#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w7r s PRO 4 N 0.00 2.54 -0.20 -1.09 0.02 -1.26 -5.11 135.00 129.90 2w7r s PRO 4 Ca 0.00 0.24 -0.27 0.00 0.02 0.00 0.00 61.00 60.99 2w7r s PRO 4 Cb 0.00 -2.04 -0.00 0.00 0.02 0.00 0.00 34.50 32.48 2w7r s PRO 4 CO 0.00 -1.18 0.94 0.42 -0.33 0.00 0.00 177.00 176.85 2w7r s ILE 5 N -3.37 4.77 -0.25 2.83 -1.09 0.73 -4.85 121.20 119.96 2w7r s ILE 5 Ca 0.59 1.85 -0.10 0.00 -2.23 0.00 0.00 60.65 60.75 2w7r s ILE 5 Cb -0.11 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2w7r s ILE 5 CO 0.50 -0.09 0.16 -0.69 -1.23 0.00 0.00 174.94 173.58 2w7r s VAL 6 N 2.75 5.20 -0.21 2.92 1.01 -1.26 -0.14 120.40 130.66 2w7r s VAL 6 Ca 0.41 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 2w7r s VAL 6 Cb -0.16 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2w7r s VAL 6 CO 0.09 0.31 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 2w7r s ILE 7 N 1.36 3.11 -0.26 2.22 1.01 0.04 -4.81 121.20 123.88 2w7r s ILE 7 Ca 0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2w7r s ILE 7 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 2w7r s ILE 7 CO 0.07 0.45 0.18 -1.00 0.00 0.00 0.00 174.94 174.64 2w7r s HIS 8 N 1.34 3.26 0.05 3.97 3.76 -1.26 -1.75 115.29 124.66 2w7r s HIS 8 Ca 0.04 0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2w7r s HIS 8 Cb -0.14 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 2w7r s HIS 8 CO -0.04 -0.06 -0.04 0.45 -0.85 0.00 0.00 174.74 174.19 2w7r s SER 9 N 1.45 4.77 0.12 1.40 0.15 0.36 -4.75 113.70 117.19 2w7r s SER 9 Ca 0.07 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.75 2w7r s SER 9 Cb -0.15 -1.10 -0.09 0.00 -1.71 0.00 0.00 66.02 62.97 2w7r s SER 9 CO 0.08 0.23 0.88 -1.54 1.20 0.00 0.00 173.24 174.09 2w7r n SER 10 N 1.08 0.69 0.00 5.45 3.41 -1.26 -4.72 113.62 118.27 2w7r n SER 10 Ca -0.14 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2w7r n SER 10 Cb 0.52 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2w7r n SER 10 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2w7r n LYS 12 N -2.66 0.00 -4.26 4.33 -0.00 -1.26 -4.97 118.16 109.35 2w7r n LYS 12 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.13 2w7r n LYS 12 Cb 0.63 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.56 2w7r n LYS 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2w7r s ASN 13 N -4.00 0.75 -0.02 -5.58 0.01 -1.26 -5.06 114.94 99.78 2w7r s ASN 13 Ca 0.00 -1.36 0.03 0.00 -0.71 0.00 0.00 52.86 50.83 2w7r s ASN 13 Cb 0.00 0.25 -0.25 0.00 0.41 0.00 0.00 41.25 41.66 2w7r s ASN 13 CO 0.00 -0.76 0.74 1.88 -1.51 0.00 0.00 177.10 177.46 2w7r h TYR 14 N 2.53 0.24 0.00 2.20 0.05 -1.97 -3.45 116.97 116.57 2w7r h TYR 14 Ca -0.37 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.24 2w7r h TYR 14 Cb 1.24 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2w7r h TYR 14 CO 0.42 1.27 0.00 0.41 -1.05 0.00 0.00 178.16 179.21 2w7r n GLY 15 N 1.65 1.31 3.41 3.88 0.00 -1.26 -0.93 105.19 113.24 2w7r n GLY 15 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2w7r n GLY 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w7r s PHE 16 N -2.00 0.46 0.11 1.61 -0.12 -1.26 -0.99 117.98 115.79 2w7r s PHE 16 Ca 0.00 -0.80 0.08 0.00 -0.05 0.00 0.00 56.93 56.15 