#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w41 s VAL 1 N 0.00 3.84 -0.52 1.12 1.01 -1.26 -4.98 120.40 119.60 1w41 s VAL 1 Ca 0.00 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 1w41 s VAL 1 Cb 0.00 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1w41 s VAL 1 CO 0.00 -0.39 0.72 -0.62 0.00 0.00 0.00 175.10 174.81 1w41 s ASP 2 N 3.87 6.25 0.14 3.32 3.68 -1.26 -4.98 116.67 127.69 1w41 s ASP 2 Ca 0.66 -0.77 -0.25 0.00 2.13 0.00 0.00 52.55 54.32 1w41 s ASP 2 Cb -0.21 -2.33 -0.02 0.00 -1.45 0.00 0.00 42.92 38.91 1w41 s ASP 2 CO 0.28 -1.00 1.62 0.15 0.13 0.00 0.00 175.17 176.34 1w41 h PHE 3 N 9.10 -0.79 -0.40 -5.34 3.57 -1.98 -0.34 116.94 120.76 1w41 h PHE 3 Ca -0.27 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.32 1w41 h PHE 3 Cb 1.09 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1w41 h PHE 3 CO 0.80 -0.37 0.12 0.00 -2.23 0.00 0.00 178.31 176.64 1w41 h ALA 4 N 0.51 0.46 -0.23 2.41 0.00 -1.99 0.62 119.26 121.04 1w41 h ALA 4 Ca 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1w41 h ALA 4 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1w41 h ALA 4 CO -0.33 -0.27 0.00 0.35 0.00 0.00 0.00 179.25 178.99 1w41 h PHE 5 N 0.27 0.44 -0.01 0.00 3.57 -1.88 -2.80 116.94 116.53 1w41 h PHE 5 Ca 0.19 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1w41 h PHE 5 Cb 0.19 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1w41 h PHE 5 CO -0.16 0.58 -0.62 0.93 -2.23 0.00 0.00 178.31 176.80 1w41 h GLU 6 N 0.18 0.04 -0.30 1.11 4.39 -0.87 -0.80 114.58 118.34 1w41 h GLU 6 Ca 0.07 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1w41 h GLU 6 Cb 0.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1w41 h GLU 6 CO 0.01 0.65 -0.05 1.25 -1.16 0.00 0.00 179.01 179.71 1w41 h LEU 7 N 0.03 0.56 -0.75 1.33 5.85 -0.91 0.79 115.31 122.22 1w41 h LEU 7 Ca -0.01 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1w41 h LEU 7 Cb 1.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1w41 h LEU 7 CO 0.08 0.78 0.30 -0.09 -0.34 0.00 0.00 178.44 179.18 1w41 h ARG 8 N 0.33 1.12 -0.59 1.25 2.43 -1.31 -0.50 114.38 117.12 1w41 h ARG 8 Ca 0.08 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1w41 h ARG 8 Cb 0.53 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1w41 h ARG 8 CO 0.03 0.92 0.10 -0.22 -1.51 0.00 0.00 179.97 179.29 1w41 h LYS 9 N 1.08 0.94 -0.61 0.20 3.64 -0.79 -0.78 116.57 120.26 1w41 h LYS 9 Ca 0.25 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1w41 h LYS 9 Cb 0.21 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1w41 h LYS 9 CO -0.02 0.87 0.17 0.00 -2.27 0.00 0.00 179.45 178.20 1w41 h ALA 10 N 1.22 0.80 -0.88 5.00 0.00 -0.52 -0.33 119.26 124.54 1w41 h ALA 10 Ca 0.19 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1w41 h ALA 10 Cb 0.38 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1w41 h ALA 10 CO 0.01 0.49 0.58 0.37 0.00 0.00 0.00 179.25 180.69 1w41 h GLN 11 N 0.87 1.06 0.00 0.00 4.15 -0.28 0.75 115.11 121.67 1w41 h GLN 11 Ca 0.19 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1w41 h GLN 11 Cb 0.32 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1w41 h GLN 11 CO -0.00 0.70 -1.46 -0.25 -1.93 0.00 0.00 178.83 175.89 1w41 n ASP 12 N -4.45 0.67 -0.00 -0.69 8.00 -0.38 -4.46 116.55 115.25 1w41 n ASP 12 Ca 0.12 0.28 0.01 0.00 0.71 0.00 0.00 54.79 55.90 1w41 n ASP 12 Cb 0.11 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.78 