#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LYS 3 N 0.00 -3.60 -1.03 0.54 4.81 -1.26 -4.92 118.16 112.71 2wrl n LYS 3 Ca 0.00 2.84 -0.34 0.00 -0.87 0.00 0.00 58.31 59.94 2wrl n LYS 3 Cb 0.00 -4.78 0.12 0.00 0.02 0.00 0.00 35.03 30.39 2wrl n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wrl n MET 4 N 1.19 0.04 -4.31 1.64 2.81 -1.26 -5.02 117.12 112.21 2wrl n MET 4 Ca -0.15 0.08 -0.33 0.00 -1.81 0.00 0.00 57.70 55.49 2wrl n MET 4 Cb 0.27 -2.21 -0.09 0.00 -0.71 0.00 0.00 33.22 30.49 2wrl n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrl s LYS 5 N -3.82 2.75 0.55 0.03 1.02 -1.26 -4.89 119.74 114.13 2wrl s LYS 5 Ca 0.68 -0.62 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 2wrl s LYS 5 Cb -0.28 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 2wrl s LYS 5 CO 0.56 0.62 1.00 0.95 -0.92 0.00 0.00 175.35 177.56 2wrl s THR 6 N -1.07 4.61 -0.60 2.17 -4.23 -1.26 -4.98 115.64 110.28 2wrl s THR 6 Ca 0.19 1.07 -0.26 0.00 -1.18 0.00 0.00 61.69 61.52 2wrl s THR 6 Cb -0.11 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.99 2wrl s THR 6 CO 0.10 -0.86 1.07 -2.28 -0.54 0.00 0.00 174.62 172.10 2wrl s HIS 7 N -2.83 2.65 0.09 3.99 2.46 -0.14 -4.91 115.29 116.59 2wrl s HIS 7 Ca 0.57 0.04 -0.27 0.00 0.47 0.00 0.00 55.06 55.87 2wrl s HIS 7 Cb -0.10 -4.31 -0.15 0.00 -0.13 0.00 0.00 32.58 27.88 2wrl s HIS 7 CO 0.40 -1.57 1.69 0.87 -2.47 0.00 0.00 174.74 173.66 2wrl h LYS 8 N 9.52 -0.36 -0.95 2.88 1.79 -1.94 0.98 116.57 128.49 2wrl h LYS 8 Ca -0.26 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.43 2wrl h LYS 8 Cb 1.06 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.68 2wrl h LYS 8 CO 1.16 -0.24 0.53 0.78 -1.08 0.00 0.00 179.45 180.60 2wrl h GLY 9 N -0.37 1.69 0.52 3.86 0.00 -1.98 0.26 103.07 107.05 2wrl h GLY 9 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2wrl h GLY 9 CO 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 176.54 176.31 2wrl h ALA 10 N 1.66 -0.35 -0.90 3.60 0.00 -1.77 -3.19 119.26 118.31 2wrl h ALA 10 Ca 0.57 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.53 2wrl h ALA 10 Cb 0.95 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 2wrl h ALA 10 CO -0.42 -0.46 0.28 -0.22 0.00 0.00 0.00 179.25 178.43 2wrl h LYS 11 N -0.83 0.21 0.00 0.00 3.64 0.21 -0.17 116.57 119.63 2wrl h LYS 11 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wrl h LYS 11 Cb 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wrl h LYS 11 CO 0.06 0.14 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 2wrl n LYS 12 N -5.21 0.46 -0.42 1.90 5.02 0.79 -3.85 118.16 116.84 2wrl n LYS 12 Ca 0.23 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2wrl n LYS 12 Cb 0.74 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2wrl n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrl n ARG 13 N -1.14 0.00 -3.65 1.97 1.85 -0.09 -5.07 116.66 110.52 2wrl n ARG 13 Ca 0.12 -0.85 -0.04 0.00 -1.00 0.00 0.00 57.85 56.08 2wrl n ARG 13 Cb 0.11 -0.46 -0.06 0.00 -1.05 0.00 0.00 32.46 31.00 2wrl n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wrl s VAL 14 N 0.00 -0.59 -0.08 8.89 0.11 -1.11 -4.66 120.40 122.97 2wrl s VAL 14 Ca 0.00 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2wrl s VAL 14 Cb 0.00 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2wrl s VAL 14 CO 0.00 0.01 0.11 -0.75 -3.33 0.00 0.00 175.10 171.15 2wrl s LYS 15 N 2.38 3.30 -0.16 1.54 2.20 -0.15 -4.77 119.74 124.09 