#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n LYS 3 N 0.00 0.00 -1.73 0.54 4.81 -1.26 -4.76 118.16 115.76 2wdi n LYS 3 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 2wdi n LYS 3 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 2wdi n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wdi n MET 4 N 0.57 1.59 -3.58 1.64 2.81 -1.26 -5.00 117.12 113.89 2wdi n MET 4 Ca 0.00 0.59 -0.38 0.00 -1.81 0.00 0.00 57.70 56.10 2wdi n MET 4 Cb 0.00 -2.53 -0.06 0.00 -0.71 0.00 0.00 33.22 29.92 2wdi n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wdi s LYS 5 N -2.89 3.86 -0.06 0.03 1.02 -1.26 -4.82 119.74 115.61 2wdi s LYS 5 Ca 0.73 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.68 2wdi s LYS 5 Cb -0.42 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2wdi s LYS 5 CO 0.49 0.65 1.24 0.95 -0.92 0.00 0.00 175.35 177.76 2wdi s THR 6 N -0.86 4.17 -0.65 2.17 -4.23 -1.26 -4.89 115.64 110.08 2wdi s THR 6 Ca 0.21 1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 61.96 2wdi s THR 6 Cb -0.15 -3.96 -0.10 0.00 1.34 0.00 0.00 72.50 69.63 2wdi s THR 6 CO 0.10 -0.02 2.38 -2.28 -0.54 0.00 0.00 174.62 174.26 2wdi s HIS 7 N 2.42 1.14 0.56 3.99 2.46 -1.06 -4.78 115.29 120.03 2wdi s HIS 7 Ca 0.57 1.73 0.25 0.00 0.47 0.00 0.00 55.06 58.08 2wdi s HIS 7 Cb -0.25 -3.54 1.62 0.00 -0.13 0.00 0.00 32.58 30.28 2wdi s HIS 7 CO 0.22 -2.03 2.22 0.87 -2.47 0.00 0.00 174.74 173.54 2wdi h LYS 8 N 15.91 0.00 -0.10 2.88 6.56 -1.91 -1.88 116.57 138.02 2wdi h LYS 8 Ca -0.11 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.39 2wdi h LYS 8 Cb 1.13 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 2wdi h LYS 8 CO 1.09 0.00 -0.34 0.78 -2.06 0.00 0.00 179.45 178.93 2wdi h GLY 9 N 0.02 0.22 0.08 3.86 0.00 -2.00 -2.74 103.07 102.50 2wdi h GLY 9 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2wdi h GLY 9 CO 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 176.54 176.68 2wdi h ALA 10 N 1.48 -0.08 -0.99 3.60 0.00 -1.75 -3.32 119.26 118.20 2wdi h ALA 10 Ca 0.02 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 55.14 2wdi h ALA 10 Cb 0.69 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.34 2wdi h ALA 10 CO 0.05 -0.09 0.43 -0.22 0.00 0.00 0.00 179.25 179.43 2wdi h LYS 11 N -1.00 0.11 0.00 0.00 3.64 -1.53 0.77 116.57 118.56 2wdi h LYS 11 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wdi h LYS 11 Cb 0.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2wdi h LYS 11 CO 0.01 0.07 0.00 1.63 -2.27 0.00 0.00 179.45 178.90 2wdi n LYS 12 N -5.23 0.05 -1.20 1.90 5.02 -1.04 -3.69 118.16 113.97 2wdi n LYS 12 Ca 0.32 0.28 0.02 0.00 -2.02 0.00 0.00 58.31 56.91 2wdi n LYS 12 Cb 1.05 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.57 2wdi n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wdi n ARG 13 N -1.43 0.00 -3.63 1.97 1.85 0.26 -5.08 116.66 110.60 2wdi n ARG 13 Ca 0.03 -1.62 -0.04 0.00 -1.00 0.00 0.00 57.85 55.22 2wdi n ARG 13 Cb 0.11 -0.06 -0.06 0.00 -1.05 0.00 0.00 32.46 31.39 2wdi n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdi s VAL 14 N 0.00 -0.05 -0.02 8.89 0.11 -1.05 -4.62 120.40 123.65 2wdi s VAL 14 Ca 0.22 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2wdi s VAL 14 Cb 0.25 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2wdi s VAL 14 CO -0.11 0.00 0.01 -0.75 -3.33 0.00 0.00 175.10 170.92 2wdi s LYS 15 N 1.54 2.87 -0.11 1.54 2.20 -0.24 -4.66 119.74 122.88 2wdi s LYS 15 