1w41 n ASP 12 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1w41 n THR 13 N -2.73 0.00 0.00 -3.53 -2.24 -0.15 -5.05 114.28 100.59 1w41 n THR 13 Ca -0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1w41 n THR 13 Cb 0.74 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1w41 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w41 n GLY 14 N 1.32 3.24 3.12 3.38 0.00 0.25 -4.33 105.19 112.18 1w41 n GLY 14 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1w41 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w41 s LYS 15 N 4.39 0.25 0.17 1.61 2.20 0.09 -4.88 119.74 123.56 1w41 s LYS 15 Ca 0.00 0.76 0.09 0.00 -0.36 0.00 0.00 55.97 56.46 1w41 s LYS 15 Cb 0.00 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1w41 s LYS 15 CO 0.00 -0.22 -0.18 0.96 -0.36 0.00 0.00 175.35 175.55 1w41 s ILE 16 N 1.96 1.84 -0.02 5.43 -4.36 -1.26 -0.63 121.20 124.16 1w41 s ILE 16 Ca -0.04 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1w41 s ILE 16 Cb -0.11 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1w41 s ILE 16 CO -0.10 -0.32 -0.24 0.68 0.24 0.00 0.00 174.94 175.19 1w41 s VAL 17 N -2.07 1.93 0.05 8.37 -7.23 -0.09 -4.93 120.40 116.42 1w41 s VAL 17 Ca 0.16 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1w41 s VAL 17 Cb -0.06 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1w41 s VAL 17 CO 0.07 0.54 -0.01 -0.04 -0.31 0.00 0.00 175.10 175.36 1w41 s MET 18 N -0.53 2.65 0.00 4.82 -1.94 -1.26 -0.55 119.30 122.48 1w41 s MET 18 Ca 0.08 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 1w41 s MET 18 Cb -0.10 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1w41 s MET 18 CO -0.01 0.58 0.00 0.41 -0.01 0.00 0.00 175.02 175.99 1w41 n GLY 19 N 0.99 2.22 0.35 -0.03 0.00 0.74 -4.58 105.19 104.88 1w41 n GLY 19 Ca -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.04 1w41 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w41 h ALA 20 N 0.00 1.14 0.53 4.61 0.00 -1.94 -1.49 119.26 122.12 1w41 h ALA 20 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1w41 h ALA 20 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.44 1w41 h ALA 20 CO 0.00 0.61 -0.26 -0.09 0.00 0.00 0.00 179.25 179.51 1w41 h ARG 21 N 1.23 -0.69 -0.22 0.00 2.43 -1.95 -0.51 114.38 114.68 1w41 h ARG 21 Ca 0.32 0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.39 1w41 h ARG 21 Cb -0.04 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1w41 h ARG 21 CO -0.06 -0.45 -0.47 0.87 -1.51 0.00 0.00 179.97 178.35 1w41 h LYS 22 N -0.74 0.57 -0.73 0.20 1.57 -1.80 -2.39 116.57 113.25 1w41 h LYS 22 Ca -0.07 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1w41 h LYS 22 Cb 0.56 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1w41 h LYS 22 CO 0.12 0.92 0.46 0.77 -0.57 0.00 0.00 179.45 181.15 1w41 h SER 23 N 0.46 0.86 -0.40 0.86 0.02 -1.13 0.52 113.55 114.74 1w41 h SER 23 Ca 0.03 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1w41 h SER 23 Cb 1.