ca 0.27 -0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 52.20 3igs s LEU 127 Cb -0.12 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.48 3igs s LEU 127 CO 0.33 -0.32 0.92 -0.76 0.23 0.00 0.00 176.35 176.75 3igs s LEU 128 N -3.81 4.26 0.00 1.79 1.43 -1.01 -4.27 118.68 117.07 3igs s LEU 128 Ca 0.37 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 3igs s LEU 128 Cb -0.00 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3igs s LEU 128 CO 0.21 -0.11 0.00 0.35 0.23 0.00 0.00 176.35 177.03 3igs n THR 129 N 0.34 0.00 -3.57 5.49 -2.24 -1.26 -1.53 114.28 111.50 3igs n THR 129 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3igs n THR 129 Cb 0.51 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 3igs n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igs s ALA 131 N -2.00 -2.10 -0.58 6.98 0.00 -0.27 -1.62 121.76 122.17 3igs s ALA 131 Ca 0.00 2.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.98 3igs s ALA 131 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.32 3igs s ALA 131 CO 0.00 -0.99 1.03 -0.51 0.00 0.00 0.00 175.76 175.29 3igs s ASP 132 N 2.88 6.33 0.40 0.00 1.01 0.64 -0.50 116.67 127.44 3igs s ASP 132 Ca -0.02 -0.32 0.08 0.00 0.71 0.00 0.00 52.55 53.00 3igs s ASP 132 Cb -0.12 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3igs s ASP 132 CO -0.19 -1.36 0.21 0.00 0.21 0.00 0.00 175.17 174.04 3igs n SER 134 N -1.27 2.91 -3.98 0.00 3.41 -1.26 -2.85 113.62 110.58 3igs n SER 134 Ca -0.01 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.41 3igs n SER 134 Cb 0.63 0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 65.33 3igs n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3igs s SER 135 N -1.38 -0.11 0.15 4.04 1.04 -1.26 -4.26 113.70 111.92 3igs s SER 135 Ca 0.00 -0.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 3igs s SER 135 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.73 3igs s SER 135 CO 0.00 -1.15 1.78 0.58 0.98 0.00 0.00 173.24 175.43 3igs h VAL 136 N 2.24 1.02 -0.04 5.02 2.07 -1.98 -0.68 116.25 123.89 3igs h VAL 136 Ca -0.26 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3igs h VAL 136 Cb 1.25 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3igs h VAL 136 CO 0.34 0.07 0.02 0.44 0.02 0.00 0.00 177.57 178.46 3igs h ASP 137 N 0.39 0.06 -0.30 0.57 3.32 -1.99 -0.60 116.42 117.87 3igs h ASP 137 Ca 0.14 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3igs h ASP 137 Cb 0.02 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3igs h ASP 137 CO -0.08 0.22 -0.15 -2.24 -1.72 0.00 0.00 179.24 175.27 3igs h ASP 138 N -0.11 0.75 -0.58 6.45 3.04 -1.89 -1.87 116.42 122.21 3igs h ASP 138 Ca 0.01 -0.24 -0.03 0.00 -3.24 0.00 0.00 57.03 53.54 3igs h ASP 138 Cb 0.18 -0.20 -0.03 0.00 -1.04 0.00 0.00 39.33 38.24 3igs h ASP 138 CO -0.00 0.91 0.24 1.23 -2.04 0.00 0.00 179.24 179.58 3igs h GLY 139 N 0.97 0.92 1.51 7.15 0.00 -1.02 -0.50 103.07 112.10 3igs h GLY 139 Ca 0.11 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3igs h GLY 139 CO 0.04 0.46 -0.43 1.41 0.00 0.00 0.00 176.54 178.03 3igs h LEU 140 N 0.79 0.58 -0.45 3.11 3.38 -1.06 -0.70 115.31 120.96 3igs h LEU 140 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3igs h LEU 140 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3igs h LEU 140 CO -0.02 0.93 0.25 0.00 0.09 0.00 0.00 178.44 179.69 3igs h ALA 141 N 1.09 0.57 -0.27 1.53 0.00 -1.05 -0.09 119.26 121.05 3igs h ALA 141 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3igs h ALA 141 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3igs h ALA 141 CO 0.08 0.09 -0.25 0.00 0.00 0.00 0.00 179.25 179.17 3igs h GLN 143 N 0.45 0.68 -0.23 0.00 5.75 -0.87 -1.79 115.11 119.11 3igs h GLN 143 Ca 0.07 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3igs h GLN 143 Cb 0.68 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 3igs h GLN 143 CO 0.05 0.52 -0.09 -0.09 -2.65 0.00 0.00 178.83 176.58 3igs h ARG 144 N 0.66 0.36 0.00 1.69 9.65 -0.41 -0.55 114.38 125.78 3igs h ARG 144 Ca 0.18 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3igs h ARG 144 Cb 0.03 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3igs h ARG 144 CO -0.03 0.46 0.00 1.28 2.80 0.00 0.00 179.97 184.48 3igs n LEU 145 N -4.27 0.25 0.00 3.80 4.77 -0.09 -4.89 117.00 116.57 3igs n LEU 145 Ca 0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3igs n LEU 145 Cb 0.27 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3igs n LEU 145 CO 0.38 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3igs n GLY 146 N -0.02 1.02 3.71 -0.72 0.00 -0.21 -5.00 105.19 103.98 3igs n GLY 146 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3igs n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igs n ALA 147 N -1.95 1.86 -0.05 4.61 0.00 -0.73 -4.91 120.51 119.35 3igs n ALA 147 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 3igs n ALA 147 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 3igs n ALA 147 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3igs h ASP 148 N 4.20 0.88 -4.10 0.00 3.32 -1.78 -3.45 116.42 115.49 3igs h ASP 148 Ca -0.46 -0.49 -0.51 0.00 0.02 0.00 0.00 57.03 55.58 3igs h ASP 148 Cb 1.25 -0.25 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3igs h ASP 148 CO 0.75 1.27 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.09 3igs s ILE 149 N -4.01 1.21 -0.22 0.35 1.01 -0.64 -4.51 121.20 114.39 3igs s ILE 149 Ca -0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3igs s ILE 149 Cb 0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3igs s ILE 149 CO 0.88 0.35 -0.01 -0.63 0.00 0.00 0.00 174.94 175.53 3igs s ILE 150 N -0.18 3.66 0.17 2.92 -1.09 -0.32 -1.11 121.20 125.24 3igs s ILE 150 Ca 0.02 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3igs s ILE 150 Cb -0.08 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3igs s ILE 150 CO 0.00 0.41 0.36 -0.83 -1.23 0.00 0.00 174.94 173.65 3igs s GLY 151 N 1.42 1.91 -0.10 6.18 0.00 0.34 -1.04 107.32 116.04 3igs s GLY 151 Ca 0.05 -0.80 0.12 0.00 0.00 0.00 0.00 44.72 44.10 3igs s GLY 151 CO -0.01 -0.75 1.38 -1.30 0.00 0.00 0.00 173.10 172.42 3igs n THR 152 N -0.40 1.45 0.00 0.90 -2.24 -0.55 -1.02 114.28 112.42 3igs n THR 152 Ca -0.04 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3igs n THR 152 Cb 0.