#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7w s GLN 2 N 0.00 3.97 -0.15 9.51 -2.07 -1.26 -4.80 119.66 124.87 1s7w s GLN 2 Ca 0.00 0.54 -0.02 0.00 -1.82 0.00 0.00 55.36 54.06 1s7w s GLN 2 Cb 0.00 -2.69 -0.02 0.00 -1.09 0.00 0.00 33.01 29.22 1s7w s GLN 2 CO 0.00 0.32 -0.09 0.15 -1.32 0.00 0.00 175.29 174.35 1s7w s LYS 3 N -2.52 3.44 0.09 9.60 1.02 -0.51 -4.92 119.74 125.93 1s7w s LYS 3 Ca 0.46 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 1s7w s LYS 3 Cb -0.13 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.36 1s7w s LYS 3 CO 0.19 0.13 0.94 -0.08 -0.92 0.00 0.00 175.35 175.62 1s7w s THR 4 N 0.59 4.57 0.12 2.17 -1.32 -1.26 -2.00 115.64 118.51 1s7w s THR 4 Ca -0.06 2.02 -0.31 0.00 -1.21 0.00 0.00 61.69 62.13 1s7w s THR 4 Cb -0.15 -4.30 -0.08 0.00 -1.51 0.00 0.00 72.50 66.46 1s7w s THR 4 CO 0.03 0.30 1.46 -2.84 -2.21 0.00 0.00 174.62 171.36 1s7w s PRO 5 N 0.11 4.28 0.21 7.08 0.02 -1.26 -4.55 135.00 140.89 1s7w s PRO 5 Ca 0.46 2.17 -0.19 0.00 0.02 0.00 0.00 61.00 63.47 1s7w s PRO 5 Cb -0.23 -3.26 -0.08 0.00 0.02 0.00 0.00 34.50 30.96 1s7w s PRO 5 CO 0.29 -0.51 0.69 -0.65 -0.33 0.00 0.00 177.00 176.49 1s7w s GLN 6 N 1.28 4.20 -0.07 5.54 -1.52 -0.39 -4.90 119.66 123.80 1s7w s GLN 6 Ca 0.67 0.80 -0.02 0.00 -1.95 0.00 0.00 55.36 54.86 1s7w s GLN 6 Cb -0.39 -2.89 0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1s7w s GLN 6 CO 0.30 0.41 0.02 0.42 -0.25 0.00 0.00 175.29 176.19 1s7w s ILE 7 N -1.51 0.26 0.00 1.08 1.01 -1.26 -0.89 121.20 119.89 1s7w s ILE 7 Ca 0.42 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.29 1s7w s ILE 7 Cb -0.16 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1s7w s ILE 7 CO 0.21 0.23 -0.14 -1.10 0.00 0.00 0.00 174.94 174.14 1s7w s GLN 8 N 2.02 2.35 -0.10 2.79 -0.21 -0.50 -4.99 119.66 121.01 1s7w s GLN 8 Ca 0.05 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1s7w s GLN 8 Cb -0.12 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.55 1s7w s GLN 8 CO -0.05 0.59 -0.21 0.08 -2.12 0.00 0.00 175.29 173.58 1s7w s VAL 9 N -0.88 1.84 0.01 1.09 1.01 -1.26 -1.12 120.40 121.09 1s7w s VAL 9 Ca 0.14 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1s7w s VAL 9 Cb -0.11 -1.62 0.10 0.00 0.00 0.00 0.00 36.38 34.75 1s7w s VAL 9 CO 0.04 0.51 1.05 -0.72 0.00 0.00 0.00 175.10 175.98 1s7w s TYR 10 N 0.58 -0.18 0.10 5.22 1.13 -0.76 -4.58 117.35 118.87 1s7w s TYR 10 Ca -0.14 0.01 -0.00 0.00 -1.41 0.00 0.00 57.07 55.52 1s7w s TYR 10 Cb -0.17 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1s7w s TYR 10 CO 0.04 -0.52 0.27 -1.54 -2.51 0.00 0.00 175.55 171.29 1s7w s SER 11 N -2.68 6.38 0.10 -0.18 1.04 -1.26 0.12 113.70 117.21 1s7w s SER 11 Ca 0.10 0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.69 1s7w s SER 11 Cb 0.00 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 64.07 1s7w s SER 11 CO -0.04 0.11 1.47 -0.09 0.98 0.00 0.00 173.24 175.67 1s7w h ARG 12 N 2.76 0.64 -6.20 4.02 2.43 -1.50 -3.45 114.38 113.08 1s7w h ARG 12 Ca -0.46 -0.28 -0.55 0.00 -0.81 0.00 0.00 59.98 57.88 1s7w h ARG 12 Cb 1.17 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1s7w h ARG 12 CO 0.73 0.86 -0.62 -1.01 -1.51 0.00 0.00 179.97 178.43 1s7w s HIS 13 N -4.60 2.79 -0.03 2.20 3.76 -1.26 -5.03 115.29 113.11 1s7w s HIS 13 Ca -0.13 -0.20 -0.35 0.00 -0.15 0.00 0.00 55.06 54.24 1s7w s HIS 13 Cb 0.09 -1.24 -0.13 0.00 1.11 0.00 0.00 32.58 32.40 