2w7r s PHE 16 Cb 0.00 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 2w7r s PHE 16 CO 0.00 -0.81 -0.19 0.95 -0.05 0.00 0.00 175.22 175.12 2w7r s THR 17 N -4.00 1.63 0.15 -4.49 -4.23 -0.52 -4.99 115.64 99.18 2w7r s THR 17 Ca 0.21 -1.57 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 2w7r s THR 17 Cb 0.02 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 2w7r s THR 17 CO 0.04 -0.13 -0.23 0.27 -0.54 0.00 0.00 174.62 174.03 2w7r s ILE 18 N -1.34 2.08 0.03 2.99 -4.36 -1.26 -0.20 121.20 119.13 2w7r s ILE 18 Ca 0.07 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 2w7r s ILE 18 Cb -0.09 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 2w7r s ILE 18 CO 0.04 -0.08 -0.09 -0.13 0.24 0.00 0.00 174.94 174.93 2w7r s ARG 19 N -2.33 0.59 0.24 0.37 0.52 -0.39 -4.84 118.95 113.12 2w7r s ARG 19 Ca 0.14 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 2w7r s ARG 19 Cb -0.09 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 34.82 2w7r s ARG 19 CO 0.07 0.11 1.00 0.00 0.02 0.00 0.00 175.30 176.50 2w7r s ALA 20 N -0.89 3.36 0.17 2.13 0.00 -1.26 -0.84 121.76 124.42 2w7r s ALA 20 Ca -0.04 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.68 2w7r s ALA 20 Cb -0.07 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2w7r s ALA 20 CO 0.00 0.06 -0.08 0.96 0.00 0.00 0.00 175.76 176.70 2w7r s ILE 21 N -1.07 1.17 -0.05 0.00 -4.36 -0.09 -4.94 121.20 111.86 2w7r s ILE 21 Ca 0.43 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.81 2w7r s ILE 21 Cb -0.28 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 2w7r s ILE 21 CO 0.35 -0.65 -0.20 -0.13 0.24 0.00 0.00 174.94 174.55 2w7r s ARG 22 N -3.77 2.03 -0.24 0.37 0.52 -1.26 -2.12 118.95 114.48 2w7r s ARG 22 Ca 0.19 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 2w7r s ARG 22 Cb 0.03 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.77 2w7r s ARG 22 CO 0.03 0.31 -0.09 0.08 0.02 0.00 0.00 175.30 175.64 2w7r s VAL 23 N -0.07 2.64 0.08 3.52 1.01 -0.02 -4.93 120.40 122.63 2w7r s VAL 23 Ca -0.03 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2w7r s VAL 23 Cb -0.12 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2w7r s VAL 23 CO 0.02 0.23 0.39 -0.31 0.00 0.00 0.00 175.10 175.43 2w7r s TYR 24 N 1.29 3.57 -0.28 5.22 1.51 -1.26 -1.45 117.35 125.94 2w7r s TYR 24 Ca -0.00 0.75 -0.09 0.00 -1.01 0.00 0.00 57.07 56.71 2w7r s TYR 24 Cb -0.16 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2w7r s TYR 24 CO -0.06 0.51 0.14 0.14 -1.11 0.00 0.00 175.55 175.17 2w7r s VAL 25 N -1.43 4.76 0.00 0.71 -7.23 -1.07 -4.98 120.40 111.16 2w7r s VAL 25 Ca 0.34 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2w7r s VAL 25 Cb -0.14 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.49 2w7r s VAL 25 CO 0.19 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 2w7r n GLY 26 N 4.99 2.95 1.08 2.32 0.00 -1.26 -2.68 105.19 112.59 2w7r n GLY 26 Ca -0.15 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.61 2w7r n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w7r n ASP 27 N 0.96 3.13 -4.73 1.61 2.03 -1.26 -4.98 116.55 113.31 2w7r n ASP 27 Ca 0.00 -2.10 -0.27 0.00 0.52 0.00 0.00 54.79 52.94 2w7r n ASP 27 Cb 0.00 -0.40 0.10 0.00 -0.72 0.00 0.00 41.12 40.10 2w7r