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3igs n THR 152 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3igs n THR 153 N 0.68 0.00 -1.84 4.28 -1.04 -1.15 -4.66 114.28 110.55 3igs n THR 153 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3igs n THR 153 Cb 0.73 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 3igs n THR 153 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3igs n SER 155 N 0.26 -5.17 0.00 8.00 2.88 -1.13 -4.81 113.62 113.64 3igs n SER 155 Ca 0.00 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3igs n SER 155 Cb 0.00 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 3igs n SER 155 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3igs n GLY 156 N 1.61 0.17 0.29 0.46 0.00 -1.26 -4.89 105.19 101.57 3igs n GLY 156 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3igs n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3igs n TYR 157 N -1.98 0.06 -0.15 1.61 4.01 -1.26 -4.11 117.16 115.35 3igs n TYR 157 Ca 0.00 -0.11 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3igs n TYR 157 Cb 0.00 -0.01 0.29 0.00 -0.31 0.00 0.00 39.34 39.31 3igs n TYR 157 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3igs n THR 158 N 0.31 1.31 -4.34 -0.72 -2.24 -1.26 -4.84 114.28 102.51 3igs n THR 158 Ca 0.05 -0.93 -0.20 0.00 -2.27 0.00 0.00 64.05 60.70 3igs n THR 158 Cb 0.21 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 3igs n THR 158 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3igs s THR 159 N -1.62 0.24 -1.53 4.28 -4.23 -1.26 -5.05 115.64 106.46 3igs s THR 159 Ca 0.42 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.23 3igs s THR 159 Cb 0.26 -2.48 0.57 0.00 1.34 0.00 0.00 72.50 72.19 3igs s THR 159 CO 0.23 0.00 2.05 -0.81 -0.54 0.00 0.00 174.62 175.55 3igs n PRO 160 N -0.63 0.54 -4.01 3.99 -0.05 -1.26 -4.68 135.00 128.89 3igs n PRO 160 Ca 0.02 -0.03 -0.35 0.00 -0.05 0.00 0.00 63.50 63.09 3igs n PRO 160 Cb 0.64 -1.50 -0.11 0.00 -0.05 0.00 0.00 33.50 32.48 3igs n PRO 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3igs s ASP 161 N -2.48 5.37 -0.07 3.54 -0.00 -1.26 -5.10 116.67 116.66 3igs s ASP 161 Ca 0.31 -0.03 0.04 0.00 -0.00 0.00 0.00 52.55 52.87 3igs s ASP 161 Cb 0.20 -1.93 0.00 0.00 -0.00 0.00 0.00 42.92 41.20 3igs s ASP 161 CO 0.45 0.12 -0.18 -0.89 -0.00 0.00 0.00 175.17 174.67 3igs s THR 162 N 0.69 1.61 0.73 -1.27 2.01 -1.26 -4.76 115.64 113.39 3igs s THR 162 Ca 0.02 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 3igs s THR 162 Cb -0.13 -1.41 0.04 0.00 0.01 0.00 0.00 72.50 71.01 3igs s THR 162 CO 0.02 0.46 1.16 -2.84 -0.69 0.00 0.00 174.62 172.73 3igs s PRO 163 N 0.37 2.25 0.04 4.92 0.02 -1.26 -4.97 135.00 136.37 3igs s PRO 163 Ca -0.14 1.57 -0.20 0.00 0.02 0.00 0.00 61.00 62.24 3igs s PRO 163 Cb -0.16 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 3igs s PRO 163 CO 0.06 -1.71 1.35 1.49 -0.33 0.00 0.00 177.00 177.85 3igs h GLU 164 N -0.43 0.35 -7.12 5.54 4.81 -2.01 -3.46 114.58 112.26 3igs h GLU 164 Ca -0.46 -0.18 -0.47 0.00 -0.13 0.00 0.00 59.36 58.11 3igs h GLU 164 Cb 1.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.68 3igs h GLU 164 CO 0.50 0.73 0.37 -1.21 -0.73 0.00 0.00 179.01 178.67 3igs s GLU 165 N -4.34 3.79 0.72 1.92 0.41 -1.26 -4.96 118.70 114.99 3igs s GLU 165 Ca -0.14 1.20 -0.12 0.00 -0.41 0.00 0.00 54.97 55.49 3igs s GLU 165 Cb 0.05 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.33 3igs s GLU 165 CO 0.75 -0.42 1.10 -1.25 -0.49 0.00 0.00 175.26 174.95 3igs s PRO 166 N -3.59 2.48 -1.14 0.39 0.04 -1.26 -4.93 135.00 126.99 3igs s PRO 166 Ca 0.64 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 3igs s PRO 166 Cb -0.14 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.60 3igs s PRO 166 CO 0.25 -1.48 1.46 0.34 0.04 0.00 0.00 177.00 177.60 3igs s ASP 167 N -3.02 6.80 0.10 6.66 -1.08 -1.26 -4.80 116.67 120.06 3igs s ASP 167 Ca 0.64 -2.33 -0.15 0.00 -0.52 0.00 0.00 52.55 50.19 3igs s ASP 167 Cb -0.19 -2.48 -0.10 0.00 -1.46 0.00 0.00 42.92 38.69 3igs s ASP 167 CO 0.50 -1.09 1.39 -0.07 0.52 0.00 0.00 175.17 176.41 3igs h LEU 168 N 11.29 0.78 -1.76 -1.34 3.38 -1.97 -3.26 115.31 122.43 3igs h LEU 168 Ca 0.30 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3igs h LEU 168 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3igs h LEU 168 CO 1.31 1.15 0.15 -0.65 0.09 0.00 0.00 178.44 180.49 3igs h PRO 169 N 0.45 0.31 -0.50 1.13 0.11 -1.98 -1.06 132.00 130.46 3igs h PRO 169 Ca 0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 3igs h PRO 169 Cb 0.98 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3igs h PRO 169 CO 0.09 0.21 0.12 1.25 -0.21 0.00 0.00 178.00 179.45 3igs h LEU 170 N 0.31 0.70 -0.27 2.35 5.85 -1.97 -0.26 115.31 122.02 3igs h LEU 170 Ca 0.08 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3igs h LEU 170 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3igs h LEU 170 CO -0.02 0.70 0.14 0.58 -0.34 0.00 0.00 178.44 179.51 3igs h VAL 171 N 0.73 1.01 -0.39 1.05 2.07 -1.27 -0.78 116.25 118.66 3igs h VAL 171 Ca 0.16 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 3igs h VAL 171 Cb 0.28 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3igs h VAL 171 CO -0.00 0.05 -0.17 0.50 0.02 0.00 0.00 177.57 177.97 3igs h LYS 172 N 0.30 0.81 -0.66 1.57 3.64 -1.20 -0.59 116.57 120.43 3igs h LYS 172 Ca 0.11 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3igs h LYS 172 Cb 0.02 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3igs h LYS 172 CO -0.07 0.97 0.43 0.00 -2.27 0.00 0.00 179.45 178.52 3igs h ALA 173 N 0.81 0.84 -0.22 5.00 0.00 -0.84 0.38 119.26 125.24 3igs h ALA 173 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3igs h ALA 173 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3igs h ALA 173 CO 0.05 0.25 -0.49 -0.07 0.00 0.00 0.00 179.25 178.99 3igs h LEU 174 N 0.88 0.81 -0.49 0.00 3.38 -1.09 -2.49 115.31 116.31 3igs h LEU 174 Ca 0.24 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3igs h LEU 174 Cb -0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3igs h LEU 174 CO -0.06 1.22 0.27 -0.74 0.09 0.00 0.00 178.44 179.23 3igs h HIS 175 N 0.44 0.51 0.00 1.13 2.76 -0.90 -1.81 115.15 117.27 3igs h HIS 175 Ca -0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3igs h HIS 175 Cb 1.11 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 3igs h HIS 175 CO 0.09 0.27 -0.19 -0.44 -1.30 0.00 0.00 177.93 176.36 3igs h ASP 176 N 0.54 0.00 0.04 3.26 3.32 -0.86 -1.52 116.42 121.20 3igs h ASP 176 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3igs h ASP 176 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3igs h ASP 176 CO -0.12 0.19 -0.01 0.00 -1.72 0.00 0.00 179.24 177.59 3igs n ALA 177 N -2.31 2.66 0.00 3.45 0.00 -0.91 -4.90 120.51 118.50 3igs n ALA 177 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3igs n ALA 177 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3igs n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3igs n GLY 178 N 1.07 0.92 3.84 0.00 0.00 -0.57 -5.09 105.19 105.36 3igs n GLY 178 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3igs n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igs s ARG 180 N -3.56 3.21 -0.20 0.00 3.52 -1.26 -4.41 118.95 116.26 3igs s ARG 180 Ca 0.58 -0.62 -0.07 0.00 -0.13 0.00 0.00 55.73 