#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igs n ASN -1 N 0.00 2.05 -4.33 6.43 0.23 -1.26 -5.17 115.26 113.20 3igs n ASN -1 Ca 0.00 -2.09 -0.29 0.00 -0.53 0.00 0.00 54.58 51.67 3igs n ASN -1 Cb 0.00 -0.30 0.18 0.00 -2.08 0.00 0.00 39.78 37.58 3igs n ASN -1 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3igs s ALA 0 N -1.61 1.55 0.00 -2.53 0.00 -1.26 -5.11 121.76 112.79 3igs s ALA 0 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3igs s ALA 0 Cb 0.13 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3igs s ALA 0 CO 0.13 -2.71 0.00 -1.13 0.00 0.00 0.00 175.76 172.05 3igs n SER 2 N -4.06 0.00 -0.25 0.00 3.41 -1.26 -4.92 113.62 106.54 3igs n SER 2 Ca 0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.65 3igs n SER 2 Cb 0.59 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.59 3igs n SER 2 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3igs h LEU 3 N 0.00 0.94 -0.85 1.04 5.85 -2.03 0.98 115.31 121.23 3igs h LEU 3 Ca 0.00 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3igs h LEU 3 Cb 0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 3igs h LEU 3 CO 0.00 0.83 0.53 -0.07 -0.34 0.00 0.00 178.44 179.39 3igs h LEU 4 N 0.99 0.84 -0.59 2.25 3.38 -2.03 -0.24 115.31 119.91 3igs h LEU 4 Ca 0.24 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 3igs h LEU 4 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3igs h LEU 4 CO -0.03 0.54 -0.53 -0.33 0.09 0.00 0.00 178.44 178.19 3igs h GLU 5 N 0.97 0.48 -0.47 1.13 5.08 -1.78 0.11 114.58 120.11 3igs h GLU 5 Ca 0.37 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3igs h GLU 5 Cb 0.15 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3igs h GLU 5 CO -0.17 0.89 0.30 1.96 -1.00 0.00 0.00 179.01 180.99 3igs h GLN 6 N 0.37 0.58 -0.48 2.33 4.20 -0.30 -1.35 115.11 120.47 3igs h GLN 6 Ca 0.01 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3igs h GLN 6 Cb 1.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 3igs h GLN 6 CO 0.10 0.39 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.51 3igs h LEU 7 N 0.60 0.88 -0.49 1.46 3.38 -0.76 -1.39 115.31 118.99 3igs h LEU 7 Ca 0.18 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3igs h LEU 7 Cb -0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.38 3igs h LEU 7 CO -0.06 1.01 -0.27 0.44 0.09 0.00 0.00 178.44 179.65 3igs h ASP 8 N 0.73 -0.92 -0.65 -0.43 3.32 -0.50 0.26 116.42 118.23 3igs h ASP 8 Ca 0.13 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3igs h ASP 8 Cb 0.59 0.47 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3igs h ASP 8 CO 0.04 -0.28 0.29 0.11 -1.72 0.00 0.00 179.24 177.68 3igs h LYS 9 N -0.16 0.95 0.00 3.56 1.57 -0.91 -2.18 116.57 119.40 3igs h LYS 9 Ca 0.22 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3igs h LYS 9 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3igs h LYS 9 CO -0.59 0.78 -0.61 -0.97 -0.57 0.00 0.00 179.45 177.49 3igs h ASN 10 N 0.90 0.00 -0.41 0.86 -1.24 -0.61 -1.49 115.58 113.59 3igs h ASN 10 Ca 0.22 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.24 3igs h ASN 10 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3igs h ASN 10 CO -0.02 0.61 0.26 0.40 -1.29 0.00 0.00 177.43 177.38 3igs h ILE 11 N 0.00 1.07 -0.65 2.57 2.04 -0.32 0.22 117.51 122.44 3igs h ILE 11 Ca -0.01 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3igs h ILE 11 Cb 1.24 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3igs h ILE 11 CO 0.08 0.09 0.16 0.00 0.00 0.00 0.00 178.15 178.49 3igs h ALA 12 N 1.17 1.05 0.08 1.87 0.00 -1.18 0.28 119.26 122.54 3igs h ALA 12 Ca 0.16 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 3igs h ALA 12 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.53 3igs h ALA 12 CO -0.06 0.63 -1.16 0.00 0.00 0.00 0.00 179.25 178.65 3igs h ALA 13 N 1.19 0.09 0.00 0.00 0.00 -1.01 -3.39 119.26 116.14 3igs h ALA 13 Ca 0.21 -0.76 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 3igs h ALA 13 Cb 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3igs h ALA 13 CO 0.00 0.74 -2.08 0.43 0.00 0.00 0.00 179.25 178.34 3igs n SER 14 N -3.77 1.04 0.00 0.00 7.64 0.76 -5.04 113.62 114.26 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 0.95 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 65.10 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 1.98 3.99 0.00 0.23 0.00 0.08 -4.82 105.19 106.65 3igs n GLY 15 Ca -0.25 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 1.77 3.71 -0.02 0.00 -1.22 -4.84 105.19 104.59 3igs n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.34 -0.17 0.99 2.96 -1.26 -1.35 118.68 124.20 3igs s LEU 17 Ca 0.00 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.56 3igs s LEU 17 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3igs s LEU 17 CO 0.00 -0.31 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.98 3igs s ILE 18 N 1.23 3.05 -0.30 6.68 1.01 0.03 -0.64 121.20 132.25 3igs s ILE 18 Ca 0.52 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 3igs s ILE 18 Cb -0.21 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3igs s ILE 18 CO 0.26 0.49 0.20 -0.69 0.00 0.00 0.00 174.94 175.21 3igs s VAL 19 N 0.85 5.27 -0.32 2.92 1.01 -0.94 -0.98 120.40 128.21 3igs s VAL 19 Ca -0.03 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 3igs s VAL 19 Cb -0.15 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3igs s VAL 19 CO 0.00 0.16 0.90 -0.55 0.00 0.00 0.00 175.10 175.61 3igs s SER 20 N 1.74 6.74 -1.08 3.32 0.15 -0.21 -1.37 113.70 122.98 3igs s SER 20 Ca 0.07 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 57.42 3igs s SER 20 Cb -0.16 -2.46 0.31 0.00 -1.71 0.00 0.00 66.02 62.00 3igs s SER 20 CO 0.11 -0.74 1.52 0.00 1.20 0.00 0.00 173.24 175.32 3igs s GLN 22 N -2.85 1.62 1.03 0.00 -0.21 -1.26 -4.68 119.66 113.31 3igs s GLN 22 Ca 0.32 -2.19 -0.12 0.00 0.02 0.00 0.00 55.36 53.39 3igs s GLN 22 Cb 0.06 -3.01 0.21 0.00 1.00 0.00 0.00 33.01 31.26 3igs s GLN 22 CO 0.09 -1.06 1.07 -2.14 -2.12 0.00 0.00 175.29 171.13 3igs s PRO 23 N 0.30 0.16 0.21 2.91 0.02 -1.26 -4.64 135.00 132.70 3igs s PRO 23 Ca 0.15 0.76 -0.31 0.00 0.02 0.00 0.00 61.00 61.62 3igs s PRO 23 Cb -0.23 -1.69 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 3igs s PRO 23 CO -0.04 -2.97 1.50 0.08 -0.33 0.00 0.00 177.00 175.23 3igs s VAL 24 N -2.76 2.67 0.23 3.83 1.01 -1.26 -4.89 120.40 119.22 3igs s VAL 24 Ca 0.66 0.52 -0.32 0.00 0.00 0.00 0.00 61.98 62.84 3igs s VAL 24 Cb -0.21 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 3igs s VAL 24 CO 0.60 0.06 1.60 -2.65 0.00 0.00 0.00 175.10 174.71 3igs n PRO 25 N 3.12 2.49 -0.91 2.72 -0.02 -1.26 -1.34 135.00 139.80 3igs n PRO 25 Ca 0.10 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3igs n PRO 25 Cb 0.40 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 2.97 0.82 3.65 -1.23 0.00 -1.26 -5.02 105.19 105.11 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 -1.26 0.00 0.00 0.00 173.32 172.06 3igs n SER 27 N -0.00 1.01 0.17 1.61 2.88 -0.45 -4.88 113.62 113.95 3igs n SER 27 Ca 0.00 0.73 0.18 0.00 -1.33 0.00 0.00 58.87 58.46 3igs n SER 27 Cb 0.00 -1.45 0.80 0.00 -0.75 0.00 0.00 64.21 62.81 3igs n SER 27 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3igs h PRO 28 N 0.05 0.00 -0.00 -1.46 0.11 -1.95 -0.62 132.00 128.13 3igs h PRO 28 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3igs h PRO 28 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3igs