#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk s VAL 2 N 0.00 4.94 0.24 3.17 0.11 -1.26 -1.54 120.40 126.05 2wdk s VAL 2 Ca 0.00 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 2wdk s VAL 2 Cb 0.00 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 2wdk s VAL 2 CO 0.00 -0.73 0.24 0.29 -3.33 0.00 0.00 175.10 171.57 2wdk n LYS 3 N -1.99 0.35 -3.64 1.54 5.02 0.14 -3.50 118.16 116.08 2wdk n LYS 3 Ca -0.00 -2.21 -0.24 0.00 -2.02 0.00 0.00 58.31 53.83 2wdk n LYS 3 Cb 0.55 1.90 -0.17 0.00 -0.02 0.00 0.00 35.03 37.29 2wdk n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wdk s ILE 4 N -2.87 -0.05 0.28 -0.18 1.01 -1.12 -2.40 121.20 115.88 2wdk s ILE 4 Ca 0.26 -0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 2wdk s ILE 4 Cb 0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2wdk s ILE 4 CO 0.18 -0.12 0.54 0.00 0.00 0.00 0.00 174.94 175.54 2wdk s ARG 5 N 2.13 1.71 -0.16 2.79 1.70 0.58 -1.49 118.95 126.20 2wdk s ARG 5 Ca 0.03 -1.32 -0.20 0.00 -0.47 0.00 0.00 55.73 53.77 2wdk s ARG 5 Cb -0.15 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2wdk s ARG 5 CO -0.07 -0.73 0.56 -0.51 -1.08 0.00 0.00 175.30 173.47 2wdk s LEU 6 N -3.05 4.20 -0.40 -1.89 1.02 -1.26 -1.13 118.68 116.16 2wdk s LEU 6 Ca 0.22 0.81 -0.03 0.00 0.02 0.00 0.00 54.13 55.15 2wdk s LEU 6 Cb -0.02 -2.80 0.11 0.00 0.02 0.00 0.00 46.19 43.50 2wdk s LEU 6 CO 0.11 -0.16 0.19 0.00 0.02 0.00 0.00 176.35 176.51 2wdk s ALA 7 N 1.39 3.13 1.01 4.21 0.00 -0.98 -4.89 121.76 125.63 2wdk s ALA 7 Ca 0.27 -2.50 -0.16 0.00 0.00 0.00 0.00 51.96 49.57 2wdk s ALA 7 Cb -0.16 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.60 2wdk s ALA 7 CO 0.11 -1.77 -0.06 -2.13 0.00 0.00 0.00 175.76 171.91 2wdk n ARG 8 N 4.58 -0.63 0.00 0.00 0.63 -1.26 -2.39 116.66 117.60 2wdk n ARG 8 Ca -0.02 -0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2wdk n ARG 8 Cb 0.41 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.71 2wdk n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wdk n PHE 9 N -3.68 0.00 -4.29 -0.14 3.72 0.34 -4.80 117.46 108.61 2wdk n PHE 9 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2wdk n PHE 9 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 2wdk n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdk n GLY 10 N 0.00 -0.15 0.00 1.37 0.00 -1.26 -3.30 105.19 101.85 2wdk n GLY 10 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wdk n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wdk n SER 11 N -0.29 1.76 -4.75 1.61 7.64 -1.08 -5.00 113.62 113.51 2wdk n SER 11 Ca 0.00 -0.65 -0.40 0.00 1.01 0.00 0.00 58.87 58.82 2wdk n SER 11 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2wdk n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wdk s LYS 12 N -0.88 4.81 0.00 1.43 2.20 -1.26 -2.83 119.74 123.21 2wdk s LYS 12 Ca 0.00 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 2wdk s LYS 12 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2wdk s LYS 12 CO 0.00 0.44 0.00 0.72 -0.36 0.00 0.00 175.35 176.15 2wdk n HIS 13 N 1.77 0.00 -3.23 4.03 8.25 -1.26 -4.82 115.22 119.96 2wdk n HIS 13 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2wdk n HIS 13 Cb 0.47 -1.