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1w41 h SER 23 CO 0.09 0.65 -0.13 0.40 -1.14 0.00 0.00 176.83 176.70 1w41 h ILE 24 N 0.99 1.28 -0.30 3.27 2.04 -1.00 -1.20 117.51 122.59 1w41 h ILE 24 Ca 0.26 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1w41 h ILE 24 Cb -0.07 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1w41 h ILE 24 CO -0.05 0.41 0.02 -0.61 0.00 0.00 0.00 178.15 177.92 1w41 h GLN 25 N 0.60 0.11 -0.28 2.37 4.15 -1.09 0.73 115.11 121.71 1w41 h GLN 25 Ca 0.10 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1w41 h GLN 25 Cb 0.67 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1w41 h GLN 25 CO 0.05 0.07 -0.32 1.88 -1.93 0.00 0.00 178.83 178.58 1w41 h TYR 26 N 0.12 0.68 -0.16 3.99 0.05 -0.82 -0.77 116.97 120.06 1w41 h TYR 26 Ca 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1w41 h TYR 26 Cb 0.18 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1w41 h TYR 26 CO -0.20 0.84 0.08 0.00 -1.05 0.00 0.00 178.16 177.83 1w41 h ALA 27 N 1.15 0.21 -0.43 3.88 0.00 -0.96 0.43 119.26 123.54 1w41 h ALA 27 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1w41 h ALA 27 Cb 0.80 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1w41 h ALA 27 CO 0.07 -0.23 -0.01 0.87 0.00 0.00 0.00 179.25 179.94 1w41 h LYS 28 N 0.14 0.09 -0.00 0.00 1.57 -0.62 -2.34 116.57 115.41 1w41 h LYS 28 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1w41 h LYS 28 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1w41 h LYS 28 CO -0.01 0.06 -0.03 0.00 -0.57 0.00 0.00 179.45 178.91 1w41 n MET 29 N -5.22 0.42 -2.39 3.15 0.00 -0.32 -4.90 117.12 107.86 1w41 n MET 29 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 57.70 57.60 1w41 n MET 29 Cb 0.23 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 31.95 1w41 n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1w41 n GLY 30 N 1.31 0.08 0.65 3.17 0.00 -0.81 -4.95 105.19 104.64 1w41 n GLY 30 Ca 0.13 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1w41 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w41 n GLY 31 N -1.05 3.36 3.35 -0.02 0.00 0.08 -4.95 105.19 105.96 1w41 n GLY 31 Ca -0.08 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 1w41 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w41 s ALA 32 N -1.77 2.00 -0.53 4.61 0.00 -1.24 -4.72 121.76 120.11 1w41 s ALA 32 Ca 0.29 -1.70 0.17 0.00 0.00 0.00 0.00 51.96 50.72 1w41 s ALA 32 Cb 0.20 0.02 -0.21 0.00 0.00 0.00 0.00 23.12 23.13 1w41 s ALA 32 CO 0.11 0.00 0.60 1.63 0.00 0.00 0.00 175.76 178.10 1w41 n LYS 33 N -0.40 1.19 -3.63 0.00 5.02 0.24 -4.90 118.16 115.67 1w41 n LYS 33 Ca -0.07 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.05 1w41 n LYS 33 Cb 0.61 -1.32 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 1w41 n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1w41 s LEU 34 N -3.25 -0.75 -0.11 -0.35 2.96 -1.20 -4.31 118.68 111.68 1w41 s LEU 34 Ca 0.02 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1w41 s LEU 34 Cb 0.12 2.35 -0.02 0.00 0.50 0.00 0.00 46.19 49.14 1w41 s LEU 34 CO 0.69 -0.23 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.78 1w41 s ILE 35 N 0.67 3.50 -0.11 6.68 -1.09 -0.66 -0.82 121.20 129.37 1w41 s ILE 35 Ca -0.02 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 1w41 s ILE 35 Cb -0.05 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.35 1w41 s ILE 35 CO -0.05 0.54 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.39 1w41 s ILE 36 N -0.11 2.62 -0.01 2.92 1.01 0.26 -0.76 121.20 127.14 1w41 s ILE 36 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1w41 s ILE 36 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1w41 s ILE 36 CO 0.03 0.55 -0.24 0.68 0.00 0.00 0.00 174.94 175.96 1w41 s VAL 37 N 0.21 1.87 0.66 2.92 -7.23 -0.46 -1.07 120.40 117.30 1w41 s VAL 37 Ca -0.11 