#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g6r s GLN 2 N 0.00 0.59 -0.17 9.51 -0.21 -1.23 -3.20 119.66 124.95 1g6r s GLN 2 Ca 0.00 1.16 -0.00 0.00 0.02 0.00 0.00 55.36 56.54 1g6r s GLN 2 Cb 0.00 0.25 0.04 0.00 1.00 0.00 0.00 33.01 34.30 1g6r s GLN 2 CO 0.00 -0.17 -0.07 0.21 -2.12 0.00 0.00 175.29 173.14 1g6r s LYS 3 N 1.89 1.64 0.07 2.91 2.47 -1.03 -4.90 119.74 122.79 1g6r s LYS 3 Ca -0.09 -0.57 -0.35 0.00 -1.56 0.00 0.00 55.97 53.41 1g6r s LYS 3 Cb -0.08 -2.07 -0.14 0.00 -1.46 0.00 0.00 37.83 34.09 1g6r s LYS 3 CO -0.18 -0.40 1.62 2.41 0.16 0.00 0.00 175.35 178.96 1g6r n THR 4 N 4.83 0.15 -1.93 3.43 -1.04 -1.26 -3.19 114.28 115.27 1g6r n THR 4 Ca -0.13 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 1g6r n THR 4 Cb 0.48 -1.50 0.04 0.00 -1.82 0.00 0.00 70.33 67.53 1g6r n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g6r s PRO 5 N 1.71 2.93 -0.12 -2.82 0.04 -1.24 -4.66 135.00 130.84 1g6r s PRO 5 Ca 0.84 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.79 1g6r s PRO 5 Cb -0.74 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1g6r s PRO 5 CO 0.43 -1.27 -0.01 -0.65 0.04 0.00 0.00 177.00 175.54 1g6r s GLN 6 N -3.24 3.35 0.12 4.56 -1.52 0.26 -4.89 119.66 118.29 1g6r s GLN 6 Ca 0.77 -0.46 0.08 0.00 -1.95 0.00 0.00 55.36 53.80 1g6r s GLN 6 Cb -0.34 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 1g6r s GLN 6 CO 0.37 0.47 -0.14 0.42 -0.25 0.00 0.00 175.29 176.16 1g6r s ILE 7 N -0.24 3.09 -0.07 1.08 1.01 -1.26 -0.95 121.20 123.86 1g6r s ILE 7 Ca 0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.26 1g6r s ILE 7 Cb -0.13 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1g6r s ILE 7 CO 0.02 0.09 0.14 -1.58 0.00 0.00 0.00 174.94 173.61 1g6r s GLN 8 N -2.21 0.03 -0.13 2.79 0.74 -1.16 -5.01 119.66 114.71 1g6r s GLN 8 Ca 0.20 0.46 -0.03 0.00 0.05 0.00 0.00 55.36 56.05 1g6r s GLN 8 Cb -0.11 -0.28 -0.03 0.00 1.10 0.00 0.00 33.01 33.70 1g6r s GLN 8 CO 0.12 -0.26 -0.03 0.08 -0.55 0.00 0.00 175.29 174.64 1g6r s VAL 9 N 1.90 3.97 0.09 1.34 1.01 -1.26 -2.56 120.40 124.89 1g6r s VAL 9 Ca -0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1g6r s VAL 9 Cb -0.12 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1g6r s VAL 9 CO -0.05 0.53 1.12 -0.72 0.00 0.00 0.00 175.10 175.98 1g6r s TYR 10 N -0.07 -0.02 0.42 5.22 -0.85 -1.17 -4.51 117.35 116.37 1g6r s TYR 10 Ca 0.02 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.42 1g6r s TYR 10 Cb -0.13 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.82 1g6r s TYR 10 CO 0.02 -0.63 0.46 -1.54 -1.52 0.00 0.00 175.55 172.34 1g6r s SER 11 N -3.22 5.31 -0.18 -0.18 1.04 -1.26 -0.09 113.70 115.13 1g6r s SER 11 Ca 0.18 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 1g6r s SER 11 Cb 0.00 -0.62 -0.22 0.00 0.10 0.00 0.00 66.02 65.29 1g6r s SER 11 CO 0.01 -0.69 0.18 -2.11 0.98 0.00 0.00 173.24 171.60 1g6r n ARG 12 N -1.67 0.67 -3.86 4.02 1.85 -0.93 -4.78 116.66 111.96 1g6r n ARG 12 Ca 0.05 0.34 -0.33 0.00 -1.00 0.00 0.00 57.85 56.91 1g6r n ARG 12 Cb 0.61 -1.67 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1g6r n ARG 12 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1g6r s HIS 13 N -2.49 3.54 -0.14 2.89 3.76 -1.26 -5.01 115.29 116.57 1g6r s HIS 13 Ca -0.27 0.39 -0.39 0.00 -0.15 0.00 0.00 55.06 54.63 1g6r s HIS 13 Cb 0.07 -1.85 -0.16 0.00 1.11 0.00 0.00 32.58 