55.49 3igs s ARG 180 Cb -0.10 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 3igs s ARG 180 CO 0.23 -1.31 0.05 0.08 -0.81 0.00 0.00 175.30 173.54 3igs s VAL 181 N 3.15 4.56 -0.29 7.11 1.01 -1.26 -1.18 120.40 133.51 3igs s VAL 181 Ca 0.21 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 3igs s VAL 181 Cb -0.16 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3igs s VAL 181 CO 0.15 0.43 0.23 -0.63 0.00 0.00 0.00 175.10 175.29 3igs s ILE 182 N 0.68 5.28 -0.05 2.22 1.01 -0.20 -0.46 121.20 129.68 3igs s ILE 182 Ca 0.03 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 3igs s ILE 182 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3igs s ILE 182 CO 0.02 0.18 1.07 0.00 0.00 0.00 0.00 174.94 176.22 3igs s ALA 183 N 1.82 3.37 -0.18 9.38 0.00 -0.59 -1.49 121.76 134.06 3igs s ALA 183 Ca 0.08 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 3igs s ALA 183 Cb -0.16 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.60 3igs s ALA 183 CO 0.11 -0.54 0.40 -2.00 0.00 0.00 0.00 175.76 173.73 3igs s GLU 184 N 1.72 0.33 0.00 0.00 2.12 -1.26 -0.79 118.70 120.82 3igs s GLU 184 Ca 0.52 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.75 3igs s GLU 184 Cb -0.22 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.31 3igs s GLU 184 CO 0.23 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 3igs n GLY 185 N 4.89 2.66 2.22 -1.50 0.00 -1.26 -2.92 105.19 109.27 3igs n GLY 185 Ca -0.15 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3igs n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igs n ARG 186 N 0.00 -0.52 -1.70 1.61 1.74 -1.26 -4.51 116.66 112.03 3igs n ARG 186 Ca 0.00 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 3igs n ARG 186 Cb 0.00 -4.50 -0.00 0.00 -1.02 0.00 0.00 32.46 26.94 3igs n ARG 186 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3igs n TYR 187 N -2.78 3.45 1.70 -1.55 4.01 -1.26 -4.35 117.16 116.37 3igs n TYR 187 Ca -0.07 -2.97 0.15 0.00 -0.16 0.00 0.00 57.90 54.85 3igs n TYR 187 Cb 0.23 -2.54 0.72 0.00 -0.31 0.00 0.00 39.34 37.44 3igs n TYR 187 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3igs n ASN 188 N 5.97 0.71 -4.05 7.72 3.02 -1.26 -4.70 115.26 122.67 3igs n ASN 188 Ca 0.54 -1.16 -0.08 0.00 -0.03 0.00 0.00 54.58 53.85 3igs n ASN 188 Cb 0.38 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 3igs n ASN 188 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3igs s SER 189 N -2.07 0.45 0.27 6.41 1.04 -1.26 -4.84 113.70 113.71 3igs s SER 189 Ca 0.41 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3igs s SER 189 Cb 0.21 0.15 0.56 0.00 0.10 0.00 0.00 66.02 67.05 3igs s SER 189 CO 0.37 -0.47 1.78 -0.65 0.98 0.00 0.00 173.24 175.26 3igs h PRO 190 N 3.73 0.72 -0.83 4.02 0.11 -2.00 -2.15 132.00 135.60 3igs h PRO 190 Ca -0.33 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.79 3igs h PRO 190 Cb 1.17 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 3igs h PRO 190 CO 0.56 0.47 0.51 0.00 -0.21 0.00 0.00 178.00 179.34 3igs h ALA 191 N 1.56 1.12 -0.46 -0.75 0.00 -1.97 -0.81 119.26 117.96 3igs h ALA 191 Ca 0.49 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 3igs h ALA 191 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3igs h ALA 191 CO -0.34 0.28 -0.27 -0.07 0.00 0.00 0.00 179.25 178.85 3igs h LEU 192 N 0.96 1.02 -0.98 0.00 3.38 -1.79 -2.32 115.31 115.58 3igs h LEU 192 Ca 0.35 