#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl s LYS 3 N 0.00 0.30 -1.31 0.00 -2.85 -1.26 -5.05 119.74 109.57 1xbl s LYS 3 Ca 0.00 -0.49 -0.17 0.00 -1.00 0.00 0.00 55.97 54.31 1xbl s LYS 3 Cb 0.00 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1xbl s LYS 3 CO 0.00 -0.05 2.03 0.94 0.10 0.00 0.00 175.35 178.37 1xbl n GLN 4 N 1.77 2.71 -3.37 1.78 7.27 -1.26 -4.87 117.38 121.41 1xbl n GLN 4 Ca -0.22 -2.69 -0.38 0.00 0.07 0.00 0.00 57.00 53.77 1xbl n GLN 4 Cb 0.56 -3.33 -0.06 0.00 2.41 0.00 0.00 30.24 29.82 1xbl n GLN 4 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xbl s ASP 5 N 3.91 6.83 0.00 1.69 2.15 -1.26 -4.85 116.67 125.14 1xbl s ASP 5 Ca 0.52 0.99 0.03 0.00 0.43 0.00 0.00 52.55 54.52 1xbl s ASP 5 Cb 0.10 -2.29 -0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1xbl s ASP 5 CO -0.00 0.19 0.39 -1.22 -0.17 0.00 0.00 175.17 174.36 1xbl n TYR 6 N 2.48 0.00 -0.05 -5.34 4.01 -1.26 -4.72 117.16 112.28 1xbl n TYR 6 Ca -0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 1xbl n TYR 6 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1xbl n TYR 6 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1xbl h TYR 7 N 0.38 0.28 -0.06 -0.72 0.05 -1.90 0.04 116.97 115.04 1xbl h TYR 7 Ca 0.00 -0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.59 1xbl h TYR 7 Cb 0.12 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1xbl h TYR 7 CO 0.00 0.37 -0.69 1.49 -1.05 0.00 0.00 178.16 178.27 1xbl h GLU 8 N 0.11 0.27 -0.40 4.88 4.81 -1.86 0.17 114.58 122.55 1xbl h GLU 8 Ca 0.06 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1xbl h GLU 8 Cb 0.22 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 1xbl h GLU 8 CO -0.00 0.86 -0.02 0.82 -0.73 0.00 0.00 179.01 179.94 1xbl h ILE 9 N 0.19 0.68 0.00 2.32 2.04 -1.83 -1.77 117.51 119.14 1xbl h ILE 9 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xbl h ILE 9 Cb 1.24 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1xbl h ILE 9 CO 0.11 0.02 0.00 -0.11 0.00 0.00 0.00 178.15 178.17 1xbl n LEU 10 N -5.21 0.74 -0.39 1.44 7.94 -0.01 -4.80 117.00 116.70 1xbl n LEU 10 Ca 0.03 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1xbl n LEU 10 Cb 0.21 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1xbl n LEU 10 CO 0.19 -0.43 0.00 0.61 -1.11 0.00 0.00 177.39 176.65 1xbl n GLY 11 N 0.48 0.80 3.30 -3.96 0.00 0.46 -4.62 105.19 101.63 1xbl n GLY 11 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1xbl n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbl s VAL 12 N -2.43 0.09 0.58 1.61 0.11 -1.05 -5.03 120.40 114.28 1xbl s VAL 12 Ca 0.00 -0.90 -0.20 0.00 -2.93 0.00 0.00 61.98 57.95 1xbl s VAL 12 Cb 0.00 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 1xbl s VAL 12 CO 0.00 -0.42 1.31 -0.55 -3.33 0.00 0.00 175.10 172.11 1xbl s SER 13 N -2.85 5.13 0.00 3.54 0.15 -1.26 -3.99 113.70 114.42 1xbl s SER 13 Ca 0.06 2.64 -0.02 0.00 0.70 0.00 0.00 55.95 59.33 1xbl s SER 13 Cb 0.03 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 1xbl s SER 13 CO -0.10 -1.65 2.00 0.29 1.20 0.00 0.00 173.24 174.97 1xbl n LYS 14 N -1.32 1.03 -0.71 5.44 5.02 -1.26 -2.37 118.16 123.98 1xbl n LYS 14 Ca 0.12 -0.25 -0.04 0.00 -2.02 0.00 0.00 58.31 56.12 1xbl n LYS 14 Cb 0.47 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1xbl n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xbl n THR 15 N 1.94 0.00 -2.02 -0.18 5.66 -1.26 -5.03 114.28 113.38 1xbl n THR 15 Ca 0.11 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.69 1xbl n THR 15 Cb 0.49 0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.50 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xbl s ALA 16 N 0.00 3.63 0.59 1.79 0.00 -1.00 -4.99 121.76 121.78 1xbl s ALA 16 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 1xbl s ALA 16 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1xbl s ALA 16 CO 0.00 -0.73 1.20 -2.00 0.00 0.00 0.00 175.76 174.23 1xbl s GLU 17 N -0.22 2.98 0.32 0.00 2.12 -1.26 -4.80 118.70 117.84 1xbl s GLU 17 Ca 0.60 1.80 0.06 0.00 0.36 0.00 0.00 54.97 57.78 1xbl s GLU 17 Cb -0.42 -1.93 0.71 0.00 0.26 0.00 0.00 34.13 32.75 1xbl s GLU 17 CO 0.42 -1.19 1.84 1.49 -0.54 0.00 0.00 175.26 177.27 1xbl h GLU 18 N 0.86 0.80 -0.69 4.30 4.22 -1.92 0.11 114.58 122.26 1xbl h GLU 18 Ca -0.50 -0.05 0.15 0.00 0.08 0.00 0.00 59.36 59.04 1xbl h GLU 18 Cb 1.29 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1xbl h GLU 18 CO 0.55 0.53 0.10 -0.09 -2.18 0.00 0.00 179.01 177.92 1xbl h ARG 19 N 0.82 0.20 0.08 1.92 9.65 -1.92 0.68 114.38 125.81 1xbl h ARG 19 Ca 0.49 -0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 59.08 1xbl h ARG 19 Cb 0.67 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1xbl h ARG 19 CO -0.26 0.13 -1.16 1.49 2.80 0.00 0.00 179.97 182.97 1xbl h GLU 20 N 0.20 0.53 -0.81 0.20 4.81 -1.22 -3.24 114.58 115.06 1xbl h GLU 20 Ca 0.38 -0.68 0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1xbl h GLU 20 Cb 0.64 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 1xbl h GLU 20 CO -0.53 1.29 0.42 0.82 -0.73 0.00 0.00 179.01 180.28 1xbl h ILE 21 N 0.25 0.80 -0.53 2.32 1.08 0.13 0.76 117.51 122.32 1xbl h ILE 21 Ca -0.15 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1xbl h ILE 21 Cb 1.83 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 35.60 1xbl h ILE 21 CO 0.21 0.12 0.18 -0.09 -0.69 0.00 0.00 178.15 177.88 1xbl h ARG 22 N 0.66 0.34 0.32 2.37 9.65 -0.94 -0.19 114.38 126.58 1xbl h ARG 22 Ca 0.42 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.26 1xbl h ARG 22 Cb 0.50 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1xbl h ARG 22 CO -0.31 0.22 -0.15 0.87 2.80 0.00 0.00 179.97 183.40 1xbl h LYS 23 N 0.35 -0.41 -0.45 0.20 6.56 -1.08 -3.12 116.57 118.62 1xbl h LYS 23 Ca 0.26 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.95 1xbl h LYS 23 Cb 0.30 0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 31.99 1xbl h LYS 23 CO -0.28 -0.20 0.07 0.00 -2.06 0.00 0.00 179.45 176.98 1xbl h ALA 24 N 0.11 0.47 -0.50 3.86 0.00 -0.20 0.20 119.26 123.21 1xbl h ALA 24 Ca -0.04 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1xbl h ALA 24 Cb 0.40 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1xbl h ALA 24 CO 0.07 -0.33 0.11 -0.92 0.00 0.00 0.00 179.25 178.18 1xbl h TYR 25 N 0.19 0.18 -0.01 0.00 3.20 -1.11 -0.29 116.97 119.13 1xbl h TYR 25 Ca 0.22 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1xbl h TYR 25 Cb 0.29 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xbl h TYR 25 CO -0.23 0.01 0.00 0.87 -1.64 0.00 0.00 178.16 177.17 1xbl h LYS 26 N 0.25 0.01 -0.20 1.82 1.79 -0.96 0.65 116.57 119.94 1xbl h LYS 26 Ca 0.25 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.69 1xbl h LYS 26 Cb 0.33 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1xbl h LYS 26 CO -0.32 