31.75 1g6r s HIS 13 CO 0.67 0.61 1.56 -0.35 -0.85 0.00 0.00 174.74 176.38 1g6r n PRO 14 N 0.75 1.07 -0.95 8.40 -0.04 -1.26 -4.86 135.00 138.10 1g6r n PRO 14 Ca -0.09 0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 1g6r n PRO 14 Cb 0.52 -2.04 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1g6r n PRO 14 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1g6r n PRO 15 N 4.12 -0.17 0.00 0.54 -0.02 -1.26 -5.03 135.00 133.18 1g6r n PRO 15 Ca 0.23 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1g6r n PRO 15 Cb 0.14 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1g6r n PRO 15 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g6r n GLU 16 N 1.76 0.00 -1.60 -0.52 2.13 -1.26 -5.13 120.64 116.01 1g6r n GLU 16 Ca -0.01 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.42 1g6r n GLU 16 Cb 0.65 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.40 1g6r n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1g6r n ASN 17 N 0.00 0.77 0.00 4.31 5.03 -1.26 -2.68 115.26 121.43 1g6r n ASN 17 Ca 0.00 0.86 0.00 0.00 0.87 0.00 0.00 54.58 56.31 1g6r n ASN 17 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 39.78 37.40 1g6r n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g6r n GLY 18 N 1.29 2.66 3.75 7.41 0.00 -1.05 -5.02 105.19 114.24 1g6r n GLY 18 Ca 0.12 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1g6r n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g6r s LYS 19 N 0.00 4.39 0.20 1.61 1.02 -1.09 -4.99 119.74 120.88 1g6r s LYS 19 Ca 0.00 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 1g6r s LYS 19 Cb 0.00 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 1g6r s LYS 19 CO 0.00 0.32 1.39 -1.25 -0.92 0.00 0.00 175.35 174.89 1g6r s PRO 20 N -0.09 4.32 0.00 -1.68 0.04 -1.26 -4.33 135.00 132.00 1g6r s PRO 20 Ca 0.34 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1g6r s PRO 20 Cb -0.19 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1g6r s PRO 20 CO 0.19 -0.37 0.00 -1.71 0.04 0.00 0.00 177.00 175.15 1g6r n ASN 21 N 2.81 0.42 -3.87 6.66 4.05 0.57 -4.97 115.26 120.93 1g6r n ASN 21 Ca 0.08 -0.01 -0.11 0.00 0.45 0.00 0.00 54.58 54.98 1g6r n ASN 21 Cb 0.41 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.30 1g6r n ASN 21 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1g6r s ILE 22 N -0.60 0.04 -0.15 -1.44 1.01 -1.26 -0.34 121.20 118.46 1g6r s ILE 22 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 1g6r s ILE 22 Cb 0.00 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.30 1g6r s ILE 22 CO 0.00 -0.16 -0.08 -0.22 0.00 0.00 0.00 174.94 174.48 1g6r s LEU 23 N -0.49 1.52 0.63 2.97 0.20 0.03 -2.18 118.68 121.37 1g6r s LEU 23 Ca -0.06 -0.52 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 1g6r s LEU 23 Cb -0.04 -0.96 0.06 0.00 -0.43 0.00 0.00 46.19 44.82 1g6r s LEU 23 CO 0.00 -0.14 0.89 0.20 -0.29 0.00 0.00 176.35 177.02 1g6r s ASN 24 N 1.62 4.97 -0.45 3.68 -0.87 0.88 -1.64 114.94 123.12 1g6r s ASN 24 Ca 0.03 0.13 0.06 0.00 -1.57 0.00 0.00 52.86 51.51 1g6r s ASN 24 Cb -0.14 -0.86 0.21 0.00 -0.02 0.00 0.00 41.25 40.44 1g6r s ASN 24 CO -0.08 -1.41 0.61 0.00 -2.57 0.00 0.00 177.10 173.64 1g6r s TYR 26 N 0.11 1.30 -0.12 0.00 5.04 -1.06 -3.45 117.35 119.17 1g6r s TYR 26 Ca 0.33 1.41 -0.12 0.00 -2.44 0.00 0.00 57.07 56.24 1g6r s TYR 26 Cb 0.10 -3.70 -0.05 0.00 0.35 0.00 0.00 41.96 