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.85 1w41 s VAL 37 Cb -0.16 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1w41 s VAL 37 CO 0.06 0.48 1.11 0.00 -0.31 0.00 0.00 175.10 176.44 1w41 s ALA 38 N -0.60 2.46 0.49 1.32 0.00 0.59 -0.57 121.76 125.45 1w41 s ALA 38 Ca 0.09 0.56 0.22 0.00 0.00 0.00 0.00 51.96 52.83 1w41 s ALA 38 Cb -0.09 -3.32 1.38 0.00 0.00 0.00 0.00 23.12 21.08 1w41 s ALA 38 CO -0.00 -1.30 2.11 0.07 0.00 0.00 0.00 175.76 176.64 1w41 h ARG 39 N 0.01 0.00 -0.57 0.00 0.11 -1.17 -1.69 114.38 111.07 1w41 h ARG 39 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1w41 h ARG 39 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1w41 h ARG 39 CO 0.54 0.08 0.00 0.27 0.10 0.00 0.00 179.97 180.96 1w41 n ASN 40 N -4.09 5.10 -4.64 0.08 6.94 -1.26 -4.96 115.26 112.43 1w41 n ASN 40 Ca -0.03 -2.72 -0.43 0.00 -0.02 0.00 0.00 54.58 51.38 1w41 n ASN 40 Cb 0.17 -0.62 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 1w41 n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w41 n ALA 41 N 0.71 0.47 -1.65 -2.53 0.00 -0.64 -4.86 120.51 112.02 1w41 n ALA 41 Ca 0.26 0.36 -0.46 0.00 0.00 0.00 0.00 53.44 53.60 1w41 n ALA 41 Cb 1.03 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1w41 n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1w41 n ARG 42 N 0.57 1.91 -0.27 0.00 0.63 -1.26 -4.68 116.66 113.57 1w41 n ARG 42 Ca 0.07 0.68 0.07 0.00 -0.92 0.00 0.00 57.85 57.76 1w41 n ARG 42 Cb 0.35 -2.36 0.19 0.00 0.45 0.00 0.00 32.46 31.08 1w41 n ARG 42 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1w41 h PRO 43 N 4.73 0.15 -0.08 -0.14 0.11 -1.97 0.58 132.00 135.38 1w41 h PRO 43 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1w41 h PRO 43 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1w41 h PRO 43 CO 0.80 0.10 -0.41 0.38 -0.21 0.00 0.00 178.00 178.66 1w41 h ASP 44 N 0.15 0.18 -0.21 -2.05 2.03 -1.99 -0.42 116.42 114.11 1w41 h ASP 44 Ca 0.45 -0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 56.60 1w41 h ASP 44 Cb 0.81 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1w41 h ASP 44 CO -0.64 0.58 -0.16 0.40 -1.03 0.00 0.00 179.24 178.39 1w41 h ILE 45 N 0.15 1.32 -0.35 4.15 2.04 -1.32 -0.39 117.51 123.11 1w41 h ILE 45 Ca 0.01 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 64.65 1w41 h ILE 45 Cb 0.79 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1w41 h ILE 45 CO 0.06 0.39 -0.06 0.11 0.00 0.00 0.00 178.15 178.65 1w41 h LYS 46 N 0.16 0.03 -0.55 2.37 1.57 -0.91 -0.74 116.57 118.49 1w41 h LYS 46 Ca 0.04 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1w41 h LYS 46 Cb 0.69 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1w41 h LYS 46 CO 0.04 0.02 0.10 0.93 -0.57 0.00 0.00 179.45 179.97 1w41 h GLU 47 N 0.03 0.91 -0.14 3.15 5.08 -0.95 0.56 114.58 123.21 1w41 h GLU 47 Ca 0.17 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1w41 h GLU 47 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1w41 h GLU 47 CO -0.34 0.88 0.08 -0.44 -1.00 0.00 0.00 179.01 178.19 1w41 h ASP 48 N 0.81 0.18 -0.17 1.42 3.32 -0.97 -0.92 116.42 120.09 1w41 h ASP 48 Ca 0.17 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1w41 h ASP 48 Cb 0.40 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1w41 h ASP 48 CO 0.01 0.20 -0.05 0.40 -1.72 0.00 0.00 179.24 178.09 1w41 h ILE 49 N 0.14 0.82 -0.90 0.35 2.04 -0.90 -0.36 117.51 118.70 1w41 h ILE 49 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1w41 h ILE 49 Cb 0.06 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1w41 h ILE 49 CO -0.01 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.40 1w41 h GLU 50 N -0.00 1.04 0.31 2.37 5.08 -0.76 -0.49 114.58 122.12 1w41 h GLU 50 Ca 0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1w41 h GLU 50 Cb 0.