#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 2.49 0.12 0.00 0.00 -1.26 -4.84 119.74 116.25 1xbl s LYS 3 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 55.97 56.88 1xbl s LYS 3 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 37.83 35.81 1xbl s LYS 3 CO 0.00 -1.47 1.85 -1.14 0.00 0.00 0.00 175.35 174.59 1xbl s GLN 4 N -4.65 4.13 -0.40 1.78 -0.44 -1.26 -4.93 119.66 113.89 1xbl s GLN 4 Ca 0.63 2.61 0.07 0.00 -2.50 0.00 0.00 55.36 56.17 1xbl s GLN 4 Cb -0.18 -3.66 0.18 0.00 -1.64 0.00 0.00 33.01 27.71 1xbl s GLN 4 CO 0.51 -0.86 0.59 0.34 0.50 0.00 0.00 175.29 176.37 1xbl s ASP 5 N 2.92 -1.08 -1.58 6.67 2.15 -1.26 -4.93 116.67 119.56 1xbl s ASP 5 Ca 0.82 -0.91 -0.00 0.00 0.43 0.00 0.00 52.55 52.89 1xbl s ASP 5 Cb -0.46 1.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.89 1xbl s ASP 5 CO 0.37 -0.19 0.03 -1.22 -0.17 0.00 0.00 175.17 173.99 1xbl n TYR 6 N 4.40 -1.16 -0.07 -5.34 4.02 -1.26 -4.87 117.16 112.88 1xbl n TYR 6 Ca 0.11 0.02 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1xbl n TYR 6 Cb 0.55 -3.66 -0.04 0.00 -0.02 0.00 0.00 39.34 36.17 1xbl n TYR 6 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xbl n TYR 7 N -3.86 0.00 0.25 -0.72 4.02 -1.26 -4.50 117.16 111.09 1xbl n TYR 7 Ca -0.21 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1xbl n TYR 7 Cb 0.66 -0.50 0.68 0.00 -0.02 0.00 0.00 39.34 40.16 1xbl n TYR 7 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1xbl h GLU 8 N -0.70 0.00 -0.97 -0.72 4.57 -1.89 0.29 114.58 115.15 1xbl h GLU 8 Ca -0.21 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.19 1xbl h GLU 8 Cb 1.02 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.49 1xbl h GLU 8 CO -0.13 0.12 0.55 0.82 -1.18 0.00 0.00 179.01 179.19 1xbl h ILE 9 N 0.00 0.58 0.00 2.32 2.04 -1.97 -0.62 117.51 119.86 1xbl h ILE 9 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xbl h ILE 9 Cb 0.27 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1xbl h ILE 9 CO 0.02 0.11 -1.18 0.18 0.00 0.00 0.00 178.15 177.27 1xbl n LEU 10 N -4.88 0.58 -2.04 1.44 4.77 0.69 -4.88 117.00 112.67 1xbl n LEU 10 Ca 0.25 0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1xbl n LEU 10 Cb 0.67 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1xbl n LEU 10 CO 0.17 -0.04 0.10 0.61 -1.33 0.00 0.00 177.39 176.91 1xbl n GLY 11 N 1.29 -0.69 3.27 -0.72 0.00 0.59 -4.65 105.19 104.28 1xbl n GLY 11 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.73 0.10 0.33 1.61 0.11 -1.24 -4.89 120.40 113.68 1xbl s VAL 12 Ca 0.02 -1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 57.33 1xbl s VAL 12 Cb -0.00 -1.75 -0.12 0.00 -1.53 0.00 0.00 36.38 32.97 1xbl s VAL 12 CO 0.27 -0.43 1.43 -0.24 -3.33 0.00 0.00 175.10 172.80 1xbl n SER 13 N -0.15 3.29 0.00 3.54 2.88 -1.26 -4.71 113.62 117.21 1xbl n SER 13 Ca -0.09 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.68 1xbl n SER 13 Cb 0.63 -1.54 0.19 0.00 -0.75 0.00 0.00 64.21 62.74 1xbl n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xbl n LYS 14 