Ca -0.09 -0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 54.92 2wdi s LYS 15 Cb -0.04 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2wdi s LYS 15 CO -0.17 0.64 0.07 -1.50 -0.36 0.00 0.00 175.35 174.04 2wdi s ILE 16 N -1.06 4.91 0.00 5.43 2.07 -1.26 0.13 121.20 131.42 2wdi s ILE 16 Ca 0.19 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2wdi s ILE 16 Cb -0.12 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.36 2wdi s ILE 16 CO 0.09 0.60 0.00 0.35 -1.91 0.00 0.00 174.94 174.07 2wdi n THR 17 N 2.19 0.00 -0.06 4.00 -2.24 0.18 -4.94 114.28 113.41 2wdi n THR 17 Ca -0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 2wdi n THR 17 Cb 0.54 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 2wdi n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdi h ALA 18 N -0.42 0.37 0.00 6.98 0.00 -1.99 -2.91 119.26 121.29 2wdi h ALA 18 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2wdi h ALA 18 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wdi h ALA 18 CO 0.00 0.62 0.00 0.43 0.00 0.00 0.00 179.25 180.30 2wdi n SER 19 N -4.04 0.00 0.00 0.00 7.64 -1.26 -4.81 113.62 111.15 2wdi n SER 19 Ca -0.06 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2wdi n SER 19 Cb 0.65 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2wdi n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdi n GLY 20 N 0.35 0.68 3.85 0.23 0.00 -1.10 -5.06 105.19 104.15 2wdi n GLY 20 Ca 0.08 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2wdi n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 21 N -0.97 3.94 -0.19 1.61 1.02 -1.26 -4.78 119.74 119.11 2wdi s LYS 21 Ca 0.00 0.69 -0.06 0.00 0.02 0.00 0.00 55.97 56.62 2wdi s LYS 21 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 2wdi s LYS 21 CO 0.00 0.02 0.01 0.08 -0.92 0.00 0.00 175.35 174.54 2wdi s VAL 22 N -2.22 4.18 -0.09 3.17 1.01 -1.26 0.50 120.40 125.69 2wdi s VAL 22 Ca 0.55 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.33 2wdi s VAL 22 Cb -0.10 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2wdi s VAL 22 CO 0.23 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 174.85 2wdi s VAL 23 N 0.77 2.01 0.29 2.92 1.01 0.12 -3.74 120.40 123.79 2wdi s VAL 23 Ca 0.01 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2wdi s VAL 23 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2wdi s VAL 23 CO 0.02 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.82 2wdi s ALA 24 N 0.30 1.87 1.17 5.51 0.00 -1.07 -1.08 121.76 128.45 2wdi s ALA 24 Ca -0.17 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 49.84 2wdi s ALA 24 Cb -0.17 1.15 0.26 0.00 0.00 0.00 0.00 23.12 24.35 2wdi s ALA 24 CO 0.08 -0.50 1.02 -1.33 0.00 0.00 0.00 175.76 175.03 2wdi n MET 25 N -0.54 -2.53 -3.84 0.00 2.81 -1.26 -2.26 117.12 109.50 2wdi n MET 25 Ca 0.01 -1.62 -0.36 0.00 -1.81 0.00 0.00 57.70 53.92 2wdi n MET 25 Cb 0.65 -1.41 -0.12 0.00 -0.71 0.00 0.00 33.22 31.64 2wdi n MET 25 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wdi s LYS 26 N -5.30 3.78 0.40 0.03 -0.14 -1.19 -4.77 119.74 112.56 2wdi s LYS 26 Ca 0.64 -0.42 -0.24 0.00 -1.36 0.00 0.00 55.97 54.59 2wdi s LYS 26 Cb -0.05 -3.31 -0.09 0.00 -1.68 0.00 0.00 37.83 32.70 2wdi s LYS 26 CO 0.48 -0.04 1.07 0.95 -0.76 0.00 0.00 175.35 177.05 2wdi s THR 27 N 1.23 3.62 0.00 2.17 -4.23 -1.26 -4.45 115.64 112.72 2wdi s THR 27 Ca 0.05 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 2wdi s THR 27 Cb -0.14 