1s7w s HIS 13 CO 0.80 0.60 1.74 -2.30 -0.85 0.00 0.00 174.74 174.74 1s7w n PRO 14 N -0.96 1.98 -1.42 8.40 -0.02 -1.26 -4.89 135.00 136.83 1s7w n PRO 14 Ca -0.07 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1s7w n PRO 14 Cb 0.59 -2.51 0.09 0.00 -0.02 0.00 0.00 33.50 31.64 1s7w n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s7w s PRO 15 N 2.90 2.24 -0.30 0.52 0.04 -1.26 -5.03 135.00 134.11 1s7w s PRO 15 Ca 0.89 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 1s7w s PRO 15 Cb -0.75 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.08 1s7w s PRO 15 CO 0.49 -1.70 0.77 -2.00 0.04 0.00 0.00 177.00 174.60 1s7w s GLU 16 N -4.24 0.46 0.20 4.56 2.12 -1.26 -5.12 118.70 115.41 1s7w s GLU 16 Ca 0.68 1.03 -0.33 0.00 0.36 0.00 0.00 54.97 56.71 1s7w s GLU 16 Cb -0.23 0.60 -0.13 0.00 0.26 0.00 0.00 34.13 34.63 1s7w s GLU 16 CO 0.47 -0.28 1.61 0.09 -0.54 0.00 0.00 175.26 176.61 1s7w n ASN 17 N 5.33 3.44 0.00 -1.70 3.02 -1.26 -1.68 115.26 122.40 1s7w n ASN 17 Ca -0.08 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1s7w n ASN 17 Cb 0.51 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1s7w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7w n GLY 18 N 3.32 1.25 3.42 7.41 0.00 -0.53 -5.01 105.19 115.05 1s7w n GLY 18 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1s7w n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7w s LYS 19 N -0.72 3.28 -0.08 1.61 2.20 -0.68 -4.96 119.74 120.39 1s7w s LYS 19 Ca 0.00 -0.75 -0.39 0.00 -0.36 0.00 0.00 55.97 54.46 1s7w s LYS 19 Cb 0.00 -3.53 -0.19 0.00 -1.51 0.00 0.00 37.83 32.60 1s7w s LYS 19 CO 0.00 -0.43 1.11 -2.30 -0.36 0.00 0.00 175.35 173.38 1s7w n PRO 20 N 4.96 0.00 -3.44 4.03 -0.02 -1.26 -4.32 135.00 134.94 1s7w n PRO 20 Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 1s7w n PRO 20 Cb 0.49 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 1s7w n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s7w n ASN 21 N 1.85 -1.15 -4.10 2.55 2.85 0.15 -5.01 115.26 112.41 1s7w n ASN 21 Ca 0.21 -2.47 -0.28 0.00 -0.11 0.00 0.00 54.58 51.93 1s7w n ASN 21 Cb 0.05 2.11 -0.17 0.00 1.24 0.00 0.00 39.78 43.02 1s7w n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1s7w s ILE 22 N -2.69 1.50 -0.23 -1.44 -1.09 -1.26 -2.36 121.20 113.62 1s7w s ILE 22 Ca 0.22 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 1s7w s ILE 22 Cb -0.01 -1.33 -0.05 0.00 -1.58 0.00 0.00 42.46 39.49 1s7w s ILE 22 CO 0.16 0.44 0.19 -0.22 -1.23 0.00 0.00 174.94 174.27 1s7w s LEU 23 N 0.58 4.12 0.03 2.97 2.96 -0.34 -1.10 118.68 127.90 1s7w s LEU 23 Ca -0.16 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1s7w s LEU 23 Cb -0.17 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1s7w s LEU 23 CO 0.05 0.05 0.14 0.20 -1.32 0.00 0.00 176.35 175.48 1s7w s ASN 24 N 1.04 6.02 -0.24 3.68 0.01 0.12 -1.47 114.94 124.11 1s7w s ASN 24 Ca 0.09 0.20 -0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1s7w s ASN 24 Cb -0.14 -1.79 0.08 0.00 0.41 0.00 0.00 41.25 39.81 1s7w s ASN 24 CO 0.05 0.22 0.07 0.00 -1.51 0.00 0.00 177.10 175.93 1s7w s TYR 26 N 1.86 3.12 -0.20 0.00 5.04 -0.28 -1.03 117.35 125.86 1s7w s TYR 26 Ca 0.03 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1s7w s TYR 26 Cb -0.17 -2.28 0.04 0.00 0.35 0.00 0.00 41.96 39.90 1s7w s TYR 26 CO -0.17 -0.31 -0.13 0.08 -1.34 0.00 0.00 175.55 173.68 1s7w s VAL 27 N 1.65 1.81 