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1w41 h GLU 50 CO -0.18 0.69 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.45 1w41 h TYR 51 N 1.08 -0.38 -0.49 4.33 3.20 -0.70 -1.27 116.97 122.73 1w41 h TYR 51 Ca 0.37 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1w41 h TYR 51 Cb 0.10 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1w41 h TYR 51 CO -0.00 -0.04 0.14 1.88 -1.64 0.00 0.00 178.16 178.50 1w41 h TYR 52 N -0.87 0.74 -0.47 -3.82 0.05 -0.98 -1.24 116.97 110.38 1w41 h TYR 52 Ca -0.04 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.61 1w41 h TYR 52 Cb 0.52 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1w41 h TYR 52 CO 0.04 0.62 -0.01 0.00 -1.05 0.00 0.00 178.16 177.76 1w41 h ALA 53 N 1.44 0.63 -0.65 3.88 0.00 -1.11 -2.64 119.26 120.81 1w41 h ALA 53 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1w41 h ALA 53 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1w41 h ALA 53 CO -0.01 0.44 0.42 -0.09 0.00 0.00 0.00 179.25 180.01 1w41 h ARG 54 N 0.68 0.87 -0.59 0.00 2.43 -0.50 0.24 114.38 117.51 1w41 h ARG 54 Ca 0.13 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1w41 h ARG 54 Cb 0.51 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1w41 h ARG 54 CO 0.03 0.59 0.39 -0.07 -1.51 0.00 0.00 179.97 179.40 1w41 h LEU 55 N 0.89 0.57 -0.46 3.80 3.38 -0.89 -3.14 115.31 119.47 1w41 h LEU 55 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1w41 h LEU 55 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1w41 h LEU 55 CO -0.05 0.39 -0.60 -1.54 0.09 0.00 0.00 178.44 176.73 1w41 n SER 56 N -4.47 1.29 -0.03 -0.43 3.41 -0.75 -4.98 113.62 107.66 1w41 n SER 56 Ca 0.07 -1.15 -0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1w41 n SER 56 Cb 0.16 0.74 -0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1w41 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w41 n GLY 57 N 1.33 0.36 3.68 5.00 0.00 -0.07 -5.04 105.19 110.44 1w41 n GLY 57 Ca 0.05 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1w41 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w41 s ILE 58 N -2.01 5.26 0.54 -0.61 1.01 -0.36 -5.02 121.20 120.01 1w41 s ILE 58 Ca 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 61.01 1w41 s ILE 58 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 1w41 s ILE 58 CO 0.00 0.31 1.12 -2.16 0.00 0.00 0.00 174.94 174.21 1w41 s PRO 59 N 1.05 3.38 -0.08 2.79 0.04 -1.26 -4.39 135.00 136.53 1w41 s PRO 59 Ca 0.16 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1w41 s PRO 59 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1w41 s PRO 59 CO 0.06 -0.82 -0.19 0.08 0.04 0.00 0.00 177.00 176.17 1w41 s VAL 60 N -1.81 1.65 -0.11 -0.36 1.01 -1.26 -1.65 120.40 117.88 1w41 s VAL 60 Ca 0.72 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1w41 s VAL 60 Cb -0.23 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1w41 s VAL 60 CO 0.27 0.47 -0.23 -0.47 0.00 0.00 0.00 175.10 175.14 1w41 s TYR 61 N 0.35 2.59 -0.34 5.22 6.14 0.06 -4.98 117.35 126.38 1w41 s TYR 61 