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.17 2wdk n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wdk n ASN 14 N -0.24 2.99 -4.74 0.41 5.15 -1.13 -5.10 115.26 112.60 2wdk n ASN 14 Ca 0.00 -3.32 -0.41 0.00 -0.60 0.00 0.00 54.58 50.24 2wdk n ASN 14 Cb 0.12 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 2wdk n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wdk n PRO 15 N 0.62 2.38 -3.26 1.20 -0.02 -1.26 -2.65 135.00 132.02 2wdk n PRO 15 Ca 0.28 0.84 -0.05 0.00 -2.02 0.00 0.00 63.50 62.55 2wdk n PRO 15 Cb 0.45 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 2wdk n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wdk s HIS 16 N -1.13 -1.27 0.47 6.00 3.76 -1.21 -4.50 115.29 117.41 2wdk s HIS 16 Ca 0.56 0.02 -0.12 0.00 -0.15 0.00 0.00 55.06 55.36 2wdk s HIS 16 Cb -0.50 0.07 -0.06 0.00 1.11 0.00 0.00 32.58 33.19 2wdk s HIS 16 CO 0.62 -1.10 0.87 0.71 -0.85 0.00 0.00 174.74 174.99 2wdk s TYR 17 N 1.86 3.50 -0.14 1.40 1.51 -1.06 -0.50 117.35 123.91 2wdk s TYR 17 Ca 0.15 1.17 0.00 0.00 -1.01 0.00 0.00 57.07 57.38 2wdk s TYR 17 Cb -0.08 -2.56 0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2wdk s TYR 17 CO -0.09 -0.27 -0.11 0.50 -1.11 0.00 0.00 175.55 174.46 2wdk s ARG 18 N -4.18 1.94 0.27 -0.62 3.52 -1.00 -1.32 118.95 117.55 2wdk s ARG 18 Ca 0.53 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 2wdk s ARG 18 Cb -0.10 -1.94 -0.11 0.00 -1.56 0.00 0.00 34.95 31.24 2wdk s ARG 18 CO 0.36 -0.28 1.58 0.42 -0.81 0.00 0.00 175.30 176.57 2wdk s ILE 19 N 1.57 2.19 0.04 4.11 -1.09 0.14 -2.32 121.20 125.83 2wdk s ILE 19 Ca 0.04 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.52 2wdk s ILE 19 Cb -0.13 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2wdk s ILE 19 CO -0.09 0.02 0.19 0.54 -1.23 0.00 0.00 174.94 174.37 2wdk s VAL 20 N 0.16 0.11 -0.54 2.92 0.11 -0.28 -2.21 120.40 120.66 2wdk s VAL 20 Ca 0.64 -0.91 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2wdk s VAL 20 Cb -0.47 -0.91 0.13 0.00 -1.53 0.00 0.00 36.38 33.61 2wdk s VAL 20 CO 0.45 -0.50 0.29 0.54 -3.33 0.00 0.00 175.10 172.54 2wdk s VAL 21 N -2.58 2.64 0.16 2.04 0.11 -0.07 -0.31 120.40 122.39 2wdk s VAL 21 Ca -0.05 -3.43 0.00 0.00 -2.93 0.00 0.00 61.98 55.57 2wdk s VAL 21 Cb -0.01 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2wdk s VAL 21 CO -0.04 -0.82 0.00 1.07 -3.33 0.00 0.00 175.10 171.98 2wdk n THR 22 N 2.98 0.00 -3.36 5.04 5.66 -1.01 -1.75 114.28 121.85 2wdk n THR 22 Ca 0.07 -0.74 -0.38 0.00 -3.05 0.00 0.00 64.05 59.94 2wdk n THR 22 Cb 0.32 0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 2wdk n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2wdk s ASP 23 N -1.87 6.52 0.29 1.09 -1.08 -1.26 0.26 116.67 120.63 2wdk s ASP 23 Ca 0.00 0.62 0.16 0.00 -0.52 0.00 0.00 52.55 52.81 2wdk s ASP 23 Cb -0.00 -2.25 1.04 0.00 -1.46 0.00 0.00 42.92 40.25 2wdk s ASP 23 CO 0.00 -0.06 1.25 0.00 0.52 0.00 0.00 175.17 176.88 2wdk n ALA 24 N 4.26 0.79 -0.25 3.66 0.00 -0.59 -0.71 120.51 127.68 2wdk n ALA 24 Ca -0.08 0.81 -0.08 0.00 0.00 0.00 0.00 53.44 54.10 2wdk n ALA 24 Cb 0.51 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.21 2wdk n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdk h ARG 25 N 0.00 1.12 -6.82 0.00 3.08 -1.93 -3.45 114.38 106.37 2wdk h ARG 25 