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3igs h LEU 192 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3igs h LEU 192 CO -0.16 1.21 0.56 0.00 0.09 0.00 0.00 178.44 180.15 3igs h ALA 193 N 0.85 1.23 -0.65 1.53 0.00 -0.92 -1.96 119.26 119.34 3igs h ALA 193 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3igs h ALA 193 Cb 0.85 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3igs h ALA 193 CO 0.08 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.21 3igs h ALA 194 N 1.33 1.18 -0.55 0.00 0.00 -0.96 -1.72 119.26 118.54 3igs h ALA 194 Ca 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3igs h ALA 194 Cb -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3igs h ALA 194 CO -0.06 0.58 0.33 0.93 0.00 0.00 0.00 179.25 181.03 3igs h GLU 195 N 0.94 0.74 -0.87 0.00 4.39 -0.81 -1.57 114.58 117.39 3igs h GLU 195 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3igs h GLU 195 Cb 0.24 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3igs h GLU 195 CO -0.01 0.52 0.49 0.00 -1.16 0.00 0.00 179.01 178.84 3igs h ALA 196 N 1.61 1.12 -0.50 3.43 0.00 -0.76 -0.36 119.26 123.80 3igs h ALA 196 Ca 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3igs h ALA 196 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3igs h ALA 196 CO -0.04 0.61 0.32 0.82 0.00 0.00 0.00 179.25 180.96 3igs h ILE 197 N 1.21 1.09 -0.44 0.00 1.08 -1.08 -0.68 117.51 118.69 3igs h ILE 197 Ca 0.31 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3igs h ILE 197 Cb 0.01 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 3igs h ILE 197 CO -0.05 0.12 0.29 0.03 -0.69 0.00 0.00 178.15 177.85 3igs h ARG 198 N 0.64 0.52 -0.00 2.37 3.08 -0.51 -0.89 114.38 119.59 3igs h ARG 198 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3igs h ARG 198 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3igs h ARG 198 CO -0.07 0.34 -0.00 0.66 -1.07 0.00 0.00 179.97 179.84 3igs n TYR 199 N -4.48 0.00 0.00 3.04 4.02 -0.22 -4.91 117.16 114.62 3igs n TYR 199 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3igs n TYR 199 Cb 0.11 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 3igs n TYR 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3igs n GLY 200 N 1.26 1.27 3.77 2.72 0.00 -0.34 -3.17 105.19 110.70 3igs n GLY 200 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3igs n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3igs s ALA 201 N -2.00 3.45 -0.02 4.61 0.00 -0.32 -4.79 121.76 122.69 3igs s ALA 201 Ca 0.00 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 3igs s ALA 201 Cb 0.00 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.35 3igs s ALA 201 CO 0.00 -0.94 1.11 2.35 0.00 0.00 0.00 175.76 178.28 3igs h TRP 202 N 2.94 0.38 -4.09 0.00 7.01 -1.11 -3.43 115.95 117.63 3igs h TRP 202 Ca -0.50 -0.18 -0.15 0.00 2.11 0.00 0.00 58.89 60.17 3igs h TRP 202 Cb 1.24 -0.05 -0.12 0.00 -2.10 0.00 0.00 29.16 28.13 3igs h TRP 202 CO 0.53 0.95 -0.35 0.00 -2.79 0.00 0.00 178.44 176.78 3igs s ALA 203 N -3.38 0.43 -0.10 2.65 0.00 -1.17 -4.90 121.76 115.29 3igs s ALA 203 Ca -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3igs s ALA 203 Cb 0.02 1.22 0.02 0.00 0.00 0.00 0.00 23.12 24.38 3igs s ALA 203 CO 0.76 -0.73 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 3igs s VAL 204 N -4.07 1.08 -0.17 0.00 1.01 -0.47 -1.55 120.40 116.24 3igs s VAL 204 Ca 0.30 