2wrl s LYS 15 Ca -0.07 -0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2wrl s LYS 15 Cb -0.10 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2wrl s LYS 15 CO -0.18 0.73 0.03 -1.50 -0.36 0.00 0.00 175.35 174.07 2wrl s ILE 16 N -1.08 4.56 0.51 5.43 2.07 -1.26 0.61 121.20 132.05 2wrl s ILE 16 Ca 0.18 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2wrl s ILE 16 Cb -0.12 -3.02 0.11 0.00 0.13 0.00 0.00 42.46 39.56 2wrl s ILE 16 CO 0.08 0.50 0.70 0.35 -1.91 0.00 0.00 174.94 174.66 2wrl n THR 17 N 3.23 0.00 0.30 4.00 -2.24 0.03 -4.87 114.28 114.73 2wrl n THR 17 Ca -0.17 -0.88 -0.18 0.00 -2.27 0.00 0.00 64.05 60.55 2wrl n THR 17 Cb 0.53 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 2wrl n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrl h ALA 18 N -0.96 -1.02 0.00 6.98 0.00 -1.99 -2.28 119.26 119.98 2wrl h ALA 18 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wrl h ALA 18 Cb 0.77 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2wrl h ALA 18 CO 0.22 -1.10 0.03 0.77 0.00 0.00 0.00 179.25 179.16 2wrl h SER 19 N -0.95 0.00 0.00 0.00 0.02 -2.05 -3.44 113.55 107.13 2wrl h SER 19 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2wrl h SER 19 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2wrl h SER 19 CO -0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 2wrl n GLY 20 N -1.28 0.89 3.76 -3.77 0.00 -0.86 -5.07 105.19 98.85 2wrl n GLY 20 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2wrl n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 21 N -0.98 4.77 -0.02 1.61 1.02 -1.26 -4.80 119.74 120.08 2wrl s LYS 21 Ca 0.00 1.54 -0.19 0.00 0.02 0.00 0.00 55.97 57.34 2wrl s LYS 21 Cb 0.00 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2wrl s LYS 21 CO 0.00 0.41 0.54 0.08 -0.92 0.00 0.00 175.35 175.46 2wrl s VAL 22 N -1.23 4.96 0.03 3.17 1.01 -1.26 -0.79 120.40 126.29 2wrl s VAL 22 Ca 0.43 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.60 2wrl s VAL 22 Cb -0.26 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2wrl s VAL 22 CO 0.33 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.98 2wrl s VAL 23 N -0.26 1.58 0.15 2.92 1.01 0.20 -4.35 120.40 121.65 2wrl s VAL 23 Ca 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2wrl s VAL 23 Cb -0.17 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2wrl s VAL 23 CO 0.15 0.23 0.18 0.00 0.00 0.00 0.00 175.10 175.67 2wrl n ALA 24 N 2.01 -0.01 -1.38 5.51 0.00 -1.09 -0.97 120.51 124.58 2wrl n ALA 24 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2wrl n ALA 24 Cb 0.53 0.60 0.00 0.00 0.00 0.00 0.00 19.45 20.59 2wrl n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wrl n MET 25 N -0.26 3.50 -4.15 0.00 2.81 -1.26 0.13 117.12 117.88 2wrl n MET 25 Ca 0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.67 2wrl n MET 25 Cb 0.26 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.60 2wrl n MET 25 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wrl s LYS 26 N 1.70 1.15 0.69 0.03 -0.14 -1.23 -3.99 119.74 117.95 2wrl s LYS 26 Ca 0.00 -0.18 -0.15 0.00 -1.36 0.00 0.00 55.97 54.28 2wrl s LYS 26 Cb 0.00 -1.15 0.02 0.00 -1.68 0.00 0.00 37.83 35.02 2wrl s LYS 26 CO 0.00 -0.13 1.14 0.95 -0.76 0.00 0.00 175.35 176.55 2wrl s THR 27 N 1.18 2.95 -0.42 2.17 -4.23 -1.26 -4.57 115.64 111.46 2wrl s THR 27 Ca -0.06 0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2wrl s THR 27 Cb -0.14 