h PRO 28 CO 0.49 0.00 -0.26 1.28 -0.21 0.00 0.00 178.00 179.30 3igs n LEU 29 N -3.63 0.59 -3.96 2.35 4.77 -1.26 -4.58 117.00 111.27 3igs n LEU 29 Ca 0.04 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 3igs n LEU 29 Cb 0.46 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3igs n LEU 29 CO 0.25 0.12 2.10 -0.67 -1.33 0.00 0.00 177.39 177.86 3igs n ASP 30 N -1.09 4.74 -4.06 -1.43 2.03 -0.24 -4.48 116.55 112.02 3igs n ASP 30 Ca 0.10 -3.00 -0.18 0.00 0.52 0.00 0.00 54.79 52.24 3igs n ASP 30 Cb 0.32 -1.57 -0.14 0.00 -0.72 0.00 0.00 41.12 39.02 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 1.68 0.71 0.28 -0.67 -0.14 -1.26 -4.82 119.74 115.52 3igs s LYS 31 Ca 0.43 -0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 54.50 3igs s LYS 31 Cb 0.09 -0.66 0.45 0.00 -1.68 0.00 0.00 37.83 36.02 3igs s LYS 31 CO -0.02 0.17 1.91 -1.35 -0.76 0.00 0.00 175.35 175.30 3igs h PRO 32 N 5.33 1.10 -0.40 -1.68 0.11 -1.90 -0.28 132.00 134.27 3igs h PRO 32 Ca -0.34 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 3igs h PRO 32 Cb 1.19 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3igs h PRO 32 CO 0.46 0.73 0.12 0.93 -0.21 0.00 0.00 178.00 180.03 3igs h GLU 33 N 1.13 0.58 -0.11 1.05 5.08 -1.95 -0.81 114.58 119.55 3igs h GLU 33 Ca 0.40 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.50 3igs h GLU 33 Cb 0.12 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.27 3igs h GLU 33 CO -0.14 0.52 -0.58 0.82 -1.00 0.00 0.00 179.01 178.62 3igs h ILE 34 N 0.57 1.35 -0.50 3.13 2.04 -1.55 -1.77 117.51 120.79 3igs h ILE 34 Ca 0.14 -1.88 0.04 0.00 1.00 0.00 0.00 64.86 64.16 3igs h ILE 34 Cb 0.18 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3igs h ILE 34 CO -0.01 0.57 0.26 0.58 0.00 0.00 0.00 178.15 179.55 3igs h VAL 35 N 0.21 0.97 -0.78 1.67 2.07 -0.87 -2.22 116.25 117.30 3igs h VAL 35 Ca -0.04 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3igs h VAL 35 Cb 1.23 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3igs h VAL 35 CO 0.12 0.09 0.36 0.00 0.02 0.00 0.00 177.57 178.16 3igs h ALA 36 N 1.26 1.01 0.00 1.67 0.00 -1.16 -1.34 119.26 120.70 3igs h ALA 36 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3igs h ALA 36 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3igs h ALA 36 CO -0.14 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3igs n ALA 37 N -2.41 1.64 0.00 0.00 0.00 -0.67 -0.95 120.51 118.12 3igs n ALA 37 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3igs n ALA 37 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.00 0.00 -0.14 0.00 0.00 -0.51 -1.16 120.51 119.71 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 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 3igs n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3igs h LEU 40 N 0.00 0.53 -0.65 0.00 3.38 -1.31 -1.50 115.31 115.75 3igs h LEU 40 Ca 0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3igs h LEU 40 Cb 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3igs h LEU 40 CO 0.00 0.51 0.41 0.00 0.09 0.00 0.00 178.44 179.45 3igs h ALA 41 N 1.04 0.85 -0.50 1.53 0.00 -1.39 -1.31 119.26 119.48 3igs h ALA 41 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3igs h ALA 41 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3igs h ALA 41 CO -0.02 0.17 0.32 0.00 0.00 0.00 0.00 179.25 179.72 3igs h ALA 42 N 1.28 0.64 0.00 0.00 0.00 -1.74 -2.26 119.26 117.18 3igs h ALA 42 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3igs h ALA 42 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3igs h ALA 42 CO -0.10 0.04 -0.18 1.05 0.00 0.00 0.00 179.25 180.06 3igs h GLU 43 N 0.64 0.00 -0.01 0.00 4.11 -0.92 -1.25 114.58 117.15 3igs h GLU 43 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3igs h GLU 43 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3igs h GLU 43 CO -0.07 0.18 0.00 1.04 0.07 0.00 0.00 179.01 180.23 3igs n GLN 44 N -3.33 1.09 -0.44 1.06 6.02 -0.53 -3.15 117.38 118.11 3igs n GLN 44 Ca 0.00 -0.13 0.05 0.00 -0.01 0.00 0.00 57.00 56.91 3igs n GLN 44 Cb 0.41 -1.37 0.07 0.00 1.02 0.00 0.00 30.24 30.37 3igs n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3igs n ALA 45 N -0.73 2.27 -0.27 -1.58 0.00 -0.55 -5.01 120.51 114.64 3igs n ALA 45 Ca 0.17 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.68 3igs n ALA 45 Cb 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.59 0.76 3.77 0.00 0.00 -1.07 -5.04 105.19 103.01 3igs n GLY 46 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 3.60 -0.56 4.61 0.00 -0.74 -4.69 121.76 121.73 3igs s ALA 47 Ca 0.00 1.47 0.24 0.00 0.00 0.00 0.00 51.96 53.67 3igs s ALA 47 Cb 0.00 -3.58 0.27 0.00 0.00 0.00 0.00 23.12 19.81 3igs s ALA 47 CO 0.00 -0.91 1.27 -0.39 0.00 0.00 0.00 175.76 175.73 3igs h VAL 48 N 3.15 0.00 -2.61 0.00 -1.51 -1.22 -3.42 116.25 110.63 3igs h VAL 48 Ca -0.49 -0.59 0.12 0.00 -1.23 0.00 0.00 66.70 64.51 3igs h VAL 48 Cb 1.23 1.16 -0.08 0.00 -2.13 0.00 0.00 31.29 31.47 3igs h VAL 48 CO 0.69 0.00 0.38 0.00 -1.23 0.00 0.00 177.57 177.41 3igs s ALA 49 N -3.20 -1.52 0.06 5.19 0.00 -1.25 -4.16 121.76 116.89 3igs s ALA 49 Ca 0.05 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3igs s ALA 49 Cb 0.12 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3igs s ALA 49 CO 0.73 -0.99 -0.12 0.14 0.00 0.00 0.00 175.76 175.52 3igs s VAL 50 N -3.52 0.96 -0.18 0.00 -7.23 -0.89 -2.21 120.40 107.33 3igs s VAL 50 Ca 0.10 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 3igs s VAL 50 Cb -0.03 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3igs s VAL 50 CO 0.02 -0.27 0.02 -0.60 -0.31 0.00 0.00 175.10 173.95 3igs s ARG 51 N -1.73 3.83 -0.04 4.82 3.52 -0.47 -0.37 118.95 128.51 3igs s ARG 51 Ca -0.04 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3igs s ARG 51 Cb -0.10 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3igs s ARG 51 CO 0.02 0.23 -0.14 0.42 -0.81 0.00 0.00 175.30 175.02 3igs s ILE 52 N 0.44 1.19 -0.15 4.11 -1.09 0.03 -1.09 121.20 124.64 3igs s ILE 52 Ca 0.00 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.83 3igs s ILE 52 Cb -0.13 -1.04 -0.02 0.00 -1.58 0.00 0.00 42.46 39.69 3igs s ILE 52 CO 0.02 0.35 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.30 3igs s GLU 53 N 0.16 3.52 0.00 2.79 -6.30 -1.26 -1.69 118.70 115.92 3igs s GLU 53 Ca -0.05 -0.60 0.00 0.00 -2.50 0.00 0.00 54.97 51.82 3igs s GLU 53 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 34.13 31.23 3igs s GLU 53 CO 0.02 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3igs n GLY 54 N 3.62 1.52 0.30 -1.50 0.00 -0.05 -4.46 105.19 104.61 3igs n GLY 54 Ca -0.18 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 1.21 -0.44 -0.61 1.08 -1.96 -0.68 117.51 116.11 3igs h ILE 55 Ca 0.00 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3igs h ILE 55 Cb 0.00 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3igs h ILE 55 CO 0.00 0.27 0.24 -2.24 -0.69 0.00 0.00 178.15 175.74 3igs h ASP 56 N 0.74 0.54 -0.44 1.72 2.03 -1.99 0.18 116.42 119.20 3igs h ASP 56 Ca 0.17 -0.08 -0.12 0.00 -0.73 0.00 0.00 57.03 56.27 3igs h ASP 56 Cb 0.24 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3igs h ASP 56 CO -0.01 0.47 -0.19 0.78 -1.03 0.00 0.00 179.24 179.26 3igs h ASN 57 N 0.57 0.92 -0.54 4.15 2.35 -1.72 -3.14 115.58 118.17 3igs h ASN 57 Ca 0.15 -0.40 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 3igs h ASN 57 Cb 