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3igs s VAL 204 Cb 0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3igs s VAL 204 CO 0.11 0.37 0.27 -0.89 0.00 0.00 0.00 175.10 174.95 3igs s THR 205 N 1.30 5.32 -0.05 3.92 2.01 0.03 -0.86 115.64 127.31 3igs s THR 205 Ca -0.02 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.51 3igs s THR 205 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 3igs s THR 205 CO -0.04 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.41 3igs s VAL 206 N 0.48 1.56 0.00 3.82 1.01 -0.23 -4.20 120.40 122.84 3igs s VAL 206 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3igs s VAL 206 Cb -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3igs s VAL 206 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3igs n GLY 207 N 3.24 0.33 0.27 4.51 0.00 -1.26 -0.98 105.19 111.30 3igs n GLY 207 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3igs n GLY 207 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3igs h SER 208 N 0.00 -0.03 0.43 1.61 0.02 -1.92 0.14 113.55 113.79 3igs h SER 208 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3igs h SER 208 Cb 0.00 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3igs h SER 208 CO 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 3igs n ALA 209 N -2.69 1.66 -0.03 3.77 0.00 -1.26 -2.05 120.51 119.91 3igs n ALA 209 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 3igs n ALA 209 Cb 0.45 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3igs n ALA 209 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3igs n ILE 210 N -1.46 0.32 -0.01 0.00 5.41 -0.43 -4.90 119.36 118.29 3igs n ILE 210 Ca 0.04 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3igs n ILE 210 Cb 0.15 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 3igs n ILE 210 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3igs n THR 211 N -2.93 0.97 -3.91 1.39 -2.24 -0.10 -4.80 114.28 102.67 3igs n THR 211 Ca -0.10 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.41 3igs n THR 211 Cb 0.59 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 69.21 3igs n THR 211 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3igs s ARG 212 N -0.97 2.36 0.22 -0.78 0.52 -0.87 -4.05 118.95 115.39 3igs s ARG 212 Ca 0.00 -3.16 -0.07 0.00 -0.52 0.00 0.00 55.73 51.98 3igs s ARG 212 Cb 0.00 -3.42 0.34 0.00 0.52 0.00 0.00 34.95 32.39 3igs s ARG 212 CO 0.00 -1.24 1.75 1.25 0.02 0.00 0.00 175.30 177.09 3igs h LEU 213 N 5.71 0.33 -1.16 2.53 6.46 -1.87 -0.79 115.31 126.51 3igs h LEU 213 Ca 0.09 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3igs h LEU 213 Cb 0.79 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 3igs h LEU 213 CO 0.72 0.18 0.49 -0.33 -0.62 0.00 0.00 178.44 178.88 3igs h GLU 214 N 0.49 1.06 0.16 1.25 3.07 -1.94 -1.15 114.58 117.52 3igs h GLU 214 Ca 0.35 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 3igs h GLU 214 Cb 0.43 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3igs h GLU 214 CO -0.31 0.73 -0.08 0.45 -1.40 0.00 0.00 179.01 178.40 3igs h HIS 215 N 1.09 -0.20 -0.61 4.33 3.86 -1.52 -2.15 115.15 119.95 3igs h HIS 215 Ca 0.29 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 3igs h HIS 215 Cb -0.07 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 3igs h HIS 215 CO 0.00 -0.05 0.33 0.82 0.86 0.00 0.00 177.93 179.89 3igs h ILE 216 N -0.29 0.96 -0.74 2.45 2.04 -0.94 -1.34 117.51 