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2wdi s THR 27 CO 0.04 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2wdi n GLY 28 N 0.41 0.27 0.99 3.99 0.00 -1.26 -5.05 105.19 104.54 2wdi n GLY 28 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2wdi n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdi n LYS 29 N 0.00 0.00 0.13 1.61 2.85 -1.26 -4.49 118.16 117.00 2wdi n LYS 29 Ca 0.00 -1.35 0.12 0.00 -1.05 0.00 0.00 58.31 56.03 2wdi n LYS 29 Cb 0.00 -0.13 0.22 0.00 -0.65 0.00 0.00 35.03 34.46 2wdi n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wdi h ARG 30 N 0.44 0.00 0.00 -1.58 2.47 -1.97 -3.42 114.38 110.32 2wdi h ARG 30 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2wdi h ARG 30 Cb 1.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 2wdi h ARG 30 CO 0.01 0.00 0.00 -2.39 0.56 0.00 0.00 179.97 178.15 2wdi n HIS 31 N -2.58 0.00 -0.24 3.04 1.44 -1.26 -4.93 115.22 110.68 2wdi n HIS 31 Ca 0.04 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.76 2wdi n HIS 31 Cb 0.48 0.03 0.14 0.00 0.12 0.00 0.00 29.99 30.76 2wdi n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wdi h LEU 32 N 0.00 0.43 -7.45 2.39 -0.00 -1.82 -3.43 115.31 105.44 2wdi h LEU 32 Ca 0.00 0.07 -0.50 0.00 -0.00 0.00 0.00 57.88 57.44 2wdi h LEU 32 Cb 0.26 -0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.05 2wdi h LEU 32 CO 0.00 0.24 -0.90 0.59 -0.00 0.00 0.00 178.44 178.37 2wdi n ASN 33 N -4.88 -2.81 0.00 -0.43 5.03 -1.26 -4.70 115.26 106.20 2wdi n ASN 33 Ca 0.11 0.59 0.00 0.00 0.87 0.00 0.00 54.58 56.15 2wdi n ASN 33 Cb 0.29 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.33 2wdi n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2wdi n TRP 34 N -1.11 0.00 -2.97 3.10 -0.00 -1.26 -5.03 117.44 110.17 2wdi n TRP 34 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.62 2wdi n TRP 34 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.68 2wdi n TRP 34 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2wdi s GLN 35 N 0.00 0.03 -0.00 5.87 0.74 -1.26 -5.15 119.66 119.89 2wdi s GLN 35 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.41 2wdi s GLN 35 Cb 0.00 0.01 -0.00 0.00 1.10 0.00 0.00 33.01 34.11 2wdi s GLN 35 CO 0.00 -0.05 0.02 0.15 -0.55 0.00 0.00 175.29 174.86 2wdi s LYS 36 N 2.62 0.16 0.80 1.67 1.02 -1.26 -5.14 119.74 119.61 2wdi s LYS 36 Ca 0.26 -0.21 -0.15 0.00 0.02 0.00 0.00 55.97 55.89 2wdi s LYS 36 Cb 0.02 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 2wdi s LYS 36 CO -0.20 -0.03 0.51 -1.13 -0.92 0.00 0.00 175.35 173.58 2wdi n SER 37 N 2.44 -1.40 -0.10 2.83 3.41 -1.26 -4.72 113.62 114.82 2wdi n SER 37 Ca -0.17 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.09 2wdi n SER 37 Cb 0.58 -1.22 0.52 0.00 -0.26 0.00 0.00 64.21 63.83 2wdi n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wdi h GLY 38 N -0.74 0.56 0.55 5.00 0.00 -2.00 0.25 103.07 106.68 2wdi h GLY 38 Ca -0.45 -0.15 0.13 0.00 0.00 0.00 0.00 47.33 46.86 2wdi h GLY 38 CO 0.40 0.07 0.59 1.70 0.00 0.00 0.00 176.54 179.30 2wdi h LYS 39 N 0.36 0.78 0.00 4.80 3.64 -1.98 0.65 116.57 124.82 2wdi h LYS 39 Ca 0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wdi h LYS 39 Cb 0.71 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2wdi h LYS 39 CO -0.08 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.00 2wdi n GLU 40 N -4.57 0.00 -0.28 1.90 -0.58 0.86 -1.51 120.64 116.45 2wdi n GLU 40 Ca 0.17 