Ca -0.14 -1.07 -0.18 0.00 0.64 0.00 0.00 57.07 56.33 1w41 s TYR 61 Cb -0.16 -1.73 -0.01 0.00 0.42 0.00 0.00 41.96 40.49 1w41 s TYR 61 CO 0.06 -0.44 0.50 -2.00 0.64 0.00 0.00 175.55 174.32 1w41 s GLU 62 N 0.40 3.66 0.25 4.97 2.12 -1.26 -1.36 118.70 127.49 1w41 s GLU 62 Ca -0.17 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1w41 s GLU 62 Cb -0.18 -3.79 -0.10 0.00 0.26 0.00 0.00 34.13 30.32 1w41 s GLU 62 CO 0.07 -0.61 1.44 0.12 -0.54 0.00 0.00 175.26 175.74 1w41 s PHE 63 N 2.37 3.01 -0.81 5.30 5.99 0.27 -4.94 117.98 129.17 1w41 s PHE 63 Ca 0.19 1.04 0.20 0.00 0.00 0.00 0.00 56.93 58.36 1w41 s PHE 63 Cb -0.15 -3.82 0.83 0.00 0.00 0.00 0.00 43.02 39.88 1w41 s PHE 63 CO 0.13 -2.65 1.63 -0.85 -0.00 0.00 0.00 175.22 173.48 1w41 n GLU 64 N 2.24 0.09 -3.11 10.12 0.28 -1.26 -2.58 120.64 126.42 1w41 n GLU 64 Ca 0.06 0.27 -0.20 0.00 -0.16 0.00 0.00 57.16 57.13 1w41 n GLU 64 Cb 0.40 -1.65 0.06 0.00 1.43 0.00 0.00 31.44 31.68 1w41 n GLU 64 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1w41 s GLY 65 N -3.23 1.76 0.84 -1.84 0.00 -1.26 -4.79 107.32 98.79 1w41 s GLY 65 Ca 0.07 -2.12 -0.13 0.00 0.00 0.00 0.00 44.72 42.54 1w41 s GLY 65 CO 0.37 -1.73 1.20 -0.51 0.00 0.00 0.00 173.10 172.43 1w41 s THR 66 N -2.71 2.00 0.56 0.90 -4.23 -1.26 -2.19 115.64 108.71 1w41 s THR 66 Ca 0.60 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.36 1w41 s THR 66 Cb -0.05 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.12 1w41 s THR 66 CO 0.38 0.00 2.21 0.77 -0.54 0.00 0.00 174.62 177.45 1w41 h SER 67 N -1.17 0.00 -0.08 3.99 4.64 -1.92 0.81 113.55 119.83 1w41 h SER 67 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1w41 h SER 67 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1w41 h SER 67 CO 0.61 0.00 0.00 0.58 -0.87 0.00 0.00 176.83 177.15 1w41 h VAL 68 N 0.00 1.24 -0.59 0.95 2.07 -1.89 -1.31 116.25 116.73 1w41 h VAL 68 Ca 0.00 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1w41 h VAL 68 Cb 0.02 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1w41 h VAL 68 CO -0.00 0.21 0.05 -0.33 0.02 0.00 0.00 177.57 177.52 1w41 h GLU 69 N -0.13 1.00 -0.47 1.57 5.08 -1.62 -1.37 114.58 118.64 1w41 h GLU 69 Ca 0.02 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1w41 h GLU 69 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1w41 h GLU 69 CO 0.00 0.97 0.17 1.25 -1.00 0.00 0.00 179.01 180.40 1w41 h LEU 70 N 0.90 0.67 -0.45 1.33 5.85 -0.90 -0.60 115.31 122.11 1w41 h LEU 70 Ca 0.17 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1w41 h LEU 70 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1w41 h LEU 70 CO 0.02 0.68 0.24 1.23 -0.34 0.00 0.00 178.44 180.27 1w41 h GLY 71 N 0.62 0.62 1.01 3.75 0.00 -1.10 -1.88 103.07 106.10 1w41 h GLY 71 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1w41 h GLY 71 CO -0.01 0.13 0.28 -0.84 0.00 0.00 0.00 176.54 176.10 1w41 h THR 72 N 0.48 1.24 -0.75 4.70 2.02 -0.94 0.05 112.91 119.71 1w41 h THR 72 Ca 0.19 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1w41 h THR 72 Cb 0.07 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1w41 h THR 72 CO -0.11 0.29 0.49 -0.07 0.37 0.00 0.00 175.52 176.49 1w41 h LEU 73 N 0.94 0.79 -0.75 2.58 3.38 -0.73 -1.87 115.31 119.65 1w41 h LEU 73 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1w41 h LEU 73 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1w41 h LEU 73 CO -0.02 