38.66 1g6r s TYR 26 CO -0.15 -2.12 0.27 0.08 -1.34 0.00 0.00 175.55 172.29 1g6r s VAL 27 N 12.02 5.30 0.15 3.14 1.01 -0.16 -2.99 120.40 138.87 1g6r s VAL 27 Ca 0.86 0.50 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1g6r s VAL 27 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1g6r s VAL 27 CO 0.16 0.48 0.18 0.35 0.00 0.00 0.00 175.10 176.27 1g6r n THR 28 N 2.86 0.00 -3.98 3.92 -2.24 -0.12 -1.55 114.28 113.16 1g6r n THR 28 Ca -0.14 -0.87 -0.35 0.00 -2.27 0.00 0.00 64.05 60.41 1g6r n THR 28 Cb 0.53 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1g6r n THR 28 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1g6r n GLN 29 N -0.26 -1.28 -4.10 -0.78 7.27 -0.93 -0.57 117.38 116.73 1g6r n GLN 29 Ca 0.01 0.25 -0.14 0.00 0.07 0.00 0.00 57.00 57.19 1g6r n GLN 29 Cb 0.25 -3.57 -0.11 0.00 2.41 0.00 0.00 30.24 29.22 1g6r n GLN 29 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1g6r s PHE 30 N -3.75 0.84 -0.26 3.69 -0.12 -1.24 -3.68 117.98 113.46 1g6r s PHE 30 Ca 0.30 -0.51 -0.26 0.00 -0.05 0.00 0.00 56.93 56.41 1g6r s PHE 30 Cb -0.14 -0.49 0.11 0.00 -0.63 0.00 0.00 43.02 41.87 1g6r s PHE 30 CO 0.93 -0.04 0.93 -1.58 -0.05 0.00 0.00 175.22 175.40 1g6r s HIS 31 N -1.49 -0.56 1.04 3.49 2.46 -1.19 -3.01 115.29 116.03 1g6r s HIS 31 Ca -0.06 1.34 -0.15 0.00 0.47 0.00 0.00 55.06 56.66 1g6r s HIS 31 Cb -0.09 0.34 0.09 0.00 -0.13 0.00 0.00 32.58 32.79 1g6r s HIS 31 CO 0.01 -0.29 0.26 -2.30 -2.47 0.00 0.00 174.74 169.95 1g6r n PRO 32 N 2.21 -1.03 -0.29 2.88 -0.02 -1.19 -2.47 135.00 135.07 1g6r n PRO 32 Ca -0.13 -0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.09 1g6r n PRO 32 Cb 0.56 -1.81 0.21 0.00 -0.02 0.00 0.00 33.50 32.44 1g6r n PRO 32 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1g6r h PRO 33 N -1.87 1.07 -6.44 0.52 0.11 -1.96 -3.42 132.00 120.01 1g6r h PRO 33 Ca -0.49 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.02 1g6r h PRO 33 Cb 1.32 -0.24 0.03 0.00 0.11 0.00 0.00 31.00 32.22 1g6r h PRO 33 CO 0.37 0.71 1.12 -1.58 -0.21 0.00 0.00 178.00 178.41 1g6r s HIS 34 N -5.94 1.94 -0.09 0.65 2.46 -1.26 -4.97 115.29 108.09 1g6r s HIS 34 Ca -0.12 -0.07 -0.28 0.00 0.47 0.00 0.00 55.06 55.07 1g6r s HIS 34 Cb 0.19 -4.14 0.06 0.00 -0.13 0.00 0.00 32.58 28.56 1g6r s HIS 34 CO 0.80 -4.81 0.64 -1.50 -2.47 0.00 0.00 174.74 167.40 1g6r s ILE 35 N 3.29 0.01 -0.22 0.89 2.07 -1.26 -4.60 121.20 121.38 1g6r s ILE 35 Ca 0.81 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.96 1g6r s ILE 35 Cb -0.43 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 1g6r s ILE 35 CO 0.37 -0.03 -0.00 -0.70 -1.91 0.00 0.00 174.94 172.67 1g6r s GLU 36 N -0.89 3.54 -0.15 3.50 2.12 0.17 -4.90 118.70 122.10 1g6r s GLU 36 Ca -0.09 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.69 1g6r s GLU 36 Cb -0.01 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.31 1g6r s GLU 36 CO 0.08 -0.10 -0.09 0.42 -0.54 0.00 0.00 175.26 175.03 1g6r s ILE 37 N 1.28 1.25 0.02 -3.70 1.09 -1.26 0.18 121.20 120.06 1g6r s ILE 37 Ca 0.04 -0.56 0.07 0.00 -1.10 0.00 0.00 60.65 59.10 1g6r s ILE 37 Cb -0.15 -1.