0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3igs h ASN 57 CO -0.03 1.11 0.17 0.25 -1.65 0.00 0.00 177.43 177.29 3igs h LEU 58 N 0.73 0.78 -2.22 1.61 5.85 -0.85 -1.82 115.31 119.40 3igs h LEU 58 Ca 0.10 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3igs h LEU 58 Cb 0.76 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3igs h LEU 58 CO 0.06 0.78 0.00 0.54 -0.34 0.00 0.00 178.44 179.48 3igs n ARG 59 N -4.46 0.09 0.00 1.25 1.74 0.59 -0.90 116.66 114.97 3igs n ARG 59 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3igs n ARG 59 Cb 0.20 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.07 0.00 -1.84 0.55 -1.04 -0.68 -4.95 114.28 107.39 3igs n THR 61 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3igs n THR 61 Cb 0.05 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 3igs n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3igs s ARG 62 N 0.00 4.15 0.00 -2.82 1.04 -0.08 -2.01 118.95 119.23 3igs s ARG 62 Ca 0.00 2.52 0.00 0.00 -1.04 0.00 0.00 55.73 57.21 3igs s ARG 62 Cb 0.00 -3.02 0.00 0.00 -2.04 0.00 0.00 34.95 29.89 3igs s ARG 62 CO 0.00 -0.55 0.00 0.43 -0.04 0.00 0.00 175.30 175.14 3igs n SER 63 N 1.62 0.00 -0.02 -2.89 7.64 -1.26 -4.69 113.62 114.01 3igs n SER 63 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 3igs n SER 63 Cb 0.39 -0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.30 3igs n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3igs h LEU 64 N 0.00 0.28-10.21 -3.43 3.38 -1.81 -3.46 115.31 100.07 3igs h LEU 64 Ca 0.00 -0.79 -0.49 0.00 0.09 0.00 0.00 57.88 56.68 3igs h LEU 64 Cb 0.00 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3igs h LEU 64 CO 0.00 1.65 -0.01 0.68 0.09 0.00 0.00 178.44 180.85 3igs s VAL 65 N -2.47 4.96 -0.03 1.22 -7.23 -0.95 -5.01 120.40 110.89 3igs s VAL 65 Ca -0.23 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 3igs s VAL 65 Cb 0.05 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.09 3igs s VAL 65 CO 0.72 -0.61 0.11 -1.20 -0.31 0.00 0.00 175.10 173.81 3igs n SER 66 N -1.68 3.47 -4.77 4.85 7.64 -1.26 -4.91 113.62 116.96 3igs n SER 66 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 3igs n SER 66 Cb 0.55 1.11 0.07 0.00 -1.01 0.00 0.00 64.21 64.92 3igs n SER 66 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3igs s VAL 67 N -2.37 3.31 0.37 0.44 -7.23 -1.26 -4.95 120.40 108.71 3igs s VAL 67 Ca -0.03 0.52 -0.28 0.00 -1.81 0.00 0.00 61.98 60.38 3igs s VAL 67 Cb 0.04 -3.02 -0.11 0.00 0.56 0.00 0.00 36.38 33.84 3igs s VAL 67 CO 0.27 -0.46 1.46 -2.65 -0.31 0.00 0.00 175.10 173.40 3igs n PRO 68 N -2.94 2.59 -3.80 4.82 -0.02 -1.26 -4.80 135.00 129.58 3igs n PRO 68 Ca 0.10 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 62.13 3igs n PRO 68 Cb 0.52 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3igs n PRO 68 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3igs s ILE 69 N -1.10 4.92 -0.41 4.25 1.01 -1.26 -2.10 121.20 126.50 3igs s ILE 69 Ca 0.54 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 61.00 3igs s ILE 69 Cb -0.49 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3igs s ILE 69 CO 0.63 0.38 0.69 -0.63 0.00 0.00 0.00 174.94 176.01 3igs s ILE 70 N 0.98 4.79 -0.11 2.92 1.01 0.50 -1.05 121.20 130.24 3igs s ILE 70 Ca 0.05 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 3igs s ILE 70 Cb -0.14 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3igs s ILE 70 CO 0.03 -0.54 0.08 -0.83 0.00 0.00 0.00 174.94 173.68 3igs s GLY 71 N 1.97 2.02 0.12 6.18 0.00 0.10 -0.79 107.32 116.91 3igs s GLY 71 Ca 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3igs s GLY 71 CO 0.19 -0.41 -0.01 -0.26 0.00 0.00 0.00 173.10 172.61 3igs s ILE 72 N -0.83 0.42 -0.10 0.90 -4.36 -0.68 -2.12 121.20 114.42 3igs s ILE 72 Ca 0.13 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3igs s ILE 72 Cb -0.12 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.75 3igs s ILE 72 CO 0.03 -0.68 -0.11 -0.63 0.24 0.00 0.00 174.94 173.78 3igs s ILE 73 N -3.82 1.21 -0.18 8.37 1.01 -1.26 -0.87 121.20 125.66 3igs s ILE 73 Ca 0.17 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3igs s ILE 73 Cb 0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3igs s ILE 73 CO -0.02 0.39 0.34 -0.54 0.00 0.00 0.00 174.94 175.11 3igs s LYS 74 N 1.27 4.23 0.02 2.79 1.02 -1.26 0.12 119.74 127.93 3igs s LYS 74 Ca -0.02 0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.17 3igs s LYS 74 Cb -0.14 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 3igs s LYS 74 CO -0.04 0.11 -0.17 1.03 -0.92 0.00 0.00 175.35 175.36 3igs s ARG 75 N 0.84 1.22 -0.43 1.68 0.52 -0.17 -5.00 118.95 117.61 3igs s ARG 75 Ca 0.18 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.49 3igs s ARG 75 Cb -0.14 -1.24 0.03 0.00 0.52 0.00 0.00 34.95 34.12 3igs s ARG 75 CO 0.06 0.32 0.35 -0.51 0.02 0.00 0.00 175.30 175.54 3igs s ASP 76 N -0.86 6.13 -0.08 0.23 1.01 -1.26 -4.24 116.67 117.59 3igs s ASP 76 Ca 0.05 -0.98 -0.05 0.00 0.71 0.00 0.00 52.55 52.28 3igs s ASP 76 Cb -0.08 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3igs s ASP 76 CO 0.01 -0.53 0.13 -0.76 0.21 0.00 0.00 175.17 174.24 3igs s LEU 77 N 1.75 4.28 0.30 1.23 1.43 -1.26 -5.00 118.68 121.41 3igs s LEU 77 Ca 0.06 0.39 0.13 0.00 -1.03 0.00 0.00 54.13 53.67 3igs s LEU 77 Cb -0.20 -2.20 0.45 0.00 0.03 0.00 0.00 46.19 44.28 3igs s LEU 77 CO 0.10 0.36 1.65 0.44 0.23 0.00 0.00 176.35 179.13 3igs h ASP 78 N 4.65 0.00 -0.11 2.29 3.32 -1.97 -3.32 116.42 121.28 3igs h ASP 78 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3igs h ASP 78 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3igs h ASP 78 CO 0.61 0.55 0.00 -1.84 -1.72 0.00 0.00 179.24 176.83 3igs n GLU 79 N -3.76 2.13 -3.53 3.56 0.00 -1.26 -4.95 120.64 112.83 3igs n GLU 79 Ca -0.01 -1.66 -0.14 0.00 0.00 0.00 0.00 57.16 55.35 3igs n GLU 79 Cb 0.58 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 30.50 3igs n GLU 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3igs s SER 80 N -1.85 -0.52 0.00 -1.84 0.15 -1.25 -4.71 113.70 103.67 3igs s SER 80 Ca 0.33 0.47 0.29 0.00 0.70 0.00 0.00 55.95 57.74 3igs s SER 80 Cb 0.20 0.45 1.18 0.00 -1.71 0.00 0.00 66.02 66.14 3igs s SER 80 CO 0.31 -0.55 1.85 -0.81 1.20 0.00 0.00 173.24 175.23 3igs n PRO 81 N 0.62 0.38 -2.14 5.44 -0.04 -1.26 -4.26 135.00 133.73 3igs n PRO 81 Ca -0.15 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.79 3igs n PRO 81 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.69 3.00 -0.01 0.52 1.01 -1.26 -4.93 120.40 116.04 3igs s VAL 82 Ca 0.23 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.05 3igs s VAL 82 Cb 0.19 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3igs s VAL 82 CO 0.52 0.13 -0.00 0.54 0.00 0.00 0.00 175.10 176.29 3igs n ARG 83 N 2.45 2.93 -2.76 2.72 1.74 -1.26 -4.50 116.66 117.98 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 0.42 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 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 -2.02 4.37 -1.05 0.55 1.01 -1.26 -1.00 121.20 121.80 3igs s ILE 84 Ca -0.01 0.77 -0.16 0.00 0.00 0.00 0.00 60.65 61.26 3igs s ILE 84 Cb 0.00 -4.51 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 3igs s ILE 84 CO 0.03 -0.95 0.77 0.41 0.00 0.00 0.00 174.94 175.19 3igs n THR 85 N 6.49 -6.15 0.49 2.92 -1.04 0.12 -1.57 114.28 115.53 3igs n THR 85 Ca 0.07 -0.78 0.13 0.00 -2.04 0.00 0.00 64.05 61.42 3igs n THR 85 Cb 0.48 -4.54 0.35 0.00 -1.82 0.00 0.00 70.33 64.81 3igs n THR 85 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3igs h PRO 86 N -1.42 0.00 -6.77 -2.82 0.13 -1.78 -3.42 132.00 115.92 3igs h PRO 86 Ca -0.58 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.87 3igs h PRO 86 Cb 1.32 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.26 3igs h PRO 86 CO 0.45 0.00 -0.82 -0.06 -0.23 0.00 0.00 178.00 177.34 3igs s PHE 87 N -3.16 2.47 0.38 1.56 0.08 -1.26 -4.27 117.98 113.79 3igs s PHE 87 Ca 0.09 -0.29 0.07 0.00 0.12 0.00 0.00 56.93 56.92 3igs s PHE 87 Cb 0.10 -1.32 0.82 0.00 -0.57 0.00 0.00 43.02 42.05 3igs s PHE 87 CO 0.60 0.38 1.98 -0.07 -0.10 0.00 0.00 175.22 178.01 3igs h LEU 88 N 3.76 0.57 -1.65 -0.37 3.38 -1.96 -0.87 115.31 118.17 3igs h LEU 88 Ca -0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3igs h LEU 88 Cb 1.