Ca 0.66 -0.28 -0.50 0.00 0.07 0.00 0.00 59.98 59.93 2wdk h ARG 25 Cb 1.74 -0.14 0.22 0.00 0.08 0.00 0.00 29.97 31.87 2wdk h ARG 25 CO -0.62 1.01 -0.63 0.54 -1.07 0.00 0.00 179.97 179.20 2wdk n ARG 26 N -4.23 -0.98 -1.67 0.04 1.74 0.11 -4.96 116.66 106.71 2wdk n ARG 26 Ca 0.05 -0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 56.57 2wdk n ARG 26 Cb 0.28 -1.88 0.05 0.00 -1.02 0.00 0.00 32.46 29.88 2wdk n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2wdk s LYS 27 N -3.73 2.97 0.07 5.56 0.00 -1.26 -4.91 119.74 118.44 2wdk s LYS 27 Ca 0.59 0.81 -0.17 0.00 0.00 0.00 0.00 55.97 57.19 2wdk s LYS 27 Cb -0.18 -2.01 -0.05 0.00 0.00 0.00 0.00 37.83 35.59 2wdk s LYS 27 CO 0.66 -1.03 1.29 -0.09 0.00 0.00 0.00 175.35 176.17 2wdk h ARG 28 N -0.67 -0.14 -1.81 1.78 2.43 -1.95 0.61 114.38 114.64 2wdk h ARG 28 Ca -0.44 0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.40 2wdk h ARG 28 Cb 1.22 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.67 2wdk h ARG 28 CO 0.59 -0.09 0.25 -0.25 -1.51 0.00 0.00 179.97 178.96 2wdk n ASP 29 N -4.14 6.19 -2.76 -3.80 10.43 -1.26 -4.70 116.55 116.51 2wdk n ASP 29 Ca -0.01 -2.97 0.00 0.00 2.57 0.00 0.00 54.79 54.38 2wdk n ASP 29 Cb 0.17 -1.18 0.00 0.00 1.84 0.00 0.00 41.12 41.94 2wdk n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wdk n GLY 30 N 0.96 -0.10 3.34 0.44 0.00 0.20 -4.97 105.19 105.06 2wdk n GLY 30 Ca 0.36 -1.62 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 2wdk n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdk s LYS 31 N 0.26 4.02 0.41 1.61 2.20 -1.26 -5.01 119.74 121.97 2wdk s LYS 31 Ca 0.00 -2.96 -0.26 0.00 -0.36 0.00 0.00 55.97 52.39 2wdk s LYS 31 Cb 0.00 -4.54 -0.10 0.00 -1.51 0.00 0.00 37.83 31.68 2wdk s LYS 31 CO 0.00 -1.28 1.29 2.48 -0.36 0.00 0.00 175.35 177.48 2wdk n TYR 32 N 3.23 2.21 0.22 4.03 -0.00 -1.26 -4.89 117.16 120.69 2wdk n TYR 32 Ca 0.21 0.50 0.06 0.00 -0.00 0.00 0.00 57.90 58.67 2wdk n TYR 32 Cb 0.42 -2.39 0.54 0.00 -0.00 0.00 0.00 39.34 37.91 2wdk n TYR 32 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 2wdk h ILE 33 N 2.17 1.08 -1.45 -3.48 1.08 -1.68 -3.46 117.51 111.77 2wdk h ILE 33 Ca -0.48 -0.37 0.22 0.00 -0.39 0.00 0.00 64.86 63.84 2wdk h ILE 33 Cb 1.29 1.15 -0.21 0.00 -3.07 0.00 0.00 36.82 35.98 2wdk h ILE 33 CO 0.60 0.11 0.79 -0.70 -0.69 0.00 0.00 178.15 178.26 2wdk s GLU 34 N -4.86 0.32 -0.06 2.37 2.12 -1.05 -5.02 118.70 112.52 2wdk s GLU 34 Ca -0.05 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 2wdk s GLU 34 Cb 0.16 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2wdk s GLU 34 CO 0.69 -0.13 0.04 0.21 -0.54 0.00 0.00 175.26 175.53 2wdk s LYS 35 N -2.00 3.06 0.00 4.30 2.20 -1.26 -0.89 119.74 125.14 2wdk s LYS 35 Ca 0.08 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2wdk s LYS 35 Cb -0.01 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2wdk s LYS 35 CO -0.05 0.70 0.58 0.44 -0.36 0.00 0.00 175.35 176.66 2wdk n ILE 36 N 1.82 0.33 -3.16 5.43 -5.35 -0.94 -4.95 119.36 112.53 2wdk n ILE 36 Ca -0.17 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 2wdk n ILE 36 Cb 0.54 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 2wdk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdk n GLY 37 N -0.16 -1.32 2.49 3.28 0.00 -1.23 -1.05 105.19 107.19 2wdk n GLY 37 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 2wdk n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdk n TYR 38 N 7.77 -0.56 -3.23 1.61 0.18 -1.01 0.26 117.16 122.19 2wdk n TYR 38 Ca 0.00 -2.16 0.04 0.00 1.88 0.00 0.00 57.90 57.66 2wdk n TYR 38 Cb 0.00 0.21 -0.02 0.00 -0.38 0.00 0.00 39.34 39.14 2wdk n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2wdk s TYR 39 N -3.02 -0.64 -0.44 -3.48 5.04 -0.44 -4.15 117.35 110.22 2wdk s TYR 39 Ca 0.30 0.82 -0.19 0.00 -2.44 0.00 0.00 57.07 55.56 2wdk s TYR 39 Cb 0.01 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.63 2wdk s TYR 39 CO 0.21 -0.34 0.53 0.34 -1.34 0.00 0.00 175.55 174.96 2wdk s ASP 40 N 2.73 6.25 0.00 4.32 3.68 -0.85 -2.56 116.67 130.23 2wdk s ASP 40 Ca 0.00 -0.58 0.06 0.00 2.13 0.00 0.00 52.55 54.16 2wdk s ASP 40 Cb -0.09 -2.27 0.32 0.00 -1.45 0.00 0.00 42.92 39.43 2wdk s ASP 40 CO -0.14 -0.69 1.01 -0.81 0.13 0.00 0.00 175.17 174.66 2wdk n PRO 41 N 5.91 0.10 -0.00 4.34 -0.04 -1.26 -2.17 135.00 141.88 2wdk n PRO 41 Ca -0.05 0.19 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2wdk n PRO 41 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2wdk n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdk n ARG 42 N -1.24 6.26 -1.62 0.54 1.74 -1.26 -5.03 116.66 116.05 2wdk n ARG 42 Ca 0.03 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.93 2wdk n ARG 42 Cb 0.04 -0.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2wdk n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdk n LYS 43 N -1.05 -1.26 0.15 5.56 4.01 -0.92 -4.86 118.16 119.78 2wdk n LYS 43 Ca 0.00 1.09 0.18 0.00 -0.51 0.00 0.00 58.31 59.08 2wdk n LYS 43 Cb 0.03 -5.38 0.66 0.00 -0.51 0.00 0.00 35.03 29.83 2wdk n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2wdk h THR 44 N 0.00 0.17 -2.91 -0.18 1.35 -1.96 -3.36 112.91 106.02 2wdk h THR 44 Ca -0.37 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.83 2wdk h THR 44 Cb 1.18 0.51 -0.10 0.00 -1.73 0.00 0.00 68.15 68.01 2wdk h THR 44 CO 0.53 0.00 -0.52 0.28 -0.25 0.00 0.00 175.52 175.56 2wdk s THR 45 N -4.37 5.21 0.38 6.82 -1.32 -1.26 -4.98 115.64 116.12 2wdk s THR 45 Ca -0.03 0.10 0.36 0.00 -1.21 0.00 0.00 61.69 60.91 2wdk s THR 45 Cb 0.12 -3.28 0.39 0.00 -1.51 0.00 0.00 72.50 68.21 2wdk s THR 45 CO 0.40 0.58 2.14 1.55 -2.21 0.00 0.00 174.62 177.08 2wdk h PRO 46 N 5.39 0.00 -2.69 7.08 0.13 -2.02 -3.21 132.00 136.68 2wdk h PRO 46 Ca -0.51 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.97 2wdk h PRO 46 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 2wdk h PRO 46 CO 0.61 0.03 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.85 2wdk n ASP 47 N -3.23 4.05 -1.78 1.44 8.00 -1.26 -4.91 116.55 118.86 2wdk n ASP 47 Ca -0.01 -3.34 -0.06 0.00 0.71 0.00 0.00 54.79 52.09 2wdk n ASP 47 Cb 0.21 -0.84 0.24 0.00 -0.02 0.00 0.00 41.12 40.71 2wdk n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wdk n TRP 48 N 1.41 2.03 -2.68 1.24 4.27 -1.22 -4.62 117.44 117.87 2wdk n TRP 48 Ca 0.26 -1.05 -0.06 0.00 -3.89 0.00 0.00 57.50 52.76 2wdk n TRP 48 Cb 0.38 -0.61 0.08 0.00 -1.36 0.00 0.00 31.31 29.80 2wdk n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2wdk n