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.93 1g6r s ILE 37 CO 0.01 0.29 -0.19 -1.10 -0.10 0.00 0.00 174.94 173.85 1g6r s GLN 38 N 1.60 2.13 0.09 2.79 -0.21 0.49 -4.97 119.66 121.57 1g6r s GLN 38 Ca 0.03 -0.93 0.07 0.00 0.02 0.00 0.00 55.36 54.55 1g6r s GLN 38 Cb -0.14 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1g6r s GLN 38 CO -0.09 0.56 -0.14 1.41 -2.12 0.00 0.00 175.29 174.91 1g6r s MET 39 N -1.21 2.04 -0.05 2.91 1.75 -1.26 0.13 119.30 123.60 1g6r s MET 39 Ca 0.13 -1.04 -0.29 0.00 -1.25 0.00 0.00 55.69 53.24 1g6r s MET 39 Cb -0.10 -2.23 0.09 0.00 2.84 0.00 0.00 34.83 35.42 1g6r s MET 39 CO 0.04 0.51 0.78 -0.48 -0.65 0.00 0.00 175.02 175.22 1g6r s LEU 40 N -1.98 -0.53 -0.24 4.11 -0.00 -0.94 -1.60 118.68 117.50 1g6r s LEU 40 Ca 0.19 0.44 -0.03 0.00 -0.00 0.00 0.00 54.13 54.73 1g6r s LEU 40 Cb -0.11 2.29 0.01 0.00 -0.00 0.00 0.00 46.19 48.39 1g6r s LEU 40 CO 0.10 -0.59 -0.04 -0.75 -0.00 0.00 0.00 176.35 175.08 1g6r s LYS 41 N -1.76 3.07 -0.60 1.48 2.20 -1.18 -2.25 119.74 120.70 1g6r s LYS 41 Ca -0.05 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1g6r s LYS 41 Cb -0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1g6r s LYS 41 CO 0.02 -0.32 0.00 0.09 -0.36 0.00 0.00 175.35 174.78 1g6r n ASN 42 N 4.74 -3.98 0.00 1.43 3.02 0.34 -2.80 115.26 118.01 1g6r n ASN 42 Ca -0.17 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1g6r n ASN 42 Cb 0.49 -1.98 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 1g6r n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g6r n GLY 43 N -1.90 1.48 3.42 7.41 0.00 -1.26 -5.00 105.19 109.33 1g6r n GLY 43 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1g6r n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g6r s LYS 44 N -0.51 3.08 -0.47 1.61 -2.85 -1.12 -4.98 119.74 114.49 1g6r s LYS 44 Ca 0.00 -1.09 -0.34 0.00 -1.00 0.00 0.00 55.97 53.55 1g6r s LYS 44 Cb 0.00 -4.14 -0.16 0.00 -2.06 0.00 0.00 37.83 31.47 1g6r s LYS 44 CO 0.00 -1.24 1.80 1.63 0.10 0.00 0.00 175.35 177.64 1g6r n LYS 45 N 5.96 0.00 -1.79 1.78 4.76 -1.26 -3.08 118.16 124.53 1g6r n LYS 45 Ca -0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 1g6r n LYS 45 Cb 0.44 -1.21 -0.01 0.00 -1.84 0.00 0.00 35.03 32.41 1g6r n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1g6r s ILE 46 N 5.23 2.06 0.00 -0.18 1.01 -0.63 -4.89 121.20 123.80 1g6r s ILE 46 Ca 0.99 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1g6r s ILE 46 Cb -1.18 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1g6r s ILE 46 CO 0.51 0.01 0.00 -0.81 0.00 0.00 0.00 174.94 174.65 1g6r n PRO 47 N 1.30 0.00 -1.52 2.79 -0.04 -1.26 -4.65 135.00 131.62 1g6r n PRO 47 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1g6r n PRO 47 Cb 0.38 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.71 1g6r n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1g6r n LYS 48 N 0.00 0.30 -3.96 0.54 5.02 -1.26 -4.89 118.16 113.91 1g6r n LYS 48 Ca 0.00 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.78 1g6r n LYS 48 Cb 0.00 -2.13 -0.14 0.00 -0.02 0.00 0.00 35.03 32.74 1g6r n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g6r s VAL 49 N 7.93 2.93 0.51 -0.18 1.01 -1.26 -4.71 120.40 126.64 1g6r s VAL 49 Ca 1.20 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1g6r s VAL 49 Cb -0.72 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 1g6r s VAL 49 CO 0.40 0.29 1.11 -1.61 0.00 0.00 0.00 175.10 175.29 1g6r s GLU 50 N 1.36 3.54 -0.08 2.72 0.41 -0.91 -4.95 118.70 120.78 1g6r s GLU 50 Ca 0.02 1.58 -0.03 0.00 -0.41 0.00 0.00 54.97 56.13 1g6r s GLU 50 Cb -0.16 -2.10 0.05 0.00 -1.78 0.00 0.00 34.13 30.14 