0.21 0.00 0.07 -1.08 0.00 0.00 179.45 178.34 1xbl h ARG 27 N -0.19 0.29 -0.28 3.15 -0.00 -0.59 0.12 114.38 116.87 1xbl h ARG 27 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.98 59.88 1xbl h ARG 27 Cb 0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.11 1xbl h ARG 27 CO -0.00 0.31 -0.06 -0.07 -0.00 0.00 0.00 179.97 180.15 1xbl h LEU 28 N 0.28 0.54 -1.06 0.08 4.07 -0.99 -3.27 115.31 114.97 1xbl h LEU 28 Ca 0.07 -0.36 0.14 0.00 0.08 0.00 0.00 57.88 57.80 1xbl h LEU 28 Cb 0.19 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 41.69 1xbl h LEU 28 CO 0.00 0.78 0.62 0.00 -1.08 0.00 0.00 178.44 178.76 1xbl h ALA 29 N 0.78 1.60 0.00 1.53 0.00 0.12 0.12 119.26 123.41 1xbl h ALA 29 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 29 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xbl h ALA 29 CO 0.03 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1xbl h MET 30 N 0.91 0.00 0.17 0.00 -0.00 -1.50 -3.36 114.93 111.15 1xbl h MET 30 Ca 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.19 1xbl h MET 30 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 1xbl h MET 30 CO -0.27 0.00 -0.08 -0.22 -0.00 0.00 0.00 176.91 176.34 1xbl h LYS 31 N 0.00 -0.22 -1.13 -0.10 3.64 -0.80 -3.14 116.57 114.81 1xbl h LYS 31 Ca 0.00 0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.09 1xbl h LYS 31 Cb 0.75 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.46 1xbl h LYS 31 CO 0.00 0.16 0.39 2.48 -2.27 0.00 0.00 179.45 180.21 1xbl n TYR 32 N -4.91 1.69 -0.79 1.91 0.18 -1.23 -5.00 117.16 109.01 1xbl n TYR 32 Ca -0.07 -1.48 -0.31 0.00 1.88 0.00 0.00 57.90 57.92 1xbl n TYR 32 Cb 0.24 -0.74 -0.04 0.00 -0.38 0.00 0.00 39.34 38.42 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1xbl n HIS 33 N -0.22 0.45 -0.23 -3.48 -0.00 -1.19 -4.81 115.22 105.73 1xbl n HIS 33 Ca 0.33 0.55 0.03 0.00 0.46 0.00 0.00 57.72 59.08 1xbl n HIS 33 Cb 0.98 -1.08 0.13 0.00 -0.12 0.00 0.00 29.99 29.90 1xbl n HIS 33 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xbl h PRO 34 N 1.74 0.10 0.00 1.57 0.13 -1.91 -3.45 132.00 130.17 1xbl h PRO 34 Ca -0.25 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xbl h PRO 34 Cb 0.72 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1xbl h PRO 34 CO 0.37 0.07 0.00 -3.47 -0.23 0.00 0.00 178.00 174.73 1xbl n ASP 35 N -5.32 0.00 0.00 1.44 -0.08 -1.26 -0.17 116.55 111.16 1xbl n ASP 35 Ca 0.11 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.31 1xbl n ASP 35 Cb 0.41 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.74 1xbl n ASP 35 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1xbl h ARG 36 N 0.00 0.00 -5.59 -0.67 0.11 -2.01 -3.49 114.38 102.73 1xbl h ARG 36 Ca 0.00 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.77 1xbl h ARG 36 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1xbl h ARG 36 CO 0.00 0.62 -0.84 -1.71 0.10 0.00 0.00 179.97 178.14 1xbl n ASN 37 N -3.12 -3.70 -2.88 0.08 2.85 0.76 -4.97 115.26 104.28 1xbl n ASN 37 Ca -0.12 -0.32 -0.08 0.00 -0.11 0.00 0.00 54.58 53.95 1xbl n ASN 37 Cb 1.02 -1.13 0.07 0.00 1.24 0.00 0.00 39.78 40.98 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xbl n GLN 38 N -0.77 -1.97 -0.05 1.20 0.00 -1.26 -4.82 117.38 109.70 1xbl n GLN 38 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 57.00 56.43 1xbl n GLN 38 Cb 0.49 -0.47 0.00 0.00 0.00 0.00 0.00 30.24 30.26 