#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ige n GLY 3 N 0.00 -1.50 3.31 -0.02 0.00 -1.26 -4.58 105.19 101.14 3ige n GLY 3 Ca 0.00 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 3ige n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ige s TYR 4 N 0.00 1.73 -0.39 1.61 1.51 0.37 -1.44 117.35 120.74 3ige s TYR 4 Ca 0.00 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.50 3ige s TYR 4 Cb 0.00 -0.87 0.07 0.00 -0.11 0.00 0.00 41.96 41.05 3ige s TYR 4 CO 0.00 0.28 0.20 0.08 -1.11 0.00 0.00 175.55 175.00 3ige s VAL 5 N -2.04 3.89 -0.39 0.71 1.01 0.19 -2.42 120.40 121.35 3ige s VAL 5 Ca 0.14 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 3ige s VAL 5 Cb -0.06 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3ige s VAL 5 CO 0.06 -0.45 0.99 0.20 0.00 0.00 0.00 175.10 175.90 3ige s ASN 6 N 1.87 6.69 -0.16 3.32 0.01 -0.83 -1.91 114.94 123.93 3ige s ASN 6 Ca 0.02 0.58 -0.02 0.00 -0.71 0.00 0.00 52.86 52.73 3ige s ASN 6 Cb -0.22 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3ige s ASN 6 CO 0.01 -0.96 -0.07 -0.63 -1.51 0.00 0.00 177.10 173.94 3ige s ILE 7 N 3.72 3.46 -0.24 0.60 1.01 -0.32 -2.64 121.20 126.79 3ige s ILE 7 Ca 0.41 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3ige s ILE 7 Cb -0.11 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.92 3ige s ILE 7 CO 0.21 0.49 -0.07 -0.75 0.00 0.00 0.00 174.94 174.82 3ige s LYS 8 N 0.59 1.85 0.03 2.79 2.20 -0.86 -1.45 119.74 124.89 3ige s LYS 8 Ca -0.05 -1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 54.34 3ige s LYS 8 Cb -0.15 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 3ige s LYS 8 CO 0.03 -0.59 0.37 0.95 -0.36 0.00 0.00 175.35 175.75 3ige s THR 9 N 1.29 5.13 -0.10 3.43 -4.23 -0.38 -1.36 115.64 119.42 3ige s THR 9 Ca -0.07 0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 3ige s THR 9 Cb -0.19 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3ige s THR 9 CO -0.06 0.42 0.22 -0.36 -0.54 0.00 0.00 174.62 174.31 3ige s PHE 10 N -1.25 3.61 0.38 3.99 0.08 -0.22 -2.28 117.98 122.29 3ige s PHE 10 Ca 0.28 0.65 -0.28 0.00 0.12 0.00 0.00 56.93 57.70 3ige s PHE 10 Cb -0.15 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.12 3ige s PHE 10 CO 0.15 0.65 1.40 0.99 -0.10 0.00 0.00 175.22 178.31 3ige s THR 11 N -0.84 2.32 -0.04 0.64 2.01 -1.26 -4.51 115.64 113.96 3ige s THR 11 Ca 0.17 0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 3ige s THR 11 Cb -0.13 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.24 3ige s THR 11 CO 0.06 0.07 0.63 -1.38 -0.69 0.00 0.00 174.62 173.30 3ige s HIS 12 N -1.16 -0.59 0.36 4.92 -3.43 -1.02 -4.92 115.29 109.46 3ige s HIS 12 Ca 0.53 0.99 -0.28 0.00 -0.80 0.00 0.00 55.06 55.50 3ige s HIS 12 Cb -0.43 0.37 -0.11 0.00 -1.43 0.00 0.00 32.58 30.98 3ige s HIS 12 CO 0.57 -0.58 1.42 -2.14 -2.00 0.00 0.00 174.74 172.01 3ige s PRO 13 N -1.26 4.19 -0.41 -0.38 0.02 -1.26 -1.19 135.00 134.71 3ige s PRO 13 Ca -0.11 2.44 0.10 0.00 0.02 0.00 0.00 61.00 63.44 3ige s PRO 13 Cb -0.01 -3.00 0.32 0.00 0.02 0.00 0.00 34.50 31.84 3ige s PRO 13 CO 0.09 -0.41 0.71 0.00 -0.33 0.00 0.00 177.00 177.06 3ige n ALA 14 N 0.56 2.53 0.00 -1.55 0.00 -0.98 -4.81 120.51 116.27 3ige n ALA 14 Ca 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.82 3ige n ALA 14 Cb 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3ige n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ige n GLY 15 N 0.48 1.85 3.64 0.00 0.00 -1.26 -4.29 105.19 105.61 3ige n GLY 15 Ca 0.25 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3ige n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ige s GLU 16 N -4.72 3.84 0.00 1.61 2.12 -1.26 -0.70 118.70 119.59 3ige s GLU 16 Ca 0.00 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.75 3ige s GLU 16 Cb 0.00 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.17 3ige s GLU 16 CO 0.00 -1.29 0.00 0.41 -0.54 0.00 0.00 175.26 173.84 3ige n GLY 17 N 4.89 0.71 3.36 -1.50 0.00 -1.26 -5.06 105.19 106.33 3ige n GLY 17 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 3ige n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ige s LYS 18 N -0.90 1.44 0.16 1.61 1.02 0.12 -2.75 119.74 120.45 3ige s LYS 18 Ca 0.00 -1.76 -0.07 0.00 0.02 0.00 0.00 55.97 54.15 3ige s LYS 18 Cb 0.00 -0.62 0.03 0.00 -0.52 0.00 0.00 37.83 36.72 3ige s LYS 18 CO 0.00 -0.16 0.38 -0.85 -0.92 0.00 0.00 175.35 173.80 3ige n GLU 19 N -0.50 0.47 -3.71 1.68 0.28 0.12 -2.32 120.64 116.65 3ige n GLU 19 Ca -0.03 -0.94 -0.27 0.00 -0.16 0.00 0.00 57.16 55.75 3ige n GLU 19 Cb 0.65 1.19 -0.17 0.00 1.43 0.00 0.00 31.44 34.55 3ige n GLU 19 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3ige s VAL 20 N -2.54 0.41 0.10 3.84 1.01 -0.33 -0.08 120.40 122.81 3ige s VAL 20 Ca 0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3ige s VAL 20 Cb -0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 3ige s VAL 20 CO 0.05 -0.23 1.36 -0.54 0.00 0.00 0.00 175.10 175.74 3ige s LYS 21 N 1.91 4.33 1.07 2.72 1.02 -1.26 -2.43 119.74 127.10 3ige s LYS 21 Ca -0.00 2.02 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 3ige s LYS 21 Cb -0.17 -3.30 0.23 0.00 -0.52 0.00 0.00 37.83 34.08 3ige s LYS 21 CO -0.08 -0.43 1.06 0.20 -0.92 0.00 0.00 175.35 175.18 3ige s GLY 22 N 1.18 1.58 0.20 -3.33 0.00 -1.26 -4.83 107.32 100.85 3ige s GLY 22 Ca 0.64 -0.05 -0.13 0.00 0.00 0.00 0.00 44.72 45.17 3ige s GLY 22 CO 0.30 0.58 0.42 -3.16 0.00 0.00 0.00 173.10 171.24 3ige s MET 23 N -4.62 1.34 -0.18 2.90 0.23 -0.97 -4.90 119.30 113.09 3ige s MET 23 Ca 0.67 -1.07 -0.03 0.00 -1.03 0.00 0.00 55.69 54.24 3ige s MET 23 Cb -0.23 0.46 0.06 0.00 -1.53 0.00 0.00 34.83 33.58 3ige s MET 23 CO 0.62 -0.54 0.03 -1.21 -2.03 0.00 0.00 175.02 171.89 3ige s GLU 24 N -3.94 0.69 -0.00 3.16 2.02 -1.26 -1.25 118.70 118.11 3ige s GLU 24 Ca 0.15 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.77 3ige s GLU 24 Cb 0.01 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.23 3ige s GLU 24 CO 0.01 -0.60 -0.02 0.54 0.02 0.00 0.00 175.26 175.21 3ige s VAL 25 N 1.86 0.18 -0.26 2.63 0.11 -0.53 -4.17 120.40 120.21 3ige s VAL 25 Ca -0.00 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 3ige s VAL 25 Cb -0.17 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3ige s VAL 25 CO -0.08 0.06 0.14 -0.44 -3.33 0.00 0.00 175.10 171.45 3ige s SER 26 N 0.06 5.71 -0.16 3.54 0.01 -0.18 -1.17 113.70 121.50 3ige s SER 26 Ca -0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 3ige s SER 26 Cb -0.02 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 3ige s SER 26 CO -0.00 -0.02 -0.09 -0.69 0.41 0.00 0.00 173.24 172.85 3ige s VAL 27 N 1.56 3.25 0.09 3.43 1.01 -0.80 -1.39 120.40 127.54 3ige s VAL 27 Ca 0.07 -0.57 -0.35 0.00 0.00 0.00 0.00 61.98 61.12 3ige s VAL 27 Cb -0.15 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.67 3ige s VAL 27 CO 0.07 0.49 1.51 -2.65 0.00 0.00 0.00 175.10 174.52 3ige n