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3igs h LEU 88 CO 0.44 0.38 -0.11 0.44 0.09 0.00 0.00 178.44 179.68 3igs h ASP 89 N 0.66 0.08 -0.20 -0.43 3.32 -1.99 -0.66 116.42 117.20 3igs h ASP 89 Ca 0.27 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3igs h ASP 89 Cb 0.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3igs h ASP 89 CO -0.08 0.20 -0.44 0.44 -1.72 0.00 0.00 179.24 177.64 3igs h ASP 90 N 0.08 0.73 -0.33 6.45 3.32 -1.56 -0.90 116.42 124.20 3igs h ASP 90 Ca 0.02 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.57 3igs h ASP 90 Cb 0.25 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 3igs h ASP 90 CO 0.02 1.16 -0.05 0.58 -1.72 0.00 0.00 179.24 179.22 3igs h VAL 91 N 0.33 0.70 -0.68 -1.35 2.07 -0.91 -0.73 116.25 115.68 3igs h VAL 91 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3igs h VAL 91 Cb 1.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3igs h VAL 91 CO 0.10 0.01 0.21 0.44 0.02 0.00 0.00 177.57 178.35 3igs h ASP 92 N 0.03 0.98 -0.54 0.57 3.32 -0.99 -1.27 116.42 118.51 3igs h ASP 92 Ca 0.16 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3igs h ASP 92 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3igs h ASP 92 CO -0.32 0.91 0.03 0.00 -1.72 0.00 0.00 179.24 178.14 3igs h ALA 93 N 1.22 0.73 -0.45 3.45 0.00 -0.84 -1.77 119.26 121.59 3igs h ALA 93 Ca 0.22 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3igs h ALA 93 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3igs h ALA 93 CO -0.01 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.60 3igs h LEU 94 N 0.82 0.80 -0.18 0.00 3.38 -0.85 -1.48 115.31 117.81 3igs h LEU 94 Ca 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3igs h LEU 94 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3igs h LEU 94 CO 0.02 0.93 0.09 0.00 0.09 0.00 0.00 178.44 179.58 3igs h ALA 95 N 1.15 0.23 -0.58 1.53 0.00 -1.06 -2.06 119.26 118.47 3igs h ALA 95 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3igs h ALA 95 Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3igs h ALA 95 CO 0.04 -0.23 0.38 0.37 0.00 0.00 0.00 179.25 179.81 3igs h GLN 96 N 0.17 0.76 -0.08 0.00 4.15 -1.14 -2.74 115.11 116.25 3igs h GLN 96 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3igs h GLN 96 Cb 0.09 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3igs h GLN 96 CO -0.01 0.51 0.00 0.00 -1.93 0.00 0.00 178.83 177.40 3igs n ALA 97 N -2.45 2.57 0.00 3.38 0.00 -0.57 -4.93 120.51 118.51 3igs n ALA 97 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3igs n ALA 97 Cb 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.08 1.22 3.77 0.00 0.00 -0.97 -4.56 105.19 105.73 3igs n GLY 98 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 3.44 -0.04 4.61 0.00 -0.81 -4.78 121.76 122.18 3igs s ALA 99 Ca 0.00 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.23 3igs s ALA 99 Cb 0.00 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 3igs s ALA 99 CO 0.00 -0.58 0.69 0.00 0.00 0.00 0.00 175.76 175.87 3igs h ALA 100 N 3.33 0.67 -3.78 0.00 0.00 -1.44 -3.45 119.26 114.59 3igs h ALA 100 Ca -0.49 -1.40 -0.49 0.00 0.00 0.00 0.00 54.91 52.53 3igs h ALA 100 Cb 1.23 0.46 -0.31 0.00 0.00 0.00 0.00 17.79 19.16 3igs h ALA 100 CO 0.65 1.51 -0.81 0.42 0.00 0.00 0.00 179.25 181.02 3igs s ILE 101 N -2.60 1.08 -0.14 0.00 1.01 -0.87 -2.50 121.20 117.17 3igs s ILE 101 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3igs s ILE 101 Cb 0.08 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 3igs s ILE 101 CO 0.82 0.33 -0.15 -0.63 0.00 0.00 0.00 174.94 175.31 3igs s ILE 102 N 0.22 2.78 -0.11 2.92 1.01 -0.65 -0.73 121.20 126.65 3igs s ILE 102 Ca -0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3igs s ILE 102 Cb -0.11 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3igs s ILE 102 CO 0.02 0.52 0.08 0.00 0.00 0.00 0.00 174.94 175.56 3igs s ALA 103 N 0.58 3.61 0.07 9.38 0.00 -0.90 -4.50 121.76 130.00 3igs s ALA 103 Ca -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3igs s ALA 103 Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3igs s ALA 103 CO 0.03 0.59 -0.14 0.14 0.00 0.00 0.00 175.76 176.39 3igs s VAL 104 N -0.93 1.11 0.18 0.00 -7.23 -1.26 -4.53 120.40 107.73 3igs s VAL 104 Ca 0.14 -1.26 -0.32 0.00 -1.81 0.00 0.00 61.98 58.73 3igs s VAL 104 Cb -0.12 -1.06 -0.12 0.00 0.56 0.00 0.00 36.38 35.65 3igs s VAL 104 CO 0.03 -0.19 1.73 -0.67 -0.31 0.00 0.00 175.10 175.69 3igs n ASP 105 N 1.37 3.88 -0.78 4.85 -0.08 -0.61 -0.37 116.55 124.81 3igs n ASP 105 Ca -0.21 1.04 0.07 0.00 -1.51 0.00 0.00 54.79 54.19 3igs n ASP 105 Cb 0.54 -1.54 0.20 0.00 2.34 0.00 0.00 41.12 42.66 3igs n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3igs n GLY 106 N 3.96 3.28 3.80 0.27 0.00 0.24 -4.76 105.19 111.99 3igs n GLY 106 Ca 0.17 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.78 2.76 -0.41 2.61 -4.23 -1.26 -4.79 115.64 108.55 3igs s THR 107 Ca 0.32 0.25 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 3igs s THR 107 Cb 0.22 -2.99 0.69 0.00 1.34 0.00 0.00 72.50 71.76 3igs s THR 107 CO 0.13 -0.32 1.88 0.00 -0.54 0.00 0.00 174.62 175.77 3igs n ALA 108 N -3.53 5.27 -1.80 3.99 0.00 -1.26 -4.92 120.51 118.26 3igs n ALA 108 Ca 0.07 -2.73 -0.31 0.00 0.00 0.00 0.00 53.44 50.47 3igs n ALA 108 Cb 0.57 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.21 3.39 0.17 0.00 0.52 -1.26 -4.97 118.95 113.59 3igs s ARG 109 Ca 0.56 0.77 -0.34 0.00 -0.52 0.00 0.00 55.73 56.21 3igs s ARG 109 Cb 0.47 -2.05 -0.14 0.00 0.52 0.00 0.00 34.95 33.74 3igs s ARG 109 CO 0.12 -0.73 1.54 0.94 0.02 0.00 0.00 175.30 177.19 3igs n GLN 110 N -2.86 2.08 -3.59 3.54 -0.06 -1.26 -4.95 117.38 110.29 3igs n GLN 110 Ca 0.06 0.75 -0.16 0.00 -2.00 0.00 0.00 57.00 55.65 3igs n GLN 110 Cb 0.54 -2.50 -0.07 0.00 -4.06 0.00 0.00 30.24 24.16 3igs n GLN 110 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 3igs s ARG 111 N 0.72 0.96 0.24 3.69 1.70 -1.26 -4.21 118.95 120.78 3igs s ARG 111 Ca 0.78 0.09 0.05 0.00 -0.47 0.00 0.00 55.73 56.18 3igs s ARG 111 Cb -0.69 0.45 0.24 0.00 -0.57 0.00 0.00 34.95 34.38 3igs s ARG 111 CO 0.40 -0.30 1.55 -1.00 -1.08 0.00 0.00 175.30 174.87 3igs h PRO 112 N 3.19 0.20 -4.69 3.89 0.13 -1.88 -3.44 132.00 129.40 3igs h PRO 112 Ca -0.28 -0.14 -0.51 0.00 -0.87 0.00 0.00 66.00 64.20 3igs h PRO 112 Cb 1.16 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 31.99 3igs h PRO 112 CO 0.39 0.76 -0.81 0.08 -0.23 0.00 0.00 178.00 178.19 3igs s VAL 113 N -3.68 1.12 0.51 1.56 1.01 -1.26 -5.13 120.40 114.53 3igs s VAL 113 Ca -0.03 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 