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xbl n GLY 39 N -0.16 1.56 3.60 2.61 0.00 -1.26 -4.80 105.19 106.74 1xbl n GLY 39 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1xbl n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xbl n ASP 40 N 0.77 0.32 -0.06 1.61 -0.08 -1.26 -4.96 116.55 112.88 1xbl n ASP 40 Ca 0.00 0.66 -0.05 0.00 -1.51 0.00 0.00 54.79 53.89 1xbl n ASP 40 Cb 0.37 -1.39 -0.10 0.00 2.34 0.00 0.00 41.12 42.34 1xbl n ASP 40 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1xbl n LYS 41 N -1.73 1.78 -0.14 -0.67 4.81 -1.26 -4.72 118.16 116.23 1xbl n LYS 41 Ca 0.13 -0.02 -0.08 0.00 -0.87 0.00 0.00 58.31 57.47 1xbl n LYS 41 Cb 0.49 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1xbl n LYS 41 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1xbl h GLU 42 N 0.00 0.58 -0.35 1.64 5.08 -1.98 -0.59 114.58 118.96 1xbl h GLU 42 Ca -0.30 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1xbl h GLU 42 Cb 1.65 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 1xbl h GLU 42 CO 0.02 0.42 0.07 0.00 -1.00 0.00 0.00 179.01 178.51 1xbl h ALA 43 N 1.13 0.37 0.28 3.43 0.00 -1.98 0.35 119.26 122.84 1xbl h ALA 43 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xbl h ALA 43 Cb -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xbl h ALA 43 CO -0.03 -0.34 -0.32 1.49 0.00 0.00 0.00 179.25 180.05 1xbl h GLU 44 N 0.18 -0.62 -0.43 0.00 4.81 -1.76 -0.19 114.58 116.58 1xbl h GLU 44 Ca 0.17 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1xbl h GLU 44 Cb 0.19 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1xbl h GLU 44 CO -0.22 -0.41 0.04 0.00 -0.73 0.00 0.00 179.01 177.69 1xbl h ALA 45 N -0.08 1.27 -0.27 2.92 0.00 -0.34 0.45 119.26 123.20 1xbl h ALA 45 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xbl h ALA 45 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xbl h ALA 45 CO -0.09 0.50 0.08 -0.22 0.00 0.00 0.00 179.25 179.52 1xbl h LYS 46 N 0.64 0.42 -0.63 0.00 3.64 -0.22 0.75 116.57 121.17 1xbl h LYS 46 Ca 0.14 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1xbl h LYS 46 Cb 0.34 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1xbl h LYS 46 CO 0.01 0.49 0.42 0.35 -2.27 0.00 0.00 179.45 178.45 1xbl h PHE 47 N 0.28 0.73 -0.19 1.91 3.57 0.72 -1.29 116.94 122.67 1xbl h PHE 47 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xbl h PHE 47 Cb 0.24 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1xbl h PHE 47 CO 0.00 0.43 0.06 0.87 -2.23 0.00 0.00 178.31 177.45 1xbl h LYS 48 N 0.76 0.29 -0.09 1.11 1.57 0.70 0.20 116.57 121.10 1xbl h LYS 48 Ca 0.25 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1xbl h LYS 48 Cb 0.05 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1xbl h LYS 48 CO -0.07 0.39 -0.12 0.93 -0.57 0.00 0.00 179.45 180.01 1xbl h GLU 49 N 0.14 -0.15 -0.70 3.15 5.08 -0.37 0.21 114.58 121.94 1xbl h GLU 49 Ca 0.06 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1xbl h GLU 49 Cb 0.21 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1xbl h GLU 49 CO -0.00 -0.10 0.14 0.82 -1.00 0.00 0.00 179.01 178.87 1xbl h ILE 50 N -0.16 1.26 0.09 3.13 2.04 -1.13 0.19 117.51 122.94 1xbl h ILE 50 Ca 0.07 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1xbl h ILE 50 Cb 0.26 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1xbl h ILE 50 CO -0.19 0.39 -0.04 0.50 0.00 0.00 0.00 178.15 178.81 1xbl h LYS 51 N 1.07 -0.12 -0.27 2.37 3.64 -0.14 -0.09 116.57 123.03 1xbl h LYS 51 Ca 0.22 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1xbl h LYS 51 Cb 0.41 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1xbl h LYS 51 CO 0.01 -0.07 -0.07 1.49 -2.27 0.00 0.00 179.45 178.54 1xbl h GLU 52 N -0.14 0.52 -0.49 1.90 4.81 -0.39 -0.49 114.58 120.30 1xbl h GLU 52 Ca -0.01 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1xbl h GLU 52 Cb 0.10 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.36 1xbl h GLU 52 CO 0.02 0.73 -0.39 0.00 -0.73 0.00 0.00 179.01 178.64 1xbl h ALA 53 N 0.77 -0.28 -0.71 2.92 0.00 -0.56 0.47 119.26 121.87 1xbl h ALA 53 Ca 0.07 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 53 Cb 0.54 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1xbl h ALA 53 CO 0.03 -0.79 0.43 -0.92 0.00 0.00 0.00 179.25 178.00 1xbl h TYR 54 N -0.25 0.80 -0.06 0.00 3.20 -0.64 0.59 116.97 120.60 1xbl h TYR 54 Ca 0.17 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1xbl h TYR 54 Cb 0.56 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1xbl h TYR 54 CO -0.63 0.43 -0.18 1.49 -1.64 0.00 0.00 178.16 177.62 1xbl h GLU 55 N 0.82 0.10 0.09 1.82 4.81 0.62 -3.12 114.58 119.72 1xbl h GLU 55 Ca 0.30 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1xbl h GLU 55 Cb 0.10 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xbl h GLU 55 CO -0.14 0.29 -0.60 0.28 -0.73 0.00 0.00 179.01 178.10 1xbl h VAL 56 N 0.10 1.56 -0.06 0.32 2.07 0.87 -3.40 116.25 117.70 1xbl h VAL 56 Ca 0.02 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.04 1xbl h VAL 56 Cb 0.38 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1xbl h VAL 56 CO 0.03 0.67 -0.07 0.18 0.02 0.00 0.00 177.57 178.40 1xbl n LEU 57 N -4.25 5.43 -0.04 2.57 4.77 0.10 -3.58 117.00 122.00 1xbl n LEU 57 Ca -0.12 -2.72 0.02 0.00 -0.03 0.00 0.00 56.01 53.16 1xbl n LEU 57 Cb 0.72 -1.20 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1xbl n LEU 57 CO 0.45 1.23 0.52 0.35 -1.33 0.00 0.00 177.39 178.61 1xbl n THR 58 N 1.67 1.18 -2.93 -5.08 -2.24 -1.26 -4.13 114.28 101.49 1xbl n THR 58 Ca 0.15 -1.25 -0.01 0.00 -2.27 0.00 0.00 64.05 60.66 1xbl n THR 58 Cb 0.62 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1xbl n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xbl n ASP 59 N -0.65 -7.40 0.00 3.42 2.03 -1.26 -4.92 116.55 107.78 1xbl n ASP 59 Ca 0.04 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.30 1xbl n ASP 59 Cb 0.34 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 1xbl n ASP 59 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xbl n SER 60 N 0.87 0.00 0.00 1.67 3.41 -1.20 -5.05 113.62 113.32 1xbl n SER 60 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xbl n SER 60 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xbl n GLN 61 N 0.00 0.00 -0.08 4.33 7.27 -1.26 -4.55 117.38 123.08 1xbl n GLN 61 Ca 0.00 0.01 -0.10 0.00 0.07 0.00 0.00 57.00 56.98 1xbl n GLN 61 Cb 0.00 -0.42 -0.03 0.00 2.41 0.00 0.00 30.24 32.21 1xbl n GLN 61 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1xbl h LYS 62 N 0.00 0.38 -3.50 3.69 1.57 -1.98 0.25 116.57 116.98 1xbl h LYS 62 Ca 0.00 -0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 58.01 1xbl h LYS 62 Cb 0.00 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 1xbl h LYS 62 CO 0.00 0.37 2.90 -2.13 -0.57 0.00 0.00 179.45 180.02 1xbl n ARG 63 N -4.81 3.43 0.00 3.15 