#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 4.42 -0.13 9.51 -0.21 -1.26 -4.69 119.66 127.30 1s7w s GLN 2 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 55.36 57.19 1s7w s GLN 2 Cb 0.00 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.66 1s7w s GLN 2 CO 0.00 -0.28 -0.14 0.15 -2.12 0.00 0.00 175.29 172.90 1s7w s LYS 3 N 1.09 3.36 -0.04 2.91 1.02 -0.65 -4.95 119.74 122.49 1s7w s LYS 3 Ca 0.59 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.70 1s7w s LYS 3 Cb -0.30 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1s7w s LYS 3 CO 0.29 0.21 0.52 -0.08 -0.92 0.00 0.00 175.35 175.37 1s7w s THR 4 N 0.35 5.01 0.39 2.17 -1.32 -1.26 -2.04 115.64 118.95 1s7w s THR 4 Ca -0.12 1.07 -0.27 0.00 -1.21 0.00 0.00 61.69 61.17 1s7w s THR 4 Cb -0.16 -3.85 -0.10 0.00 -1.51 0.00 0.00 72.50 66.88 1s7w s THR 4 CO 0.06 0.43 1.39 -2.16 -2.21 0.00 0.00 174.62 172.12 1s7w s PRO 5 N -0.15 4.04 -0.04 7.08 0.04 -1.26 -4.64 135.00 140.07 1s7w s PRO 5 Ca 0.28 2.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 1s7w s PRO 5 Cb -0.17 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1s7w s PRO 5 CO 0.14 -0.50 0.09 -0.65 0.04 0.00 0.00 177.00 176.12 1s7w s GLN 6 N -2.14 3.16 -0.03 4.56 -1.52 -0.43 -4.94 119.66 118.33 1s7w s GLN 6 Ca 0.55 -0.38 -0.01 0.00 -1.95 0.00 0.00 55.36 53.56 1s7w s GLN 6 Cb -0.42 -2.93 0.03 0.00 -0.22 0.00 0.00 33.01 29.46 1s7w s GLN 6 CO 0.56 0.69 0.04 0.42 -0.25 0.00 0.00 175.29 176.74 1s7w s ILE 7 N -1.11 -0.07 -0.02 1.08 1.01 -1.26 -0.98 121.20 119.85 1s7w s ILE 7 Ca 0.20 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.19 1s7w s ILE 7 Cb -0.12 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 1s7w s ILE 7 CO 0.10 0.12 -0.20 -1.10 0.00 0.00 0.00 174.94 173.86 1s7w s GLN 8 N 1.44 1.68 -0.14 2.79 -0.21 -0.90 -5.00 119.66 119.32 1s7w s GLN 8 Ca -0.04 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.63 1s7w s GLN 8 Cb -0.13 -1.60 0.02 0.00 1.00 0.00 0.00 33.01 32.30 1s7w s GLN 8 CO -0.03 0.42 -0.15 0.08 -2.12 0.00 0.00 175.29 173.48 1s7w s VAL 9 N -0.42 1.61 0.09 1.09 1.01 -1.26 -1.30 120.40 121.22 1s7w s VAL 9 Ca 0.06 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1s7w s VAL 9 Cb -0.08 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.88 1s7w s VAL 9 CO -0.00 0.46 0.64 -0.72 0.00 0.00 0.00 175.10 175.48 1s7w s TYR 10 N 1.31 -0.56 0.17 5.22 1.13 -0.61 -4.52 117.35 119.50 1s7w s TYR 10 Ca 0.01 0.55 -0.14 0.00 -1.41 0.00 0.00 57.07 56.08 1s7w s TYR 10 Cb -0.13 0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 41.17 1s7w s TYR 10 CO -0.08 -0.76 0.57 -1.54 -2.51 0.00 0.00 175.55 171.23 1s7w s SER 11 N -2.29 6.81 0.18 -0.18 1.04 -1.26 0.37 113.70 118.37 1s7w s SER 11 Ca -0.02 1.09 -0.13 0.00 0.48 0.00 0.00 55.95 57.37 1s7w s SER 11 Cb -0.01 -2.29 0.09 0.00 0.10 0.00 0.00 66.02 63.91 1s7w s SER 11 CO -0.06 0.05 1.82 -0.09 0.98 0.00 0.00 173.24 175.94 1s7w h ARG 12 N 3.32 0.81 -6.18 4.02 2.43 -1.79 -3.44 114.38 113.55 1s7w h ARG 12 Ca -0.48 -0.07 -0.52 0.00 -0.81 0.00 0.00 59.98 58.09 1s7w h ARG 12 Cb 1.19 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 1s7w h ARG 12 CO 0.66 0.59 -0.55 -1.01 -1.51 0.00 0.00 179.97 178.15 1s7w s HIS 13 N -5.98 2.91 0.20 2.20 3.76 -1.26 -5.07 115.29 112.05 1s7w s HIS 13 Ca -0.13 -0.21 -0.32 0.00 -0.15 0.00 0.00 55.06 54.25 1s7w s HIS 13 Cb 0.13 -1.44 -0.12 0.00 1.11 0.00 0.00 32.58 32.26 1s7w s HIS 13 CO 0.76 0.47 1.69 -2.14 -0.85 0.00 0.00 174.74 174.68 1s7w s PRO 14 N -3.82 4.14 0.23 8.40 0.02 -1.26 -4.92 135.00 137.78 1s7w s PRO 14 Ca 0.34 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 1s7w s PRO 14 Cb -0.06 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.28 1s7w s PRO 14 CO 0.23 -0.72 1.03 -1.25 -0.33 0.00 0.00 177.00 175.96 1s7w s PRO 15 N 1.15 4.72 -0.06 5.54 0.04 -1.26 -5.05 135.00 140.08 1s7w s PRO 15 Ca 0.74 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 1s7w s PRO 15 Cb -0.49 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 30.83 1s7w s PRO 15 CO 0.32 0.30 0.13 -1.21 0.04 0.00 0.00 177.00 176.57 1s7w s GLU 16 N -1.00 0.06 0.39 4.56 2.02 -1.26 -5.13 118.70 118.34 1s7w s GLU 16 Ca 0.44 0.36 -0.27 0.00 0.02 0.00 0.00 54.97 55.52 1s7w s GLU 16 Cb -0.28 -0.20 -0.10 0.00 0.10 0.00 0.00 34.13 33.65 1s7w s GLU 16 CO 0.35 -0.18 1.37 -0.80 0.02 0.00 0.00 175.26 176.02 1s7w s ASN 17 N 1.27 6.36 0.00 -0.19 0.01 -1.26 -2.18 114.94 118.95 1s7w s ASN 17 Ca -0.08 2.80 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 1s7w s ASN 17 Cb -0.12 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1s7w s ASN 17 CO -0.05 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 1s7w n GLY 18 N 0.64 0.60 3.12 0.66 0.00 0.50 -4.99 105.19 105.71 1s7w n GLY 18 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1s7w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7w s LYS 19 N -0.32 2.97 0.46 1.61 1.02 -0.93 -4.98 119.74 119.57 1s7w s LYS 19 Ca 0.00 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.95 1s7w s LYS 19 Cb 0.00 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 1s7w s LYS 19 CO 0.00 -0.21 0.72 -0.35 -0.92 0.00 0.00 175.35 174.59 1s7w n PRO 20 N 4.62 0.83 -2.25 -1.68 -0.04 -1.26 -4.28 135.00 130.93 1s7w n PRO 20 Ca -0.21 0.30 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1s7w n PRO 20 Cb 0.50 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1s7w n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1s7w n ASN 21 N 0.75 -0.99 -4.12 3.54 2.85 -0.01 -4.99 115.26 112.29 1s7w n ASN 21 Ca 0.11 -1.71 -0.21 0.00 -0.11 0.00 0.00 54.58 52.66 1s7w n ASN 21 Cb 0.41 1.66 -0.14 0.00 1.24 0.00 0.00 39.78 42.95 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 -2.60 1.08 -0.10 -1.44 1.01 -1.26 -1.91 121.20 115.98 1s7w s ILE 22 Ca 0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1s7w s ILE 22 Cb -0.02 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1s7w s ILE 22 CO 0.06 0.16 -0.06 -0.22 0.00 0.00 0.00 174.94 174.88 1s7w s LEU 23 N -0.71 3.20 -0.04 2.97 2.96 -0.00 -2.05 118.68 125.01 1s7w s LEU 23 Ca 0.03 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1s7w s LEU 23 Cb -0.06 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1s7w s LEU 23 CO 0.00 0.29 -0.17 0.20 -1.32 0.00 0.00 176.35 175.36 1s7w s ASN 24 N -0.39 3.79 -0.26 3.68 0.01 0.16 -1.60 114.94 120.33 1s7w s ASN 24 Ca 0.06 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 1s7w s ASN 24 Cb -0.12 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.87 1s7w s ASN 24 CO 0.02 0.34 -0.09 0.00 -1.51 0.00 0.00 177.10 175.87 1s7w s TYR 26 N 1.15 3.20 -0.22 0.00 5.04 -0.42 -0.55 117.35 125.55 1s7w s TYR 26 Ca -0.07 -0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 