PRO 28 N 3.94 1.68 -0.13 2.72 -0.02 -1.26 0.54 135.00 142.47 3ige n PRO 28 Ca -0.18 0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 3ige n PRO 28 Cb 0.52 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3ige n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ige h PHE 29 N 5.67 -0.76 -0.77 6.00 3.57 -1.49 -1.11 116.94 128.05 3ige h PHE 29 Ca -0.46 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.17 3ige h PHE 29 Cb 1.29 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 40.36 3ige h PHE 29 CO 0.64 -0.35 0.43 0.93 -2.23 0.00 0.00 178.31 177.73 3ige h GLU 30 N -0.20 0.72 -0.85 1.11 5.08 -1.89 0.44 114.58 118.99 3ige h GLU 30 Ca 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3ige h GLU 30 Cb 0.51 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3ige h GLU 30 CO -0.54 0.48 0.46 0.82 -1.00 0.00 0.00 179.01 179.23 3ige h ILE 31 N 0.74 1.25 -0.07 3.13 2.04 -1.66 -1.04 117.51 121.90 3ige h ILE 31 Ca 0.36 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3ige h ILE 31 Cb 0.31 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3ige h ILE 31 CO -0.23 0.28 -0.05 0.22 0.00 0.00 0.00 178.15 178.36 3ige h TYR 32 N 1.18 0.19 -0.21 1.37 3.20 0.21 -3.16 116.97 119.75 3ige h TYR 32 Ca 0.30 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 3ige h TYR 32 Cb 0.03 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3ige h TYR 32 CO 0.01 0.57 -0.30 0.66 -1.64 0.00 0.00 178.16 177.45 3ige h SER 33 N -0.24 0.44 -0.55 -2.11 4.64 -0.19 -2.87 113.55 112.67 3ige h SER 33 Ca 0.01 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ige h SER 33 Cb 0.53 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3ige h SER 33 CO 0.01 0.73 0.34 0.78 -0.87 0.00 0.00 176.83 177.82 3ige h ASN 34 N 0.37 0.67 -2.84 4.97 2.35 -1.22 -3.44 115.58 116.45 3ige h ASN 34 Ca 0.05 -0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3ige h ASN 34 Cb 0.72 -0.17 -0.25 0.00 0.05 0.00 0.00 38.32 38.68 3ige h ASN 34 CO 0.06 0.51 0.29 -0.70 -1.65 0.00 0.00 177.43 175.94 3ige s GLU 35 N -5.59 0.51 -0.07 0.81 2.12 -1.08 -5.11 118.70 110.28 3ige s GLU 35 Ca -0.10 0.81 -0.29 0.00 0.36 0.00 0.00 54.97 55.75 3ige s GLU 35 Cb 0.17 0.14 0.10 0.00 0.26 0.00 0.00 34.13 34.80 3ige s GLU 35 CO 0.76 -0.10 0.85 -3.38 -0.54 0.00 0.00 175.26 172.85 3ige s HIS 36 N 1.19 -0.46 -0.15 5.30 -3.43 -1.24 -4.52 115.29 111.97 3ige s HIS 36 Ca -0.07 0.66 0.02 0.00 -0.80 0.00 0.00 55.06 54.87 3ige s HIS 36 Cb -0.04 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.59 3ige s HIS 36 CO -0.14 -0.51 -0.21 0.50 -2.00 0.00 0.00 174.74 172.38 3ige s ARG 37 N -1.80 2.97 -0.25 -0.38 3.52 -1.26 -5.10 118.95 116.65 3ige s ARG 37 Ca -0.03 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 3ige s ARG 37 Cb -0.00 -2.44 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3ige s ARG 37 CO 0.00 -0.07 -0.09 0.42 -0.81 0.00 0.00 175.30 174.76 3ige s ILE 38 N 0.95 2.51 -0.07 4.11 1.01 -1.26 -4.97 121.20 123.48 3ige s ILE 38 Ca -0.04 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.31 3ige s ILE 38 Cb -0.15 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 3ige s ILE 38 CO -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 174.94 174.95 3ige n ALA 39 N 4.56 1.84 -2.62 9.38 0.00 -1.26 -5.08 120.51 127.33 3ige n ALA 39 Ca -0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 3ige n ALA 39 Cb 0.45 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 3ige n ALA 