0.39 3.14 1.01 -0.44 -1.41 120.40 126.56 1s7w s VAL 27 Ca 0.07 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1s7w s VAL 27 Cb -0.15 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1s7w s VAL 27 CO 0.06 0.26 0.04 0.42 0.00 0.00 0.00 175.10 175.87 1s7w s THR 28 N 1.34 1.49 -1.03 3.92 -4.23 -0.07 -1.20 115.64 115.85 1s7w s THR 28 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1s7w s THR 28 Cb -0.16 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1s7w s THR 28 CO -0.09 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.66 1s7w n GLN 29 N -0.90 -0.89 -4.25 3.99 -0.06 -0.69 -1.26 117.38 113.33 1s7w n GLN 29 Ca -0.06 0.63 -0.27 0.00 -2.00 0.00 0.00 57.00 55.30 1s7w n GLN 29 Cb 0.67 -4.73 -0.09 0.00 -4.06 0.00 0.00 30.24 22.03 1s7w n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1s7w s PHE 30 N -2.54 2.73 -0.28 3.69 -0.71 -1.05 -4.03 117.98 115.80 1s7w s PHE 30 Ca 0.00 -0.18 -0.22 0.00 -1.04 0.00 0.00 56.93 55.49 1s7w s PHE 30 Cb 0.00 -1.33 0.09 0.00 -1.21 0.00 0.00 43.02 40.56 1s7w s PHE 30 CO 0.00 0.51 0.78 -1.58 -1.34 0.00 0.00 175.22 173.59 1s7w s HIS 31 N -1.70 -0.79 1.03 3.49 2.46 -0.85 -1.88 115.29 117.06 1s7w s HIS 31 Ca 0.26 1.80 -0.15 0.00 0.47 0.00 0.00 55.06 57.44 1s7w s HIS 31 Cb -0.09 0.38 0.20 0.00 -0.13 0.00 0.00 32.58 32.94 1s7w s HIS 31 CO 0.17 -0.38 1.14 -1.25 -2.47 0.00 0.00 174.74 171.94 1s7w s PRO 32 N 0.72 0.17 0.31 2.88 0.04 -1.26 -1.43 135.00 136.44 1s7w s PRO 32 Ca -0.02 0.16 0.26 0.00 0.04 0.00 0.00 61.00 61.44 1s7w s PRO 32 Cb -0.05 -1.74 1.03 0.00 0.04 0.00 0.00 34.50 33.78 1s7w s PRO 32 CO -0.06 -2.83 1.77 -1.00 0.04 0.00 0.00 177.00 174.92 1s7w h PRO 33 N -1.95 0.00 -6.45 0.56 0.13 -2.00 -3.43 132.00 118.85 1s7w h PRO 33 Ca -0.50 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 1s7w h PRO 33 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1s7w h PRO 33 CO 0.50 0.00 0.85 -1.58 -0.23 0.00 0.00 178.00 177.54 1s7w s HIS 34 N -3.36 2.87 -0.03 1.56 2.46 -1.26 -5.01 115.29 112.52 1s7w s HIS 34 Ca 0.04 0.72 -0.21 0.00 0.47 0.00 0.00 55.06 56.09 1s7w s HIS 34 Cb 0.09 -3.76 0.04 0.00 -0.13 0.00 0.00 32.58 28.83 1s7w s HIS 34 CO 0.44 -2.83 0.45 -1.50 -2.47 0.00 0.00 174.74 168.83 1s7w s ILE 35 N 2.03 0.04 -0.10 0.89 2.07 -1.26 -4.67 121.20 120.19 1s7w s ILE 35 Ca 0.67 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 59.65 1s7w s ILE 35 Cb -0.36 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 1s7w s ILE 35 CO 0.29 -0.16 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.35 1s7w s GLU 36 N -1.24 3.02 -0.06 3.50 2.02 -0.39 -5.02 118.70 120.53 1s7w s GLU 36 Ca -0.12 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1s7w s GLU 36 Cb -0.03 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1s7w s GLU 36 CO 0.06 0.27 -0.07 0.42 0.02 0.00 0.00 175.26 175.96 1s7w s ILE 37 N 0.16 0.76 -0.02 -1.63 1.01 -1.26 -1.01 121.20 119.20 1s7w s ILE 37 Ca -0.11 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1s7w s ILE 37 Cb -0.16 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1s7w s ILE 37 CO 0.06 0.28 -0.17 -1.10 0.00 0.00 0.00 174.94 174.01 1s7w s GLN 38 N 0.91 1.51 -0.03 2.79 -0.21 -0.30 -5.00 119.66 119.32 1s7w s GLN 38 Ca -0.11 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.68 1s7w s GLN 38 Cb -0.15 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.43 1s7w s GLN 38 CO 0.01 0.33 