53.77 1s7w s TYR 26 Cb -0.20 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.74 1s7w s TYR 26 CO -0.06 -0.54 -0.07 0.08 -1.34 0.00 0.00 175.55 173.62 1s7w s VAL 27 N 1.58 3.04 0.34 3.14 1.01 0.21 -2.13 120.40 127.60 1s7w s VAL 27 Ca 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1s7w s VAL 27 Cb -0.18 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1s7w s VAL 27 CO 0.06 0.40 0.07 0.42 0.00 0.00 0.00 175.10 176.05 1s7w s THR 28 N 1.42 1.08 -1.33 3.92 -4.23 -0.16 -0.54 115.64 115.80 1s7w s THR 28 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1s7w s THR 28 Cb -0.14 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1s7w s THR 28 CO -0.05 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.70 1s7w n GLN 29 N -0.73 -1.14 -4.20 3.99 -0.06 -0.76 -1.31 117.38 113.17 1s7w n GLN 29 Ca -0.03 0.79 -0.23 0.00 -2.00 0.00 0.00 57.00 55.53 1s7w n GLN 29 Cb 0.66 -5.06 -0.06 0.00 -4.06 0.00 0.00 30.24 21.72 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 -2.69 2.78 -0.28 3.69 -0.71 -1.18 -4.19 117.98 115.40 1s7w s PHE 30 Ca 0.00 -0.24 -0.21 0.00 -1.04 0.00 0.00 56.93 55.44 1s7w s PHE 30 Cb 0.00 -1.36 0.11 0.00 -1.21 0.00 0.00 43.02 40.56 1s7w s PHE 30 CO 0.00 0.52 0.88 -1.58 -1.34 0.00 0.00 175.22 173.70 1s7w s HIS 31 N -2.31 -0.69 1.10 3.49 2.46 -0.86 -2.22 115.29 116.25 1s7w s HIS 31 Ca 0.33 1.52 -0.19 0.00 0.47 0.00 0.00 55.06 57.20 1s7w s HIS 31 Cb -0.06 0.40 0.26 0.00 -0.13 0.00 0.00 32.58 33.06 1s7w s HIS 31 CO 0.22 -0.34 1.26 -1.25 -2.47 0.00 0.00 174.74 172.16 1s7w s PRO 32 N 0.86 -0.48 0.53 2.88 0.04 -1.26 -1.63 135.00 135.94 1s7w s PRO 32 Ca -0.04 -0.40 0.32 0.00 0.04 0.00 0.00 61.00 60.92 1s7w s PRO 32 Cb -0.05 -1.71 1.27 0.00 0.04 0.00 0.00 34.50 34.05 1s7w s PRO 32 CO -0.10 -3.16 1.95 -1.00 0.04 0.00 0.00 177.00 174.73 1s7w h PRO 33 N -2.18 0.00 -6.44 0.56 0.13 -2.00 -3.44 132.00 118.63 1s7w h PRO 33 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1s7w h PRO 33 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1s7w h PRO 33 CO 0.30 0.04 1.11 -1.58 -0.23 0.00 0.00 178.00 177.64 1s7w s HIS 34 N -3.67 2.00 0.02 1.56 2.46 -1.26 -4.98 115.29 111.42 1s7w s HIS 34 Ca 0.01 -0.02 -0.19 0.00 0.47 0.00 0.00 55.06 55.33 1s7w s HIS 34 Cb 0.09 -4.12 0.04 0.00 -0.13 0.00 0.00 32.58 28.46 1s7w s HIS 34 CO 0.56 -4.69 0.42 -1.50 -2.47 0.00 0.00 174.74 167.06 1s7w s ILE 35 N 3.23 0.05 -0.08 0.89 2.07 -1.26 -4.64 121.20 121.45 1s7w s ILE 35 Ca 0.80 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 59.67 1s7w s ILE 35 Cb -0.43 -0.87 -0.00 0.00 0.13 0.00 0.00 42.46 41.29 1s7w s ILE 35 CO 0.36 -0.23 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.32 1s7w s GLU 36 N -2.05 2.76 -0.01 3.50 2.02 -0.48 -5.01 118.70 119.44 1s7w s GLU 36 Ca -0.08 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.13 1s7w s GLU 36 Cb -0.02 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 1s7w s GLU 36 CO 0.01 0.21 -0.17 0.42 0.02 0.00 0.00 175.26 175.75 1s7w s ILE 37 N 0.24 1.37 -0.09 -1.63 1.01 -1.26 -1.13 121.20 119.71 1s7w s ILE 37 Ca -0.14 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1s7w s ILE 37 Cb -0.17 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.20 1s7w s ILE 37 CO 0.07 0.36 0.21 -1.58 0.00 0.00 0.00 174.94 174.01 1s7w s GLN 38 N -0.47 0.17 -0.14 2.79 0.74 -0.52 -4.99 119.66 117.24 1s7w s GLN 38 