n ASP 27 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2w7r s SER 28 N -0.94 4.32 0.00 1.67 1.04 -1.09 -4.97 113.70 113.73 2w7r s SER 28 Ca 0.37 0.43 0.19 0.00 0.48 0.00 0.00 55.95 57.41 2w7r s SER 28 Cb 0.21 -0.88 0.57 0.00 0.10 0.00 0.00 66.02 66.02 2w7r s SER 28 CO 0.23 -1.95 1.45 0.47 0.98 0.00 0.00 173.24 174.41 2w7r n ASP 29 N -3.21 2.15 -4.73 7.02 8.00 -1.26 -4.68 116.55 119.83 2w7r n ASP 29 Ca 0.10 -1.85 -0.39 0.00 0.71 0.00 0.00 54.79 53.36 2w7r n ASP 29 Cb 0.60 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 2w7r n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w7r s ILE 30 N -1.62 5.00 0.13 0.53 -1.09 -1.26 -5.05 121.20 117.82 2w7r s ILE 30 Ca 0.32 1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 60.07 2w7r s ILE 30 Cb 0.17 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2w7r s ILE 30 CO 0.25 0.32 0.03 -0.72 -1.23 0.00 0.00 174.94 173.59 2w7r s TYR 31 N 0.39 0.89 0.16 3.97 -0.85 -1.26 -2.59 117.35 118.05 2w7r s TYR 31 Ca 0.34 -1.15 0.09 0.00 -0.52 0.00 0.00 57.07 55.83 2w7r s TYR 31 Cb -0.18 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.61 2w7r s TYR 31 CO 0.17 -0.41 -0.15 0.95 -1.52 0.00 0.00 175.55 174.59 2w7r s THR 32 N -3.92 2.94 -0.11 -3.49 -4.23 -0.53 -4.90 115.64 101.40 2w7r s THR 32 Ca 0.21 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2w7r s THR 32 Cb 0.07 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 2w7r s THR 32 CO 0.00 -0.04 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.29 2w7r s VAL 33 N -1.52 3.79 0.22 2.29 1.01 -1.26 -0.84 120.40 124.08 2w7r s VAL 33 Ca 0.22 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 2w7r s VAL 33 Cb -0.09 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2w7r s VAL 33 CO 0.13 0.56 0.28 -1.00 0.00 0.00 0.00 175.10 175.06 2w7r s HIS 34 N -0.30 0.78 -0.12 5.22 3.76 -0.90 -4.96 115.29 118.77 2w7r s HIS 34 Ca 0.05 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 53.91 2w7r s HIS 34 Cb -0.13 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.35 2w7r s HIS 34 CO 0.02 -0.79 -0.20 -1.01 -0.85 0.00 0.00 174.74 171.92 2w7r s HIS 35 N -4.09 2.39 0.05 1.40 3.76 -1.26 -0.91 115.29 116.62 2w7r s HIS 35 Ca 0.31 -1.14 0.08 0.00 -0.15 0.00 0.00 55.06 54.15 2w7r s HIS 35 Cb 0.04 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 2w7r s HIS 35 CO 0.10 -0.53 -0.20 -1.50 -0.85 0.00 0.00 174.74 171.76 2w7r s ILE 36 N 0.80 2.67 -0.20 0.60 2.07 -0.02 -0.92 121.20 126.20 2w7r s ILE 36 Ca -0.09 -1.24 -0.29 0.00 -1.41 0.00 0.00 60.65 57.62 2w7r s ILE 36 Cb -0.16 -2.12 -0.02 0.00 0.13 0.00 0.00 42.46 40.30 2w7r s ILE 36 CO -0.00 0.33 1.40 -0.69 -1.91 0.00 0.00 174.94 174.07 2w7r s VAL 37 N -0.91 4.02 -0.16 4.00 1.01 0.19 -1.26 120.40 127.29 2w7r s VAL 37 Ca 0.14 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 2w7r s VAL 37 Cb -0.10 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.14 2w7r s VAL 37 CO 0.05 -0.25 0.33 -0.25 0.00 0.00 0.00 175.10 174.97 2w7r h TRP 38 N 9.22 0.27 -3.50 5.22 2.91 -0.90 0.91 115.95 130.08 2w7r h TRP 38 Ca -0.30 -0.20 -0.16 0.00 1.13 0.00 0.00 58.89 59.36 2w7r h TRP 38 Cb 1.12 -0.01 -0.23 0.00 -0.51 0.00 0.00 29.16 29.53 2w7r h TRP 38 CO 0.86 1.63 -0.53 1.21 -1.03 0.00 0.00 178.44 180.58 