#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgr s TRP 8 N 0.00 3.59 0.00 7.33 0.51 -1.26 -4.97 118.94 124.15 2wgr s TRP 8 Ca 0.00 1.18 0.00 0.00 -2.12 0.00 0.00 56.10 55.16 2wgr s TRP 8 Cb 0.00 -2.71 0.00 0.00 -0.81 0.00 0.00 33.47 29.95 2wgr s TRP 8 CO 0.00 0.17 0.00 0.09 -0.51 0.00 0.00 176.95 176.70 2wgr n ASN 9 N 3.49 2.79 -3.78 2.95 3.02 -1.26 -5.12 115.26 117.35 2wgr n ASN 9 Ca -0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 2wgr n ASN 9 Cb 0.51 0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.98 2wgr n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wgr s SER 10 N -1.86 -0.14 0.48 6.41 1.04 -1.26 -4.81 113.70 113.56 2wgr s SER 10 Ca 0.00 -0.56 0.32 0.00 0.48 0.00 0.00 55.95 56.19 2wgr s SER 10 Cb 0.00 0.49 1.34 0.00 0.10 0.00 0.00 66.02 67.95 2wgr s SER 10 CO 0.00 -0.93 1.94 0.16 0.98 0.00 0.00 173.24 175.39 2wgr h ILE 11 N 2.39 0.00 0.00 -1.02 3.07 -1.60 -3.01 117.51 117.33 2wgr h ILE 11 Ca -0.31 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2wgr h ILE 11 Cb 1.25 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 2wgr h ILE 11 CO 0.45 0.00 0.00 1.88 -1.05 0.00 0.00 178.15 179.43 2wgr h TYR 12 N 0.00 0.00 -0.00 0.16 0.05 -1.83 -2.36 116.97 112.99 2wgr h TYR 12 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wgr h TYR 12 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2wgr h TYR 12 CO 0.00 0.00 -0.03 0.39 -1.05 0.00 0.00 178.16 177.47 2wgr n GLU 13 N -2.39 0.25 -4.02 4.88 1.02 -1.14 -3.02 120.64 116.23 2wgr n GLU 13 Ca 0.01 -0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2wgr n GLU 13 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 2wgr n GLU 13 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2wgr s PHE 14 N -2.76 3.32 -0.07 -0.32 0.08 -0.89 -4.99 117.98 112.35 2wgr s PHE 14 Ca 0.22 0.17 0.05 0.00 0.12 0.00 0.00 56.93 57.48 2wgr s PHE 14 Cb 0.20 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2wgr s PHE 14 CO 0.50 0.55 -0.23 0.99 -0.10 0.00 0.00 175.22 176.94 2wgr s THR 15 N -1.38 1.92 0.08 0.64 2.01 -1.26 -0.98 115.64 116.67 2wgr s THR 15 Ca 0.29 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2wgr s THR 15 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 2wgr s THR 15 CO 0.22 0.53 -0.10 0.68 -0.69 0.00 0.00 174.62 175.26 2wgr s VAL 16 N 0.04 0.87 0.10 3.82 -7.23 -0.70 -4.95 120.40 112.36 2wgr s VAL 16 Ca -0.08 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 2wgr s VAL 16 Cb -0.15 -1.17 -0.06 0.00 0.56 0.00 0.00 36.38 35.57 2wgr s VAL 16 CO 0.05 -0.48 0.91 -0.54 -0.31 0.00 0.00 175.10 174.73 2wgr s LYS 17 N -2.42 4.65 1.09 4.82 1.02 -1.26 -0.30 119.74 127.35 2wgr s LYS 17 Ca 0.01 1.36 -0.17 0.00 0.02 0.00 0.00 55.97 57.18 2wgr s LYS 17 Cb -0.05 -3.37 0.24 0.00 -0.52 0.00 0.00 37.83 34.14 2wgr s LYS 17 CO 0.00 0.25 1.19 0.16 -0.92 0.00 0.00 175.35 176.03 2wgr s ASP 18 N -0.09 1.91 0.24 2.83 1.47 0.40 -0.74 116.67 122.69 2wgr s ASP 18 Ca 0.44 0.53 0.23 0.00 1.18 0.00 0.00 52.55 54.93 2wgr s ASP 18 Cb -0.23 -0.73 0.95 0.00 -0.34 0.00 0.00 42.92 42.58 2wgr s ASP 18 CO 0.28 -3.50 1.69 0.00 0.68 0.00 0.00 175.17 174.32 2wgr n ILE 19 N -4.33 0.84 0.97 2.11 3.06 -0.56 -1.38 119.36 120.07 2wgr n ILE 19 Ca 0.13 0.23 0.10 0.00 -2.50 0.00 0.00 62.75 60.72 2wgr n ILE 19 Cb 0.59 -1.15 0.32 0.00 0.54 0.00 0.00 39.64 39.94 2wgr n ILE 19 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2wgr n ASN 20 N -2.18 2.14 0.00 9.51 3.02 -1.26 -4.68 115.26 121.81 2wgr n ASN 20 Ca 0.02 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 2wgr n ASN 20 Cb 0.22 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2wgr n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wgr n GLY 21 N 1.22 0.54 3.80 7.41 0.00 -0.48 -5.05 105.19 112.63 2wgr n GLY 21 Ca 0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2wgr n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgr s VAL 22 N -2.00 5.16 -0.05 1.61 1.01 -1.26 -4.82 120.40 120.04 2wgr s VAL 22 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 2wgr s VAL 22 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2wgr s VAL 22 CO 0.00 0.50 1.13 -1.81 0.00 0.00 0.00 175.10 174.92 2wgr s ASP 23 N -0.44 7.13 -0.20 3.32 1.01 -1.26 -0.45 116.67 125.78 2wgr s ASP 23 Ca 0.22 1.75 0.01 0.00 0.71 0.00 0.00 52.55 55.24 2wgr s ASP 23 Cb -0.15 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.25 2wgr s ASP 23 CO 0.10 -0.51 -0.17 -0.69 0.21 0.00 0.00 175.17 174.11 2wgr s VAL 24 N 1.93 2.01 0.08 -1.27 1.01 0.59 -4.93 120.40 119.82 2wgr s VAL 24 Ca 0.54 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2wgr s VAL 24 Cb -0.23 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 2wgr s VAL 24 CO 0.22 0.37 1.25 -0.55 0.00 0.00 0.00 175.10 176.39 2wgr s SER 25 N 1.27 7.02 0.00 3.32 0.15 -1.26 -1.71 113.70 122.48 2wgr s SER 25 Ca 0.01 2.10 0.15 0.00 0.70 0.00 0.00 55.95 58.91 2wgr s SER 25 Cb -0.15 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.37 2wgr s SER 25 CO -0.11 -0.51 1.35 0.18 1.20 0.00 0.00 173.24 175.35 2wgr n LEU 26 N 3.87 0.00 -0.13 3.45 4.77 -0.15 -1.67 117.00 127.14 2wgr n LEU 26 Ca 0.09 0.16 0.27 0.00 -0.03 0.00 0.00 56.01 56.51 2wgr n LEU 26 Cb 0.45 -0.16 0.72 0.00 -2.33 0.00 0.00 43.42 42.09 2wgr n LEU 26 CO 0.56 -0.09 1.25 -0.08 -1.33 0.00 0.00 177.39 177.71 2wgr h GLU 27 N 0.00 0.00 -1.21 3.23 4.57 -1.77 -0.17 114.58 119.22 2wgr h GLU 27 Ca 0.00 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 58.53 2wgr h GLU 27 Cb 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.58 2wgr h GLU 27 CO 0.00 0.00 0.82 -0.22 -1.18 0.00 0.00 179.01 178.43 