1g6r s GLU 50 CO -0.05 -0.69 0.16 -1.64 -0.49 0.00 0.00 175.26 172.55 1g6r s MET 51 N -3.16 0.05 0.62 1.61 -1.94 -1.26 -3.00 119.30 112.22 1g6r s MET 51 Ca 0.70 0.55 -0.13 0.00 -1.71 0.00 0.00 55.69 55.09 1g6r s MET 51 Cb -0.23 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.33 1g6r s MET 51 CO 0.27 -0.29 1.04 -1.54 -0.01 0.00 0.00 175.02 174.49 1g6r s SER 52 N 2.15 5.87 0.51 3.03 1.04 -0.91 -4.99 113.70 120.40 1g6r s SER 52 Ca 0.01 1.64 -0.22 0.00 0.48 0.00 0.00 55.95 57.87 1g6r s SER 52 Cb -0.12 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 1g6r s SER 52 CO -0.06 -1.11 1.23 -1.81 0.98 0.00 0.00 173.24 172.47 1g6r s ASP 53 N -3.39 5.73 0.76 7.02 1.11 -1.26 -4.73 116.67 121.92 1g6r s ASP 53 Ca 0.60 2.45 -0.11 0.00 0.18 0.00 0.00 52.55 55.67 1g6r s ASP 53 Cb -0.13 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.29 1g6r s ASP 53 CO 0.45 -1.23 1.09 -0.32 1.18 0.00 0.00 175.17 176.33 1g6r s MET 54 N -2.88 2.35 0.00 8.23 -2.45 -1.26 -4.83 119.30 118.45 1g6r s MET 54 Ca 0.68 1.14 0.00 0.00 -1.25 0.00 0.00 55.69 56.26 1g6r s MET 54 Cb -0.32 -1.91 0.00 0.00 1.25 0.00 0.00 34.83 33.85 1g6r s MET 54 CO 0.38 -1.57 0.00 0.43 1.05 0.00 0.00 175.02 175.31 1g6r n SER 55 N -3.47 0.00 -3.64 1.11 7.64 -0.97 -4.99 113.62 109.30 1g6r n SER 55 Ca 0.09 -0.34 -0.03 0.00 1.01 0.00 0.00 58.87 59.60 1g6r n SER 55 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1g6r n SER 55 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1g6r s PHE 56 N -3.52 -0.56 1.41 1.43 -0.12 -1.26 -2.29 117.98 113.07 1g6r s PHE 56 Ca 0.00 1.14 -0.22 0.00 -0.05 0.00 0.00 56.93 57.79 1g6r s PHE 56 Cb 0.00 0.35 0.36 0.00 -0.63 0.00 0.00 43.02 43.10 1g6r s PHE 56 CO 0.00 -0.27 0.94 -1.12 -0.05 0.00 0.00 175.22 174.72 1g6r s SER 57 N 1.19 -0.92 0.25 1.98 0.01 0.20 -4.88 113.70 111.53 1g6r s SER 57 Ca -0.07 0.86 0.23 0.00 1.31 0.00 0.00 55.95 58.27 1g6r s SER 57 Cb -0.04 -1.22 0.96 0.00 0.21 0.00 0.00 66.02 65.94 1g6r s SER 57 CO -0.14 -5.28 1.69 0.29 0.41 0.00 0.00 173.24 170.22 1g6r n LYS 58 N -5.57 0.18 -0.12 12.44 4.01 -1.26 -2.61 118.16 125.22 1g6r n LYS 58 Ca 0.12 0.42 0.11 0.00 -0.51 0.00 0.00 58.31 58.45 1g6r n LYS 58 Cb 0.60 -1.85 0.29 0.00 -0.51 0.00 0.00 35.03 33.56 1g6r n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1g6r n ASP 59 N -2.20 2.47 0.00 4.39 5.75 -1.26 -4.93 116.55 120.78 1g6r n ASP 59 Ca 0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1g6r n ASP 59 Cb 0.22 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1g6r n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1g6r n TRP 60 N 0.86 0.00 -2.31 2.11 5.03 -1.07 -5.06 117.44 116.99 1g6r n TRP 60 Ca 0.17 0.00 -0.38 0.00 3.03 0.00 0.00 57.50 60.32 1g6r n TRP 60 Cb 0.46 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.72 1g6r n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1g6r s SER 61 N -2.79 6.49 0.40 -0.99 1.04 -1.26 -4.75 113.70 111.84 1g6r s SER 61 Ca 0.00 2.31 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 1g6r s SER 61 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1g6r s SER 61 CO 0.00 -0.69 0.62 -0.36 0.98 0.00 0.00 173.24 173.78 1g6r s PHE 62 N -1.46 3.39 -0.09 5.02 0.40 -1.16 0.59 117.98 124.68 1g6r s PHE 62 Ca 0.58 0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 57.18 1g6r s PHE 62 Cb -0.29 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.16 