Ca 0.07 0.47 -0.05 0.00 0.05 0.00 0.00 55.36 55.90 1s7w s GLN 38 Cb -0.07 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 1s7w s GLN 38 CO -0.00 -0.16 0.03 -1.64 -0.55 0.00 0.00 175.29 172.97 1s7w s MET 39 N 1.19 3.52 -0.02 1.67 -1.94 -1.26 0.01 119.30 122.47 1s7w s MET 39 Ca -0.09 -0.38 0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1s7w s MET 39 Cb -0.10 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 1s7w s MET 39 CO -0.07 0.47 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.64 1s7w s LEU 40 N -0.22 2.05 -0.18 -0.03 1.43 -0.34 -0.91 118.68 120.49 1s7w s LEU 40 Ca 0.06 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1s7w s LEU 40 Cb -0.12 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.80 1s7w s LEU 40 CO 0.02 0.32 -0.14 -0.75 0.23 0.00 0.00 176.35 176.02 1s7w s LYS 41 N -0.60 2.36 -1.47 1.70 2.20 0.05 -1.16 119.74 122.82 1s7w s LYS 41 Ca 0.10 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 1s7w s LYS 41 Cb -0.10 -2.34 0.06 0.00 -1.51 0.00 0.00 37.83 33.94 1s7w s LYS 41 CO -0.01 -0.31 0.82 0.09 -0.36 0.00 0.00 175.35 175.58 1s7w n ASN 42 N 4.70 -4.98 0.00 1.43 3.02 0.11 -1.48 115.26 118.06 1s7w n ASN 42 Ca -0.17 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1s7w n ASN 42 Cb 0.49 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -1.57 0.58 3.39 7.41 0.00 -1.26 -5.02 105.19 108.72 1s7w n GLY 43 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s7w n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s7w s LYS 44 N -0.34 3.28 -0.42 1.61 2.20 -0.55 -5.04 119.74 120.48 1s7w s LYS 44 Ca 0.00 -0.68 -0.44 0.00 -0.36 0.00 0.00 55.97 54.50 1s7w s LYS 44 Cb 0.00 -2.61 -0.18 0.00 -1.51 0.00 0.00 37.83 33.53 1s7w s LYS 44 CO 0.00 0.28 1.74 1.17 -0.36 0.00 0.00 175.35 178.18 1s7w n LYS 45 N 3.34 0.44 -2.50 4.03 0.00 -1.26 -0.77 118.16 121.44 1s7w n LYS 45 Ca -0.18 0.16 -0.43 0.00 0.00 0.00 0.00 58.31 57.86 1s7w n LYS 45 Cb 0.53 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.78 1s7w n LYS 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1s7w s ILE 46 N 3.73 4.34 0.39 3.15 1.01 -0.08 -4.88 121.20 128.85 1s7w s ILE 46 Ca 1.05 1.57 0.07 0.00 0.00 0.00 0.00 60.65 63.34 1s7w s ILE 46 Cb -1.33 -4.19 0.21 0.00 0.01 0.00 0.00 42.46 37.17 1s7w s ILE 46 CO 0.73 -0.33 1.98 1.55 0.00 0.00 0.00 174.94 178.86 1s7w h PRO 47 N 8.44 0.45 -3.52 2.79 0.13 -1.92 -3.39 132.00 134.98 1s7w h PRO 47 Ca -0.24 -0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.20 1s7w h PRO 47 Cb 1.09 -0.08 -0.40 0.00 0.13 0.00 0.00 31.00 31.73 1s7w h PRO 47 CO 1.01 0.41 -0.69 0.15 -0.23 0.00 0.00 178.00 178.64 1s7w s LYS 48 N -5.16 1.54 -0.18 0.86 1.02 -1.26 -5.06 119.74 111.50 1s7w s LYS 48 Ca -0.07 -2.13 -0.00 0.00 0.02 0.00 0.00 55.97 53.78 1s7w s LYS 48 Cb 0.16 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1s7w s LYS 48 CO 0.74 -1.08 -0.14 0.08 -0.92 0.00 0.00 175.35 174.02 1s7w s VAL 49 N 0.33 2.61 0.22 3.17 1.01 -1.26 -4.80 120.40 121.68 1s7w s VAL 49 Ca 0.15 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1s7w s VAL 49 Cb -0.23 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 1s7w s VAL 49 CO -0.04 0.50 1.03 -1.61 0.00 0.00 0.00 175.10 174.98 1s7w s GLU 50 N 1.14 4.71 -0.08 2.72 0.41 -0.23 -4.90 118.70 122.46 1s7w s GLU 50 Ca 0.01 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.21 