39 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ige s ASP 40 N -4.36 3.41 0.00 0.00 3.84 -1.26 -5.05 116.67 113.25 3ige s ASP 40 Ca -0.08 -1.61 0.22 0.00 -0.00 0.00 0.00 52.55 51.09 3ige s ASP 40 Cb 0.02 0.37 0.56 0.00 -1.38 0.00 0.00 42.92 42.50 3ige s ASP 40 CO 0.20 -0.82 1.48 0.00 -0.00 0.00 0.00 175.17 176.03 3ige n ALA 41 N -1.04 2.38 -1.21 2.11 0.00 -1.26 -4.68 120.51 116.81 3ige n ALA 41 Ca -0.11 -1.20 -0.26 0.00 0.00 0.00 0.00 53.44 51.87 3ige n ALA 41 Cb 0.66 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 3ige n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ige n HIS 42 N 1.55 1.27 -3.95 0.00 8.25 -1.26 -4.82 115.22 116.26 3ige n HIS 42 Ca 0.22 -2.29 -0.10 0.00 -0.26 0.00 0.00 57.72 55.29 3ige n HIS 42 Cb 0.61 -2.00 -0.03 0.00 1.12 0.00 0.00 29.99 29.69 3ige n HIS 42 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ige s TYR 43 N 1.28 0.38 -0.01 4.41 1.13 -1.26 -1.05 117.35 122.22 3ige s TYR 43 Ca 0.67 -0.80 -0.16 0.00 -1.41 0.00 0.00 57.07 55.37 3ige s TYR 43 Cb 0.25 0.36 0.03 0.00 -1.10 0.00 0.00 41.96 41.50 3ige s TYR 43 CO -0.04 -1.20 0.35 1.14 -2.51 0.00 0.00 175.55 173.29 3ige s GLN 44 N -3.40 0.72 -0.00 -3.49 -2.07 -0.47 -4.95 119.66 106.00 3ige s GLN 44 Ca 0.21 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.58 3ige s GLN 44 Cb -0.02 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3ige s GLN 44 CO 0.12 -0.20 0.00 0.99 -1.32 0.00 0.00 175.29 174.88 3ige s THR 45 N -1.38 0.01 -0.18 3.63 2.01 -1.26 -2.02 115.64 116.45 3ige s THR 45 Ca -0.13 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 3ige s THR 45 Cb -0.04 -0.04 0.05 0.00 0.01 0.00 0.00 72.50 72.48 3ige s THR 45 CO 0.04 0.02 0.46 0.72 -0.69 0.00 0.00 174.62 175.17 3ige s PHE 46 N 0.17 -0.59 0.69 4.92 -0.12 -1.08 -5.01 117.98 116.97 3ige s PHE 46 Ca -0.01 1.33 -0.11 0.00 -0.05 0.00 0.00 56.93 58.08 3ige s PHE 46 Cb -0.02 0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 3ige s PHE 46 CO -0.00 -0.31 1.08 -2.14 -0.05 0.00 0.00 175.22 173.80 3ige s PRO 47 N 0.84 2.90 -0.21 1.99 0.02 -1.26 -1.97 135.00 137.32 3ige s PRO 47 Ca -0.05 0.45 -0.32 0.00 0.02 0.00 0.00 61.00 61.10 3ige s PRO 47 Cb -0.06 -2.04 0.15 0.00 0.02 0.00 0.00 34.50 32.57 3ige s PRO 47 CO -0.07 -0.99 1.20 -1.54 -0.33 0.00 0.00 177.00 175.27 3ige s SER 48 N -4.35 -0.17 0.28 2.53 1.04 -1.01 -4.92 113.70 107.11 3ige s SER 48 Ca 0.58 0.10 0.01 0.00 0.48 0.00 0.00 55.95 57.11 3ige s SER 48 Cb -0.11 0.15 0.41 0.00 0.10 0.00 0.00 66.02 66.58 3ige s SER 48 CO 0.51 -0.21 1.76 -0.33 0.98 0.00 0.00 173.24 175.96 3ige h GLU 49 N 2.14 0.62 -6.43 4.02 5.08 -1.94 0.11 114.58 118.17 3ige h GLU 49 Ca -0.11 -0.19 -0.62 0.00 -1.00 0.00 0.00 59.36 57.44 3ige h GLU 49 Cb 1.17 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 3ige h GLU 49 CO 0.25 0.71 -0.73 0.15 -1.00 0.00 0.00 179.01 178.40 3ige s LYS 50 N -4.78 2.03 0.08 2.33 1.02 -1.26 -4.42 119.74 114.74 3ige s LYS 50 Ca -0.08 -1.31 -0.31 0.00 0.02 0.00 0.00 55.97 54.29 3ige s LYS 50 Cb 0.14 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 3ige s LYS 50 CO 0.79 0.43 1.52 0.00 -0.92 0.00 0.00 175.35 177.17 3ige s ALA 51 N -1.76 3.66 -0.21 5.17 0.00 -1.26 -4.77 121.76 122.58 3ige s ALA 51 Ca 0.25 1.14 0.22 0.00 0.00 0.00 0.00 51.96 53.57 3ige s ALA 51 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3ige s ALA 51 CO 0.15 -0.89 0.99 0.00 0.00 0.00 0.00 175.76 176.01 3ige n ALA 52 N 4.88 2.44 -2.70 0.00 