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.80 1s7w s MET 39 N -0.25 2.67 0.00 2.91 -1.94 -1.26 -0.48 119.30 120.94 1s7w s MET 39 Ca 0.03 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.44 1s7w s MET 39 Cb -0.08 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1s7w s MET 39 CO 0.00 0.63 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.96 1s7w s LEU 40 N -1.15 2.07 -0.21 -0.03 1.43 -0.42 -0.51 118.68 119.86 1s7w s LEU 40 Ca 0.15 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1s7w s LEU 40 Cb -0.11 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.25 1s7w s LEU 40 CO 0.05 0.19 -0.15 -0.75 0.23 0.00 0.00 176.35 175.92 1s7w s LYS 41 N -0.60 2.78 -1.59 1.70 2.20 0.67 -2.16 119.74 122.75 1s7w s LYS 41 Ca 0.06 -0.98 -0.16 0.00 -0.36 0.00 0.00 55.97 54.53 1s7w s LYS 41 Cb -0.07 -2.72 0.13 0.00 -1.51 0.00 0.00 37.83 33.65 1s7w s LYS 41 CO -0.00 -0.33 0.79 0.09 -0.36 0.00 0.00 175.35 175.54 1s7w n ASN 42 N 4.58 -3.77 0.00 1.43 3.02 -0.20 -1.37 115.26 118.95 1s7w n ASN 42 Ca -0.18 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1s7w n ASN 42 Cb 0.48 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 1s7w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7w n GLY 43 N -1.42 0.82 3.73 7.41 0.00 -1.26 -5.02 105.19 109.45 1s7w n GLY 43 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1s7w n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7w s LYS 44 N -0.23 3.78 -0.06 1.61 1.02 -0.47 -5.04 119.74 120.35 1s7w s LYS 44 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 1s7w s LYS 44 Cb 0.00 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1s7w s LYS 44 CO 0.00 0.46 1.96 0.21 -0.92 0.00 0.00 175.35 177.06 1s7w s LYS 45 N -0.15 3.87 -0.02 1.68 2.20 -1.26 -0.24 119.74 125.82 1s7w s LYS 45 Ca 0.09 2.33 -0.30 0.00 -0.36 0.00 0.00 55.97 57.72 1s7w s LYS 45 Cb -0.12 -4.18 -0.06 0.00 -1.51 0.00 0.00 37.83 31.97 1s7w s LYS 45 CO 0.01 -1.25 1.52 0.42 -0.36 0.00 0.00 175.35 175.68 1s7w s ILE 46 N 5.41 3.61 0.15 5.43 1.01 0.33 -4.89 121.20 132.25 1s7w s ILE 46 Ca 0.88 0.90 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 1s7w s ILE 46 Cb -0.37 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1s7w s ILE 46 CO 0.37 -0.04 1.73 1.55 0.00 0.00 0.00 174.94 178.55 1s7w h PRO 47 N 8.56 0.66 -4.77 2.79 0.13 -1.92 -3.40 132.00 134.04 1s7w h PRO 47 Ca -0.38 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1s7w h PRO 47 Cb 1.17 -0.12 -0.30 0.00 0.13 0.00 0.00 31.00 31.89 1s7w h PRO 47 CO 0.93 0.56 -0.66 0.15 -0.23 0.00 0.00 178.00 178.75 1s7w s LYS 48 N -5.71 2.70 -0.11 0.86 1.02 -1.26 -5.05 119.74 112.18 1s7w s LYS 48 Ca -0.13 -1.10 -0.00 0.00 0.02 0.00 0.00 55.97 54.75 1s7w s LYS 48 Cb 0.11 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1s7w s LYS 48 CO 0.75 -0.56 -0.09 0.08 -0.92 0.00 0.00 175.35 174.61 1s7w s VAL 49 N 1.37 1.10 0.08 3.17 1.01 -1.26 -4.73 120.40 121.14 1s7w s VAL 49 Ca -0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1s7w s VAL 49 Cb -0.19 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1s7w s VAL 49 CO 0.00 0.38 1.03 -1.61 0.00 0.00 0.00 175.10 174.91 1s7w s GLU 50 N 1.58 4.59 -0.23 2.72 0.41 0.06 -4.89 118.70 122.94 1s7w s GLU 50 Ca 0.03 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.16 1s7w s GLU 50 Cb -0.13 -3.38 0.05 0.00 -1.78 0.00 0.00 34.13 28.89 1s7w s GLU 50 CO -0.07 0.03 -0.13 1.41 -0.49 