1s7w s GLU 50 Cb -0.14 -3.26 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 1s7w s GLU 50 CO -0.05 0.29 -0.06 1.41 -0.49 0.00 0.00 175.26 176.36 1s7w s MET 51 N -0.94 1.18 0.90 1.61 1.75 -1.26 -1.42 119.30 121.11 1s7w s MET 51 Ca 0.45 -0.16 -0.12 0.00 -1.25 0.00 0.00 55.69 54.61 1s7w s MET 51 Cb -0.28 -1.25 0.13 0.00 2.84 0.00 0.00 34.83 36.27 1s7w s MET 51 CO 0.35 -0.19 1.11 -1.54 -0.65 0.00 0.00 175.02 174.10 1s7w s SER 52 N 1.45 3.55 0.57 1.11 1.04 -0.68 -5.03 113.70 115.71 1s7w s SER 52 Ca -0.01 1.17 -0.06 0.00 0.48 0.00 0.00 55.95 57.52 1s7w s SER 52 Cb -0.13 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.16 1s7w s SER 52 CO -0.04 -2.55 0.89 -1.81 0.98 0.00 0.00 173.24 170.72 1s7w s ASP 53 N -3.79 5.82 0.04 7.02 1.01 -1.26 -4.77 116.67 120.73 1s7w s ASP 53 Ca 0.63 0.86 -0.30 0.00 0.71 0.00 0.00 52.55 54.45 1s7w s ASP 53 Cb -0.16 -1.93 -0.06 0.00 1.01 0.00 0.00 42.92 41.77 1s7w s ASP 53 CO 0.55 -0.93 1.40 0.00 0.21 0.00 0.00 175.17 176.39 1s7w s MET 54 N -4.96 4.30 0.09 8.23 0.23 -1.26 -4.87 119.30 121.05 1s7w s MET 54 Ca 0.52 2.00 0.02 0.00 -1.03 0.00 0.00 55.69 57.20 1s7w s MET 54 Cb -0.11 -3.47 -0.04 0.00 -1.53 0.00 0.00 34.83 29.68 1s7w s MET 54 CO 0.46 -0.52 -0.06 -1.12 -2.03 0.00 0.00 175.02 171.74 1s7w s SER 55 N 1.65 1.05 0.08 -1.18 0.01 -1.24 -5.06 113.70 109.01 1s7w s SER 55 Ca 0.64 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.99 1s7w s SER 55 Cb -0.33 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 1s7w s SER 55 CO 0.28 -0.44 -0.09 0.72 0.41 0.00 0.00 173.24 174.12 1s7w s PHE 56 N -3.33 0.94 0.57 2.43 -0.12 -1.26 -1.85 117.98 115.36 1s7w s PHE 56 Ca 0.08 -0.65 0.05 0.00 -0.05 0.00 0.00 56.93 56.36 1s7w s PHE 56 Cb 0.03 -0.53 0.07 0.00 -0.63 0.00 0.00 43.02 41.96 1s7w s PHE 56 CO -0.04 -0.04 0.79 -1.12 -0.05 0.00 0.00 175.22 174.75 1s7w s SER 57 N -2.28 5.08 0.26 1.98 0.01 -0.41 -4.96 113.70 113.39 1s7w s SER 57 Ca 0.02 -0.42 0.20 0.00 1.31 0.00 0.00 55.95 57.06 1s7w s SER 57 Cb -0.04 -0.29 0.99 0.00 0.21 0.00 0.00 66.02 66.89 1s7w s SER 57 CO -0.01 -1.29 1.61 2.29 0.41 0.00 0.00 173.24 176.25 1s7w n LYS 58 N -2.33 0.14 -0.04 12.44 2.85 -1.26 0.05 118.16 130.00 1s7w n LYS 58 Ca 0.12 0.55 0.12 0.00 -1.05 0.00 0.00 58.31 58.05 1s7w n LYS 58 Cb 0.60 -1.88 0.45 0.00 -0.65 0.00 0.00 35.03 33.55 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 -2.15 1.58 0.00 -5.58 5.68 -1.26 -4.94 116.55 109.87 1s7w n ASP 59 Ca -0.00 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1s7w n ASP 59 Cb 0.09 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 0.25 0.00 -2.90 2.11 7.02 0.11 -5.04 117.44 118.99 1s7w n TRP 60 Ca 0.17 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 1s7w n TRP 60 Cb 0.34 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.16 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 -3.05 6.85 0.39 -0.99 1.04 -1.25 -4.71 113.70 111.97 1s7w s SER 61 Ca 0.00 1.53 0.04 0.00 0.48 0.00 0.00 55.95 58.00 1s7w s SER 61 Cb 0.00 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 1s7w s SER 61 CO 0.00 -0.33 0.56 -0.36 0.98 0.00 0.00 173.24 174.09 1s7w s PHE 62 N -2.15 3.16 0.01 5.02 0.08 -0.94 -1.29 117.98 121.87 1s7w s PHE 62 Ca 0.59 -0.02 -0.29 0.00 0.12 0.00 0.00 56.93 57.34 1s7w s PHE 62 Cb -0.09 -2.14 0.07 0.00 -0.57 0.00 0.00 43.02 40.28 1s7w s PHE 62 CO 0.16 -0.17 0.65 