1g6r s PHE 62 CO 0.37 -0.11 0.22 1.52 0.70 0.00 0.00 175.22 177.92 1g6r s TYR 63 N -2.45 -0.25 -0.06 0.36 -0.85 -0.97 -2.20 117.35 110.94 1g6r s TYR 63 Ca 0.44 0.62 -0.06 0.00 -0.52 0.00 0.00 57.07 57.54 1g6r s TYR 63 Cb -0.10 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.33 1g6r s TYR 63 CO 0.38 -0.13 0.17 -1.50 -1.52 0.00 0.00 175.55 172.95 1g6r s ILE 64 N 0.28 0.01 -0.13 -3.49 1.10 -0.60 -2.30 121.20 116.08 1g6r s ILE 64 Ca -0.01 -0.07 0.02 0.00 -0.51 0.00 0.00 60.65 60.07 1g6r s ILE 64 Cb -0.03 -0.27 -0.00 0.00 0.15 0.00 0.00 42.46 42.30 1g6r s ILE 64 CO -0.01 -0.04 -0.18 -0.22 -2.11 0.00 0.00 174.94 172.38 1g6r s LEU 65 N -0.07 2.37 -0.03 8.50 0.20 -1.26 -0.99 118.68 127.40 1g6r s LEU 65 Ca -0.02 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.37 1g6r s LEU 65 Cb -0.02 -1.51 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 1g6r s LEU 65 CO 0.00 0.13 -0.15 0.00 -0.29 0.00 0.00 176.35 176.04 1g6r s ALA 66 N 0.52 2.63 -0.09 5.97 0.00 -1.22 -2.14 121.76 127.42 1g6r s ALA 66 Ca -0.12 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1g6r s ALA 66 Cb -0.16 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1g6r s ALA 66 CO 0.05 0.56 0.24 -3.38 0.00 0.00 0.00 175.76 173.23 1g6r s HIS 67 N -0.76 -0.27 -0.08 0.00 -0.00 -1.16 1.00 115.29 114.02 1g6r s HIS 67 Ca 0.12 0.65 0.05 0.00 -0.00 0.00 0.00 55.06 55.88 1g6r s HIS 67 Cb -0.11 0.09 -0.00 0.00 -0.00 0.00 0.00 32.58 32.56 1g6r s HIS 67 CO 0.01 -0.13 -0.23 0.99 -0.00 0.00 0.00 174.74 175.38 1g6r s THR 68 N 0.17 1.95 0.29 -5.38 2.01 -0.65 -2.14 115.64 111.88 1g6r s THR 68 Ca -0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1g6r s THR 68 Cb -0.02 -1.68 -0.10 0.00 0.01 0.00 0.00 72.50 70.72 1g6r s THR 68 CO 0.00 0.54 1.23 -1.83 -0.69 0.00 0.00 174.62 173.87 1g6r s GLU 69 N 0.18 4.46 0.28 4.92 -1.05 -1.26 -0.79 118.70 125.44 1g6r s GLU 69 Ca -0.13 2.04 -0.19 0.00 -0.15 0.00 0.00 54.97 56.55 1g6r s GLU 69 Cb -0.16 -3.13 0.07 0.00 -0.44 0.00 0.00 34.13 30.47 1g6r s GLU 69 CO 0.06 -0.06 0.93 1.97 0.95 0.00 0.00 175.26 179.12 1g6r n PHE 70 N 1.24 -1.80 -3.50 4.83 -1.74 0.54 -4.90 117.46 112.13 1g6r n PHE 70 Ca 0.01 -1.53 -0.18 0.00 -0.56 0.00 0.00 57.45 55.18 1g6r n PHE 70 Cb 0.43 0.76 -0.13 0.00 1.52 0.00 0.00 39.48 42.06 1g6r n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1g6r s THR 71 N -2.07 -0.33 0.41 1.97 2.01 -1.26 0.21 115.64 116.58 1g6r s THR 71 Ca 0.20 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1g6r s THR 71 Cb -0.04 -0.67 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 1g6r s THR 71 CO 0.08 -0.19 1.43 -2.16 -0.69 0.00 0.00 174.62 173.09 1g6r s PRO 72 N 2.33 3.90 -0.35 4.92 0.04 -1.26 -4.88 135.00 139.70 1g6r s PRO 72 Ca 0.07 2.43 0.03 0.00 0.04 0.00 0.00 61.00 63.57 1g6r s PRO 72 Cb -0.16 -2.80 0.16 0.00 0.04 0.00 0.00 34.50 31.74 1g6r s PRO 72 CO -0.12 -0.65 0.39 -0.08 0.04 0.00 0.00 177.00 176.59 1g6r s THR 73 N -1.18 -0.45 0.00 1.26 -1.32 -1.26 -2.53 115.64 110.16 1g6r s THR 73 Ca 0.57 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1g6r s THR 73 Cb -0.44 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1g6r s THR 73 CO 0.58 -0.46 0.00 1.21 -2.21 0.00 0.00 174.62 173.73 1g6r n GLU 74 N 4.60 0.00 0.01 7.08 4.07 -1.26 -2.02 120.64 133.12 1g6r n GLU 74 Ca 0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.17 1g6r n GLU 