119.64 3igs h ILE 216 Ca -0.02 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3igs h ILE 216 Cb 0.23 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 3igs h ILE 216 CO 0.04 0.11 0.42 0.00 0.00 0.00 0.00 178.15 178.71 3igs h GLY 218 N 0.73 1.26 1.02 0.00 0.00 -0.59 0.12 103.07 105.61 3igs h GLY 218 Ca 0.35 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3igs h GLY 218 CO -0.22 0.28 0.34 1.49 0.00 0.00 0.00 176.54 178.44 3igs h TRP 219 N 0.98 1.07 -0.26 5.60 6.55 -0.65 -0.46 115.95 128.77 3igs h TRP 219 Ca 0.36 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 60.11 3igs h TRP 219 Cb 0.13 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 3igs h TRP 219 CO -0.03 0.80 0.03 1.88 -1.05 0.00 0.00 178.44 180.07 3igs h TYR 220 N 1.04 0.47 -0.89 0.49 -1.99 -0.79 -2.83 116.97 112.46 3igs h TYR 220 Ca 0.25 -0.07 0.05 0.00 2.00 0.00 0.00 58.73 60.96 3igs h TYR 220 Cb 0.14 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 38.68 3igs h TYR 220 CO 0.01 0.56 0.57 -0.91 -0.00 0.00 0.00 178.16 178.39 3igs h ASN 221 N 0.25 0.92 -0.38 3.88 2.35 -0.47 0.10 115.58 122.23 3igs h ASN 221 Ca 0.08 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 3igs h ASN 221 Cb 0.35 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 3igs h ASN 221 CO 0.01 0.61 0.10 0.44 -1.65 0.00 0.00 177.43 176.94 3igs h ASP 222 N 1.07 0.07 -0.23 5.81 3.32 -1.00 0.98 116.42 126.43 3igs h ASP 222 Ca 0.37 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.32 3igs h ASP 222 Cb 0.10 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3igs h ASP 222 CO -0.15 0.07 -0.46 0.00 -1.72 0.00 0.00 179.24 176.98 3igs h ALA 223 N 1.27 0.37 -0.74 3.45 0.00 -1.14 -2.09 119.26 120.38 3igs h ALA 223 Ca 0.18 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3igs h ALA 223 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3igs h ALA 223 CO -0.21 0.52 0.35 -0.07 0.00 0.00 0.00 179.25 179.84 3igs h LEU 224 N 0.45 0.98 -0.43 0.00 3.38 -0.58 -1.74 115.31 117.37 3igs h LEU 224 Ca 0.01 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3igs h LEU 224 Cb 1.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3igs h LEU 224 CO 0.10 0.85 -0.13 0.11 0.09 0.00 0.00 178.44 179.46 3igs h LYS 225 N 1.05 0.85 -0.72 1.13 1.57 -0.76 -2.77 116.57 116.91 3igs h LYS 225 Ca 0.25 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3igs h LYS 225 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3igs h LYS 225 CO -0.03 0.97 0.42 -0.22 -0.57 0.00 0.00 179.45 180.02 3igs h LYS 226 N 0.67 0.98 0.00 3.15 3.64 -1.20 -1.76 116.57 122.05 3igs h LYS 226 Ca 0.11 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3igs h LYS 226 Cb 0.67 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3igs h LYS 226 CO 0.05 0.70 -0.02 0.00 -2.27 0.00 0.00 179.45 177.92 3igs h ALA 227 N 1.46 1.01 0.22 5.00 0.00 -1.09 -2.32 119.26 123.54 3igs h ALA 227 Ca 0.26 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.82 3igs h ALA 227 Cb -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.80 3igs h ALA 227 CO -0.05 0.02 -1.53 0.00 0.00 0.00 0.00 179.25 177.69 3igs h ALA 228 N 1.98 -0.05 0.00 0.00 0.00 -1.14 -3.51 119.26 116.54 3igs h ALA 228 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3igs h ALA 228 Cb 0.47 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3igs h ALA 228 CO 0.00 0.78 0.00 -1.13 0.00 0.00 0.00 179.25 178.90