3igs s VAL 113 Cb 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 3igs s VAL 113 CO 0.79 0.34 1.27 0.00 0.00 0.00 0.00 175.10 177.50 3igs s ALA 114 N 0.46 2.87 0.24 5.51 0.00 -1.26 -4.89 121.76 124.69 3igs s ALA 114 Ca -0.10 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 3igs s ALA 114 Cb -0.14 -3.48 0.38 0.00 0.00 0.00 0.00 23.12 19.88 3igs s ALA 114 CO 0.03 -1.05 1.82 0.28 0.00 0.00 0.00 175.76 176.84 3igs h VAL 115 N 1.59 0.95 -0.65 0.00 2.07 -1.91 -2.09 116.25 116.21 3igs h VAL 115 Ca -0.50 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 66.81 3igs h VAL 115 Cb 1.28 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3igs h VAL 115 CO 0.58 0.15 0.32 -0.08 0.02 0.00 0.00 177.57 178.56 3igs h GLU 116 N 0.84 0.55 -0.68 1.57 4.81 -1.98 -0.67 114.58 119.02 3igs h GLU 116 Ca 0.39 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.51 3igs h GLU 116 Cb 0.31 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3igs h GLU 116 CO -0.23 0.36 0.12 0.00 -0.73 0.00 0.00 179.01 178.54 3igs h ALA 117 N 1.38 0.92 -0.20 2.92 0.00 -1.77 -1.80 119.26 120.71 3igs h ALA 117 Ca 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3igs h ALA 117 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3igs h ALA 117 CO -0.24 0.67 0.06 -0.07 0.00 0.00 0.00 179.25 179.68 3igs h LEU 118 N 1.04 0.28 -0.47 0.00 3.38 -0.87 -1.93 115.31 116.76 3igs h LEU 118 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3igs h LEU 118 Cb 0.43 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3igs h LEU 118 CO 0.01 0.41 0.22 -0.07 0.09 0.00 0.00 178.44 179.10 3igs h LEU 119 N 0.15 0.62 -1.03 1.67 3.38 -1.08 -2.07 115.31 116.95 3igs h LEU 119 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3igs h LEU 119 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3igs h LEU 119 CO -0.00 0.58 0.56 0.00 0.09 0.00 0.00 178.44 179.66 3igs h ALA 120 N 1.06 1.28 -0.54 1.53 0.00 -1.26 -1.53 119.26 119.81 3igs h ALA 120 Ca 0.16 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3igs h ALA 120 Cb 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3igs h ALA 120 CO -0.02 0.63 -0.07 -0.09 0.00 0.00 0.00 179.25 179.70 3igs h ARG 121 N 1.24 0.98 -0.54 0.00 9.65 -0.91 0.67 114.38 125.48 3igs h ARG 121 Ca 0.33 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3igs h ARG 121 Cb -0.07 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 3igs h ARG 121 CO -0.06 1.01 0.31 0.82 2.80 0.00 0.00 179.97 184.85 3igs h ILE 122 N 0.89 1.17 -0.29 1.20 2.04 -1.05 -2.40 117.51 119.07 3igs h ILE 122 Ca 0.15 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 3igs h ILE 122 Cb 0.62 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3igs h ILE 122 CO 0.04 0.18 -0.03 0.45 0.00 0.00 0.00 178.15 178.80 3igs h HIS 123 N 0.73 0.46 -0.60 1.37 3.86 -0.95 -2.03 115.15 117.98 3igs h HIS 123 Ca 0.19 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 3igs h HIS 123 Cb 0.02 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3igs h HIS 123 CO -0.02 0.48 0.40 1.25 0.86 0.00 0.00 177.93 180.90 3igs h HIS 124 N 0.43 0.48 -0.04 2.45 -0.00 -0.36 0.21 115.15 118.31 3igs h HIS 124 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3igs h HIS 124 Cb 0.33 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3igs h HIS 124 CO 0.01 0.24 0.00 0.72 -0.00 0.00 0.00 177.93 178.90 3igs n HIS 125 N -4.47 0.05 -2.91 5.26 8.25 -0.78 -4.91 115.22 115.71 3igs n HIS 125 Ca 0.09 -0.03 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 3igs n HIS 125 Cb 0.33 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.48 3igs n HIS 125 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3igs n HIS 126 N -0.46 -1.65 -4.12 4.41 8.25 0.73 -5.01 115.22 117.35 3igs n HIS 126 Ca 0.17 0.46 -0.24 0.00 -0.26 0.00 0.00 57.72 57.85 3igs n HIS 126 Cb 0.17 -3.87 -0.07 0.00 1.12 0.00 0.00 29.99 27.33 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 -5.52 3.17 0.23 2.41 1.43 -1.12 -5.05 118.68 114.23 3igs s LEU 127 Ca 0.26 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 3igs s LEU 127 Cb -0.12 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 3igs s LEU 127 CO 0.33 -0.38 0.77 -0.76 0.23 0.00 0.00 176.35 176.53 3igs s LEU 128 N -3.86 4.37 0.00 1.79 1.43 -1.04 -4.30 118.68 117.07 3igs s LEU 128 Ca 0.39 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 3igs s LEU 128 Cb -0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3igs s LEU 128 CO 0.22 0.04 0.13 0.35 0.23 0.00 0.00 176.35 177.32 3igs n THR 129 N 0.80 0.00 -3.62 5.49 -2.24 -1.26 -1.63 114.28 111.82 3igs n THR 129 Ca -0.02 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 3igs n THR 129 Cb 0.51 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.18 -2.09 -0.61 6.98 0.00 -0.22 -1.52 121.76 122.11 3igs s ALA 131 Ca 0.10 2.32 -0.24 0.00 0.00 0.00 0.00 51.96 54.14 3igs s ALA 131 Cb -0.01 -1.81 0.05 0.00 0.00 0.00 0.00 23.12 21.36 3igs s ALA 131 CO 0.06 -0.94 0.99 -0.51 0.00 0.00 0.00 175.76 175.36 3igs s ASP 132 N 2.88 6.26 0.47 0.00 1.01 0.50 -0.29 116.67 127.50 3igs s ASP 132 Ca -0.05 -0.60 0.06 0.00 0.71 0.00 0.00 52.55 52.67 3igs s ASP 132 Cb -0.12 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3igs s ASP 132 CO -0.19 -1.38 0.21 0.00 0.21 0.00 0.00 175.17 174.02 3igs n SER 134 N -1.39 0.86 -3.91 0.00 3.41 -1.26 -2.79 113.62 108.53 3igs n SER 134 Ca -0.04 -0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.41 3igs n SER 134 Cb 0.65 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.48 -0.12 0.17 4.04 1.04 -1.26 -4.38 113.70 112.72 3igs s SER 135 Ca 0.00 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.50 3igs s SER 135 Cb 0.00 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.77 3igs s SER 135 CO 0.00 -1.08 1.77 0.58 0.98 0.00 0.00 173.24 175.50 3igs h VAL 136 N 2.29 0.94 -0.27 5.02 2.07 -1.99 -0.68 116.25 123.63 3igs h VAL 136 Ca -0.28 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3igs h VAL 136 Cb 1.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3igs h VAL 136 CO 0.38 0.07 0.05 0.44 0.02 0.00 0.00 177.57 178.54 3igs h ASP 137 N 0.40 0.42 0.46 0.57 5.19 -1.99 -0.69 116.42 120.78 3igs h ASP 137 Ca 0.19 -0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.21 3igs h ASP 137 Cb 0.12 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3igs h ASP 137 CO -0.15 0.56 -0.64 -2.24 -3.12 0.00 0.00 179.24 173.64 3igs h ASP 138 N 0.26 0.20 -0.25 6.45 3.04 -1.88 -1.16 116.42 123.09 3igs h ASP 138 Ca 0.08 -0.12 -0.04 0.00 -3.24 0.00 0.00 57.03 53.71 3igs h ASP 138 Cb 0.31 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 38.53 3igs h ASP 138 CO 0.00 0.79 -0.00 1.23 -2.04 0.00 0.00 179.24 179.22 3igs h GLY 139 N 1.63 0.48 1.39 7.15 0.00 -1.01 -1.81 103.07 110.88 3igs h GLY 139 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3igs h GLY 139 CO 0.10 0.32 -0.23 1.41 0.00 0.00 0.00 176.54 178.14 3igs h LEU 140 N 0.22 0.72 -0.97 3.11 3.38 -1.09 -0.54 115.31 120.14 3igs h LEU 140 Ca 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3igs h LEU 140 Cb 0.41 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3igs h LEU 140 CO 0.01 0.93 0.47 0.00 0.09 0.00 0.00 178.44 179.95 3igs h ALA 141 N 1.13 1.21 -0.19 1.53 0.00 -1.10 -0.36 119.26 121.47 3igs h ALA 141 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3igs h ALA 141 Cb 0.72 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3igs h ALA 141 CO 0.06 0.64 -0.58 0.00 0.00 0.00 0.00 179.25 179.36 3igs h GLN 143 N 0.47 0.64 -0.25 0.00 5.75 -0.78 -1.94 115.11 119.01 3igs h GLN 143 Ca 0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3igs h GLN 143 Cb 1.