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.90 2wdi n GLU 40 Cb 0.41 -0.87 0.04 0.00 -0.57 0.00 0.00 31.44 30.45 2wdi n GLU 40 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wdi h ILE 41 N 0.00 0.11 -0.31 -3.67 2.04 -1.56 -0.28 117.51 113.85 2wdi h ILE 41 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2wdi h ILE 41 Cb 0.00 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.11 2wdi h ILE 41 CO 0.00 0.00 -0.25 -0.09 0.00 0.00 0.00 178.15 177.81 2wdi h ARG 42 N -0.07 -0.22 -2.51 2.37 2.43 -1.00 -2.85 114.38 112.53 2wdi h ARG 42 Ca 0.31 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.43 2wdi h ARG 42 Cb 0.58 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2wdi h ARG 42 CO -0.83 -0.14 0.12 1.04 -1.51 0.00 0.00 179.97 178.65 2wdi n GLN 43 N -5.39 0.75 -3.38 0.20 6.02 -0.12 -4.36 117.38 111.12 2wdi n GLN 43 Ca 0.00 -0.35 -0.26 0.00 -0.01 0.00 0.00 57.00 56.38 2wdi n GLN 43 Cb 0.30 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 2wdi n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wdi n LYS 44 N 2.66 1.50 0.00 -1.09 4.01 -1.08 -4.99 118.16 119.16 2wdi n LYS 44 Ca 0.15 -3.92 0.00 0.00 -0.51 0.00 0.00 58.31 54.03 2wdi n LYS 44 Cb 0.35 -1.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 2wdi n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdi n GLY 45 N 1.39 2.61 0.00 0.72 0.00 -1.26 -4.80 105.19 103.84 2wdi n GLY 45 Ca 0.25 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2wdi n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 46 N 0.00 3.52 0.00 1.61 1.74 -1.26 -3.14 116.66 119.13 2wdi n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdi n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wdi n ARG 46 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2wdi n LYS 47 N 0.00 0.00 -1.72 5.56 2.85 -0.96 -4.66 118.16 119.24 2wdi n LYS 47 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 2wdi n LYS 47 Cb 0.00 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.48 2wdi n LYS 47 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2wdi n PHE 48 N -0.89 -3.40 -3.59 5.58 0.99 -1.26 -2.61 117.46 112.28 2wdi n PHE 48 Ca 0.00 -1.06 -0.11 0.00 -0.00 0.00 0.00 57.45 56.28 2wdi n PHE 48 Cb 0.00 -0.57 -0.06 0.00 -1.00 0.00 0.00 39.48 37.86 2wdi n PHE 48 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2wdi s VAL 49 N -2.36 0.00 0.07 -4.37 -7.23 -1.24 -4.81 120.40 100.45 2wdi s VAL 49 Ca 0.47 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.67 2wdi s VAL 49 Cb -0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 2wdi s VAL 49 CO 0.32 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.81 2wdi s LEU 50 N -0.75 2.35 0.00 1.32 2.96 -1.26 -4.65 118.68 118.66 2wdi s LEU 50 Ca -0.01 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 2wdi s LEU 50 Cb -0.02 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.50 2wdi s LEU 50 CO 0.00 -0.28 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 2wdi n ALA 51 N 0.90 0.00 -0.20 5.97 0.00 -1.26 -4.26 120.51 121.67 2wdi n ALA 51 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2wdi n ALA 51 Cb 0.57 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.22 2wdi n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdi h LYS 52 N 0.00 0.96 0.00 0.00 6.56 -2.01 -2.67 116.57 119.42 2wdi h LYS 52 Ca 0.00 -0.12 -0.09 0.00 -1.06 0.00 0.00 60.65 59.38 2wdi h LYS 52 Cb 0.00 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.46 2wdi