2w7r s ASN 39 N -6.97 -0.02 -0.17 2.65 2.47 -1.17 -4.66 114.94 107.07 2w7r s ASN 39 Ca -0.25 -0.04 -0.00 0.00 0.42 0.00 0.00 52.86 52.99 2w7r s ASN 39 Cb 0.06 0.23 0.04 0.00 -1.45 0.00 0.00 41.25 40.13 2w7r s ASN 39 CO 0.69 -0.25 -0.06 -0.69 -3.72 0.00 0.00 177.10 173.07 2w7r s VAL 40 N -0.85 1.21 0.18 -5.21 1.01 -1.26 -1.44 120.40 114.04 2w7r s VAL 40 Ca -0.09 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 2w7r s VAL 40 Cb -0.05 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 2w7r s VAL 40 CO 0.01 0.15 1.45 -1.61 0.00 0.00 0.00 175.10 175.10 2w7r s GLU 41 N 1.59 4.28 0.30 2.72 2.02 -0.16 -4.92 118.70 124.54 2w7r s GLU 41 Ca 0.01 2.22 -0.29 0.00 0.02 0.00 0.00 54.97 56.93 2w7r s GLU 41 Cb -0.15 -3.17 -0.10 0.00 0.10 0.00 0.00 34.13 30.80 2w7r s GLU 41 CO -0.08 -0.47 1.38 -1.21 0.02 0.00 0.00 175.26 174.90 2w7r s GLU 42 N 0.59 4.29 0.00 1.61 2.02 -1.26 -2.31 118.70 123.64 2w7r s GLU 42 Ca 0.64 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.92 2w7r s GLU 42 Cb -0.40 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2w7r s GLU 42 CO 0.35 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2w7r n GLY 43 N 1.29 1.40 3.89 -1.39 0.00 -1.26 -5.04 105.19 104.07 2w7r n GLY 43 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2w7r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w7r s SER 44 N -3.16 5.84 0.28 1.61 1.04 -0.98 -4.87 113.70 113.46 2w7r s SER 44 Ca 0.00 1.15 0.02 0.00 0.48 0.00 0.00 55.95 57.60 2w7r s SER 44 Cb 0.00 -2.13 0.61 0.00 0.10 0.00 0.00 66.02 64.60 2w7r s SER 44 CO 0.00 -1.04 1.80 -0.65 0.98 0.00 0.00 173.24 174.32 2w7r h PRO 45 N -0.36 0.80 -0.60 4.02 0.11 -1.84 -0.31 132.00 133.81 2w7r h PRO 45 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2w7r h PRO 45 Cb 1.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2w7r h PRO 45 CO 0.62 0.53 0.10 0.00 -0.21 0.00 0.00 178.00 179.04 2w7r h ALA 46 N 1.58 1.03 -0.28 -0.75 0.00 -1.33 -0.43 119.26 119.07 2w7r h ALA 46 Ca 0.52 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2w7r h ALA 46 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2w7r h ALA 46 CO -0.33 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.58 2w7r h GLN 48 N 0.29 1.12 0.00 0.00 4.20 -0.88 -2.68 115.11 117.16 2w7r h GLN 48 Ca 0.09 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2w7r h GLN 48 Cb 0.35 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2w7r h GLN 48 CO 0.01 0.84 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 2w7r h ALA 49 N 1.33 1.00 0.00 3.87 0.00 -0.92 -3.46 119.26 121.08 2w7r h ALA 49 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2w7r h ALA 49 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2w7r h ALA 49 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2w7r n GLY 50 N 0.36 0.86 3.76 0.00 0.00 -1.00 -4.78 105.19 104.39 2w7r n GLY 50 Ca 0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2w7r n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2w7r s LEU 51 N 0.00 4.41 -0.01 0.99 2.96 -0.73 -5.02 118.68 121.28 2w7r s LEU 51 Ca 0.00 2.69 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 2w7r s LEU 51 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2w7r s LEU 51 CO 0.00 -0.58 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.79 2w7r s LYS 52 N -1.52 1.01 0.27 1.98 1.02 -1.26 -4.64 119.74 116.59 2w7r s LYS 52 Ca 0.51 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 2w7r s LYS 52 Cb -0.40 -0.