2wgr h LYS 28 N 0.00 0.17 -0.26 1.92 3.64 -1.67 -1.84 116.57 118.53 2wgr h LYS 28 Ca 0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2wgr h LYS 28 Cb 1.73 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2wgr h LYS 28 CO -0.00 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.95 2wgr n TYR 29 N -4.47 0.34 -1.63 1.91 4.01 -0.08 -4.97 117.16 112.27 2wgr n TYR 29 Ca 0.30 -0.17 -0.53 0.00 -0.16 0.00 0.00 57.90 57.34 2wgr n TYR 29 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.17 2wgr n TYR 29 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wgr n ARG 30 N 0.79 1.26 -0.54 -0.72 0.63 -0.69 -1.47 116.66 115.91 2wgr n ARG 30 Ca 0.17 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 2wgr n ARG 30 Cb 0.44 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.22 2wgr n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wgr n GLY 31 N 3.12 1.00 3.82 5.14 0.00 -0.98 -5.03 105.19 112.25 2wgr n GLY 31 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2wgr n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wgr s HIS 32 N -3.18 3.07 -0.20 1.61 3.76 -0.54 -4.80 115.29 115.00 2wgr s HIS 32 Ca 0.00 -0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 2wgr s HIS 32 Cb 0.00 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 2wgr s HIS 32 CO 0.00 0.50 0.43 0.08 -0.85 0.00 0.00 174.74 174.89 2wgr s VAL 33 N -2.16 5.18 -0.09 -0.90 1.01 -0.56 -3.87 120.40 119.01 2wgr s VAL 33 Ca 0.34 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 2wgr s VAL 33 Cb -0.08 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2wgr s VAL 33 CO 0.25 0.24 -0.04 0.00 0.00 0.00 0.00 175.10 175.54 2wgr s LEU 35 N -0.64 3.65 -0.25 0.00 2.96 -0.48 -0.52 118.68 123.39 2wgr s LEU 35 Ca 0.10 -1.11 -0.09 0.00 -0.22 0.00 0.00 54.13 52.81 2wgr s LEU 35 Cb -0.12 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2wgr s LEU 35 CO 0.02 -0.21 0.11 -0.63 -1.32 0.00 0.00 176.35 174.32 2wgr s ILE 36 N 1.29 4.76 -0.07 6.68 1.01 0.16 -0.88 121.20 134.15 2wgr s ILE 36 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2wgr s ILE 36 Cb -0.19 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.07 2wgr s ILE 36 CO -0.02 0.32 -0.11 -0.69 0.00 0.00 0.00 174.94 174.44 2wgr s VAL 37 N 1.49 1.06 -0.01 2.92 1.01 -0.62 -0.87 120.40 125.38 2wgr s VAL 37 Ca 0.06 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 2wgr s VAL 37 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2wgr s VAL 37 CO 0.06 0.34 0.77 0.54 0.00 0.00 0.00 175.10 176.81 2wgr s ASN 38 N 0.83 7.14 0.32 3.32 4.22 -1.17 -0.95 114.94 128.65 2wgr s ASN 38 Ca -0.12 1.36 0.07 0.00 -2.14 0.00 0.00 52.86 52.04 2wgr s ASN 38 Cb -0.15 -2.46 -0.06 0.00 1.28 0.00 0.00 41.25 39.86 2wgr s ASN 38 CO 0.02 -0.08 -0.04 0.68 -2.04 0.00 0.00 177.10 175.64 2wgr s VAL 39 N 0.46 1.73 -0.17 3.54 -7.23 -0.18 -0.23 120.40 118.32 2wgr s VAL 39 Ca 0.40 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.26 2wgr s VAL 39 Cb -0.19 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.18 2wgr s VAL 39 CO 0.22 -0.19 0.56 0.00 -0.31 0.00 0.00 175.10 175.37 2wgr s ALA 40 N -2.94 -1.39 -0.22 1.32 0.00 -1.26 -1.68 121.76 115.59 2wgr s ALA 40 Ca 0.32 1.42 0.19 0.00 0.00 0.00 0.00 51.96 53.88 2wgr s ALA 40 Cb 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2wgr s ALA 40 CO 0.14 -0.28 1.22 0.00 0.00 0.00 0.00 175.76 176.84 2wgr n LYS 42 N -2.99 3.22 -4.30 0.00 5.02 -0.40 -4.90 118.16 113.81 2wgr n LYS 42 Ca -0.01 -3.98 -0.21 0.00 -2.02 0.00 0.00 58.31 52.08 2wgr n LYS 42 Cb 0.68 -2.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 2wgr n LYS 42 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wgr s SER 43 N -2.77 2.47 0.48 4.39 1.04 -1.26 -4.82 113.70 113.24 2wgr s SER 43 Ca 0.53 -0.82 0.33 0.00 0.48 0.00 0.00 55.95 56.46 2wgr s SER 43 Cb 0.43 -0.13 1.63 0.00 0.10 0.00 0.00 66.02 68.05 2wgr s SER 43 CO -0.13 -0.05 1.99 1.23 0.98 0.00 0.00 173.24 177.26 2wgr h GLY 44 N 3.44 0.00 -0.07 7.32 0.00 -1.97 -2.25 103.07 109.54 2wgr h GLY 44 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2wgr h GLY 44 CO 0.49 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.59 2wgr n ALA 45 N -1.95 3.49 0.00 3.60 0.00 -1.26 -4.53 120.51 119.86 2wgr n ALA 45 Ca -0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 2wgr n ALA 45 Cb 0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2wgr n ALA 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wgr h THR 46 N 1.28 0.85 -0.13 0.00 2.02 -1.67 -2.47 112.91 112.79 2wgr h THR 46 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wgr h THR 46 Cb 0.58 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2wgr h THR 46 CO 0.00 0.00 0.08 0.44 0.37 0.00 0.00 175.52 176.41 2wgr h ASP 47 N -0.03 0.15 -0.30 4.18 3.32 -1.79 -1.28 116.42 120.67 2wgr h ASP 47 Ca 0.06 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2wgr h ASP 47 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2wgr h ASP 47 CO -0.12 0.12 -0.01 0.50 -1.72 0.00 0.00 179.24 178.01 2wgr h LYS 48 N 0.17 0.55 0.17 3.56 3.64 -1.85 -0.43 116.57 122.38 2wgr h LYS 48 Ca 0.05 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2wgr h LYS 48 Cb -0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wgr h LYS 48 CO -0.01 0.70 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.88 2wgr h ASN 49 N 0.34 -0.19 -0.68 4.20 2.35 -1.38 -2.16 115.58 118.06 2wgr h ASN 49 Ca 0.08 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2wgr h ASN 49 Cb 0.46 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 2wgr h ASN 49 CO 0.02 -0.03 0.38 1.88 -1.65 0.00 0.00 177.43 178.03 