1.52 -0.10 0.00 0.00 175.22 177.28 1s7w s TYR 63 N -2.35 -0.62 -0.11 0.36 1.13 -0.77 -1.83 117.35 113.16 1s7w s TYR 63 Ca 0.46 0.90 -0.14 0.00 -1.41 0.00 0.00 57.07 56.88 1s7w s TYR 63 Cb -0.10 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.24 1s7w s TYR 63 CO 0.34 -0.67 0.37 0.42 -2.51 0.00 0.00 175.55 173.50 1s7w s ILE 64 N -1.88 0.01 -0.22 -3.49 1.01 0.30 -3.65 121.20 113.28 1s7w s ILE 64 Ca -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1s7w s ILE 64 Cb -0.00 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 1s7w s ILE 64 CO 0.04 -0.06 -0.06 -0.22 0.00 0.00 0.00 174.94 174.64 1s7w s LEU 65 N -0.21 2.86 0.00 2.97 2.96 -1.26 -0.62 118.68 125.38 1s7w s LEU 65 Ca -0.04 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1s7w s LEU 65 Cb -0.03 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1s7w s LEU 65 CO 0.02 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.11 1s7w s ALA 66 N 1.45 3.61 0.10 5.97 0.00 0.28 -1.69 121.76 131.49 1s7w s ALA 66 Ca 0.05 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 1s7w s ALA 66 Cb -0.14 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.43 1s7w s ALA 66 CO -0.04 0.70 0.50 -3.38 0.00 0.00 0.00 175.76 173.54 1s7w s HIS 67 N -1.22 -0.38 -0.08 0.00 -0.00 -0.51 -0.60 115.29 112.50 1s7w s HIS 67 Ca 0.24 0.24 -0.12 0.00 -0.00 0.00 0.00 55.06 55.41 1s7w s HIS 67 Cb -0.12 0.37 0.03 0.00 -0.00 0.00 0.00 32.58 32.86 1s7w s HIS 67 CO 0.15 -0.72 0.32 -0.08 -0.00 0.00 0.00 174.74 174.41 1s7w s THR 68 N -3.24 0.02 0.40 -5.38 -1.32 -0.63 -1.07 115.64 104.42 1s7w s THR 68 Ca -0.01 -0.19 -0.25 0.00 -1.21 0.00 0.00 61.69 60.03 1s7w s THR 68 Cb 0.00 -0.51 -0.09 0.00 -1.51 0.00 0.00 72.50 70.39 1s7w s THR 68 CO -0.08 -0.10 1.13 -1.61 -2.21 0.00 0.00 174.62 171.74 1s7w s GLU 69 N -0.41 4.11 0.13 7.08 2.02 -1.26 -0.82 118.70 129.54 1s7w s GLU 69 Ca -0.05 1.74 -0.25 0.00 0.02 0.00 0.00 54.97 56.43 1s7w s GLU 69 Cb -0.03 -2.66 0.07 0.00 0.10 0.00 0.00 34.13 31.61 1s7w s GLU 69 CO 0.02 -0.25 0.78 -0.59 0.02 0.00 0.00 175.26 175.24 1s7w s PHE 70 N -1.47 -0.33 -0.25 1.61 -0.71 -0.80 -4.88 117.98 111.14 1s7w s PHE 70 Ca 0.57 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 1s7w s PHE 70 Cb -0.28 0.60 0.07 0.00 -1.21 0.00 0.00 43.02 42.20 1s7w s PHE 70 CO 0.35 -0.83 -0.00 0.99 -1.34 0.00 0.00 175.22 174.39 1s7w s THR 71 N -3.51 1.38 0.43 -4.49 2.01 -1.26 -0.83 115.64 109.38 1s7w s THR 71 Ca 0.06 -1.30 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 1s7w s THR 71 Cb -0.02 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 1s7w s THR 71 CO -0.05 -0.27 1.18 -2.16 -0.69 0.00 0.00 174.62 172.63 1s7w s PRO 72 N 1.43 3.88 0.31 4.92 0.04 -1.26 -4.78 135.00 139.54 1s7w s PRO 72 Ca -0.01 1.84 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1s7w s PRO 72 Cb -0.18 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 1s7w s PRO 72 CO -0.10 -0.47 -0.13 0.95 0.04 0.00 0.00 177.00 177.29 1s7w s THR 73 N -1.46 2.28 0.15 1.26 -4.23 -1.26 -0.37 115.64 112.01 1s7w s THR 73 Ca 0.60 -2.28 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 1s7w s THR 73 Cb -0.30 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1s7w s THR 73 CO 0.38 -0.29 0.93 -0.62 -0.54 0.00 0.00 174.62 174.47 1s7w n GLU 74 N -0.70 -0.09 -0.01 3.99 4.71 -1.26 -3.55 120.64 123.73 1s7w n GLU 74 Ca -0.05 0.93 0.09 0.00 -0.01 0.00 0.00 57.16 58.11 1s7w n GLU 74 Cb 0.62 -1.38 -0.14 0.00 -1.01 0.00 0.00 31.44 29.54 1s7w n GLU 74 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1s7w n THR 75 N -4.93 0.01 -2.15 2.62 5.66 -1.26 -4.96 114.28 109.27 1s7w n THR 75 Ca 0.08 -0.41 -0.41 0.00 -3.05 0.00 0.00 64.05 60.26 1s7w n THR 75 Cb 0.27 0.09 -0.03 0.00 -1.55 0.00 0.00 70.33 69.11 1s7w n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1s7w s ASP 76 N -4.04 6.82 0.20 1.09 1.01 -1.23 -5.04 116.67 115.49 1s7w s ASP 76 Ca -0.06 2.48 0.10 0.00 0.71 0.00 0.00 52.55 55.78 1s7w s ASP 76 Cb 0.11 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1s7w s ASP 76 CO 0.73 -0.58 -0.14 0.42 0.21 0.00 0.00 175.17 175.81 1s7w s THR 77 N 0.06 2.90 0.04 -1.27 -4.23 -1.26 -4.82 115.64 107.06 1s7w s THR 77 Ca 0.57 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1s7w s THR 77 Cb -0.38 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1s7w s THR 77 CO 0.40 -0.17 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.93 1s7w s TYR 78 N -1.85 0.62 0.18 3.99 1.51 -1.26 0.10 117.35 120.64 1s7w s TYR 78 Ca 0.25 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1s7w s TYR 78 Cb -0.08 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1s7w s TYR 78 CO 0.14 -0.10 0.19 0.00 -1.11 0.00 0.00 175.55 174.67 1s7w s ALA 79 N -1.44 0.62 -0.12 3.71 0.00 -0.31 -0.88 121.76 123.34 1s7w s ALA 79 Ca -0.10 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.55 1s7w s ALA 79 Cb -0.10 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.10 1s7w s ALA 79 CO 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 175.76 174.94 1s7w s ARG 81 N 0.71 3.47 -0.19 0.00 3.52 0.10 -1.46 118.95 125.10 1s7w s ARG 81 Ca -0.11 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1s7w s ARG 81 Cb -0.16 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1s7w s ARG 81 CO 0.01 -0.10 -0.18 0.08 -0.81 0.00 0.00 175.30 174.31 1s7w s VAL 82 N 1.24 2.20 -0.28 7.11 1.01 -0.22 -1.44 120.40 130.02 1s7w s VAL 82 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1s7w s VAL 82 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1s7w s VAL 82 CO -0.01 0.51 0.19 -0.54 0.00 0.00 0.00 175.10 175.26 1s7w s LYS 83 N 1.30 3.95 0.04 2.72 1.02 -0.28 -1.34 119.74 127.16 1s7w s LYS 83 Ca 0.05 -0.31 -0.08 0.00 0.02 0.00 0.00 55.97 55.65 1s7w s LYS 83 Cb -0.13 -3.66 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1s7w s LYS 83 CO -0.12 -0.18 0.16 -1.58 -0.92 0.00 0.00 175.35 172.71 1s7w s HIS 84 N 1.76 0.11 0.12 3.18 2.46 -1.26 -1.38 115.29 120.29 1s7w s HIS 84 Ca 0.07 -0.37 0.30 0.00 0.47 0.00 0.00 55.06 55.53 1s7w s HIS 84 Cb -0.16 -0.07 1.22 0.00 -0.13 0.00 0.00 32.58 33.43 1s7w s HIS 84 CO 0.11 -0.41 1.94 -0.44 -2.47 0.00 0.00 174.74 173.47 1s7w h ASP 85 N 3.51 0.00 0.17 9.88 3.32 -1.93 -2.23 116.42 129.14 1s7w h ASP 85 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1s7w h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1s7w h ASP 85 CO 0.49 0.08 0.00 -1.54 -1.72 0.00 0.00 179.24 176.55 1s7w n SER 86 N -3.22 0.39 -3.89 6.45 3.41 -1.26 -4.63 113.62 110.87 1s7w n SER 86 Ca 0.00 0.66 -0.21 0.00 -0.26 0.00 0.00 58.87 59.06 1s7w n SER 86 Cb 0.34 -0.72 -0.17 0.00 -0.26 0.00 0.00 64.21 63.41 1s7w n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s7w s MET 87 N -3.32 0.93 0.30 4.33 -1.94 -0.84 -4.94 119.30 113.82 1s7w s MET 87 Ca 0.00 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 53.88 1s7w s MET 87 Cb 0.05 -0.95 0.58 0.00 2.01 0.00 0.00 34.83 36.52 1s7w s MET 87 CO 0.18 -0.10 1.88 0.00 -0.01 0.00 0.00 175.02 176.97 1s7w h ALA 88 N 7.34 1.57 -2.21 3.03 0.00 -1.82 -3.43 119.26 123.75 1s7w h ALA 88 Ca -0.35 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 1s7w h ALA 88 Cb 1.15 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 1s7w h ALA 88 CO 0.44 0.25 -0.73 -1.21 0.00 0.00 0.00 179.25 178.00 1s7w s GLU 89 N -5.89 1.82 0.36 0.00 0.41 -1.26 -5.08 118.70 109.07 1s7w s GLU 89 Ca -0.11 -1.69 -0.28 0.00 -0.41 0.00 0.00 54.97 52.47 1s7w s GLU 89 Cb 0.21 -1.86 -0.11 0.00 -1.78 0.00 0.00 34.13 30.59 1s7w s GLU 89 CO 0.80 0.34 1.41 -2.14 -0.49 0.00 0.00 175.26 175.18 1s7w s PRO 90 N -3.55 4.19 -0.20 0.39 0.02 -1.26 -4.84 135.00 129.74 1s7w s PRO 90 Ca 0.30 2.42 -0.10 0.00 0.02 0.00 0.00 61.00 63.65 1s7w s PRO 90 Cb -0.05 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 1s7w s PRO 90 CO 0.16 -0.40 0.12 0.21 -0.33 0.00 0.00 177.00 176.76 1s7w s LYS 91 N -1.99 4.12 -0.18 5.54 2.20 -0.45 -4.91 119.74 124.07 1s7w s LYS 91 Ca 0.52 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1s7w s LYS 91 Cb -0.44 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1s7w s LYS 91 CO 0.59 0.24 -0.07 0.99 -0.36 0.00 0.00 175.35 176.74 1s7w s THR 92 N 0.52 3.34 -0.15 3.43 2.01 -1.26 -1.05 115.64 122.48 1s7w s THR 92 Ca 0.07 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1s7w s THR 92 Cb -0.12 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1s7w s THR 92 CO -0.00 0.47 -0.18 0.54 -0.69 0.00 0.00 174.62 174.76 1s7w s VAL 93 N 0.94 2.41 0.16 3.82 0.11 -0.54 -4.95 120.40 122.35 1s7w s VAL 93 Ca -0.01 -0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 1s7w s VAL 93 Cb -0.15 -2.00 -0.08 0.00 -1.53 0.00 0.00 36.38 32.63 1s7w s VAL 93 CO 0.00 0.53 0.80 -0.31 -3.33 0.00 0.00 175.10 172.80 1s7w s TYR 94 N 0.81 3.90 -0.06 1.54 2.02 -1.26 -0.97 117.35 123.32 1s7w s TYR 94 Ca -0.06 1.66 -0.29 0.00 -0.37 0.00 0.00 57.07 58.01 1s7w s TYR 94 Cb -0.15 -2.81 -0.07 0.00 -0.40 0.00 0.00 41.96 38.53 1s7w s TYR 94 CO -0.01 0.48 1.88 -0.46 -1.57 0.00 0.00 175.55 175.87 1s7w s TRP 95 N -1.01 1.54 -0.29 2.71 -0.00 -0.06 -4.89 118.94 116.94 1s7w s TRP 95 Ca 0.37 -0.00 -0.14 0.00 -0.00 0.00 0.00 56.10 56.33 1s7w s TRP 95 Cb -0.23 -4.08 -0.03 0.00 -0.00 0.00 0.00 33.47 29.13 1s7w s TRP 95 CO 0.27 -4.55 0.32 0.34 -0.00 0.00 0.00 176.95 173.33 1s7w s ASP 96 N 4.78 6.17 0.02 5.86 -1.08 -1.26 -4.78 116.67 126.38 1s7w s ASP 96 Ca 0.84 0.05 0.21 0.00 -0.52 0.00 0.00 52.55 53.13 1s7w s ASP 96 Cb -0.36 -2.18 0.88 0.00 -1.46 0.00 0.00 42.92 39.79 1s7w s ASP 96 CO 0.36 -0.20 1.66 -2.11 0.52 0.00 0.00 175.17 175.40 1s7w n ARG 97 N 5.28 0.02 0.09 4.34 1.85 -1.26 -1.26 116.66 125.71 1s7w n ARG 97 Ca -0.10 0.16 -0.18 0.00 -1.00 0.00 0.00 57.85 56.73 1s7w n ARG 97 Cb 0.51 -1.52 -0.14 0.00 -1.05 0.00 0.00 32.46 30.25 1s7w n ARG 97 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1s7w h ASP 98 N 0.00 0.46 0.00 2.89 3.32 -1.98 -3.44 116.42 117.67 1s7w h ASP 98 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1s7w h ASP 98 Cb 0.36 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1s7w h ASP 98 CO 0.00 1.46 0.00 0.23 -1.72 0.00 0.00 179.24 179.21