0.00 0.00 175.26 176.01 1s7w s MET 51 N 0.40 2.38 0.87 1.61 1.75 -1.26 -1.03 119.30 124.02 1s7w s MET 51 Ca 0.51 -1.17 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 1s7w s MET 51 Cb -0.25 -2.76 0.12 0.00 2.84 0.00 0.00 34.83 34.78 1s7w s MET 51 CO 0.30 -0.47 1.17 -1.54 -0.65 0.00 0.00 175.02 173.83 1s7w s SER 52 N 1.18 3.17 0.83 1.11 1.04 -0.56 -4.99 113.70 115.47 1s7w s SER 52 Ca -0.05 2.26 -0.12 0.00 0.48 0.00 0.00 55.95 58.52 1s7w s SER 52 Cb -0.18 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.45 1s7w s SER 52 CO -0.07 -2.94 1.12 -1.81 0.98 0.00 0.00 173.24 170.52 1s7w s ASP 53 N -2.48 4.25 0.02 7.02 1.01 -1.26 -4.70 116.67 120.52 1s7w s ASP 53 Ca 0.69 1.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.74 1s7w s ASP 53 Cb -0.25 -1.76 -0.10 0.00 1.01 0.00 0.00 42.92 41.83 1s7w s ASP 53 CO 0.55 -2.10 1.94 0.80 0.21 0.00 0.00 175.17 176.57 1s7w n MET 54 N -3.49 2.71 -4.29 8.23 0.00 -1.26 -4.84 117.12 114.18 1s7w n MET 54 Ca 0.07 0.99 -0.15 0.00 0.00 0.00 0.00 57.70 58.61 1s7w n MET 54 Cb 0.58 -2.92 -0.10 0.00 0.00 0.00 0.00 33.22 30.78 1s7w n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s7w s SER 55 N 4.18 1.72 0.08 6.12 0.01 -1.22 -5.06 113.70 119.53 1s7w s SER 55 Ca 0.89 -1.14 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1s7w s SER 55 Cb -0.50 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 1s7w s SER 55 CO 0.44 -0.45 -0.06 0.72 0.41 0.00 0.00 173.24 174.29 1s7w s PHE 56 N -3.42 0.79 0.61 2.43 -0.12 -1.26 -1.63 117.98 115.38 1s7w s PHE 56 Ca 0.23 -0.85 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 1s7w s PHE 56 Cb 0.05 -0.47 0.08 0.00 -0.63 0.00 0.00 43.02 42.04 1s7w s PHE 56 CO 0.05 -0.17 0.84 -1.12 -0.05 0.00 0.00 175.22 174.77 1s7w s SER 57 N -2.73 4.92 0.00 1.98 0.01 0.51 -4.95 113.70 113.43 1s7w s SER 57 Ca 0.07 -0.38 0.18 0.00 1.31 0.00 0.00 55.95 57.12 1s7w s SER 57 Cb 0.03 -0.25 0.76 0.00 0.21 0.00 0.00 66.02 66.77 1s7w s SER 57 CO -0.04 -1.42 1.57 2.29 0.41 0.00 0.00 173.24 176.04 1s7w n LYS 58 N -2.46 0.00 -0.24 12.44 2.85 -1.26 -0.85 118.16 128.64 1s7w n LYS 58 Ca 0.12 0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.66 1s7w n LYS 58 Cb 0.60 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.70 1s7w n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1s7w n ASP 59 N -1.50 2.62 0.00 -5.58 5.68 -1.26 -4.94 116.55 111.57 1s7w n ASP 59 Ca 0.04 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1s7w n ASP 59 Cb 0.21 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1s7w n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s7w n TRP 60 N 0.93 0.00 -2.83 2.11 7.02 -0.03 -5.03 117.44 119.61 1s7w n TRP 60 Ca 0.16 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.31 1s7w n TRP 60 Cb 0.42 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.24 1s7w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1s7w s SER 61 N -2.13 6.95 0.21 -0.99 1.04 -1.26 -4.64 113.70 112.88 1s7w s SER 61 Ca 0.00 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.06 1s7w s SER 61 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 1s7w s SER 61 CO 0.00 -0.35 0.46 -0.36 0.98 0.00 0.00 173.24 173.98 1s7w s PHE 62 N -2.16 3.47 0.05 5.02 0.08 -0.79 -0.37 117.98 123.29 1s7w s PHE 62 Ca 0.61 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 58.26 1s7w s PHE 62 Cb -0.09 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1s7w