2wgr h TYR 50 N -0.34 0.93 -0.62 1.19 -1.99 -1.19 -0.77 116.97 114.17 2wgr h TYR 50 Ca -0.02 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.60 2wgr h TYR 50 Cb 0.26 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 2wgr h TYR 50 CO -0.03 0.65 0.05 0.00 -0.00 0.00 0.00 178.16 178.83 2wgr h ARG 51 N 0.93 1.06 -0.25 4.88 3.08 -1.03 -0.38 114.38 122.68 2wgr h ARG 51 Ca 0.24 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2wgr h ARG 51 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2wgr h ARG 51 CO -0.04 1.02 -0.19 1.96 -1.07 0.00 0.00 179.97 181.65 2wgr h GLN 52 N 0.97 0.58 -0.67 0.04 4.20 -1.32 -1.42 115.11 117.48 2wgr h GLN 52 Ca 0.18 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2wgr h GLN 52 Cb 0.50 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2wgr h GLN 52 CO 0.02 0.86 0.43 -0.07 -0.67 0.00 0.00 178.83 179.40 2wgr h LEU 53 N 0.29 0.73 -0.54 1.46 3.38 -0.97 0.20 115.31 119.86 2wgr h LEU 53 Ca 0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2wgr h LEU 53 Cb 0.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2wgr h LEU 53 CO 0.05 0.51 -0.11 -0.61 0.09 0.00 0.00 178.44 178.37 2wgr h GLN 54 N 0.86 1.04 -0.43 1.13 5.75 -0.97 0.10 115.11 122.59 2wgr h GLN 54 Ca 0.26 -0.39 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2wgr h GLN 54 Cb -0.04 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2wgr h GLN 54 CO -0.08 1.08 0.20 1.49 -2.65 0.00 0.00 178.83 178.87 2wgr h GLU 55 N 0.91 0.63 -0.65 1.69 4.22 -0.98 -1.41 114.58 119.00 2wgr h GLU 55 Ca 0.14 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 2wgr h GLU 55 Cb 0.68 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2wgr h GLU 55 CO 0.05 0.55 0.13 0.52 -2.18 0.00 0.00 179.01 178.08 2wgr h MET 56 N 0.56 1.06 -0.23 1.92 2.86 -0.78 -2.33 114.93 117.99 2wgr h MET 56 Ca 0.15 -0.27 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2wgr h MET 56 Cb 0.14 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 2wgr h MET 56 CO -0.02 0.97 -0.08 1.25 1.06 0.00 0.00 176.91 180.09 2wgr h HIS 57 N 0.98 -0.19 -0.69 -0.22 -0.00 -0.64 0.29 115.15 114.67 2wgr h HIS 57 Ca 0.20 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.62 2wgr h HIS 57 Cb 0.41 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.90 2wgr h HIS 57 CO 0.03 -0.14 0.44 1.15 -0.00 0.00 0.00 177.93 179.42 2wgr h THR 58 N -0.04 1.12 -0.00 6.26 2.02 -0.96 0.29 112.91 121.59 2wgr h THR 58 Ca 0.12 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 66.82 2wgr h THR 58 Cb 0.22 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2wgr h THR 58 CO -0.26 0.16 -0.82 -0.09 0.37 0.00 0.00 175.52 174.88 2wgr h ARG 59 N 0.88 0.09 -0.00 6.66 2.43 -1.17 -3.39 114.38 119.87 2wgr h ARG 59 Ca 0.27 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2wgr h ARG 59 Cb -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2wgr h ARG 59 CO -0.09 0.85 -0.05 1.28 -1.51 0.00 0.00 179.97 180.45 2wgr n LEU 60 N -3.63 0.42 -0.26 3.80 4.77 0.07 -4.59 117.00 117.57 2wgr n LEU 60 Ca -0.02 -0.66 0.04 0.00 -0.03 0.00 0.00 56.01 55.35 2wgr n LEU 60 Cb 0.77 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 42.14 2wgr n LEU 60 CO 0.46 0.10 1.24 1.62 -1.33 0.00 0.00 177.39 179.47 2wgr h VAL 61 N 0.11 1.06 0.00 4.08 3.04 -1.12 -1.77 116.25 121.66 2wgr h VAL 61 Ca 0.00 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 2wgr h VAL 61 Cb 0.05 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 2wgr h VAL 61 CO 0.00 0.17 -0.18 1.23 -1.01 0.00 0.00 177.57 177.79 2wgr h GLY 62 N 0.94 0.00 1.17 3.17 0.00 -1.82 -1.67 103.07 104.86 2wgr h GLY 62 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2wgr h GLY 62 CO -0.12 0.00 -0.45 0.28 0.00 0.00 0.00 176.54 176.24 2wgr n LYS 63 N -4.05 0.06 0.00 4.80 4.76 -0.73 -4.95 118.16 118.05 2wgr n LYS 63 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wgr n LYS 63 Cb 0.25 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2wgr n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wgr n GLY 64 N 1.47 0.87 3.71 0.72 0.00 -0.63 -4.97 105.19 106.37 2wgr n GLY 64 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wgr n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wgr s LEU 65 N 0.00 4.37 -0.22 0.99 2.96 -0.81 -1.50 118.68 124.47 2wgr s LEU 65 Ca 0.00 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 2wgr s LEU 65 Cb 0.00 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2wgr s LEU 65 CO 0.00 -0.38 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.45 2wgr s ARG 66 N 1.03 1.79 -0.11 1.98 1.81 0.11 -4.24 118.95 121.32 2wgr s ARG 66 Ca 0.56 -0.97 -0.21 0.00 -1.72 0.00 0.00 55.73 53.38 2wgr s ARG 66 Cb -0.26 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.65 2wgr s ARG 66 CO 0.29 -0.54 0.62 0.42 -0.68 0.00 0.00 175.30 175.40 2wgr s ILE 67 N 1.37 5.08 -0.23 1.52 1.01 -1.26 -1.38 121.20 127.32 2wgr s ILE 67 Ca -0.05 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.87 2wgr s ILE 67 Cb -0.18 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.38 2wgr s ILE 67 CO -0.07 0.24 -0.14 -0.76 0.00 0.00 0.00 174.94 174.22 2wgr s LEU 68 N 0.98 2.87 -0.24 2.97 1.43 -0.06 -2.34 118.68 124.29 2wgr s LEU 68 Ca 0.32 -1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.28 2wgr s LEU 68 Cb -0.17 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2wgr s LEU 68 CO 0.14 -0.12 0.01 0.00 0.23 0.00 0.00 176.35 176.61 2wgr s ALA 69 N 1.19 2.96 -0.36 4.21 0.00 -0.40 -1.60 121.76 127.77 2wgr s ALA 69 Ca -0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2wgr s ALA 69 Cb -0.17 