0.00 -1.26 -4.93 120.51 118.93 3ige n ALA 52 Ca 0.14 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 3ige n ALA 52 Cb 0.41 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3ige n ALA 52 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ige s TYR 53 N -3.30 2.86 0.15 0.00 2.02 -1.26 -5.04 117.35 112.78 3ige s TYR 53 Ca -0.01 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.39 3ige s TYR 53 Cb 0.09 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 3ige s TYR 53 CO 0.80 0.56 1.69 1.15 -1.57 0.00 0.00 175.55 178.18 3ige h THR 54 N 1.93 1.22 -3.40 -0.71 2.02 -1.92 -3.41 112.91 108.64 3ige h THR 54 Ca -0.46 -0.70 -0.58 0.00 0.77 0.00 0.00 66.41 65.44 3ige h THR 54 Cb 1.23 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 3ige h THR 54 CO 0.60 0.26 0.79 -0.89 0.37 0.00 0.00 175.52 176.65 3ige s THR 55 N -5.49 4.50 -0.16 3.16 2.01 -1.26 -5.01 115.64 113.38 3ige s THR 55 Ca -0.13 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.43 3ige s THR 55 Cb 0.11 -4.41 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3ige s THR 55 CO 0.78 -0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.26 3ige s VAL 56 N 3.70 2.15 0.27 3.82 1.01 -1.26 -1.02 120.40 129.07 3ige s VAL 56 Ca 0.44 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3ige s VAL 56 Cb -0.12 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 3ige s VAL 56 CO 0.18 0.54 1.61 0.52 0.00 0.00 0.00 175.10 177.95 3ige n VAL 57 N 4.32 0.77 -0.07 2.92 0.31 -0.49 -4.93 118.33 121.16 3ige n VAL 57 Ca -0.20 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 3ige n VAL 57 Cb 0.51 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.38 3ige n VAL 57 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ige n THR 58 N 2.55 1.53 -3.89 2.52 -2.24 -1.26 -4.65 114.28 108.83 3ige n THR 58 Ca 0.11 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 3ige n THR 58 Cb 0.36 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3ige n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ige s ASP 59 N -6.07 0.11 0.29 3.42 1.47 -1.26 -5.03 116.67 109.60 3ige s ASP 59 Ca -0.15 -1.08 -0.01 0.00 1.18 0.00 0.00 52.55 52.49 3ige s ASP 59 Cb 0.07 0.77 0.45 0.00 -0.34 0.00 0.00 42.92 43.87 3ige s ASP 59 CO 0.78 -1.50 1.92 0.00 0.68 0.00 0.00 175.17 177.05 3ige h ALA 60 N 2.04 1.44 -0.40 2.11 0.00 -1.96 -1.68 119.26 120.81 3ige h ALA 60 Ca -0.28 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3ige h ALA 60 Cb 1.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3ige h ALA 60 CO 0.36 0.46 -0.26 0.00 0.00 0.00 0.00 179.25 179.81 3ige h ALA 61 N 1.47 0.80 -0.66 0.00 0.00 -2.00 -2.20 119.26 116.67 3ige h ALA 61 Ca 0.38 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ige h ALA 61 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ige h ALA 61 CO -0.12 0.65 0.20 0.22 0.00 0.00 0.00 179.25 180.20 3ige h ASP 62 N 0.71 0.95 -0.25 0.00 3.58 -1.77 -2.59 116.42 117.05 3ige h ASP 62 Ca 0.09 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 3ige h ASP 62 Cb 0.79 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3ige h ASP 62 CO 0.07 0.89 -0.18 -0.25 -2.88 0.00 0.00 179.24 176.88 3ige h TRP 63 N 0.98 0.66 -0.42 0.28 -0.00 -1.16 -2.40 115.95 113.89 3ige h TRP 63 Ca 0.22 -0.18 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 3ige h TRP 63 Cb 0.28 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 3ige h TRP 63 CO 0.02 0.86 0.28 0.00 -0.00 0.00 0.00 178.44 