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.80 2w7r s LYS 52 CO 0.51 0.27 1.29 0.00 -0.92 0.00 0.00 175.35 176.50 2w7r n ALA 53 N 2.75 0.74 0.00 5.17 0.00 -1.26 -1.73 120.51 126.17 2w7r n ALA 53 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2w7r n ALA 53 Cb 0.56 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2w7r n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w7r n GLY 54 N 1.63 2.65 3.73 0.00 0.00 0.31 -5.01 105.19 108.50 2w7r n GLY 54 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2w7r n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w7r s ASP 55 N -1.36 6.67 0.03 1.61 1.01 -0.71 -4.38 116.67 119.54 2w7r s ASP 55 Ca 0.00 2.58 -0.23 0.00 0.71 0.00 0.00 52.55 55.61 2w7r s ASP 55 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 2w7r s ASP 55 CO 0.00 -0.73 0.69 -0.76 0.21 0.00 0.00 175.17 174.57 2w7r s LEU 56 N 0.47 4.44 -0.13 1.23 1.43 -1.05 -0.64 118.68 124.44 2w7r s LEU 56 Ca 0.64 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 2w7r s LEU 56 Cb -0.41 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2w7r s LEU 56 CO 0.36 0.07 0.45 -0.63 0.23 0.00 0.00 176.35 176.82 2w7r s ILE 57 N -0.19 5.21 -0.07 -0.59 1.01 -0.09 -1.10 121.20 125.38 2w7r s ILE 57 Ca 0.35 0.88 0.10 0.00 0.00 0.00 0.00 60.65 61.98 2w7r s ILE 57 Cb -0.20 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.35 2w7r s ILE 57 CO 0.20 0.33 0.11 0.35 0.00 0.00 0.00 174.94 175.93 2w7r n THR 58 N 3.72 0.44 -3.78 2.92 -2.24 0.42 -4.54 114.28 111.20 2w7r n THR 58 Ca -0.08 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2w7r n THR 58 Cb 0.52 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 2w7r n THR 58 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2w7r s HIS 59 N -2.44 -0.16 -0.13 4.78 3.76 -1.14 -1.10 115.29 118.86 2w7r s HIS 59 Ca -0.05 0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2w7r s HIS 59 Cb 0.05 0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.82 2w7r s HIS 59 CO 0.43 -0.33 -0.15 0.42 -0.85 0.00 0.00 174.74 174.26 2w7r s ILE 60 N -1.11 1.57 -1.41 0.60 1.01 -0.02 -1.09 121.20 120.74 2w7r s ILE 60 Ca -0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 2w7r s ILE 60 Cb -0.05 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 41.06 2w7r s ILE 60 CO 0.03 0.46 0.63 0.59 0.00 0.00 0.00 174.94 176.65 2w7r n ASN 61 N 4.47 -3.91 0.00 3.58 3.02 0.13 -0.89 115.26 121.66 2w7r n ASN 61 Ca -0.18 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2w7r n ASN 61 Cb 0.51 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 2w7r n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w7r n GLY 62 N -1.31 2.16 3.70 7.41 0.00 -1.26 -5.02 105.19 110.87 2w7r n GLY 62 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2w7r n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2w7r s GLU 63 N -0.33 4.36 0.41 1.61 2.02 -0.07 -5.00 118.70 121.70 2w7r s GLU 63 Ca 0.00 0.84 -0.26 0.00 0.02 0.00 0.00 54.97 55.57 2w7r s GLU 63 Cb 0.00 -3.50 -0.08 0.00 0.10 0.00 0.00 34.13 30.65 2w7r s