LEU 49 N -0.13 -1.65 -4.77 5.67 7.94 -1.26 -2.01 117.00 120.80 2wdk n LEU 49 Ca 0.34 -2.96 -0.37 0.00 -1.11 0.00 0.00 56.01 51.91 2wdk n LEU 49 Cb 1.21 0.26 0.00 0.00 0.53 0.00 0.00 43.42 45.43 2wdk n LEU 49 CO 0.37 1.67 0.87 -0.75 -1.11 0.00 0.00 177.39 178.43 2wdk s LYS 50 N 0.15 3.62 -0.45 1.96 2.36 -1.26 -4.88 119.74 121.24 2wdk s LYS 50 Ca 0.16 1.89 0.06 0.00 -2.55 0.00 0.00 55.97 55.53 2wdk s LYS 50 Cb 0.30 -2.38 0.22 0.00 -1.05 0.00 0.00 37.83 34.92 2wdk s LYS 50 CO -0.07 -0.69 0.64 0.28 1.55 0.00 0.00 175.35 177.05 2wdk n VAL 51 N -0.60 -0.45 -0.67 4.02 0.31 -1.26 -2.39 118.33 117.29 2wdk n VAL 51 Ca 0.08 -2.49 -0.13 0.00 -0.01 0.00 0.00 64.34 61.79 2wdk n VAL 51 Cb 0.47 -0.23 -0.09 0.00 -0.91 0.00 0.00 33.84 33.08 2wdk n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdk n ASP 52 N 2.11 -0.38 -0.00 4.52 4.64 -0.22 -4.71 116.55 122.51 2wdk n ASP 52 Ca 0.19 -0.13 -0.12 0.00 -1.38 0.00 0.00 54.79 53.35 2wdk n ASP 52 Cb 0.56 -0.30 -0.06 0.00 -1.04 0.00 0.00 41.12 40.27 2wdk n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2wdk h VAL 53 N 3.29 1.10 -0.26 5.18 -1.51 -1.94 -2.87 116.25 119.25 2wdk h VAL 53 Ca 0.00 -0.30 0.06 0.00 -1.23 0.00 0.00 66.70 65.23 2wdk h VAL 53 Cb 0.53 1.16 -0.08 0.00 -2.13 0.00 0.00 31.29 30.77 2wdk h VAL 53 CO 0.69 0.09 -0.39 -0.33 -1.23 0.00 0.00 177.57 176.40 2wdk h GLU 54 N 0.02 -0.37 0.05 5.19 4.39 -1.97 -2.23 114.58 119.66 2wdk h GLU 54 Ca 0.03 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2wdk h GLU 54 Cb 0.11 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2wdk h GLU 54 CO -0.00 -0.25 -0.30 0.00 -1.16 0.00 0.00 179.01 177.30 2wdk h ARG 55 N -0.38 -0.46 -1.01 2.33 2.47 -1.93 -2.55 114.38 112.84 2wdk h ARG 55 Ca 0.11 0.03 0.25 0.00 -1.26 0.00 0.00 59.98 59.12 2wdk h ARG 55 Cb 0.59 0.10 -0.12 0.00 -1.65 0.00 0.00 29.97 28.89 2wdk h ARG 55 CO -0.47 -0.31 0.61 0.00 0.56 0.00 0.00 179.97 180.36 2wdk h ALA 56 N 0.25 1.86 -0.54 0.04 0.00 -1.22 0.14 119.26 119.78 2wdk h ALA 56 Ca 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wdk h ALA 56 Cb 0.54 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2wdk h ALA 56 CO -0.22 -0.34 0.33 0.00 0.00 0.00 0.00 179.25 179.02 2wdk h ARG 57 N 0.54 0.72 0.50 0.00 3.08 -0.97 -3.00 114.38 115.26 2wdk h ARG 57 Ca 0.65 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.62 2wdk h ARG 57 Cb 1.30 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2wdk h ARG 57 CO -0.46 0.50 -0.29 -0.92 -1.07 0.00 0.00 179.97 177.74 2wdk h TYR 58 N 0.74 -0.76 0.00 3.04 5.03 -0.71 -2.61 116.97 121.70 2wdk h TYR 58 Ca 0.20 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.50 2wdk h TYR 58 Cb -0.04 0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2wdk h TYR 58 CO 0.00 -0.44 0.32 0.91 -1.32 0.00 0.00 178.16 177.64 2wdk n TRP 59 N -4.13 0.20 -0.03 -3.82 7.02 -1.14 0.89 117.44 116.43 2wdk n TRP 59 Ca -0.09 0.11 0.01 0.00 -1.02 0.00 0.00 57.50 56.50 2wdk n TRP 59 Cb 0.30 -0.41 -0.14 0.00 -2.42 0.00 0.00 31.31 28.64 2wdk n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2wdk n LEU 60 N -1.66 0.22 0.02 -0.99 4.77 -1.07 -2.62 117.00 115.68 2wdk n LEU 60 Ca -0.00 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 2wdk n LEU 60 Cb 0.33 0.20 0.19 