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 21.13 2wgr s ALA 69 CO -0.08 -0.49 0.15 -0.06 0.00 0.00 0.00 175.76 175.28 2wgr s PHE 70 N 1.53 3.30 0.46 0.00 0.08 -0.13 -1.20 117.98 122.02 2wgr s PHE 70 Ca 0.06 -1.54 -0.25 0.00 0.12 0.00 0.00 56.93 55.31 2wgr s PHE 70 Cb -0.15 -2.52 -0.08 0.00 -0.57 0.00 0.00 43.02 39.70 2wgr s PHE 70 CO -0.00 -0.78 1.43 -2.30 -0.10 0.00 0.00 175.22 173.47 2wgr n PRO 71 N 4.81 2.23 -3.68 0.24 -0.02 -1.26 -1.01 135.00 136.31 2wgr n PRO 71 Ca -0.11 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2wgr n PRO 71 Cb 0.44 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 2wgr n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wgr n ASN 73 N 4.52 5.13 -0.25 0.00 5.15 -1.26 -4.24 115.26 124.31 2wgr n ASN 73 Ca -0.20 -2.65 0.14 0.00 -0.60 0.00 0.00 54.58 51.27 2wgr n ASN 73 Cb 0.54 -0.63 0.64 0.00 -0.53 0.00 0.00 39.78 39.81 2wgr n ASN 73 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wgr n GLN 74 N 0.89 1.19 -3.93 1.20 6.02 -1.26 -3.61 117.38 117.87 2wgr n GLN 74 Ca 0.26 -0.50 -0.30 0.00 -0.01 0.00 0.00 57.00 56.45 2wgr n GLN 74 Cb 1.02 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 30.65 2wgr n GLN 74 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2wgr s PHE 75 N -2.16 3.15 -0.33 1.08 0.08 -1.26 -4.73 117.98 113.81 2wgr s PHE 75 Ca 0.37 -2.93 0.00 0.00 0.12 0.00 0.00 56.93 54.49 2wgr s PHE 75 Cb 0.21 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2wgr s PHE 75 CO 0.39 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 2wgr n GLY 76 N 3.68 0.54 3.70 4.36 0.00 -1.26 -3.16 105.19 113.05 2wgr n GLY 76 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2wgr n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgr n GLY 77 N -1.31 -0.47 1.17 -0.02 0.00 -1.24 -4.91 105.19 98.42 2wgr n GLY 77 Ca -0.03 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2wgr n GLY 77 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wgr n GLN 78 N -4.67 2.50 -2.99 1.61 6.02 -1.19 -4.02 117.38 114.64 2wgr n GLN 78 Ca -0.07 -2.30 -0.22 0.00 -0.01 0.00 0.00 57.00 54.40 2wgr n GLN 78 Cb 0.58 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2wgr n GLN 78 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wgr n GLU 79 N 1.43 2.23 0.19 -1.09 4.07 -1.26 -1.27 120.64 124.94 2wgr n GLU 79 Ca 0.21 -4.15 0.06 0.00 -0.06 0.00 0.00 57.16 53.22 2wgr n GLU 79 Cb 0.58 -1.97 0.32 0.00 -0.06 0.00 0.00 31.44 30.31 2wgr n GLU 79 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2wgr h PRO 80 N 2.96 0.00 -7.31 5.31 0.13 -1.94 -3.40 132.00 127.75 2wgr h PRO 80 Ca 0.12 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.73 2wgr h PRO 80 Cb 0.76 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.02 2wgr h PRO 80 CO 0.68 0.37 0.31 -1.58 -0.23 0.00 0.00 178.00 177.54 2wgr s TRP 81 N -3.54 2.53 0.81 1.56 0.51 -1.26 -5.04 118.94 114.51 2wgr s TRP 81 Ca 0.01 1.57 -0.11 0.00 -2.12 0.00 0.00 56.10 55.44 2wgr s TRP 81 Cb 0.10 -3.06 0.08 0.00 -0.81 0.00 0.00 33.47 29.78 2wgr s TRP 81 CO 0.68 -1.85 1.09 0.00 -0.51 0.00 0.00 176.95 176.36 2wgr s ALA 82 N -2.89 2.08 0.23 0.98 0.00 -1.26 -4.81 121.76 116.10 2wgr s ALA 82 Ca 0.61 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 2wgr s ALA 82 Cb -0.17 -3.16 0.37 0.00 0.00 0.00 0.00 23.12 20.15 2wgr s ALA 82 CO 0.56 -1.87 1.77 0.93 0.00 0.00 0.00 175.76 177.15 2wgr h GLU 83 N -1.19 0.55 -0.89 0.00 3.07 -1.96 -0.94 114.58 113.22 2wgr h GLU 83 Ca -0.47 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2wgr h GLU 83 Cb 1.26 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 2wgr h GLU 83 CO 0.57 0.36 0.59 0.00 -1.40 0.00 0.00 179.01 179.13 2wgr h ALA 84 N 1.46 1.38 -0.10 3.43 0.00 -1.94 0.75 119.26 124.23 2wgr h ALA 84 Ca 0.37 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 2wgr h ALA 84 Cb 0.44 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wgr h ALA 84 CO -0.30 0.58 -0.83 0.93 0.00 0.00 0.00 179.25 179.62 2wgr h GLU 85 N 1.19 0.69 -0.24 0.00 3.07 -1.63 -1.32 114.58 116.35 2wgr h GLU 85 Ca 0.33 -0.61 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 2wgr h GLU 85 Cb -0.12 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2wgr h GLU 85 CO -0.08 1.21 0.13 0.82 -1.40 0.00 0.00 179.01 179.70 2wgr h ILE 86 N 0.45 1.11 -0.18 3.13 2.04 -0.82 -0.80 117.51 122.45 2wgr h ILE 86 Ca -0.07 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2wgr h ILE 86 Cb 1.46 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2wgr h ILE 86 CO 0.16 0.10 0.06 0.50 0.00 0.00 0.00 178.15 178.98 2wgr h LYS 87 N 0.28 0.14 -0.66 2.37 3.64 -0.80 -1.36 116.57 120.19 2wgr h LYS 87 Ca 0.08 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2wgr h LYS 87 Cb 0.05 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2wgr h LYS 87 CO -0.01 0.09 0.39 -0.22 -2.27 0.00 0.00 179.45 177.43 2wgr h LYS 88 N 0.15 0.71 -0.01 1.90 3.64 -1.13 -1.90 116.57 119.93 2wgr h LYS 88 Ca 0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wgr h LYS 88 Cb 0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2wgr h LYS 88 CO -0.07 0.47 0.01 0.35 -2.27 0.00 0.00 179.45 177.93 2wgr h PHE 89 N 0.73 0.02 -0.03 1.91 3.04 -0.71 -1.13 116.94 120.77 2wgr h PHE 89 Ca 0.28 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.08 2wgr h PHE 89 Cb 0.