GLU 63 CO 0.00 -0.07 1.27 -2.14 0.02 0.00 0.00 175.26 174.34 2w7r s PRO 64 N 1.29 3.94 0.00 0.39 0.02 -1.26 -0.84 135.00 138.54 2w7r s PRO 64 Ca 0.35 2.08 0.24 0.00 0.02 0.00 0.00 61.00 63.69 2w7r s PRO 64 Cb -0.17 -2.71 0.29 0.00 0.02 0.00 0.00 34.50 31.93 2w7r s PRO 64 CO 0.15 -0.49 1.29 1.33 -0.33 0.00 0.00 177.00 178.95 2w7r n VAL 65 N 0.05 0.00 -1.68 3.83 0.24 -0.26 -4.87 118.33 115.64 2w7r n VAL 65 Ca 0.04 -0.32 -0.44 0.00 -2.04 0.00 0.00 64.34 61.58 2w7r n VAL 65 Cb 0.44 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 2w7r n VAL 65 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2w7r n HIS 66 N 0.38 2.25 -0.07 6.34 -0.00 -1.26 -1.48 115.22 121.38 2w7r n HIS 66 Ca 0.12 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 2w7r n HIS 66 Cb 0.48 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 2w7r n HIS 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2w7r n GLY 67 N 2.24 2.70 3.81 1.57 0.00 -1.26 -5.02 105.19 109.24 2w7r n GLY 67 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2w7r n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w7r s LEU 68 N 0.00 4.36 0.63 0.99 1.43 -0.55 -5.08 118.68 120.47 2w7r s LEU 68 Ca 0.00 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 2w7r s LEU 68 Cb 0.00 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.71 2w7r s LEU 68 CO 0.00 0.06 0.98 0.68 0.23 0.00 0.00 176.35 178.29 2w7r s VAL 69 N -1.48 3.68 0.21 -1.59 -7.23 -1.26 -4.87 120.40 107.86 2w7r s VAL 69 Ca 0.42 0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.65 2w7r s VAL 69 Cb -0.17 -3.50 0.20 0.00 0.56 0.00 0.00 36.38 33.48 2w7r s VAL 69 CO 0.21 -0.57 1.59 -0.74 -0.31 0.00 0.00 175.10 175.28 2w7r h HIS 70 N -0.35 -0.70 -0.09 2.82 2.76 -1.98 -0.48 115.15 117.13 2w7r h HIS 70 Ca -0.45 0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 57.75 2w7r h HIS 70 Cb 1.25 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 2w7r h HIS 70 CO 0.50 -0.35 -0.13 0.00 -1.30 0.00 0.00 177.93 176.64 2w7r h THR 71 N -0.08 1.15 -0.41 6.26 1.03 -1.99 -1.29 112.91 117.57 2w7r h THR 71 Ca 0.29 -0.66 -0.14 0.00 -0.01 0.00 0.00 66.41 65.89 2w7r h THR 71 Cb 0.55 1.22 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 2w7r h THR 71 CO -0.72 0.20 -0.29 -0.33 -0.01 0.00 0.00 175.52 174.36 2w7r h GLU 72 N 0.14 0.93 -0.31 0.00 5.08 -1.48 -1.62 114.58 117.31 2w7r h GLU 72 Ca 0.03 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2w7r h GLU 72 Cb 0.32 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2w7r h GLU 72 CO 0.02 1.10 -0.00 0.28 -1.00 0.00 0.00 179.01 179.41 2w7r h VAL 73 N 0.75 1.26 -0.68 3.13 2.07 -0.81 -2.02 116.25 119.96 2w7r h VAL 73 Ca 0.08 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.73 2w7r h VAL 73 Cb 0.88 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2w7r h VAL 73 CO 0.08 0.31 0.33 0.40 0.02 0.00 0.00 177.57 178.71 2w7r h ILE 74 N 0.35 0.87 -0.84 4.57 1.08 -1.22 -1.58 117.51 120.73 2w7r h ILE 74 Ca 0.09 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2w7r h ILE 74 Cb 0.44 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 2w7r h ILE 74 CO 0.02 0.11 0.54 -0.08 -0.69 0.00 0.00 178.15 178.04 2w7r h GLU 75 N 0.58 1.12 -0.68 2.37 4.57 -1.04 -0.05 114.58 121.46 2w7r h GLU 