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1w41 n LEU 74 N -4.45 1.09 -0.05 1.67 4.77 -0.74 -4.88 117.00 114.41 1w41 n LEU 74 Ca 0.09 -0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 55.55 1w41 n LEU 74 Cb 0.12 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1w41 n LEU 74 CO 0.35 0.26 -0.01 0.61 -1.33 0.00 0.00 177.39 177.27 1w41 n GLY 75 N 0.88 0.46 3.71 -0.72 0.00 -0.70 -5.04 105.19 103.78 1w41 n GLY 75 Ca 0.09 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1w41 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w41 s ARG 76 N -1.36 3.03 -0.05 1.61 1.81 -0.07 -5.00 118.95 118.93 1w41 s ARG 76 Ca 0.00 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 53.66 1w41 s ARG 76 Cb 0.00 -2.84 0.17 0.00 -0.45 0.00 0.00 34.95 31.83 1w41 s ARG 76 CO 0.00 0.71 0.78 -0.35 -0.68 0.00 0.00 175.30 175.77 1w41 n PRO 77 N 2.11 1.79 -4.30 3.54 -0.04 -1.26 -3.55 135.00 133.29 1w41 n PRO 77 Ca -0.19 -0.65 -0.16 0.00 -0.04 0.00 0.00 63.50 62.47 1w41 n PRO 77 Cb 0.54 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1w41 n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1w41 s HIS 78 N -1.40 1.45 0.52 0.54 -3.43 -1.26 -5.07 115.29 106.64 1w41 s HIS 78 Ca 0.11 -1.14 -0.21 0.00 -0.80 0.00 0.00 55.06 53.02 1w41 s HIS 78 Cb 0.08 -0.84 -0.06 0.00 -1.43 0.00 0.00 32.58 30.33 1w41 s HIS 78 CO 0.04 -0.30 1.22 0.95 -2.00 0.00 0.00 174.74 174.64 1w41 s THR 79 N -3.73 2.75 -0.16 -5.38 -4.23 -1.26 -4.37 115.64 99.25 1w41 s THR 79 Ca 0.34 0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1w41 s THR 79 Cb 0.07 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1w41 s THR 79 CO 0.11 -0.04 0.00 -0.69 -0.54 0.00 0.00 174.62 173.47 1w41 s VAL 80 N -1.51 0.66 -0.72 2.29 1.01 -0.59 -4.87 120.40 116.67 1w41 s VAL 80 Ca 0.69 -0.45 0.22 0.00 0.00 0.00 0.00 61.98 62.45 1w41 s VAL 80 Cb -0.32 -1.01 -0.16 0.00 0.00 0.00 0.00 36.38 34.90 1w41 s VAL 80 CO 0.37 -0.02 0.97 -1.54 0.00 0.00 0.00 175.10 174.88 1w41 n SER 81 N 5.02 0.66 -3.46 3.32 3.41 -1.26 -4.27 113.62 117.03 1w41 n SER 81 Ca -0.09 -0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 57.93 1w41 n SER 81 Cb 0.48 0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 1w41 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w41 s ALA 82 N -3.14 -1.64 0.12 7.33 0.00 -1.26 -0.30 121.76 122.86 1w41 s ALA 82 Ca 0.05 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 1w41 s ALA 82 Cb 0.15 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1w41 s ALA 82 CO 0.82 -0.62 0.39 -0.48 0.00 0.00 0.00 175.76 175.87 1w41 s LEU 83 N -2.20 0.43 -0.07 0.00 0.05 -0.23 -0.19 118.68 116.48 1w41 s LEU 83 Ca -0.03 -0.30 0.04 0.00 0.05 0.00 0.00 54.13 53.90 1w41 s LEU 83 Cb -0.01 1.80 -0.00 0.00 -2.05 0.00 0.00 46.19 45.93 1w41 s LEU 83 CO -0.05 -0.83 -0.22 0.00 -0.55 0.00 0.00 176.35 174.71 1w41 s ALA 84 N -3.67 1.94 -0.39 1.48 0.00 0.29 -0.57 121.76 120.83 1w41 s ALA 84 Ca 0.02 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 1w41 s ALA 84 Cb 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1w41 s ALA 84 CO -0.11 0.30 0.79 0.08 0.00 0.00 0.00 175.76 176.82 1w41 s VAL 85 N 0.17 4.70 -0.16 0.00 1.01 -0.00 -0.92 120.40 125.21 1w41 s VAL 85 Ca -0.11 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1w41 s VAL 85 Cb -0.15 -4.25 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1w41 s VAL 85 CO 0.06 -0.53 0.47 0.58 0.00 0.00 