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 2wgr h PHE 89 CO -0.06 0.12 -0.66 -0.39 -2.02 0.00 0.00 178.31 175.29 2wgr h VAL 90 N -0.09 1.44 -0.05 1.41 -1.51 -1.16 -0.51 116.25 115.78 2wgr h VAL 90 Ca 0.00 -2.17 -0.13 0.00 -1.23 0.00 0.00 66.70 63.18 2wgr h VAL 90 Cb 0.10 2.15 0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2wgr h VAL 90 CO -0.00 0.63 -0.47 0.71 -1.23 0.00 0.00 177.57 177.21 2wgr h THR 91 N 0.09 1.42 -0.50 7.19 1.35 -1.32 -1.33 112.91 119.82 2wgr h THR 91 Ca -0.01 -1.90 -0.09 0.00 -0.55 0.00 0.00 66.41 63.86 2wgr h THR 91 Cb 1.18 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 70.00 2wgr h THR 91 CO 0.09 0.55 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.54 2wgr h GLU 92 N -0.09 0.91 0.15 4.72 5.08 -1.14 -0.79 114.58 123.42 2wgr h GLU 92 Ca -0.04 -0.32 -0.30 0.00 -1.00 0.00 0.00 59.36 57.70 2wgr h GLU 92 Cb 1.15 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.33 2wgr h GLU 92 CO 0.09 0.96 -1.44 -0.22 -1.00 0.00 0.00 179.01 177.41 2wgr h LYS 93 N 0.77 0.31 0.00 2.33 3.64 -1.18 -3.40 116.57 119.04 2wgr h LYS 93 Ca 0.13 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2wgr h LYS 93 Cb 0.59 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2wgr h LYS 93 CO 0.04 1.21 0.00 0.66 -2.27 0.00 0.00 179.45 179.09 2wgr n TYR 94 N -3.53 0.00 -2.98 1.91 4.01 -0.53 -5.02 117.16 111.03 2wgr n TYR 94 Ca -0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.39 2wgr n TYR 94 Cb 1.05 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.11 2wgr n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgr n GLY 95 N 0.52 -0.45 3.68 2.72 0.00 -0.30 -4.88 105.19 106.47 2wgr n GLY 95 Ca 0.00 0.08 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 2wgr n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wgr n VAL 96 N -4.46 0.38 0.38 1.61 0.31 -1.17 -4.86 118.33 110.52 2wgr n VAL 96 Ca -0.11 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.19 2wgr n VAL 96 Cb 0.62 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 2wgr n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wgr n GLN 97 N 5.53 3.97 -1.75 5.55 1.13 -1.26 -4.81 117.38 125.73 2wgr n GLN 97 Ca 0.20 -0.09 -0.27 0.00 -1.94 0.00 0.00 57.00 54.90 2wgr n GLN 97 Cb 0.30 -0.91 0.19 0.00 0.11 0.00 0.00 30.24 29.93 2wgr n GLN 97 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 2wgr n PHE 98 N -1.04 -4.00 -3.16 1.08 1.16 -1.26 -5.01 117.46 105.23 2wgr n PHE 98 Ca 0.02 -1.08 -0.40 0.00 -1.87 0.00 0.00 57.45 54.12 2wgr n PHE 98 Cb 0.14 -0.95 -0.06 0.00 -1.61 0.00 0.00 39.48 37.00 2wgr n PHE 98 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2wgr s ASP 99 N -5.48 6.67 -0.08 5.98 1.01 -0.99 -5.02 116.67 118.78 2wgr s ASP 99 Ca 0.69 0.82 -0.04 0.00 0.71 0.00 0.00 52.55 54.73 2wgr s ASP 99 Cb -0.02 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 2wgr s ASP 99 CO 0.49 -0.22 0.10 -0.04 0.21 0.00 0.00 175.17 175.71 2wgr s MET 100 N 1.66 3.25 0.40 8.23 -1.94 -1.26 -1.27 119.30 128.36 2wgr s MET 100 Ca 0.28 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 54.04 2wgr s MET 100 Cb -0.16 -3.01 -0.07 0.00 2.01 0.00 0.00 34.83 33.60 2wgr s MET 100 CO 0.11 0.72 0.02 -0.06 -0.01 0.00 0.00 175.02 175.80 2wgr s PHE 101 N -1.06 2.52 0.72 -0.03 0.08 -0.34 -1.49 117.98 118.37 2wgr s PHE 101 Ca 0.18 -0.61 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 2wgr s PHE 101 Cb -0.12 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2wgr s PHE 101 CO 0.07 0.43 1.09 -1.12 -0.10 0.00 0.00 175.22 175.60 2wgr s SER 102 N -3.72 4.88 0.31 1.36 0.01 0.08 -4.11 113.70 112.50 2wgr s SER 102 Ca 0.36 1.84 -0.29 0.00 1.31 0.00 0.00 55.95 59.17 2wgr s SER 102 Cb 0.07 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 2wgr s SER 102 CO 0.19 -1.78 1.35 -0.75 0.41 0.00 0.00 173.24 172.66 2wgr s LYS 103 N -4.64 4.31 0.23 12.44 2.20 -1.26 -4.31 119.74 128.71 2wgr s LYS 103 Ca 0.62 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 2wgr s LYS 103 Cb -0.18 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2wgr s LYS 103 CO 0.50 -0.27 0.10 0.96 -0.36 0.00 0.00 175.35 176.28 2wgr s ILE 104 N -0.85 0.33 0.12 5.43 -4.36 -0.48 -4.99 121.20 116.41 2wgr s ILE 104 Ca 0.52 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.78 2wgr s ILE 104 Cb -0.41 -2.54 -0.06 0.00 1.25 0.00 0.00 42.46 40.70 2wgr s ILE 104 CO 0.51 -0.04 0.50 -0.54 0.24 0.00 0.00 174.94 175.61 2wgr s LYS 105 N -4.08 3.92 -0.01 0.37 1.02 -1.26 -4.29 119.74 115.41 2wgr s LYS 105 Ca 0.37 0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.85 2wgr s LYS 105 Cb 0.07 -2.97 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 2wgr s LYS 105 CO 0.12 0.52 0.22 1.33 -0.92 0.00 0.00 175.35 176.62 2wgr n VAL 106 N 0.91 0.00 -4.40 3.17 0.24 -1.26 -0.80 118.33 116.19 2wgr n VAL 106 Ca -0.07 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.34 61.79 2wgr n VAL 106 Cb 0.52 0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 2wgr n VAL 106 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2wgr s ASN 107 N -2.82 3.16 0.00 -1.34 0.01 -1.26 -4.73 114.94 107.96 2wgr s ASN 107 Ca -0.02 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 2wgr s ASN 107 Cb 0.06 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.49 2wgr s ASN 107 CO 0.36 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 2wgr n GLY 108 N -0.14 -0.38 0.20 0.66 0.00 -1.26 -3.82 105.19 100.45 2wgr n GLY 108 Ca -0.09 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.29 2wgr n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wgr h SER 109 N 0.00 0.00 -0.63 1.61 4.64 -2.02 -2.19 113.55 114.96 2wgr h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wgr h SER 109 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wgr h SER 109 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2wgr n ASP 110 N -2.60 3.76 -4.65 4.97 8.00 -1.26 -4.98 116.55 119.79 2wgr n ASP 110 Ca 0.01 