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3igs h GLN 143 CO 0.11 0.42 0.00 0.00 -2.65 0.00 0.00 178.83 176.72 3igs h ARG 144 N 0.66 0.37 0.00 1.69 3.08 -0.85 -0.75 114.38 118.58 3igs h ARG 144 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3igs h ARG 144 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3igs h ARG 144 CO -0.10 0.40 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 3igs n LEU 145 N -4.34 0.37 0.00 3.04 4.77 -0.85 -4.89 117.00 115.10 3igs n LEU 145 Ca 0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3igs n LEU 145 Cb 0.20 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3igs n LEU 145 CO 0.37 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3igs n GLY 146 N 0.33 1.08 3.72 -0.72 0.00 -0.29 -5.00 105.19 104.32 3igs n GLY 146 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.81 2.06 -0.07 4.61 0.00 -0.78 -4.90 120.51 119.62 3igs n ALA 147 Ca 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 3igs n ALA 147 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 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 4.65 0.94 -3.92 0.00 3.32 -1.83 -3.45 116.42 116.14 3igs h ASP 148 Ca -0.46 -0.50 -0.43 0.00 0.02 0.00 0.00 57.03 55.66 3igs h ASP 148 Cb 1.24 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 3igs h ASP 148 CO 0.79 1.29 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.18 3igs s ILE 149 N -4.13 0.82 -0.24 0.35 1.01 -0.58 -4.51 121.20 113.92 3igs s ILE 149 Ca -0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3igs s ILE 149 Cb 0.10 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 3igs s ILE 149 CO 0.89 0.25 -0.00 -0.63 0.00 0.00 0.00 174.94 175.44 3igs s ILE 150 N 0.02 3.60 0.23 2.92 -1.09 -0.18 -1.05 121.20 125.65 3igs s ILE 150 Ca -0.00 -0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 3igs s ILE 150 Cb -0.07 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 3igs s ILE 150 CO 0.00 0.33 0.47 -0.83 -1.23 0.00 0.00 174.94 173.68 3igs s GLY 151 N 1.49 1.93 -0.12 6.18 0.00 0.61 -1.15 107.32 116.26 3igs s GLY 151 Ca 0.05 -0.63 0.15 0.00 0.00 0.00 0.00 44.72 44.29 3igs s GLY 151 CO -0.01 -0.54 1.50 -1.30 0.00 0.00 0.00 173.10 172.75 3igs n THR 152 N -0.63 1.68 0.00 0.90 -2.24 -0.86 -0.71 114.28 112.42 3igs n THR 152 Ca -0.03 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3igs n THR 152 Cb 0.53 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.84 0.00 -1.82 4.28 -1.04 -1.11 -4.67 114.28 110.76 3igs n THR 153 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3igs n THR 153 Cb 0.82 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.19 -5.36 0.00 8.00 2.88 -1.12 -4.76 113.62 113.45 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 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 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 1.27 0.11 0.11 0.46 0.00 -1.26 -4.89 105.19 100.99 3igs n GLY 156 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.99 0.05 1.30 1.61 4.01 -1.26 -4.12 117.16 116.76 3igs n TYR 157 Ca 0.00 -0.28 0.13 0.00 -0.16 0.00 0.00 57.90 57.59 3igs n TYR 157 Cb 0.00 -0.03 0.40 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.11 0.00 -4.41 -0.72 -2.24 -1.26 -4.92 114.28 100.61 3igs n THR 158 Ca 0.02 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 3igs n THR 158 Cb 0.18 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 3igs n THR 158 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3igs n THR 159 N -0.41 0.00 0.24 4.28 -2.24 -1.26 -5.05 114.28 109.84 3igs n THR 159 Ca 0.14 -2.30 0.13 0.00 -2.27 0.00 0.00 64.05 59.75 3igs n THR 159 Cb 0.35 0.93 0.49 0.00 -2.10 0.00 0.00 70.33 70.00 3igs n THR 159 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3igs h PRO 160 N 0.00 0.00 -5.14 -0.78 0.13 -1.91 -3.43 132.00 120.87 3igs h PRO 160 Ca -0.28 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 3igs h PRO 160 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 3igs h PRO 160 CO 0.43 0.11 -0.54 -0.51 -0.23 0.00 0.00 178.00 177.26 3igs s ASP 161 N -5.99 5.81 -0.17 1.44 1.11 -1.26 -5.08 116.67 112.51 3igs s ASP 161 Ca 0.02 0.06 -0.01 0.00 0.18 0.00 0.00 52.55 52.80 3igs s ASP 161 Cb 0.09 -2.03 -0.00 0.00 1.07 0.00 0.00 42.92 42.04 3igs s ASP 161 CO 0.61 0.09 -0.12 -0.89 1.18 0.00 0.00 175.17 176.03 3igs s THR 162 N 0.89 2.87 0.78 -1.27 2.01 -1.26 -4.76 115.64 114.90 3igs s THR 162 Ca 0.06 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 3igs s THR 162 Cb -0.13 -2.24 0.07 0.00 0.01 0.00 0.00 72.50 70.20 3igs s THR 162 CO 0.03 0.49 1.17 -2.84 -0.69 0.00 0.00 174.62 172.78 3igs s PRO 163 N 1.00 1.91 0.07 4.92 0.02 -1.26 -4.94 135.00 136.71 3igs s PRO 163 Ca -0.01 1.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.45 3igs s PRO 163 Cb -0.15 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3igs s PRO 163 CO -0.02 -1.98 1.34 0.93 -0.33 0.00 0.00 177.00 176.94 3igs h GLU 164 N -0.77 0.55 -6.71 5.54 3.07 -2.01 -3.45 114.58 110.81 3igs h GLU 164 Ca -0.46 -0.34 -0.50 0.00 -0.50 0.00 0.00 59.36 57.57 3igs h GLU 164 Cb 1.28 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 3igs h GLU 164 CO 0.48 0.94 0.20 -1.83 -1.40 0.00 0.00 179.01 177.40 3igs s GLU 165 N -4.14 4.37 0.94 2.33 1.03 -1.26 -4.97 118.70 117.00 3igs s GLU 165 Ca -0.13 1.04 -0.11 0.00 0.03 0.00 0.00 54.97 55.80 3igs s GLU 165 Cb 0.07 -2.81 0.16 0.00 -0.80 0.00 0.00 34.13 30.74 3igs s GLU 165 CO 0.81 0.33 1.10 -1.25 -1.33 0.00 0.00 175.26 174.92 3igs s PRO 166 N -2.07 0.82 -1.07 -4.83 0.04 -1.26 -4.90 135.00 121.72 3igs s PRO 166 Ca 0.47 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 3igs s PRO 166 Cb -0.17 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.78 3igs s PRO 166 CO 0.22 -2.64 1.31 0.34 0.04 0.00 0.00 177.00 176.26 3igs s ASP 167 N -2.92 6.82 0.07 6.66 -1.08 -1.26 -4.82 116.67 120.13 3igs s ASP 167 Ca 0.65 -2.43 -0.16 0.00 -0.52 0.00 0.00 52.55 50.09 3igs s ASP 167 Cb -0.21 -2.42 -0.15 0.00 -1.46 0.00 0.00 42.92 38.68 3igs s ASP 167 CO 0.59 -0.96 1.30 -0.07 0.52 0.00 0.00 175.17 176.55 3igs h LEU 168 N 10.37 0.69 -1.40 -1.34 3.38 -1.97 -3.25 115.31 121.79 3igs h LEU 168 Ca 0.24 -0.58 0.07 0.00 0.09 0.00 0.00 57.88 57.70 3igs h LEU 168 Cb 0.95 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3igs h LEU 168 CO 1.20 1.16 0.47 -0.65 0.09 0.00 0.00 178.44 180.71 3igs h PRO 169 N 0.27 0.70 -0.90 1.13 0.11 -2.00 -1.64 132.00 129.66 3igs h PRO 169 Ca -0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3igs h PRO 169 Cb 1.08 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3igs h PRO 169 CO 0.10 0.46 0.53 1.25 -0.21 0.00 0.00 178.00 180.13 3igs h LEU 170 N 0.72 1.09 -0.25 2.35 5.85 -1.97 0.16 115.31 123.26 3igs h LEU 170 Ca 0.31 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3igs h LEU 170 Cb 0.29 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3igs h LEU 170 CO -0.10 0.85 0.02 0.58 -0.34 0.00 0.00 178.44 179.45 3igs h VAL 171 N 1.25 0.85 -0.30 1.05 2.07 -1.35 -0.77 116.25 119.05 3igs h VAL 171 Ca 0.32 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.74 3igs h VAL 171 Cb -0.03 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3igs h VAL 171 