74 Cb 0.47 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1g6r n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g6r h THR 75 N 0.00 0.00 -2.05 6.31 1.03 -2.03 -3.48 112.91 112.70 1g6r h THR 75 Ca 0.00 -0.18 -0.43 0.00 -0.01 0.00 0.00 66.41 65.79 1g6r h THR 75 Cb 0.00 0.00 0.23 0.00 -1.07 0.00 0.00 68.15 67.31 1g6r h THR 75 CO 0.00 0.00 -1.24 -0.90 -0.01 0.00 0.00 175.52 173.37 1g6r n ASP 76 N -2.67 -2.55 -4.19 0.00 3.85 -0.86 -5.05 116.55 105.08 1g6r n ASP 76 Ca -0.01 -0.15 -0.12 0.00 -0.71 0.00 0.00 54.79 53.80 1g6r n ASP 76 Cb 0.02 -0.86 -0.10 0.00 -1.35 0.00 0.00 41.12 38.84 1g6r n ASP 76 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1g6r s THR 77 N -2.18 0.01 0.01 2.12 -4.23 -1.26 -4.83 115.64 105.29 1g6r s THR 77 Ca 0.50 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1g6r s THR 77 Cb -0.07 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1g6r s THR 77 CO 0.62 -0.03 0.04 -0.31 -0.54 0.00 0.00 174.62 174.40 1g6r s TYR 78 N -4.15 0.16 0.21 3.99 1.51 -1.26 -0.51 117.35 117.32 1g6r s TYR 78 Ca 0.37 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.87 1g6r s TYR 78 Cb 0.07 -0.13 0.04 0.00 -0.11 0.00 0.00 41.96 41.83 1g6r s TYR 78 CO 0.11 -0.23 0.63 0.00 -1.11 0.00 0.00 175.55 174.96 1g6r s ALA 79 N -1.41 -1.32 -0.09 3.71 0.00 -0.95 -0.29 121.76 121.41 1g6r s ALA 79 Ca -0.15 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1g6r s ALA 79 Cb -0.09 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1g6r s ALA 79 CO 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 175.76 174.69 1g6r s ARG 81 N 0.51 3.52 0.17 0.00 3.52 0.34 0.25 118.95 127.27 1g6r s ARG 81 Ca -0.16 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 54.92 1g6r s ARG 81 Cb -0.17 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1g6r s ARG 81 CO 0.06 0.14 -0.15 0.14 -0.81 0.00 0.00 175.30 174.68 1g6r s VAL 82 N 0.60 1.65 -0.04 7.11 -7.23 0.29 0.18 120.40 122.96 1g6r s VAL 82 Ca -0.04 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1g6r s VAL 82 Cb -0.15 -1.86 0.03 0.00 0.56 0.00 0.00 36.38 34.96 1g6r s VAL 82 CO 0.03 -0.47 0.01 -0.75 -0.31 0.00 0.00 175.10 173.60 1g6r s LYS 83 N -3.16 0.31 -0.13 4.82 2.20 0.49 -1.23 119.74 123.03 1g6r s LYS 83 Ca 0.17 0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 1g6r s LYS 83 Cb -0.03 -0.54 0.06 0.00 -1.51 0.00 0.00 37.83 35.80 1g6r s LYS 83 CO 0.06 -0.17 0.30 -1.58 -0.36 0.00 0.00 175.35 173.59 1g6r s HIS 84 N 1.23 -0.45 0.36 4.03 2.46 -1.26 0.45 115.29 122.11 1g6r s HIS 84 Ca -0.07 1.00 0.14 0.00 0.47 0.00 0.00 55.06 56.61 1g6r s HIS 84 Cb -0.13 0.09 0.48 0.00 -0.13 0.00 0.00 32.58 32.88 1g6r s HIS 84 CO -0.02 -0.31 0.75 -0.25 -2.47 0.00 0.00 174.74 172.43 1g6r n ASP 85 N 4.66 0.00 0.00 9.88 8.00 -1.26 -2.73 116.55 135.10 1g6r n ASP 85 Ca -0.18 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1g6r n ASP 85 Cb 0.52 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1g6r n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1g6r n SER 86 N -2.35 0.00 -4.60 -2.24 3.41 -1.26 -4.80 113.62 101.78 1g6r n SER 86 Ca 0.12 0.03 -0.55 0.00 -0.26 0.00 0.00 58.87 58.22 1g6r n SER 86 Cb 0.88 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.76 1g6r n SER 86 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1g6r n MET 87 N -0.07 0.88 0.32 4.33 0.00 -1.10 -4.90 117.12 116.57 1g6r n MET 