h LYS 52 CO 0.00 0.74 -0.42 -1.00 -2.06 0.00 0.00 179.45 176.71 2wdi h PRO 53 N 0.96 0.00 0.00 3.15 0.13 -1.83 -0.54 132.00 133.88 2wdi h PRO 53 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2wdi h PRO 53 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 2wdi h PRO 53 CO -0.03 0.42 -0.00 0.93 -0.23 0.00 0.00 178.00 179.08 2wdi h GLU 54 N 0.00 0.00 0.00 0.86 5.08 -1.80 0.30 114.58 119.02 2wdi h GLU 54 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2wdi h GLU 54 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2wdi h GLU 54 CO 0.05 0.00 -1.80 0.00 -1.00 0.00 0.00 179.01 176.26 2wdi n ALA 55 N -2.10 0.96 -0.33 3.43 0.00 -0.88 -3.68 120.51 117.91 2wdi n ALA 55 Ca -0.03 -0.74 0.15 0.00 0.00 0.00 0.00 53.44 52.82 2wdi n ALA 55 Cb 0.09 -0.29 0.30 0.00 0.00 0.00 0.00 19.45 19.54 2wdi n ALA 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wdi h GLU 56 N -0.95 0.04 -0.28 0.00 4.57 -0.15 0.60 114.58 118.41 2wdi h GLU 56 Ca -0.49 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 2wdi h GLU 56 Cb 1.46 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 2wdi h GLU 56 CO -0.28 0.03 0.10 0.00 -1.18 0.00 0.00 179.01 177.67 2wdi h ARG 57 N 0.04 0.43 0.00 1.92 3.08 -1.15 -1.96 114.38 116.74 2wdi h ARG 57 Ca 0.59 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2wdi h ARG 57 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2wdi h ARG 57 CO -0.86 0.47 0.42 0.82 -1.07 0.00 0.00 179.97 179.75 2wdi h ILE 58 N 0.30 0.00 0.00 2.04 1.08 0.13 0.91 117.51 121.97 2wdi h ILE 58 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2wdi h ILE 58 Cb 0.21 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2wdi h ILE 58 CO -0.01 0.00 -1.53 0.29 -0.69 0.00 0.00 178.15 176.21 2wdi n LYS 59 N -2.22 0.63 -2.87 2.37 5.02 -0.74 -4.19 118.16 116.16 2wdi n LYS 59 Ca -0.01 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 2wdi n LYS 59 Cb 0.44 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2wdi n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wdi n LEU 60 N -2.44 6.40 0.00 -0.35 4.77 0.31 -2.55 117.00 123.15 2wdi n LEU 60 Ca -0.02 -5.37 0.00 0.00 -0.03 0.00 0.00 56.01 50.58 2wdi n LEU 60 Cb 0.56 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2wdi n LEU 60 CO 0.43 1.97 0.17 0.00 -1.33 0.00 0.00 177.39 178.63 2wdi n LEU 61 N 0.45 1.04 0.20 2.23 -0.00 -1.25 -3.97 117.00 115.70 2wdi n LEU 61 Ca 0.37 0.38 0.06 0.00 -0.00 0.00 0.00 56.01 56.82 2wdi n LEU 61 Cb 0.31 -0.10 0.56 0.00 -0.00 0.00 0.00 43.42 44.20 2wdi n LEU 61 CO 0.56 -0.10 1.04 -0.07 -0.00 0.00 0.00 177.39 178.83 2wdi h LEU 62 N 0.00 0.09-10.11 1.47 3.38 -1.88 -3.42 115.31 104.84 2wdi h LEU 62 Ca 0.00 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 2wdi h LEU 62 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2wdi h LEU 62 CO 0.00 0.11 -0.13 -2.16 0.09 0.00 0.00 178.44 176.35 2wdi s PRO 63 N -5.04 3.63 0.74 1.13 0.04 -1.25 -4.93 135.00 129.31 2wdi s PRO 63 Ca -0.05 0.00 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2wdi s PRO 63 Cb 0.17 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2wdi s PRO 63 CO 0.69 0.19 0.00 0.66 0.04 0.00 0.00 177.00 178.58 2wdi n TYR 64 N -1.02 -1.91 0.00 0.56 4.02 -1.26 -4.73 117.16 112.82 2wdi n TYR 64 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 2wdi n TYR 64 Cb 0.54 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 2wdi n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94