CO -0.06 0.02 -0.07 0.50 0.02 0.00 0.00 177.57 177.99 3igs h LYS 172 N 0.11 0.58 -0.35 1.57 3.64 -1.16 -0.23 116.57 120.72 3igs h LYS 172 Ca 0.12 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3igs h LYS 172 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3igs h LYS 172 CO -0.18 0.77 0.22 0.00 -2.27 0.00 0.00 179.45 177.99 3igs h ALA 173 N 0.80 0.45 -0.50 5.00 0.00 -0.80 -0.23 119.26 123.98 3igs h ALA 173 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3igs h ALA 173 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3igs h ALA 173 CO 0.03 -0.06 0.01 -0.07 0.00 0.00 0.00 179.25 179.16 3igs h LEU 174 N 0.46 0.85 -0.56 0.00 3.38 -1.07 -2.27 115.31 116.10 3igs h LEU 174 Ca 0.13 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3igs h LEU 174 Cb -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3igs h LEU 174 CO -0.02 0.94 0.37 -0.74 0.09 0.00 0.00 178.44 179.07 3igs h HIS 175 N 0.73 0.69 0.00 1.13 2.76 -0.80 -1.45 115.15 118.22 3igs h HIS 175 Ca 0.14 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3igs h HIS 175 Cb 0.50 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3igs h HIS 175 CO 0.04 0.43 -0.29 -0.44 -1.30 0.00 0.00 177.93 176.36 3igs h ASP 176 N 0.74 0.00 0.00 3.26 3.32 -0.88 -1.10 116.42 121.76 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 -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3igs h ASP 176 CO -0.06 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 3igs n ALA 177 N -2.43 2.57 0.00 3.45 0.00 -0.87 -4.88 120.51 118.35 3igs n ALA 177 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3igs n ALA 177 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.76 0.79 3.80 0.00 0.00 -0.42 -5.08 105.19 105.05 3igs n GLY 178 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 3.22 -0.19 0.00 3.52 -1.26 -4.36 118.95 117.02 3igs s ARG 180 Ca 0.60 -0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 3igs s ARG 180 Cb -0.14 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.11 3igs s ARG 180 CO 0.18 -1.41 0.09 0.08 -0.81 0.00 0.00 175.30 173.44 3igs s VAL 181 N 3.37 5.03 -0.28 7.11 1.01 -1.26 -1.01 120.40 134.38 3igs s VAL 181 Ca 0.23 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3igs s VAL 181 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3igs s VAL 181 CO 0.15 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.17 3igs s ILE 182 N 0.43 4.48 0.04 2.22 1.01 -0.30 0.05 121.20 129.12 3igs s ILE 182 Ca 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3igs s ILE 182 Cb -0.12 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3igs s ILE 182 CO -0.00 0.22 1.09 0.00 0.00 0.00 0.00 174.94 176.25 3igs s ALA 183 N 1.62 3.28 -0.19 9.38 0.00 -0.60 -2.02 121.76 133.23 3igs s ALA 183 Ca 0.06 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3igs s ALA 183 Cb -0.16 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.64 3igs s ALA 183 CO 0.05 -0.32 0.47 -2.00 0.00 0.00 0.00 175.76 173.96 3igs s GLU 184 N 0.91 0.46 0.00 0.00 2.12 -1.26 -0.87 118.70 120.05 3igs s GLU 184 Ca 0.55 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.77 3igs s GLU 184 Cb -0.26 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.15 3igs s GLU 184 CO 0.29 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 3igs n GLY 185 N 4.30 2.55 2.22 -1.50 0.00 -1.26 -2.77 105.19 108.74 3igs n GLY 185 Ca -0.22 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.70 -1.92 1.61 1.74 -1.26 -4.46 116.66 111.67 3igs n ARG 186 Ca 0.00 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3igs n ARG 186 Cb 0.00 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.84 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 -3.39 3.47 1.51 -1.55 4.01 -1.26 -4.21 117.16 115.74 3igs n TYR 187 Ca -0.10 -2.93 0.14 0.00 -0.16 0.00 0.00 57.90 54.84 3igs n TYR 187 Cb 0.45 -2.42 0.59 0.00 -0.31 0.00 0.00 39.34 37.65 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 5.69 0.88 -4.13 7.72 3.02 -1.26 -4.74 115.26 122.44 3igs n ASN 188 Ca 0.49 -1.05 -0.13 0.00 -0.03 0.00 0.00 54.58 53.86 3igs n ASN 188 Cb 0.39 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.22 1.17 0.29 6.41 1.04 -1.26 -4.88 113.70 114.24 3igs s SER 189 Ca 0.35 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3igs s SER 189 Cb 0.21 0.03 0.58 0.00 0.10 0.00 0.00 66.02 66.94 3igs s SER 189 CO 0.41 -0.27 1.84 -0.65 0.98 0.00 0.00 173.24 175.55 3igs h PRO 190 N 3.84 0.94 -1.00 4.02 0.11 -2.00 -2.20 132.00 135.72 3igs h PRO 190 Ca -0.37 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.75 3igs h PRO 190 Cb 1.19 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.02 3igs h PRO 190 CO 0.50 0.62 0.65 0.00 -0.21 0.00 0.00 178.00 179.56 3igs h ALA 191 N 1.54 1.37 -0.37 -0.75 0.00 -1.97 0.09 119.26 119.17 3igs h ALA 191 Ca 0.49 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 3igs h ALA 191 Cb 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3igs h ALA 191 CO -0.26 0.47 -0.16 -0.07 0.00 0.00 0.00 179.25 179.23 3igs h LEU 192 N 1.20 0.79 -0.67 0.00 3.38 -1.79 -1.55 115.31 116.67 3igs h LEU 192 Ca 0.42 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3igs h LEU 192 Cb 0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3igs h LEU 192 CO -0.16 1.01 0.39 0.00 0.09 0.00 0.00 178.44 179.77 3igs h ALA 193 N 0.80 0.89 -0.92 1.53 0.00 -0.90 -1.93 119.26 118.73 3igs h ALA 193 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3igs h ALA 193 Cb 0.70 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3igs h ALA 193 CO 0.05 0.10 0.55 0.00 0.00 0.00 0.00 179.25 179.95 3igs h ALA 194 N 1.33 1.24 -0.73 0.00 0.00 -0.79 -1.97 119.26 118.34 3igs h ALA 194 Ca 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3igs h ALA 194 Cb 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3igs h ALA 194 CO -0.16 0.65 0.48 0.93 0.00 0.00 0.00 179.25 181.15 3igs h GLU 195 N 1.27 0.97 -0.56 0.00 5.08 -0.55 -0.56 114.58 120.24 3igs h GLU 195 Ca 0.33 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3igs h GLU 195 Cb -0.05 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3igs h GLU 195 CO -0.06 0.65 0.34 0.00 -1.00 0.00 0.00 179.01 178.93 3igs h ALA 196 N 1.53 0.71 -0.62 3.43 0.00 -0.74 -0.22 119.26 123.35 3igs h ALA 196 Ca 0.27 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3igs h ALA 196 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3igs h ALA 196 CO -0.06 0.19 0.39 0.82 0.00 0.00 0.00 179.25 180.59 3igs h ILE 197 N 0.75 1.10 -0.74 0.00 1.08 -1.05 0.05 117.51 118.69 3igs h ILE 197 Ca 0.20 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 3igs h ILE 197 Cb -0.02 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 33.93 3igs h ILE 197 CO -0.04 0.14 0.49 -0.09 -0.69 0.00 0.00 178.15 177.96 3igs h ARG 198 N 0.78 0.85 0.00 2.37 2.43 -0.39 -1.43 114.38 118.99 3igs h ARG 198 Ca 0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3igs h ARG 198 Cb -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3igs h ARG 198 CO -0.09 0.56 0.00 0.66 -1.51 0.00 0.00 179.97 179.60 3igs n TYR 199 N -4.46 0.23 0.00 2.20 0.53 -0.16 -4.90 117.16 110.59 3igs n TYR 199 Ca 0.10 0.07 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 3igs n TYR 199 Cb 0.15 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 37.84 3igs n TYR 199 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3igs n GLY 200 N 1.00 1.15 3.78 2.72 0.00 -0.54 -3.88 105.19 