87 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 57.70 57.84 1g6r n MET 87 Cb 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 33.22 31.20 1g6r n MET 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1g6r h ALA 88 N 4.66 -1.17 -2.85 3.17 0.00 -1.87 -3.42 119.26 117.77 1g6r h ALA 88 Ca -0.48 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 53.64 1g6r h ALA 88 Cb 1.35 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 1g6r h ALA 88 CO 0.79 -1.18 -0.22 -1.21 0.00 0.00 0.00 179.25 177.43 1g6r s GLU 89 N -5.68 4.12 0.52 0.00 0.41 -1.26 -5.04 118.70 111.77 1g6r s GLU 89 Ca -0.17 0.33 -0.19 0.00 -0.41 0.00 0.00 54.97 54.53 1g6r s GLU 89 Cb 0.04 -3.34 -0.10 0.00 -1.78 0.00 0.00 34.13 28.95 1g6r s GLU 89 CO 0.56 0.42 0.49 -2.30 -0.49 0.00 0.00 175.26 173.93 1g6r n PRO 90 N 2.83 0.51 -5.13 0.39 -0.02 -1.26 -4.96 135.00 127.35 1g6r n PRO 90 Ca -0.11 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 1g6r n PRO 90 Cb 0.52 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1g6r n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1g6r s LYS 91 N -1.84 2.21 0.22 -0.52 2.20 -0.37 -4.98 119.74 116.67 1g6r s LYS 91 Ca 0.66 -0.87 0.10 0.00 -0.36 0.00 0.00 55.97 55.50 1g6r s LYS 91 Cb -0.50 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 1g6r s LYS 91 CO 0.57 0.58 -0.19 -0.08 -0.36 0.00 0.00 175.35 175.86 1g6r s THR 92 N -0.67 2.12 -0.17 3.43 -1.32 -1.25 0.10 115.64 117.88 1g6r s THR 92 Ca 0.11 -2.20 -0.09 0.00 -1.21 0.00 0.00 61.69 58.30 1g6r s THR 92 Cb -0.10 -2.11 0.06 0.00 -1.51 0.00 0.00 72.50 68.84 1g6r s THR 92 CO -0.00 -0.39 0.41 -0.69 -2.21 0.00 0.00 174.62 171.73 1g6r s VAL 93 N -2.42 -0.02 0.04 5.08 1.01 0.14 -4.92 120.40 119.30 1g6r s VAL 93 Ca 0.24 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1g6r s VAL 93 Cb -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.67 1g6r s VAL 93 CO 0.10 0.04 0.46 -0.31 0.00 0.00 0.00 175.10 175.39 1g6r s TYR 94 N 1.35 3.73 -0.21 5.22 1.51 -1.26 0.16 117.35 127.86 1g6r s TYR 94 Ca -0.09 1.06 -0.28 0.00 -1.01 0.00 0.00 57.07 56.75 1g6r s TYR 94 Cb -0.08 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.38 1g6r s TYR 94 CO -0.12 0.61 2.05 -0.46 -1.11 0.00 0.00 175.55 176.51 1g6r s TRP 95 N -1.14 1.39 -0.67 2.71 -0.00 0.60 -4.89 118.94 116.96 1g6r s TRP 95 Ca 0.27 0.42 -0.05 0.00 -0.00 0.00 0.00 56.10 56.74 1g6r s TRP 95 Cb -0.17 -4.01 -0.03 0.00 -0.00 0.00 0.00 33.47 29.26 1g6r s TRP 95 CO 0.16 -3.95 2.93 -3.47 -0.00 0.00 0.00 176.95 172.61 1g6r n ASP 96 N 10.57 6.78 0.00 5.86 -0.08 -1.26 -4.84 116.55 133.57 1g6r n ASP 96 Ca 0.26 -2.93 0.00 0.00 -1.51 0.00 0.00 54.79 50.61 1g6r n ASP 96 Cb 0.45 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1g6r n ASP 96 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1g6r n ARG 97 N 1.79 0.00 -3.28 -0.67 0.63 -1.26 -2.80 116.66 111.07 1g6r n ARG 97 Ca 0.54 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 57.07 1g6r n ARG 97 Cb 0.54 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.43 1g6r n ARG 97 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1g6r n ASP 98 N 0.00 5.42 0.00 6.15 3.85 -1.26 -4.88 116.55 125.83 1g6r n ASP 98 Ca 0.00 -3.26 0.00 0.00 -0.71 0.00 0.00 54.79 50.82 1g6r n ASP 98 Cb 0.00 -1.19 0.00 0.00 -1.35 0.00 0.00 41.12 38.58 1g6r n ASP 98 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99