s PHE 62 CO 0.13 0.32 -0.01 1.52 -0.10 0.00 0.00 175.22 177.08 1s7w s TYR 63 N -1.85 0.47 -0.15 0.36 1.13 -0.64 -1.70 117.35 114.96 1s7w s TYR 63 Ca 0.43 -0.98 -0.20 0.00 -1.41 0.00 0.00 57.07 54.90 1s7w s TYR 63 Cb -0.11 -0.35 0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1s7w s TYR 63 CO 0.26 -0.38 0.53 -1.50 -2.51 0.00 0.00 175.55 171.96 1s7w s ILE 64 N -3.70 0.01 -0.24 -3.49 2.07 -0.34 -3.39 121.20 112.12 1s7w s ILE 64 Ca 0.05 -0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1s7w s ILE 64 Cb 0.06 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.90 1s7w s ILE 64 CO -0.09 -0.04 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.61 1s7w s LEU 65 N -0.16 3.11 0.05 8.50 2.96 -1.26 -1.32 118.68 130.55 1s7w s LEU 65 Ca -0.04 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 52.89 1s7w s LEU 65 Cb -0.03 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.95 1s7w s LEU 65 CO 0.03 -0.12 0.41 0.00 -1.32 0.00 0.00 176.35 175.35 1s7w s ALA 66 N 1.31 3.70 0.08 5.97 0.00 -0.20 -1.50 121.76 131.13 1s7w s ALA 66 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 1s7w s ALA 66 Cb -0.16 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1s7w s ALA 66 CO -0.05 0.52 0.19 -3.38 0.00 0.00 0.00 175.76 173.04 1s7w s HIS 67 N -1.27 0.14 0.03 0.00 -0.00 -0.20 -0.79 115.29 113.21 1s7w s HIS 67 Ca 0.29 -0.56 -0.19 0.00 -0.00 0.00 0.00 55.06 54.61 1s7w s HIS 67 Cb -0.15 -0.06 0.04 0.00 -0.00 0.00 0.00 32.58 32.41 1s7w s HIS 67 CO 0.16 -0.53 0.42 -0.08 -0.00 0.00 0.00 174.74 174.71 1s7w s THR 68 N -3.75 0.05 0.42 -5.38 -1.32 -0.54 -0.76 115.64 104.36 1s7w s THR 68 Ca 0.04 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.84 1s7w s THR 68 Cb 0.04 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 70.03 1s7w s THR 68 CO -0.10 -0.23 1.39 -1.61 -2.21 0.00 0.00 174.62 171.85 1s7w s GLU 69 N -2.29 3.85 0.05 7.08 2.02 -1.26 -1.19 118.70 126.95 1s7w s GLU 69 Ca -0.06 2.34 -0.27 0.00 0.02 0.00 0.00 54.97 57.00 1s7w s GLU 69 Cb -0.01 -2.74 0.09 0.00 0.10 0.00 0.00 34.13 31.57 1s7w s GLU 69 CO -0.01 -0.66 0.75 -0.59 0.02 0.00 0.00 175.26 174.77 1s7w s PHE 70 N -1.21 -0.47 -0.30 1.61 -0.71 -0.99 -4.81 117.98 111.09 1s7w s PHE 70 Ca 0.58 0.42 0.03 0.00 -1.04 0.00 0.00 56.93 56.92 1s7w s PHE 70 Cb -0.42 0.52 0.08 0.00 -1.21 0.00 0.00 43.02 41.99 1s7w s PHE 70 CO 0.54 -0.67 -0.03 0.99 -1.34 0.00 0.00 175.22 174.72 1s7w s THR 71 N -2.96 2.14 0.57 -4.49 2.01 -1.26 -0.67 115.64 110.97 1s7w s THR 71 Ca 0.01 -1.93 -0.20 0.00 0.31 0.00 0.00 61.69 59.88 1s7w s THR 71 Cb -0.01 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1s7w s THR 71 CO -0.07 -0.32 1.26 -2.16 -0.69 0.00 0.00 174.62 172.63 1s7w s PRO 72 N 1.04 3.05 0.28 4.92 0.04 -1.26 -4.80 135.00 138.27 1s7w s PRO 72 Ca 0.01 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1s7w s PRO 72 Cb -0.19 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1s7w s PRO 72 CO -0.07 -1.18 0.12 0.25 0.04 0.00 0.00 177.00 176.15 1s7w n THR 73 N -1.35 0.00 0.16 1.26 -2.24 -1.26 -1.46 114.28 109.39 1s7w n THR 73 Ca 0.12 -1.67 0.03 0.00 -2.27 0.00 0.00 64.05 60.27 1s7w n THR 73 Cb 0.48 0.63 0.16 0.00 -2.10 0.00 0.00 70.33 69.51 1s7w n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1s7w h GLU 74 N 0.00 0.00 0.00 -0.78 4.81 -1.98 -3.38 114.58 113.25 1s7w h GLU 74 Ca -0.21 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.67 