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.13 2wgr n ASP 110 Cb 0.23 -0.42 0.04 0.00 -0.02 0.00 0.00 41.12 40.95 2wgr n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wgr n ALA 111 N 1.58 0.60 -1.75 2.24 0.00 -0.83 -4.57 120.51 117.79 2wgr n ALA 111 Ca 0.23 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 2wgr n ALA 111 Cb 0.61 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 17.89 2wgr n ALA 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wgr n ASP 112 N -0.58 3.26 -0.31 0.00 -0.08 0.02 -4.81 116.55 114.05 2wgr n ASP 112 Ca 0.12 1.16 0.17 0.00 -1.51 0.00 0.00 54.79 54.73 2wgr n ASP 112 Cb 0.45 -1.57 0.42 0.00 2.34 0.00 0.00 41.12 42.75 2wgr n ASP 112 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2wgr h ASP 113 N 2.50 0.60 -0.58 1.67 3.32 -1.91 -0.11 116.42 121.91 2wgr h ASP 113 Ca -0.50 0.08 0.11 0.00 0.02 0.00 0.00 57.03 56.74 2wgr h ASP 113 Cb 1.27 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 2wgr h ASP 113 CO 0.62 0.20 0.11 0.25 -1.72 0.00 0.00 179.24 178.70 2wgr h LEU 114 N 0.58 -0.03 -0.48 1.55 5.85 -1.94 -0.53 115.31 120.31 2wgr h LEU 114 Ca 0.55 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 59.21 2wgr h LEU 114 Cb 1.11 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2wgr h LEU 114 CO -0.30 -0.00 -0.71 1.88 -0.34 0.00 0.00 178.44 178.96 2wgr h TYR 115 N 0.24 0.38 -0.79 1.25 -1.99 -1.39 -0.28 116.97 114.39 2wgr h TYR 115 Ca 0.30 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.92 2wgr h TYR 115 Cb 0.45 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.07 2wgr h TYR 115 CO -0.26 0.90 0.49 0.87 -0.00 0.00 0.00 178.16 180.16 2wgr h LYS 116 N 0.19 0.89 0.11 4.88 1.57 -0.94 -0.69 116.57 122.58 2wgr h LYS 116 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2wgr h LYS 116 Cb 1.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2wgr h LYS 116 CO 0.11 0.59 -0.05 0.35 -0.57 0.00 0.00 179.45 179.88 2wgr h PHE 117 N 0.91 -0.14 -0.48 -1.35 3.04 -0.77 -1.98 116.94 116.18 2wgr h PHE 117 Ca 0.34 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.34 2wgr h PHE 117 Cb 0.11 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 2wgr h PHE 117 CO -0.04 0.07 0.19 -0.07 -2.02 0.00 0.00 178.31 176.45 2wgr h LEU 118 N -0.33 0.23 -1.16 0.59 3.38 -0.82 -1.49 115.31 115.71 2wgr h LEU 118 Ca -0.02 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2wgr h LEU 118 Cb 0.27 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wgr h LEU 118 CO 0.03 0.17 -0.32 0.11 0.09 0.00 0.00 178.44 178.52 2wgr h LYS 119 N 0.39 0.18 -0.00 1.13 1.57 -1.12 -0.84 116.57 117.87 2wgr h LYS 119 Ca 0.22 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2wgr h LYS 119 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2wgr h LYS 119 CO -0.20 0.48 -0.57 0.66 -0.57 0.00 0.00 179.45 179.25 2wgr h SER 120 N 0.16 0.00 0.63 0.86 4.64 -0.54 -3.25 113.55 116.05 2wgr h SER 120 Ca 0.02 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 2wgr h SER 120 Cb 0.64 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 2wgr h SER 120 CO 0.05 0.57 -1.51 0.54 -0.87 0.00 0.00 176.83 175.61 2wgr n ARG 121 N -3.86 0.62 -3.65 4.77 5.12 -0.64 -4.70 116.66 114.33 2wgr n ARG 121 Ca -0.01 0.25 -0.29 0.00 -1.93 0.00 0.00 57.85 55.87 2wgr n ARG 121 Cb 0.58 -1.81 -0.14 0.00 -1.16 0.00 0.00 32.46 29.93 2wgr n ARG 121 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2wgr s GLN 122 N -2.81 0.71 0.66 5.56 -1.52 -0.35 -4.96 119.66 116.95 2wgr s GLN 122 Ca -0.03 -1.22 -0.15 0.00 -1.95 0.00 0.00 55.36 52.01 2wgr s GLN 122 Cb 0.08 -1.79 0.00 0.00 -0.22 0.00 0.00 33.01 31.09 2wgr s GLN 122 CO 0.82 -1.07 1.11 -1.01 -0.25 0.00 0.00 175.29 174.88 2wgr s HIS 123 N 1.34 2.64 0.67 0.91 3.76 -1.24 -4.49 115.29 118.89 2wgr s HIS 123 Ca 0.13 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 56.59 2wgr s HIS 123 Cb -0.20 -3.15 0.11 0.00 1.11 0.00 0.00 32.58 30.45 2wgr s HIS 123 CO -0.17 -1.66 0.93 0.20 -0.85 0.00 0.00 174.74 173.19 2wgr s GLY 124 N -2.64 1.77 -0.12 -2.22 0.00 -1.24 -4.99 107.32 97.88 2wgr s GLY 124 Ca 0.66 -1.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 2wgr s GLY 124 CO 0.42 -1.20 0.57 -0.51 0.00 0.00 0.00 173.10 172.38 2wgr s THR 125 N -3.02 5.12 0.00 0.90 -4.23 -1.26 -4.10 115.64 109.04 2wgr s THR 125 Ca 0.64 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 62.27 2wgr s THR 125 Cb -0.06 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2wgr s THR 125 CO 0.43 0.26 0.00 -0.11 -0.54 0.00 0.00 174.62 174.65 2wgr n LEU 126 N 4.02 0.33 0.00 4.79 7.94 -1.26 -4.72 117.00 128.10 2wgr n LEU 126 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2wgr n LEU 126 Cb 0.51 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.94 2wgr n LEU 126 CO 0.44 -0.17 0.00 1.07 -1.11 0.00 0.00 177.39 177.62 2wgr n THR 127 N -2.03 0.00 1.04 1.96 5.66 -1.26 -5.04 114.28 114.61 2wgr n THR 127 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 2wgr n THR 127 Cb 0.01 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.84 2wgr n THR 127 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2wgr n ASN 128 N 0.00 1.48 -4.74 1.09 5.03 -1.26 -3.68 115.26 113.17 2wgr n ASN 128 Ca 0.00 -1.18 -0.42 0.00 0.87 0.00 0.00 54.58 53.85 2wgr n ASN 128 Cb 0.00 0.53 -0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2wgr n ASN 128 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2wgr n ASN 129 N -0.62 3.32 -4.72 6.41 3.02 -1.26 -4.48 115.26 116.93 2wgr n ASN 129 Ca 0.08 1.21 -0.43 0.00 -0.03 0.00 0.00 54.58 55.42 2wgr n ASN 129 Cb 0.40 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 