0.00 -2.33 0.00 0.00 43.42 41.81 2wdk n LEU 60 CO 0.03 0.21 0.71 0.77 -1.33 0.00 0.00 177.39 177.78 2wdk h SER 61 N 0.00 0.47 1.01 -1.43 4.64 0.87 -2.61 113.55 116.50 2wdk h SER 61 Ca -0.24 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2wdk h SER 61 Cb 1.59 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2wdk h SER 61 CO 0.02 0.74 -0.86 -0.37 -0.87 0.00 0.00 176.83 175.49 2wdk h VAL 62 N 0.40 0.00 0.00 0.95 -1.51 -1.65 -3.50 116.25 110.95 2wdk h VAL 62 Ca 0.06 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2wdk h VAL 62 Cb 0.71 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2wdk h VAL 62 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 2wdk n GLY 63 N 1.22 0.87 3.08 5.19 0.00 -0.99 -5.11 105.19 109.45 2wdk n GLY 63 Ca 0.01 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.03 2wdk n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk s ALA 64 N 0.00 -2.93 0.16 4.61 0.00 -1.08 -4.72 121.76 117.80 2wdk s ALA 64 Ca 0.00 0.49 -0.34 0.00 0.00 0.00 0.00 51.96 52.11 2wdk s ALA 64 Cb 0.00 -2.81 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 2wdk s ALA 64 CO 0.00 -2.29 1.61 1.04 0.00 0.00 0.00 175.76 176.12 2wdk n GLN 65 N 4.20 2.25 -3.90 0.00 1.13 -1.23 -4.42 117.38 115.42 2wdk n GLN 65 Ca 0.10 0.81 -0.27 0.00 -1.94 0.00 0.00 57.00 55.70 2wdk n GLN 65 Cb 0.59 -2.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.31 2wdk n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2wdk s PRO 66 N 1.10 3.46 0.89 -1.09 0.04 -1.26 -2.81 135.00 135.33 2wdk s PRO 66 Ca 0.79 -0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 2wdk s PRO 66 Cb -0.65 -2.96 0.10 0.00 0.04 0.00 0.00 34.50 31.02 2wdk s PRO 66 CO 0.38 0.52 0.95 2.41 0.04 0.00 0.00 177.00 181.30 2wdk n THR 67 N -0.37 0.58 -0.09 1.26 -1.04 -0.56 -4.63 114.28 109.42 2wdk n THR 67 Ca -0.06 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 61.86 2wdk n THR 67 Cb 0.53 -0.94 0.34 0.00 -1.82 0.00 0.00 70.33 68.44 2wdk n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wdk h ASP 68 N -1.50 0.64 0.37 8.00 3.32 -1.98 0.14 116.42 125.42 2wdk h ASP 68 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wdk h ASP 68 Cb 1.28 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2wdk h ASP 68 CO 0.41 0.47 -0.29 1.07 -1.72 0.00 0.00 179.24 179.18 2wdk n THR 69 N -4.45 0.00 0.00 0.35 5.66 -1.26 -3.57 114.28 111.01 2wdk n THR 69 Ca 0.05 -0.07 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 2wdk n THR 69 Cb 0.05 0.22 -0.14 0.00 -1.55 0.00 0.00 70.33 68.91 2wdk n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wdk h ALA 70 N 3.44 0.52 0.00 1.79 0.00 -1.14 -3.34 119.26 120.54 2wdk h ALA 70 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 54.91 53.50 2wdk h ALA 70 Cb 0.48 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wdk h ALA 70 CO 0.00 1.38 -0.07 0.07 0.00 0.00 0.00 179.25 180.63 2wdk h ARG 71 N 0.05 0.00 0.74 0.00 0.11 -1.02 -2.94 114.38 111.33 2wdk h ARG 71 Ca -0.37 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.67 2wdk h ARG 71 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 2wdk h ARG 71 CO 0.09 0.07 -0.42 -0.09 0.10 0.00 0.00 179.97 179.73 2wdk h ARG 72 N 0.00 -1.04 0.00 0.08 2.43 -1.68 0.71 114.38 114.89 