N 1.10 0.04 -2.11 -1.46 4.01 -1.26 -0.43 118.16 118.05 1xbl n LYS 14 Ca 0.06 0.30 -0.24 0.00 -0.51 0.00 0.00 58.31 57.92 1xbl n LYS 14 Cb 0.36 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.40 1xbl n LYS 14 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1xbl n THR 15 N -1.43 2.47 -1.67 -0.18 -2.24 -1.26 0.76 114.28 110.74 1xbl n THR 15 Ca 0.03 -4.31 -0.46 0.00 -2.27 0.00 0.00 64.05 57.04 1xbl n THR 15 Cb 0.09 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 67.17 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl n ALA 16 N -0.67 1.42 -1.57 6.98 0.00 0.43 -4.99 120.51 122.11 1xbl n ALA 16 Ca 0.42 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.95 1xbl n ALA 16 Cb 0.92 -2.38 0.05 0.00 0.00 0.00 0.00 19.45 18.03 1xbl n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xbl s GLU 17 N 1.28 2.79 0.52 0.00 -6.30 -1.26 -4.86 118.70 110.87 1xbl s GLU 17 Ca 0.80 1.58 0.20 0.00 -2.50 0.00 0.00 54.97 55.06 1xbl s GLU 17 Cb -0.67 -1.93 1.33 0.00 0.00 0.00 0.00 34.13 32.86 1xbl s GLU 17 CO 0.39 -1.29 2.07 0.93 0.02 0.00 0.00 175.26 177.37 1xbl h GLU 18 N 0.32 0.01 -0.81 4.30 5.08 -1.94 0.23 114.58 121.77 1xbl h GLU 18 Ca -0.48 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1xbl h GLU 18 Cb 1.27 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1xbl h GLU 18 CO 0.54 0.01 0.40 -0.09 -1.00 0.00 0.00 179.01 178.86 1xbl h ARG 19 N 0.01 0.57 0.03 2.33 9.65 -1.99 0.98 114.38 125.96 1xbl h ARG 19 Ca 0.13 -0.03 -0.26 0.00 -1.10 0.00 0.00 59.98 58.72 1xbl h ARG 19 Cb 0.51 -0.13 0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1xbl h ARG 19 CO -0.00 0.37 -1.06 1.49 2.80 0.00 0.00 179.97 183.57 1xbl h GLU 20 N 0.58 0.57 -0.84 0.20 4.81 -0.97 -2.94 114.58 115.99 1xbl h GLU 20 Ca 0.44 -0.65 0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1xbl h GLU 20 Cb 0.61 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.10 1xbl h GLU 20 CO -0.36 1.26 0.46 0.82 -0.73 0.00 0.00 179.01 180.46 1xbl h ILE 21 N 0.30 0.82 -0.36 2.32 1.08 -0.32 0.22 117.51 121.58 1xbl h ILE 21 Ca -0.12 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1xbl h ILE 21 Cb 1.71 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 1xbl h ILE 21 CO 0.20 0.13 0.01 -0.09 -0.69 0.00 0.00 178.15 177.71 1xbl h ARG 22 N 0.72 0.11 -0.33 2.37 2.43 -0.76 0.10 114.38 119.02 1xbl h ARG 22 Ca 0.43 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1xbl h ARG 22 Cb 0.51 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1xbl h ARG 22 CO -0.30 0.07 0.12 0.87 -1.51 0.00 0.00 179.97 179.22 1xbl h LYS 23 N 0.12 0.26 -0.20 0.20 1.79 -0.86 -1.75 116.57 116.13 1xbl h LYS 23 Ca 0.18 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1xbl h LYS 23 Cb 0.24 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1xbl h LYS 23 CO -0.29 0.17 0.02 0.00 -1.08 0.00 0.00 179.45 178.27 1xbl h ALA 24 N 1.21 0.18 -0.22 3.86 0.00 0.93 0.19 119.26 125.41 1xbl h ALA 24 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xbl h ALA 24 Cb 