2wgr n ASN 129 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2wgr n ILE 130 N 0.34 0.29 0.05 2.41 2.08 -1.26 -4.91 119.36 118.37 2wgr n ILE 130 Ca 0.03 -0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.15 2wgr n ILE 130 Cb 0.38 -1.89 -0.13 0.00 -0.75 0.00 0.00 39.64 37.24 2wgr n ILE 130 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2wgr h LYS 131 N 6.04 0.13 0.00 0.38 1.79 -1.98 -3.49 116.57 119.44 2wgr h LYS 131 Ca -0.44 -0.22 0.09 0.00 -2.18 0.00 0.00 60.65 57.90 2wgr h LYS 131 Cb 1.22 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 2wgr h LYS 131 CO 0.90 0.99 0.43 1.87 -1.08 0.00 0.00 179.45 182.56 2wgr n TRP 132 N -3.36 -1.54 -1.69 -1.35 -0.00 -1.26 -5.08 117.44 103.16 2wgr n TRP 132 Ca -0.10 -1.25 -0.39 0.00 -0.00 0.00 0.00 57.50 55.76 2wgr n TRP 132 Cb 1.01 0.62 0.04 0.00 -0.00 0.00 0.00 31.31 32.97 2wgr n TRP 132 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2wgr n ASN 133 N -1.28 2.01 -1.87 5.87 3.02 -1.26 -3.84 115.26 117.91 2wgr n ASN 133 Ca -0.04 0.95 -0.12 0.00 -0.03 0.00 0.00 54.58 55.35 2wgr n ASN 133 Cb 0.51 -1.49 0.03 0.00 -0.61 0.00 0.00 39.78 38.21 2wgr n ASN 133 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wgr n PHE 134 N -1.06 -1.23 -2.05 3.10 3.72 0.68 -4.65 117.46 115.97 2wgr n PHE 134 Ca 0.11 0.38 -0.32 0.00 -0.05 0.00 0.00 57.45 57.57 2wgr n PHE 134 Cb 0.44 -2.95 0.01 0.00 -0.94 0.00 0.00 39.48 36.04 2wgr n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wgr s SER 135 N -2.99 5.93 -0.01 4.37 0.15 -1.25 -4.20 113.70 115.70 2wgr s SER 135 Ca 0.22 1.72 0.04 0.00 0.70 0.00 0.00 55.95 58.64 2wgr s SER 135 Cb -0.10 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2wgr s SER 135 CO 0.27 -1.07 -0.14 -0.54 1.20 0.00 0.00 173.24 172.97 2wgr s LYS 136 N -4.24 1.15 -0.05 5.44 3.01 -1.03 -3.02 119.74 121.00 2wgr s LYS 136 Ca 0.62 -0.51 0.06 0.00 -1.01 0.00 0.00 55.97 55.13 2wgr s LYS 136 Cb -0.14 -1.11 -0.02 0.00 -1.01 0.00 0.00 37.83 35.55 2wgr s LYS 136 CO 0.39 0.30 -0.23 -0.06 0.51 0.00 0.00 175.35 176.26 2wgr s PHE 137 N -0.33 2.46 -0.15 3.18 0.08 -0.05 -0.56 117.98 122.61 2wgr s PHE 137 Ca 0.05 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.46 2wgr s PHE 137 Cb -0.05 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2wgr s PHE 137 CO -0.01 -0.12 0.10 -1.17 -0.10 0.00 0.00 175.22 173.92 2wgr s LEU 138 N -0.33 4.08 -0.07 -0.37 2.96 -0.20 -0.66 118.68 124.08 2wgr s LEU 138 Ca 0.02 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2wgr s LEU 138 Cb -0.12 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2wgr s LEU 138 CO 0.02 0.29 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.51 2wgr s VAL 139 N -0.29 1.25 0.74 1.68 1.01 0.32 -0.86 120.40 124.25 2wgr s VAL 139 Ca 0.10 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2wgr s VAL 139 Cb -0.12 -1.14 0.17 0.00 0.00 0.00 0.00 36.38 35.29 2wgr s VAL 139 CO 0.01 0.38 1.00 -0.90 0.00 0.00 0.00 175.10 175.60 2wgr n ASP 140 N 3.87 0.04 0.00 3.32 5.68 -0.33 -1.49 116.55 127.63 2wgr n ASP 140 Ca -0.22 -1.35 0.09 0.00 -0.50 0.00 0.00 54.79 52.81 2wgr n ASP 140 Cb 0.52 -0.77 0.47 0.00 -1.14 0.00 0.00 41.12 40.20 2wgr n ASP 140 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wgr n ARG 141 N -3.14 0.35 -0.31 0.11 1.74 -1.25 -1.44 116.66 112.71 2wgr n ARG 141 Ca 0.13 0.08 0.07 0.00 -0.77 0.00 0.00 57.85 57.36 2wgr n ARG 141 Cb 0.44 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.58 2wgr n ARG 141 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wgr n GLN 142 N -1.20 2.90 -1.01 5.56 3.00 -1.26 -2.32 117.38 123.04 2wgr n GLN 142 Ca 0.10 -2.44 -0.00 0.00 -0.01 0.00 0.00 57.00 54.65 2wgr n GLN 142 Cb 0.12 -1.55 -0.00 0.00 0.00 0.00 0.00 30.24 28.80 2wgr n GLN 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wgr n GLY 143 N -0.01 0.46 3.66 1.08 0.00 -0.52 -4.85 105.19 105.00 2wgr n GLY 143 Ca 0.16 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2wgr n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wgr s GLN 144 N -1.17 4.15 -0.01 1.61 -1.52 -1.26 -1.53 119.66 119.93 2wgr s GLN 144 Ca 0.00 0.23 -0.30 0.00 -1.95 0.00 0.00 55.36 53.34 2wgr s GLN 144 Cb 0.00 -3.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.17 2wgr s GLN 144 CO 0.00 -0.11 1.50 -2.14 -0.25 0.00 0.00 175.29 174.29 2wgr s PRO 145 N 1.53 4.24 -0.00 2.91 0.02 -1.26 -1.19 135.00 141.25 2wgr s PRO 145 Ca 0.20 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.29 2wgr s PRO 145 Cb -0.15 -3.68 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 2wgr s PRO 145 CO 0.09 -0.67 0.03 1.33 -0.33 0.00 0.00 177.00 177.44 2wgr n VAL 146 N 4.89 0.00 -3.64 3.83 0.24 -0.04 -4.83 118.33 118.78 2wgr n VAL 146 Ca 0.15 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 2wgr n VAL 146 Cb 0.43 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 2wgr n VAL 146 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wgr s LYS 147 N -1.57 0.88 0.01 7.34 2.20 -1.19 -5.01 119.74 122.41 2wgr s LYS 147 Ca 0.00 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.66 2wgr s LYS 147 Cb 0.01 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 2wgr s LYS 147 CO 0.04 -0.26 -0.13 0.50 -0.36 0.00 0.00 175.35 175.14 2wgr s ARG 148 N -1.35 0.95 0.02 4.03 3.52 -1.26 -1.03 118.95 123.84 2wgr s ARG 148 Ca -0.12 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2wgr s ARG 148 Cb -0.02 -0.93 -0.02 0.00 -1.56 0.00 0.00 34.95 32.41 2wgr s ARG 148 CO 0.06 0.24 -0.14 0.71 -0.81 0.00 0.00 175.30 175.36 2wgr s TYR 149 N -0.55 1.27 0.79 5.12 2.02 0.28 -5.01 117.35 121.26 2wgr s TYR 149 Ca 