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2wrl s THR 27 CO -0.02 -0.27 0.44 0.61 -0.54 0.00 0.00 174.62 174.84 2wrl n GLY 28 N -0.25 -0.99 0.00 3.99 0.00 -1.26 -4.97 105.19 101.71 2wrl n GLY 28 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2wrl n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrl n LYS 29 N -1.10 0.28 0.00 1.61 4.81 -1.26 -4.84 118.16 117.65 2wrl n LYS 29 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 2wrl n LYS 29 Cb 0.43 -0.02 0.25 0.00 0.02 0.00 0.00 35.03 35.71 2wrl n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wrl n ARG 30 N 0.00 0.34 0.00 1.64 5.12 -1.26 -4.25 116.66 118.25 2wrl n ARG 30 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wrl n ARG 30 Cb 0.00 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2wrl n ARG 30 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2wrl n HIS 31 N -0.88 0.00 -0.02 -1.55 1.44 -1.26 -5.01 115.22 107.94 2wrl n HIS 31 Ca 0.06 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.66 2wrl n HIS 31 Cb 0.03 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.09 2wrl n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wrl h LEU 32 N 0.00 -1.20 -3.74 2.39 -0.00 -1.89 -3.44 115.31 107.44 2wrl h LEU 32 Ca 0.00 0.17 -0.21 0.00 -0.00 0.00 0.00 57.88 57.84 2wrl h LEU 32 Cb 0.00 0.50 0.11 0.00 -0.00 0.00 0.00 40.66 41.27 2wrl h LEU 32 CO 0.00 -0.39 -1.01 0.59 -0.00 0.00 0.00 178.44 177.62 2wrl n ASN 33 N -5.42 -1.69 0.00 -0.43 5.03 -1.26 -4.71 115.26 106.78 2wrl n ASN 33 Ca -0.03 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wrl n ASN 33 Cb 0.35 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 2wrl n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2wrl n TRP 34 N -1.31 0.00 -2.67 3.10 -0.00 -1.26 -4.93 117.44 110.37 2wrl n TRP 34 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.46 2wrl n TRP 34 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.63 2wrl n TRP 34 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2wrl s GLN 35 N 0.00 0.19 -0.24 5.87 0.74 -1.26 -5.11 119.66 119.84 2wrl s GLN 35 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.19 2wrl s GLN 35 Cb 0.00 -0.01 0.08 0.00 1.10 0.00 0.00 33.01 34.18 2wrl s GLN 35 CO 0.00 -0.23 0.09 0.15 -0.55 0.00 0.00 175.29 174.74 2wrl s LYS 36 N 1.01 0.42 0.42 1.67 1.02 -1.26 -5.12 119.74 117.90 2wrl s LYS 36 Ca 0.23 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 2wrl s LYS 36 Cb 0.13 -1.76 -0.11 0.00 -0.52 0.00 0.00 37.83 35.57 2wrl s LYS 36 CO -0.11 -0.83 -0.16 -1.13 -0.92 0.00 0.00 175.35 172.21 2wrl n SER 37 N 5.11 -2.98 -0.29 2.83 3.41 -1.26 -4.40 113.62 116.04 2wrl n SER 37 Ca -0.06 0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 58.96 2wrl n SER 37 Cb 0.45 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 2wrl n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wrl h GLY 38 N -0.10 -0.09 -0.74 5.00 0.00 -2.00 0.57 103.07 105.73 2wrl h GLY 38 Ca -0.31 0.50 0.18 0.00 0.00 0.00 0.00 47.33 47.69 2wrl h GLY 38 CO 0.30 -0.19 -0.08 1.17 0.00 0.00 0.00 176.54 177.73 2wrl n LYS 39 N -5.44 -0.06 0.00 4.80 4.81 -1.26 0.76 118.16 121.76 2wrl n LYS 39 Ca 0.07 1.13 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 2wrl n LYS 39 Cb 0.37 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2wrl n LYS 39 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wrl n GLU 40 N -5.11 0.00 -0.37 1.64 -0.58 0.19 -0.64 120.64 115.78 2wrl n GLU 40 Ca 