2wdk h ARG 72 Ca -0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wdk h ARG 72 Cb 0.76 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2wdk h ARG 72 CO 0.01 -0.69 0.00 1.28 -1.51 0.00 0.00 179.97 179.06 2wdk n LEU 73 N -5.57 0.00 -0.08 3.80 4.77 -1.19 -1.22 117.00 117.52 2wdk n LEU 73 Ca -0.14 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 2wdk n LEU 73 Cb 0.45 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 2wdk n LEU 73 CO 0.36 -0.13 -1.12 0.18 -1.33 0.00 0.00 177.39 175.35 2wdk n LEU 74 N -1.28 2.44 -0.05 2.23 4.77 -0.91 -3.27 117.00 120.94 2wdk n LEU 74 Ca 0.08 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2wdk n LEU 74 Cb 0.12 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 2wdk n LEU 74 CO 0.12 0.84 0.53 -0.09 -1.33 0.00 0.00 177.39 177.45 2wdk h ARG 75 N 0.02 0.41 0.00 3.23 2.43 -0.69 -2.17 114.38 117.62 2wdk h ARG 75 Ca -0.51 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 2wdk h ARG 75 Cb 1.98 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2wdk h ARG 75 CO -0.01 0.85 0.00 0.94 -1.51 0.00 0.00 179.97 180.24 2wdk n GLN 76 N -4.45 0.45 0.00 0.20 7.27 -0.35 0.89 117.38 121.39 2wdk n GLN 76 Ca -0.07 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.05 2wdk n GLN 76 Cb 0.44 -1.39 -0.02 0.00 2.41 0.00 0.00 30.24 31.68 2wdk n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdk n ALA 77 N -0.89 2.87 -2.17 1.69 0.00 -0.89 -5.00 120.51 116.12 2wdk n ALA 77 Ca 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 2wdk n ALA 77 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2wdk n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 78 N 0.96 -2.21 0.00 0.00 0.00 0.26 -4.98 105.19 99.22 2wdk n GLY 78 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2wdk n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdk n VAL 79 N -0.04 0.00 1.12 1.61 0.31 -1.17 -4.80 118.33 115.36 2wdk n VAL 79 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.49 2wdk n VAL 79 Cb 0.13 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.36 2wdk n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wdk n PHE 80 N -0.31 0.00 -2.95 3.52 3.01 -1.26 -4.88 117.46 114.59 2wdk n PHE 80 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 2wdk n PHE 80 Cb 0.00 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.23 2wdk n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2wdk s ARG 81 N -2.75 4.33 0.00 -1.08 3.52 -1.26 -4.98 118.95 116.74 2wdk s ARG 81 Ca 0.18 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 2wdk s ARG 81 Cb 0.18 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2wdk s ARG 81 CO 0.61 0.26 0.04 0.00 -0.81 0.00 0.00 175.30 175.40 2wdk n GLN 82 N 0.32 3.32 0.00 5.12 0.00 -1.26 -5.03 117.38 119.85 2wdk n GLN 82 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 57.00 56.97 2wdk n GLN 82 Cb 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 30.24 30.40 2wdk n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wdk n GLU 83 N -0.49 0.00 0.00 2.61 -0.58 -1.26 -5.27 120.64 115.66 2wdk n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdk n GLU 83 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 2wdk n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65