1s7w h GLU 74 Cb 0.85 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 1s7w h GLU 74 CO 0.34 0.48 -2.29 2.41 -0.73 0.00 0.00 179.01 179.21 1s7w n THR 75 N -3.37 1.30 -2.22 0.32 -1.04 -1.26 -4.97 114.28 103.03 1s7w n THR 75 Ca 0.01 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.05 61.04 1s7w n THR 75 Cb 0.64 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.98 1s7w n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7w s ASP 76 N -6.01 6.89 -0.15 8.00 1.01 -1.26 -5.02 116.67 120.13 1s7w s ASP 76 Ca -0.26 2.31 -0.07 0.00 0.71 0.00 0.00 52.55 55.24 1s7w s ASP 76 Cb 0.07 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1s7w s ASP 76 CO 0.58 -0.58 0.10 0.42 0.21 0.00 0.00 175.17 175.90 1s7w s THR 77 N 0.71 5.13 0.06 -1.27 -4.23 -1.26 -4.72 115.64 110.05 1s7w s THR 77 Ca 0.61 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 1s7w s THR 77 Cb -0.36 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1s7w s THR 77 CO 0.33 0.53 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.50 1s7w s TYR 78 N -0.24 2.69 0.15 3.99 1.51 -1.26 -1.03 117.35 123.17 1s7w s TYR 78 Ca 0.09 -0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 55.90 1s7w s TYR 78 Cb -0.12 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1s7w s TYR 78 CO 0.01 0.34 0.25 0.00 -1.11 0.00 0.00 175.55 175.05 1s7w s ALA 79 N -1.05 0.07 -0.02 3.71 0.00 -0.92 -1.29 121.76 122.27 1s7w s ALA 79 Ca 0.17 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1s7w s ALA 79 Cb -0.11 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1s7w s ALA 79 CO 0.09 -0.62 -0.10 0.00 0.00 0.00 0.00 175.76 175.12 1s7w s ARG 81 N 0.08 1.72 -0.11 0.00 3.52 0.37 -0.30 118.95 124.23 1s7w s ARG 81 Ca -0.02 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1s7w s ARG 81 Cb -0.08 -1.64 0.01 0.00 -1.56 0.00 0.00 34.95 31.68 1s7w s ARG 81 CO 0.00 -0.18 -0.20 0.08 -0.81 0.00 0.00 175.30 174.20 1s7w s VAL 82 N 1.39 1.80 -0.17 7.11 1.01 0.77 -1.15 120.40 131.16 1s7w s VAL 82 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1s7w s VAL 82 Cb -0.13 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1s7w s VAL 82 CO -0.05 0.50 -0.09 -0.75 0.00 0.00 0.00 175.10 174.71 1s7w s LYS 83 N 0.71 3.42 -0.01 2.72 2.20 -0.18 -1.37 119.74 127.23 1s7w s LYS 83 Ca -0.11 -0.64 -0.17 0.00 -0.36 0.00 0.00 55.97 54.69 1s7w s LYS 83 Cb -0.16 -2.81 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1s7w s LYS 83 CO 0.02 0.07 0.36 -1.58 -0.36 0.00 0.00 175.35 173.85 1s7w s HIS 84 N 0.77 -0.23 0.52 4.03 2.46 -1.26 -1.27 115.29 120.31 1s7w s HIS 84 Ca -0.03 0.33 0.42 0.00 0.47 0.00 0.00 55.06 56.24 1s7w s HIS 84 Cb -0.15 0.14 2.20 0.00 -0.13 0.00 0.00 32.58 34.64 1s7w s HIS 84 CO 0.02 -0.44 2.28 -0.44 -2.47 0.00 0.00 174.74 173.68 1s7w h ASP 85 N 3.63 0.00 0.56 9.88 3.32 -1.93 -2.26 116.42 129.63 1s7w h ASP 85 Ca -0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1s7w h ASP 85 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1s7w h ASP 85 CO 0.41 0.00 -0.01 0.77 -1.72 0.00 0.00 179.24 178.69 1s7w h SER 86 N 0.00 0.00 -4.56 6.45 4.64 -1.89 -3.43 113.55 114.76 1s7w h SER 86 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1s7w h SER 86 Cb 0.09 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.89 1s7w h SER 86 CO 0.00 0.01 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.05 1s7w s MET 87 N -3.90 2.12 