75 Ca 0.33 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2w7r h GLU 75 Cb 0.32 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2w7r h GLU 75 CO -0.25 0.76 0.42 -0.07 -1.18 0.00 0.00 179.01 178.68 2w7r h LEU 76 N 1.15 0.80 -0.78 1.64 3.38 -0.56 -1.74 115.31 119.20 2w7r h LEU 76 Ca 0.31 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2w7r h LEU 76 Cb -0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2w7r h LEU 76 CO -0.06 0.62 -0.41 -0.07 0.09 0.00 0.00 178.44 178.61 2w7r h LEU 77 N 0.92 0.46 -0.32 1.67 3.38 -0.67 -3.06 115.31 117.68 2w7r h LEU 77 Ca 0.24 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2w7r h LEU 77 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2w7r h LEU 77 CO -0.05 0.82 -0.58 -0.07 0.09 0.00 0.00 178.44 178.65 2w7r h LEU 78 N 0.36 0.91 0.00 1.67 3.38 -0.77 -3.07 115.31 117.80 2w7r h LEU 78 Ca 0.03 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2w7r h LEU 78 Cb 0.87 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2w7r h LEU 78 CO 0.07 1.29 0.00 2.29 0.09 0.00 0.00 178.44 182.18 2w7r n LYS 79 N -3.99 0.34 -0.00 1.13 2.85 -0.68 -3.63 118.16 114.19 2w7r n LYS 79 Ca -0.04 0.02 -0.06 0.00 -1.05 0.00 0.00 58.31 57.18 2w7r n LYS 79 Cb 0.64 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.66 2w7r n LYS 79 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2w7r h SER 80 N 0.00 0.55 0.00 -5.58 0.87 -1.43 -3.48 113.55 104.49 2w7r h SER 80 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2w7r h SER 80 Cb 0.29 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2w7r h SER 80 CO 0.00 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 177.76 2w7r n GLY 81 N -0.17 1.50 0.20 5.77 0.00 -1.24 -4.36 105.19 106.89 2w7r n GLY 81 Ca -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 2w7r n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w7r n ASN 82 N 4.49 2.04 -4.41 1.61 3.02 -1.26 -4.89 115.26 115.86 2w7r n ASN 82 Ca 0.00 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 2w7r n ASN 82 Cb 0.00 -0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 38.57 2w7r n ASN 82 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2w7r s LYS 83 N -2.40 2.60 0.02 3.52 2.20 -1.26 -0.49 119.74 123.93 2w7r s LYS 83 Ca -0.29 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.58 2w7r s LYS 83 Cb 0.09 -2.35 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2w7r s LYS 83 CO 0.43 0.52 -0.05 0.54 -0.36 0.00 0.00 175.35 176.43 2w7r s VAL 84 N -0.46 0.30 -0.15 4.02 0.11 -0.72 -4.93 120.40 118.57 2w7r s VAL 84 Ca 0.06 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2w7r s VAL 84 Cb -0.12 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2w7r s VAL 84 CO 0.02 -0.28 -0.09 -0.55 -3.33 0.00 0.00 175.10 170.87 2w7r s SER 85 N -1.07 4.32 -0.16 3.54 0.15 -1.26 -0.78 113.70 118.44 2w7r s SER 85 Ca -0.08 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.30 2w7r s SER 85 Cb -0.07 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2w7r s SER 85 CO -0.00 0.14 -0.18 -0.63 1.20 0.00 0.00 173.24 173.77 2w7r s ILE 86 N 0.54 1.86 -0.14 6.45 1.01 0.80 0.22 121.20 131.94 2w7r s ILE 86 Ca -0.06 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2w7r s ILE 86 