109.41 3igs n GLY 200 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.58 0.03 4.61 0.00 -0.05 -4.73 121.76 123.20 3igs s ALA 201 Ca 0.00 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 3igs s ALA 201 Cb 0.00 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.33 3igs s ALA 201 CO 0.00 -1.03 1.21 2.35 0.00 0.00 0.00 175.76 178.29 3igs h TRP 202 N 3.14 0.61 -3.74 0.00 7.01 -0.72 -3.42 115.95 118.84 3igs h TRP 202 Ca -0.51 -0.27 -0.08 0.00 2.11 0.00 0.00 58.89 60.15 3igs h TRP 202 Cb 1.24 -0.09 -0.10 0.00 -2.10 0.00 0.00 29.16 28.10 3igs h TRP 202 CO 0.54 1.03 -0.18 0.00 -2.79 0.00 0.00 178.44 177.04 3igs s ALA 203 N -3.66 -0.14 -0.09 2.65 0.00 -1.19 -4.92 121.76 114.42 3igs s ALA 203 Ca -0.13 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3igs s ALA 203 Cb 0.05 1.06 0.02 0.00 0.00 0.00 0.00 23.12 24.24 3igs s ALA 203 CO 0.81 -0.80 -0.11 0.08 0.00 0.00 0.00 175.76 175.73 3igs s VAL 204 N -4.01 1.18 -0.18 0.00 1.01 -0.45 -1.56 120.40 116.37 3igs s VAL 204 Ca 0.22 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3igs s VAL 204 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3igs s VAL 204 CO 0.07 0.38 0.20 -0.89 0.00 0.00 0.00 175.10 174.86 3igs s THR 205 N 1.03 5.37 -0.08 3.92 2.01 -0.05 -0.79 115.64 127.05 3igs s THR 205 Ca -0.07 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.30 3igs s THR 205 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3igs s THR 205 CO -0.01 0.42 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 3igs s VAL 206 N 0.40 1.72 0.00 3.82 1.01 -0.15 -4.22 120.40 122.97 3igs s VAL 206 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3igs s VAL 206 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3igs s VAL 206 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3igs n GLY 207 N 3.55 0.17 0.27 4.51 0.00 -1.26 -1.05 105.19 111.38 3igs n GLY 207 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 0.11 0.40 1.61 0.02 -1.91 0.16 113.55 113.93 3igs h SER 208 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3igs h SER 208 Cb 0.00 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3igs h SER 208 CO 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 3igs n ALA 209 N -2.60 1.69 -0.03 3.77 0.00 -1.26 -2.00 120.51 120.09 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 0.44 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.42 0.29 -0.17 0.00 5.41 -0.22 -4.91 119.36 118.33 3igs n ILE 210 Ca 0.04 -0.09 0.03 0.00 1.00 0.00 0.00 62.75 63.73 3igs n ILE 210 Cb 0.14 -1.27 0.06 0.00 -0.71 0.00 0.00 39.64 37.86 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 -3.04 1.12 -3.89 1.39 -2.24 0.39 -4.77 114.28 103.24 3igs n THR 211 Ca -0.10 -1.14 -0.30 0.00 -2.27 0.00 0.00 64.05 60.24 3igs n THR 211 Cb 0.58 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.23 2.40 0.21 -0.78 0.52 -0.85 -4.06 118.95 115.18 3igs s ARG 212 Ca 0.10 -3.12 -0.09 0.00 -0.52 0.00 0.00 55.73 52.10 3igs s ARG 212 Cb 0.07 -3.45 0.30 0.00 0.52 0.00 0.00 34.95 32.39 3igs s ARG 212 CO 0.05 -1.23 1.71 1.25 0.02 0.00 0.00 175.30 177.10 3igs h LEU 213 N 5.81 0.05 -1.24 2.53 6.46 -1.86 -0.54 115.31 126.51 3igs h LEU 213 Ca 0.08 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 3igs h LEU 213 Cb 0.80 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3igs h LEU 213 CO 0.72 0.03 -0.17 -0.33 -0.62 0.00 0.00 178.44 178.08 3igs h GLU 214 N 0.29 0.32 -0.22 1.25 3.07 -1.94 -0.32 114.58 117.03 3igs h GLU 214 Ca 0.32 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3igs h GLU 214 Cb 0.47 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3igs h GLU 214 CO -0.39 0.48 -0.15 1.25 -1.40 0.00 0.00 179.01 178.80 3igs h HIS 215 N 0.29 0.57 -0.44 4.33 2.76 -1.47 -1.05 115.15 120.15 3igs h HIS 215 Ca 0.06 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.08 3igs h HIS 215 Cb 0.47 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3igs h HIS 215 CO 0.01 0.80 0.28 0.82 -1.30 0.00 0.00 177.93 178.54 3igs h ILE 216 N 0.18 1.09 -0.93 6.26 2.04 -0.98 -1.64 117.51 123.53 3igs h ILE 216 Ca 0.04 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3igs h ILE 216 Cb 0.67 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3igs h ILE 216 CO 0.04 0.10 0.62 0.00 0.00 0.00 0.00 178.15 178.91 3igs h GLY 218 N 1.20 1.10 0.84 0.00 0.00 -0.58 0.80 103.07 106.43 3igs h GLY 218 Ca 0.36 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 47.13 3igs h GLY 218 CO -0.10 0.55 0.22 1.49 0.00 0.00 0.00 176.54 178.71 3igs h TRP 219 N 0.97 0.42 -0.30 5.60 6.55 -0.45 -0.46 115.95 128.28 3igs h TRP 219 Ca 0.23 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.08 3igs h TRP 219 Cb 0.19 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 3igs h TRP 219 CO 0.01 0.23 0.16 1.88 -1.05 0.00 0.00 178.44 179.67 3igs h TYR 220 N 0.45 0.42 -0.71 0.49 -1.99 -0.80 -2.27 116.97 112.56 3igs h TYR 220 Ca 0.17 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.89 3igs h TYR 220 Cb 0.05 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3igs h TYR 220 CO -0.09 0.35 0.47 -0.91 -0.00 0.00 0.00 178.16 177.99 3igs h ASN 221 N 0.36 0.82 -0.53 3.88 2.35 -0.58 0.14 115.58 122.02 3igs h ASN 221 Ca 0.11 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3igs h ASN 221 Cb 0.08 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3igs h ASN 221 CO -0.02 0.60 0.31 0.44 -1.65 0.00 0.00 177.43 177.11 3igs h ASP 222 N 0.96 0.65 -0.42 5.81 3.32 -0.96 -0.28 116.42 125.50 3igs h ASP 222 Ca 0.26 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3igs h ASP 222 Cb -0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3igs h ASP 222 CO -0.06 0.53 -0.02 0.00 -1.72 0.00 0.00 179.24 177.97 3igs h ALA 223 N 1.15 0.57 -0.46 3.45 0.00 -0.90 -1.50 119.26 121.57 3igs h ALA 223 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3igs h ALA 223 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3igs h ALA 223 CO -0.03 0.38 0.24 -0.07 0.00 0.00 0.00 179.25 179.77 3igs h LEU 224 N 0.59 0.59 -0.44 0.00 3.38 -0.41 -1.75 115.31 117.28 3igs h LEU 224 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3igs h LEU 224 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3igs h LEU 224 CO 0.03 0.53 0.22 0.11 0.09 0.00 0.00 178.44 179.41 3igs h LYS 225 N 0.61 0.63 -0.63 1.13 1.57 -1.02 -2.86 116.57 116.00 3igs h LYS 225 Ca 0.16 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3igs h LYS 225 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3igs h LYS 225 CO -0.02 0.54 0.24 -0.22 -0.57 0.00 0.00 179.45 179.41 3igs h LYS 226 N 0.57 0.93 0.00 3.15 3.64 -1.08 -2.59 116.57 121.19 3igs h LYS 226 Ca 0.15 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3igs h LYS 226 Cb 0.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3igs h LYS 226 CO -0.02 0.77 -0.13 0.00 -2.27 0.00 0.00 179.45 177.80 3igs h ALA 227 N 1.35 1.02 -2.35 5.00 0.00 -1.19 -3.42 119.26 119.68 3igs h ALA 227 Ca 0.21 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.46 3igs h ALA 227 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3igs h ALA 227 CO -0.02 0.16 0.60 0.00 0.00 0.00 0.00 179.25 179.99 3igs s ALA 228 N -3.67 3.41 0.00 0.00 0.00 -0.98 -5.11 121.76 115.42 3igs s ALA 228 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3igs s ALA 228 Cb 0.10 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3igs s ALA 228 CO 0.60 -0.60 0.00 0.45 0.00 0.00 0.00 175.76 176.21