0.00 -1.23 -0.68 116.66 116.52 1xbl n ARG 63 Ca -0.02 -2.87 0.00 0.00 -0.00 0.00 0.00 57.85 54.96 1xbl n ARG 63 Cb 0.10 -3.02 0.00 0.00 0.00 0.00 0.00 32.46 29.54 1xbl n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xbl n ALA 64 N 4.48 0.00 -0.13 5.13 0.00 -1.06 -3.28 120.51 125.65 1xbl n ALA 64 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 1xbl n ALA 64 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.82 1xbl n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 65 N 0.00 0.41 -0.29 0.00 0.00 -0.63 0.11 119.26 118.86 1xbl h ALA 65 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1xbl h ALA 65 Cb 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1xbl h ALA 65 CO 0.00 -0.36 -0.23 -0.92 0.00 0.00 0.00 179.25 177.74 1xbl h TYR 66 N 0.15 -0.60 -0.29 0.00 3.20 -1.14 0.13 116.97 118.42 1xbl h TYR 66 Ca 0.20 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1xbl h TYR 66 Cb 0.27 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1xbl h TYR 66 CO -0.24 -0.31 -0.03 0.22 -1.64 0.00 0.00 178.16 176.16 1xbl h ASP 67 N -0.21 0.52 0.26 -2.11 3.58 -1.64 0.70 116.42 117.52 1xbl h ASP 67 Ca 0.15 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1xbl h ASP 67 Cb 0.45 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1xbl h ASP 67 CO -0.41 0.73 -0.18 -0.61 -2.88 0.00 0.00 179.24 175.89 1xbl h GLN 68 N 0.30 -0.40 -0.73 0.28 4.15 -0.63 -3.43 115.11 114.64 1xbl h GLN 68 Ca 0.08 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1xbl h GLN 68 Cb 0.48 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 28.10 1xbl h GLN 68 CO 0.02 -0.27 -0.36 -0.47 -1.93 0.00 0.00 178.83 175.82 1xbl s TYR 69 N -4.04 -1.21 -0.17 3.99 6.14 0.40 -5.09 117.35 117.37 1xbl s TYR 69 Ca -0.07 -0.25 -0.39 0.00 0.64 0.00 0.00 57.07 57.00 1xbl s TYR 69 Cb 0.01 0.23 -0.16 0.00 0.42 0.00 0.00 41.96 42.46 1xbl s TYR 69 CO 0.21 -0.92 1.59 0.41 0.64 0.00 0.00 175.55 177.49 1xbl n GLY 70 N 3.19 0.68 2.22 8.97 0.00 0.24 -0.94 105.19 119.54 1xbl n GLY 70 Ca 0.14 0.86 -0.09 0.00 0.00 0.00 0.00 46.02 46.93 1xbl n GLY 70 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xbl n HIS 71 N 4.32 -0.18 -2.71 1.61 8.25 -1.26 -4.85 115.22 120.39 1xbl n HIS 71 Ca 0.24 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1xbl n HIS 71 Cb 0.14 -1.97 0.11 0.00 1.12 0.00 0.00 29.99 29.39 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xbl n ALA 72 N 0.02 0.56 -1.25 -1.41 0.00 -0.12 -4.99 120.51 113.32 1xbl n ALA 72 Ca -0.09 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1xbl n ALA 72 Cb 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl n ALA 73 N -0.25 1.43 -2.11 0.00 0.00 -1.10 -4.72 120.51 113.76 1xbl n ALA 73 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1xbl n ALA 73 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.24 1xbl n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xbl n PHE 74 N -0.43 2.76 0.10 0.00 3.01 -1.26 -4.41 117.46 117.22 1xbl n PHE 74 Ca 0.00 -2.82 0.05 0.00 1.01 0.00 0.00 57.45 55.68 1xbl n PHE 74 Cb 0.00 -1.94 0.08 0.00 -0.01 0.00 0.00 39.48 37.61 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xbl n GLU 75 N 2.93 1.66 0.00 -1.08 4.71 -1.26 -5.04 120.64 122.56 1xbl n GLU 75 Ca 0.52 -1.52 0.14 0.00 -0.01 0.00 0.00 57.16 56.29 1xbl n GLU 75 Cb 0.30 -1.20 0.47 0.00 -1.01 0.00 0.00 31.44 30.00 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16