0.00 175.10 175.68 1w41 h VAL 86 N 5.83 1.21 -3.31 2.92 2.07 -1.16 0.71 116.25 124.53 1w41 h VAL 86 Ca -0.25 -2.29 -0.46 0.00 0.82 0.00 0.00 66.70 64.52 1w41 h VAL 86 Cb 1.09 2.71 -0.36 0.00 -1.52 0.00 0.00 31.29 33.21 1w41 h VAL 86 CO 0.93 0.51 -0.78 -0.62 0.02 0.00 0.00 177.57 177.62 1w41 s ASP 87 N -6.71 1.60 0.00 0.57 2.15 -0.67 -4.44 116.67 109.17 1w41 s ASP 87 Ca -0.23 -0.18 0.20 0.00 0.43 0.00 0.00 52.55 52.77 1w41 s ASP 87 Cb 0.03 -0.60 0.94 0.00 -0.30 0.00 0.00 42.92 42.99 1w41 s ASP 87 CO 0.67 -0.11 1.65 -0.81 -0.17 0.00 0.00 175.17 176.40 1w41 n PRO 88 N 4.65 0.12 0.00 4.34 -0.04 -1.26 -0.74 135.00 142.07 1w41 n PRO 88 Ca -0.15 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1w41 n PRO 88 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1w41 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w41 n GLY 89 N 0.55 3.27 0.60 0.55 0.00 -1.26 -1.61 105.19 107.29 1w41 n GLY 89 Ca 0.07 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1w41 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w41 n ALA 90 N 10.82 2.49 -2.22 4.61 0.00 -1.26 -4.90 120.51 130.06 1w41 n ALA 90 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 1w41 n ALA 90 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1w41 n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1w41 s SER 91 N -1.39 5.93 -0.14 0.00 1.04 -0.63 -5.00 113.70 113.50 1w41 s SER 91 Ca 0.30 0.73 0.15 0.00 0.48 0.00 0.00 55.95 57.61 1w41 s SER 91 Cb 0.16 -1.91 0.69 0.00 0.10 0.00 0.00 66.02 65.05 1w41 s SER 91 CO 0.23 -0.78 1.58 0.54 0.98 0.00 0.00 173.24 175.79 1w41 n ARG 92 N -2.34 3.85 0.12 4.02 1.74 -1.26 -4.69 116.66 118.10 1w41 n ARG 92 Ca 0.02 -2.68 0.09 0.00 -0.77 0.00 0.00 57.85 54.51 1w41 n ARG 92 Cb 0.56 -1.97 0.57 0.00 -1.02 0.00 0.00 32.46 30.61 1w41 n ARG 92 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1w41 h ILE 93 N 3.68 0.98 0.00 0.55 6.09 -1.88 -1.64 117.51 125.29 1w41 h ILE 93 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1w41 h ILE 93 Cb 1.52 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1w41 h ILE 93 CO 0.30 0.03 0.00 0.18 -3.07 0.00 0.00 178.15 175.59 1w41 n LEU 94 N -4.49 0.43 0.30 2.19 4.77 -1.26 -2.32 117.00 116.62 1w41 n LEU 94 Ca 0.02 0.59 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 1w41 n LEU 94 Cb 0.19 -0.52 0.94 0.00 -2.33 0.00 0.00 43.42 41.69 1w41 n LEU 94 CO 0.35 -0.38 1.12 0.00 -1.33 0.00 0.00 177.39 177.14 1w41 h ALA 95 N 2.42 1.43 0.00 -1.18 0.00 -1.67 -1.45 119.26 118.81 1w41 h ALA 95 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1w41 h ALA 95 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1w41 h ALA 95 CO 0.00 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1w41 h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.66 -2.40 115.31 114.64 1w41 h LEU 96 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w41 h LEU 96 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1w41 h LEU 96 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1w41 n GLY 97 N -0.19 -1.09 0.00 0.83 0.00 -0.55 -4.87 105.19 99.32 1w41 n GLY 97 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1w41 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w41 n GLY 98 N 0.60 -0.25 0.00 -0.02 0.00 -0.90 -4.87 105.19 99.74 1w41 n GLY 98 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1w41 n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49