0.15 0.01 0.36 0.00 -0.42 0.00 0.00 57.16 57.26 2wrl n GLU 40 Cb 0.47 -0.77 0.73 0.00 -0.57 0.00 0.00 31.44 31.30 2wrl n GLU 40 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2wrl h ILE 41 N 0.00 0.36 0.41 -3.67 3.07 -1.46 0.65 117.51 116.87 2wrl h ILE 41 Ca 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 64.86 66.37 2wrl h ILE 41 Cb 0.00 0.30 0.00 0.00 -0.27 0.00 0.00 36.82 36.86 2wrl h ILE 41 CO 0.00 0.01 -0.20 -0.09 -1.05 0.00 0.00 178.15 176.82 2wrl h ARG 42 N 0.05 -0.53 -2.24 0.16 2.43 0.32 -3.23 114.38 111.34 2wrl h ARG 42 Ca 0.62 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 2wrl h ARG 42 Cb 2.36 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.03 2wrl h ARG 42 CO -0.06 -0.36 0.11 1.04 -1.51 0.00 0.00 179.97 179.19 2wrl n GLN 43 N -3.81 0.00 -3.76 0.20 6.02 0.22 -4.32 117.38 111.94 2wrl n GLN 43 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.64 2wrl n GLN 43 Cb 0.22 -1.40 -0.11 0.00 1.02 0.00 0.00 30.24 29.97 2wrl n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wrl n LYS 44 N 2.13 1.86 0.00 -1.09 4.01 -1.22 -4.99 118.16 118.85 2wrl n LYS 44 Ca 0.00 -4.43 0.00 0.00 -0.51 0.00 0.00 58.31 53.37 2wrl n LYS 44 Cb 0.00 -2.22 0.00 0.00 -0.51 0.00 0.00 35.03 32.30 2wrl n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wrl n GLY 45 N 1.76 0.88 3.64 0.72 0.00 -1.26 -4.83 105.19 106.12 2wrl n GLY 45 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2wrl n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 46 N 2.80 2.00 0.30 1.61 0.52 -1.26 -3.47 118.95 121.45 2wrl s ARG 46 Ca 0.00 -2.18 -0.14 0.00 -0.52 0.00 0.00 55.73 52.89 2wrl s ARG 46 Cb 0.00 -1.54 0.02 0.00 0.52 0.00 0.00 34.95 33.95 2wrl s ARG 46 CO 0.00 -0.15 0.60 -1.59 0.02 0.00 0.00 175.30 174.18 2wrl s LYS 47 N -3.77 1.81 0.00 3.54 -2.85 0.12 -4.91 119.74 113.68 2wrl s LYS 47 Ca 0.27 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2wrl s LYS 47 Cb 0.07 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 2wrl s LYS 47 CO 0.14 -0.80 0.00 1.19 0.10 0.00 0.00 175.35 175.98 2wrl n PHE 48 N -0.46 0.00 0.00 1.78 0.99 -1.26 -2.68 117.46 115.82 2wrl n PHE 48 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 2wrl n PHE 48 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.09 2wrl n PHE 48 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2wrl n VAL 49 N 0.00 0.00 -3.90 -4.37 0.24 -1.26 -4.57 118.33 104.46 2wrl n VAL 49 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2wrl n VAL 49 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 2wrl n VAL 49 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wrl s LEU 50 N 0.00 3.45 0.00 1.34 2.96 -1.26 -3.82 118.68 121.36 2wrl s LEU 50 Ca 0.00 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2wrl s LEU 50 Cb 0.00 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2wrl s LEU 50 CO 0.00 -0.36 0.00 0.00 -1.32 0.00 0.00 176.35 174.67 2wrl n ALA 51 N -1.30 0.00 0.13 5.97 0.00 -1.26 -4.15 120.51 119.90 2wrl n ALA 51 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 2wrl n ALA 51 Cb 0.60 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.18 2wrl n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrl h LYS 52 N 0.00 0.00 -0.29 0.00 6.56 -1.99 -3.06 116.57 117.78 2wrl h LYS 52 Ca 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.45 2wrl h LYS 52 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2wrl h LYS 52 CO 0.00 0.66 -0.38 -1.00 -2.06 