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2w7r s ILE 86 CO 0.03 0.51 0.47 -0.89 0.00 0.00 0.00 174.94 175.06 2w7r s THR 87 N 1.33 5.18 0.22 2.92 2.01 -0.25 -0.19 115.64 126.86 2w7r s THR 87 Ca 0.04 0.92 0.07 0.00 0.31 0.00 0.00 61.69 63.03 2w7r s THR 87 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2w7r s THR 87 CO -0.11 0.30 -0.10 0.42 -0.69 0.00 0.00 174.62 174.44 2w7r s THR 88 N 0.82 1.58 0.03 -0.82 -4.23 -1.26 -0.44 115.64 111.32 2w7r s THR 88 Ca 0.25 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2w7r s THR 88 Cb -0.15 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2w7r s THR 88 CO 0.10 -0.50 -0.03 0.28 -0.54 0.00 0.00 174.62 173.93 2w7r s THR 89 N -3.07 0.15 0.42 3.99 -1.32 -0.26 -4.89 115.64 110.67 2w7r s THR 89 Ca 0.24 -1.15 -0.26 0.00 -1.21 0.00 0.00 61.69 59.31 2w7r s THR 89 Cb 0.01 -0.60 -0.09 0.00 -1.51 0.00 0.00 72.50 70.31 2w7r s THR 89 CO 0.08 -0.63 1.42 -2.84 -2.21 0.00 0.00 174.62 170.43 2w7r s PRO 90 N -2.12 3.85 -1.15 7.08 0.02 -1.26 -2.52 135.00 138.90 2w7r s PRO 90 Ca -0.10 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.23 2w7r s PRO 90 Cb -0.05 -2.75 0.25 0.00 0.02 0.00 0.00 34.50 31.96 2w7r s PRO 90 CO -0.03 -0.68 1.26 0.34 -0.33 0.00 0.00 177.00 177.55 2w7r n PHE 91 N 0.03 4.90 -3.64 6.54 7.35 -1.26 -4.84 117.46 126.55 2w7r n PHE 91 Ca 0.04 -3.63 0.00 0.00 -0.76 0.00 0.00 57.45 53.10 2w7r n PHE 91 Cb 0.41 -1.81 -0.01 0.00 0.35 0.00 0.00 39.48 38.43 2w7r n PHE 91 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2w7r s GLU 92 N -0.62 0.51 0.17 -4.13 -1.05 -1.26 -5.09 118.70 107.22 2w7r s GLU 92 Ca 0.34 -0.28 -0.32 0.00 -0.15 0.00 0.00 54.97 54.57 2w7r s GLU 92 Cb -0.06 0.18 -0.11 0.00 -0.44 0.00 0.00 34.13 33.70 2w7r s GLU 92 CO -0.04 -0.23 1.68 1.21 0.95 0.00 0.00 175.26 178.82 2w7r s ASN 93 N -2.92 6.48 0.00 0.83 2.47 -1.26 -4.86 114.94 115.67 2w7r s ASN 93 Ca 0.13 2.73 0.03 0.00 0.42 0.00 0.00 52.86 56.18 2w7r s ASN 93 Cb 0.04 -2.59 0.04 0.00 -1.45 0.00 0.00 41.25 37.28 2w7r s ASN 93 CO -0.03 -0.92 0.68 0.35 -3.72 0.00 0.00 177.10 173.46 2w7r n THR 94 N 4.15 0.15 -3.95 -5.21 -2.24 -1.26 -5.05 114.28 100.87 2w7r n THR 94 Ca 0.15 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 2w7r n THR 94 Cb 0.37 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 2w7r n THR 94 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2w7r s GLU 95 N -0.39 3.44 -0.15 -0.78 2.02 -1.26 -5.10 118.70 116.49 2w7r s GLU 95 Ca 0.04 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 2w7r s GLU 95 Cb 0.03 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 2w7r s GLU 95 CO 0.04 0.49 -0.09 -0.08 0.02 0.00 0.00 175.26 175.64 2w7r s THR 96 N -1.83 3.43 0.40 3.63 -1.32 -1.26 -5.11 115.64 113.57 2w7r s THR 96 Ca 0.34 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 60.26 2w7r s THR 96 Cb -0.10 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 2w7r s THR 96 CO 0.29 0.51 0.68 -0.94 -2.21 0.00 0.00 174.62 172.94 2w7r s SER 97 N 0.42 6.34 0.00 8.08 1.04 -1.26 -5.33 113.70 123.00 2w7r s SER 97 Ca -0.07 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2w7r s SER 97 Cb -0.15 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2w7r s SER 97 CO 0.04 -0.40 0.51 1.33 0.98 0.00 0.00 173.24 175.70