179.60 3ige h ARG 64 N 0.27 0.38 0.11 2.65 3.08 -1.29 0.31 114.38 119.90 3ige h ARG 64 Ca 0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3ige h ARG 64 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3ige h ARG 64 CO 0.05 0.25 -0.05 1.15 -1.07 0.00 0.00 179.97 180.30 3ige h THR 65 N 0.40 1.10 -0.44 2.04 2.02 -1.32 -2.23 112.91 114.48 3ige h THR 65 Ca 0.18 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 3ige h THR 65 Cb 0.21 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3ige h THR 65 CO -0.04 0.25 -0.15 0.11 0.37 0.00 0.00 175.52 176.06 3ige h LYS 66 N -0.68 0.82 -0.46 6.66 1.57 -1.15 -1.69 116.57 121.64 3ige h LYS 66 Ca -0.02 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3ige h LYS 66 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3ige h LYS 66 CO 0.02 0.92 0.29 -0.97 -0.57 0.00 0.00 179.45 179.14 3ige h ASN 67 N 0.73 0.54 0.53 0.86 -0.00 -0.45 -2.04 115.58 115.75 3ige h ASN 67 Ca 0.11 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 56.32 3ige h ASN 67 Cb 0.66 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.83 3ige h ASN 67 CO 0.05 0.41 -0.28 0.00 -0.00 0.00 0.00 177.43 177.61 3ige h ALA 68 N 1.15 1.23 0.00 1.57 0.00 -1.22 -2.10 119.26 119.88 3ige h ALA 68 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ige h ALA 68 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ige h ALA 68 CO -0.03 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3ige n ALA 69 N -2.34 1.58 0.52 0.00 0.00 -0.65 -2.23 120.51 117.38 3ige n ALA 69 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3ige n ALA 69 Cb 0.38 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.90 3ige n ALA 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ige n MET 70 N -2.25 0.21 0.00 0.00 2.00 -0.79 -3.92 117.12 112.38 3ige n MET 70 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 57.70 58.03 3ige n MET 70 Cb 0.20 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.60 3ige n MET 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ige n PHE 71 N -2.21 0.00 -1.99 2.03 3.72 -0.95 -4.98 117.46 113.09 3ige n PHE 71 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3ige n PHE 71 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 3ige n PHE 71 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ige s THR 72 N -1.64 3.49 0.28 4.37 2.01 -1.00 -4.96 115.64 118.19 3ige s THR 72 Ca 0.00 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 3ige s THR 72 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3ige s THR 72 CO 0.00 -0.30 1.31 -2.84 -0.69 0.00 0.00 174.62 172.11 3ige s PRO 73 N 5.23 4.37 0.03 4.92 0.02 -1.26 -4.79 135.00 143.52 3ige s PRO 73 Ca 0.79 2.16 0.04 0.00 0.02 0.00 0.00 61.00 64.00 3ige s PRO 73 Cb -0.26 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 3ige s PRO 73 CO 0.32 -0.21 -0.11 0.95 -0.33 0.00 0.00 177.00 177.63 3ige s THR 74 N -0.65 0.86 0.35 0.99 -4.23 0.89 -4.85 115.64 109.00 3ige s THR 74 Ca 0.52 -0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 3ige s THR 74 Cb -0.39 -0.80 -0.12 0.00 1.34 0.00 0.00 72.50 72.54 3ige s THR 74 CO 0.47 -0.06 1.41 -2.65 -0.54 0.00 0.00 174.62 173.25 3ige n PRO 75 N 2.00 2.44 0.00 3.99 -0.02 -1.26 0.11 135.00 142.26 3ige n PRO 75 Ca -0.18 0.86 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 3ige n PRO 75 Cb 0.55 -2.53 0.56 0.00 -0.02 0.00 0.00 33.50 32.06 3ige n PRO 75 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76