0.00 0.00 179.45 176.67 2wrl h PRO 53 N 0.00 0.68 0.29 3.15 0.13 -1.72 0.30 132.00 134.83 2wrl h PRO 53 Ca -0.01 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2wrl h PRO 53 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2wrl h PRO 53 CO 0.09 0.95 -0.22 0.93 -0.23 0.00 0.00 178.00 179.52 2wrl h GLU 54 N 0.57 -0.49 -0.52 0.86 5.08 -1.87 0.28 114.58 118.49 2wrl h GLU 54 Ca 0.05 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 2wrl h GLU 54 Cb 0.90 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2wrl h GLU 54 CO 0.08 -0.32 0.44 0.00 -1.00 0.00 0.00 179.01 178.21 2wrl h ALA 55 N 0.16 2.36 0.05 3.43 0.00 -1.33 -3.00 119.26 120.93 2wrl h ALA 55 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wrl h ALA 55 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wrl h ALA 55 CO -0.00 -0.71 -0.02 1.49 0.00 0.00 0.00 179.25 180.00 2wrl h GLU 56 N 0.00 -0.06 0.00 0.00 4.57 0.16 -3.27 114.58 115.97 2wrl h GLU 56 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2wrl h GLU 56 Cb 1.12 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2wrl h GLU 56 CO -0.00 -0.04 0.52 0.54 -1.18 0.00 0.00 179.01 178.85 2wrl n ARG 57 N -2.35 0.05 -0.00 1.92 1.74 0.19 0.18 116.66 118.37 2wrl n ARG 57 Ca -0.01 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2wrl n ARG 57 Cb 0.03 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 2wrl n ARG 57 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wrl n ILE 58 N -1.82 0.01 -0.17 0.55 2.08 -1.19 -2.38 119.36 116.44 2wrl n ILE 58 Ca -0.00 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2wrl n ILE 58 Cb 0.53 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 2wrl n ILE 58 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wrl n LYS 59 N -0.26 1.57 -1.75 0.38 5.02 0.13 -4.71 118.16 118.54 2wrl n LYS 59 Ca 0.00 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 2wrl n LYS 59 Cb 0.12 -0.28 0.05 0.00 -0.02 0.00 0.00 35.03 34.90 2wrl n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrl n LEU 60 N -0.24 5.35 0.00 -0.35 4.77 -1.00 -0.97 117.00 124.57 2wrl n LEU 60 Ca 0.00 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 2wrl n LEU 60 Cb 0.04 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2wrl n LEU 60 CO 0.00 1.90 0.11 0.00 -1.33 0.00 0.00 177.39 178.07 2wrl n LEU 61 N -0.80 0.97 0.01 2.23 -0.00 -1.22 -0.20 117.00 118.00 2wrl n LEU 61 Ca 0.46 0.23 0.22 0.00 -0.00 0.00 0.00 56.01 56.92 2wrl n LEU 61 Cb 0.90 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.90 2wrl n LEU 61 CO 0.45 0.00 1.20 -0.07 -0.00 0.00 0.00 177.39 178.97 2wrl h LEU 62 N 0.00 0.00 0.00 1.47 3.38 -1.90 1.11 115.31 119.37 2wrl h LEU 62 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wrl h LEU 62 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wrl h LEU 62 CO 0.00 0.00 -1.52 -0.81 0.09 0.00 0.00 178.44 176.20 2wrl n PRO 63 N -3.36 0.60 -1.34 1.13 -0.04 -1.25 -5.07 135.00 125.68 2wrl n PRO 63 Ca 0.12 -0.06 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 2wrl n PRO 63 Cb 1.00 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 2wrl n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wrl n TYR 64 N -2.39 -3.53 0.00 0.54 4.02 0.38 -5.12 117.16 111.06 2wrl n TYR 64 Ca -0.02 1.67 0.00 0.00 -0.01 0.00 0.00 57.90 59.54 2wrl n TYR 64 Cb 0.55 -3.07 0.00 0.00 -0.02 0.00 0.00 39.34 36.80 2wrl n TYR 64 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24