0.03 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.28 2wgr s TYR 149 Cb -0.06 -0.77 0.07 0.00 -0.40 0.00 0.00 41.96 40.80 2wgr s TYR 149 CO 0.00 0.02 1.19 -1.54 -1.57 0.00 0.00 175.55 173.66 2wgr s SER 150 N -0.89 3.81 0.37 2.29 1.04 -1.26 -2.47 113.70 116.59 2wgr s SER 150 Ca 0.03 2.31 0.14 0.00 0.48 0.00 0.00 55.95 58.92 2wgr s SER 150 Cb -0.07 -2.58 0.99 0.00 0.10 0.00 0.00 66.02 64.46 2wgr s SER 150 CO 0.01 -2.52 1.77 -0.65 0.98 0.00 0.00 173.24 172.83 2wgr h PRO 151 N -0.77 0.49 -0.07 4.02 0.11 -1.83 -0.43 132.00 133.52 2wgr h PRO 151 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wgr h PRO 151 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wgr h PRO 151 CO 0.47 0.32 0.00 0.25 -0.21 0.00 0.00 178.00 178.84 2wgr n THR 152 N -4.69 0.09 -2.18 -1.15 -2.24 -1.26 -4.65 114.28 98.19 2wgr n THR 152 Ca 0.25 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 2wgr n THR 152 Cb 0.78 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 2wgr n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wgr s THR 153 N -1.91 3.77 0.37 4.28 2.01 -0.17 -4.98 115.64 119.01 2wgr s THR 153 Ca 0.35 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 2wgr s THR 153 Cb 0.18 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 2wgr s THR 153 CO 0.28 -0.37 1.39 0.00 -0.69 0.00 0.00 174.62 175.23 2wgr s ALA 154 N 5.19 3.47 0.29 7.40 0.00 -1.26 -4.90 121.76 131.95 2wgr s ALA 154 Ca 0.69 1.40 0.04 0.00 0.00 0.00 0.00 51.96 54.08 2wgr s ALA 154 Cb -0.22 -3.54 0.76 0.00 0.00 0.00 0.00 23.12 20.11 2wgr s ALA 154 CO 0.29 -0.88 1.68 -1.35 0.00 0.00 0.00 175.76 175.50 2wgr h PRO 155 N 3.04 0.31 -0.09 0.00 0.11 -1.91 0.47 132.00 133.94 2wgr h PRO 155 Ca -0.50 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.62 2wgr h PRO 155 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wgr h PRO 155 CO 0.64 0.21 0.07 1.88 -0.21 0.00 0.00 178.00 180.59 2wgr h TYR 156 N 0.32 0.00 0.00 0.65 0.05 -1.90 -0.79 116.97 115.30 2wgr h TYR 156 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.35 2wgr h TYR 156 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 2wgr h TYR 156 CO -0.17 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.69 2wgr n ASP 157 N -4.28 0.00 -0.38 3.88 8.00 0.16 -2.00 116.55 121.93 2wgr n ASP 157 Ca -0.01 0.26 0.10 0.00 0.71 0.00 0.00 54.79 55.84 2wgr n ASP 157 Cb 0.18 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 2wgr n ASP 157 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2wgr n ILE 158 N -1.38 0.00 -0.25 0.53 5.41 -0.30 -4.57 119.36 118.80 2wgr n ILE 158 Ca 0.06 -0.26 0.01 0.00 1.00 0.00 0.00 62.75 63.55 2wgr n ILE 158 Cb 0.15 1.20 0.13 0.00 -0.71 0.00 0.00 39.64 40.40 2wgr n ILE 158 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2wgr h GLU 159 N 1.86 0.64 -0.59 0.38 4.81 -1.43 -1.18 114.58 119.07 2wgr h GLU 159 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2wgr h GLU 159 Cb 0.64 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2wgr h GLU 159 CO 0.00 0.42 0.30 0.78 -0.73 0.00 0.00 179.01 179.78 2wgr h GLY 160 N 0.66 0.91 1.08 1.92 0.00 -1.80 0.23 103.07 106.06 2wgr h GLY 160 Ca 0.34 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2wgr h GLY 160 CO -0.24 0.42 0.21 -0.55 0.00 0.00 0.00 176.54 176.38 2wgr h ASP 161 N 0.81 1.08 -0.06 0.19 3.32 -1.77 -0.92 116.42 119.06 2wgr h ASP 161 Ca 0.21 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wgr h ASP 161 Cb 0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2wgr h ASP 161 CO -0.03 1.01 0.04 0.40 -1.72 0.00 0.00 179.24 178.94 2wgr h ILE 162 N 1.10 1.06 -0.69 0.35 2.04 -0.75 -2.54 117.51 118.08 2wgr h ILE 162 Ca 0.23 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.01 2wgr h ILE 162 Cb 0.33 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2wgr h ILE 162 CO -0.00 0.05 0.38 0.24 0.00 0.00 0.00 178.15 178.81 2wgr h MET 163 N 0.04 0.67 -0.69 2.37 2.86 -0.24 0.14 114.93 120.08 2wgr h MET 163 Ca 0.02 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2wgr h MET 163 Cb 0.05 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.48 2wgr h MET 163 CO -0.00 0.44 0.33 1.49 1.06 0.00 0.00 176.91 180.23 2wgr h GLU 164 N 0.69 0.56 0.01 1.72 4.81 -1.00 -1.70 114.58 119.67 2wgr h GLU 164 Ca 0.31 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.31 2wgr h GLU 164 Cb 0.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2wgr h GLU 164 CO -0.19 0.37 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.48 2wgr h LEU 165 N 0.57 0.08 -1.47 1.64 3.38 -0.98 -3.07 115.31 115.47 2wgr h LEU 165 Ca 0.34 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2wgr h LEU 165 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2wgr h LEU 165 CO -0.27 0.94 -0.17 -0.07 0.09 0.00 0.00 178.44 178.96 2wgr h LEU 166 N 0.03 0.00 0.00 1.67 3.38 -0.24 -2.27 115.31 117.88 2wgr h LEU 166 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wgr h LEU 166 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2wgr h LEU 166 CO 0.12 0.17 -0.08 -0.62 0.09 0.00 0.00 178.44 178.13 2wgr n GLU 167 N -3.46 0.24 -2.66 1.13 4.71 -0.69 -4.90 120.64 115.02 2wgr n GLU 167 Ca -0.01 0.18 -0.32 0.00 -0.01 0.00 0.00 57.16 57.00 2wgr n GLU 167 Cb 0.35 -1.76 -0.05 0.00 -1.01 0.00 0.00 31.44 28.97 2wgr n GLU 167 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2wgr s LYS 168 N -3.10 4.08 0.00 3.49 1.02 -0.86 -5.11 119.74 119.26 2wgr s LYS 168 Ca 0.10 1.00 0.16 0.00 0.02 0.00 0.00 55.97 57.26 2wgr s LYS 168 Cb 0.13 -2.18 0.98 0.00 -0.52 0.00 0.00 37.83 36.24 2wgr s LYS 168 CO 0.61 -0.12 1.39 0.36 -0.92 0.00 0.00 175.35 176.67