0.21 4.77 -1.94 -0.85 -4.95 119.30 114.76 1s7w s MET 87 Ca -0.02 -0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 53.02 1s7w s MET 87 Cb 0.11 -2.06 0.17 0.00 2.01 0.00 0.00 34.83 35.06 1s7w s MET 87 CO 0.49 0.56 1.55 0.00 -0.01 0.00 0.00 175.02 177.61 1s7w h ALA 88 N 5.45 0.78 -3.56 3.03 0.00 -1.84 -3.43 119.26 119.68 1s7w h ALA 88 Ca -0.43 -0.48 -0.49 0.00 0.00 0.00 0.00 54.91 53.50 1s7w h ALA 88 Cb 1.12 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 1s7w h ALA 88 CO 0.47 0.67 -0.81 -1.21 0.00 0.00 0.00 179.25 178.38 1s7w s GLU 89 N -4.08 0.99 0.49 0.00 0.41 -1.26 -5.09 118.70 110.15 1s7w s GLU 89 Ca -0.07 -1.07 -0.23 0.00 -0.41 0.00 0.00 54.97 53.19 1s7w s GLU 89 Cb 0.12 -1.14 -0.08 0.00 -1.78 0.00 0.00 34.13 31.25 1s7w s GLU 89 CO 0.83 0.26 1.21 -2.30 -0.49 0.00 0.00 175.26 174.77 1s7w n PRO 90 N 1.17 1.61 -4.40 0.39 -0.02 -1.26 -4.91 135.00 127.58 1s7w n PRO 90 Ca -0.20 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1s7w n PRO 90 Cb 0.54 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1s7w n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s7w s LYS 91 N -2.47 3.04 -0.15 -0.52 2.20 -0.47 -4.89 119.74 116.48 1s7w s LYS 91 Ca 0.67 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 1s7w s LYS 91 Cb -0.47 -2.79 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1s7w s LYS 91 CO 0.53 0.65 -0.21 0.99 -0.36 0.00 0.00 175.35 176.96 1s7w s THR 92 N -0.73 2.01 -0.05 3.43 2.01 -1.26 -0.17 115.64 120.89 1s7w s THR 92 Ca 0.11 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.24 1s7w s THR 92 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1s7w s THR 92 CO 0.02 0.54 -0.24 0.54 -0.69 0.00 0.00 174.62 174.79 1s7w s VAL 93 N 1.03 1.92 0.07 3.82 0.11 0.59 -4.96 120.40 122.98 1s7w s VAL 93 Ca -0.02 -1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.92 1s7w s VAL 93 Cb -0.14 -1.62 -0.06 0.00 -1.53 0.00 0.00 36.38 33.03 1s7w s VAL 93 CO -0.07 0.54 0.42 -0.31 -3.33 0.00 0.00 175.10 172.35 1s7w s TYR 94 N -0.20 3.62 0.16 1.54 2.02 -1.26 -0.48 117.35 122.74 1s7w s TYR 94 Ca -0.01 0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 57.25 1s7w s TYR 94 Cb -0.13 -2.21 -0.08 0.00 -0.40 0.00 0.00 41.96 39.14 1s7w s TYR 94 CO 0.03 0.54 1.24 -0.46 -1.57 0.00 0.00 175.55 175.32 1s7w s TRP 95 N -1.34 3.38 -0.18 2.71 -0.00 -0.41 -4.87 118.94 118.23 1s7w s TRP 95 Ca 0.32 1.32 0.01 0.00 -0.00 0.00 0.00 56.10 57.74 1s7w s TRP 95 Cb -0.15 -3.49 0.02 0.00 -0.00 0.00 0.00 33.47 29.86 1s7w s TRP 95 CO 0.17 -1.46 -0.20 0.34 -0.00 0.00 0.00 176.95 175.80 1s7w s ASP 96 N 0.43 3.18 0.55 5.86 -1.08 -1.26 -4.77 116.67 119.58 1s7w s ASP 96 Ca 0.56 -0.64 0.25 0.00 -0.52 0.00 0.00 52.55 52.20 1s7w s ASP 96 Cb -0.33 -1.49 1.58 0.00 -1.46 0.00 0.00 42.92 41.22 1s7w s ASP 96 CO 0.35 0.01 2.19 0.08 0.52 0.00 0.00 175.17 178.31 1s7w h ARG 97 N 7.90 0.00 0.00 4.34 0.11 -1.95 -3.32 114.38 121.46 1s7w h ARG 97 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1s7w h ARG 97 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1s7w h ARG 97 CO 0.63 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 180.48 1s7w n ASP 98 N -4.03 0.00 0.00 0.08 8.00 -1.26 -4.82 116.55 114.53 1s7w n ASP 98 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1s7w n ASP 98 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1s7w n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04