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1xbl h ALA 24 CO -0.15 -0.42 -0.13 -0.92 0.00 0.00 0.00 179.25 177.64 1xbl h TYR 25 N 0.09 -0.33 -0.04 0.00 3.20 -0.82 -1.09 116.97 117.98 1xbl h TYR 25 Ca 0.09 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1xbl h TYR 25 Cb 0.10 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1xbl h TYR 25 CO -0.16 -0.20 0.02 1.57 -1.64 0.00 0.00 178.16 177.75 1xbl h LYS 26 N -0.12 0.05 -0.37 1.82 2.10 -0.35 -0.28 116.57 119.42 1xbl h LYS 26 Ca 0.12 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.80 1xbl h LYS 26 Cb 0.30 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.59 1xbl h LYS 26 CO -0.29 0.15 0.15 0.07 -2.00 0.00 0.00 179.45 177.53 1xbl h ARG 27 N -0.06 0.30 -0.02 0.07 0.11 -0.52 -0.51 114.38 113.75 1xbl h ARG 27 Ca 0.01 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.10 1xbl h ARG 27 Cb 0.12 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 1xbl h ARG 27 CO -0.00 0.20 -0.16 -0.07 0.10 0.00 0.00 179.97 180.04 1xbl h LEU 28 N 0.31 -0.47 -1.75 0.08 -0.00 -1.01 -0.06 115.31 112.43 1xbl h LEU 28 Ca 0.17 0.07 0.14 0.00 -0.00 0.00 0.00 57.88 58.26 1xbl h LEU 28 Cb 0.13 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1xbl h LEU 28 CO -0.16 -0.22 0.43 0.00 -0.00 0.00 0.00 178.44 178.50 1xbl h ALA 29 N 0.70 2.23 -0.31 1.53 0.00 -0.14 0.34 119.26 123.62 1xbl h ALA 29 Ca 0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1xbl h ALA 29 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xbl h ALA 29 CO -0.17 -0.40 -0.51 0.52 0.00 0.00 0.00 179.25 178.69 1xbl h MET 30 N 0.26 0.88 -0.07 0.00 2.86 -0.52 -2.96 114.93 115.39 1xbl h MET 30 Ca 0.30 -0.54 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1xbl h MET 30 Cb 0.83 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1xbl h MET 30 CO -0.07 1.18 0.05 -0.22 1.06 0.00 0.00 176.91 178.91 1xbl h LYS 31 N 0.68 0.00 -0.66 1.72 1.63 0.16 -0.43 116.57 119.67 1xbl h LYS 31 Ca 0.02 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.45 1xbl h LYS 31 Cb 1.12 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.34 1xbl h LYS 31 CO 0.12 0.00 -1.00 2.48 -3.45 0.00 0.00 179.45 177.60 1xbl n TYR 32 N -4.32 1.89 -1.62 1.91 0.18 -1.19 -5.10 117.16 108.91 1xbl n TYR 32 Ca -0.01 -2.29 -0.43 0.00 1.88 0.00 0.00 57.90 57.05 1xbl n TYR 32 Cb 0.16 -0.27 -0.00 0.00 -0.38 0.00 0.00 39.34 38.84 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 -0.58 1.44 -1.56 -3.48 -0.00 -0.17 -4.73 115.22 106.13 1xbl n HIS 33 Ca 0.22 0.61 -0.38 0.00 0.46 0.00 0.00 57.72 58.63 1xbl n HIS 33 Cb 0.85 -2.27 -0.06 0.00 -0.12 0.00 0.00 29.99 28.39 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1xbl n PRO 34 N 0.43 1.62 -1.89 1.57 -0.04 -1.26 -4.80 135.00 130.63 1xbl n PRO 34 Ca 0.08 -2.15 -0.41 0.00 -0.04 0.00 0.00 63.50 60.99 1xbl n PRO 34 Cb 0.36 -3.26 -0.02 0.00 -0.04 0.00 0.00 33.50 30.55 1xbl n PRO 34 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xbl n ASP 35 N 10.15 3.83 -4.05 3.54 8.00 -1.26 -4.16 116.55 132.61 1xbl n ASP 35 Ca 0.48 -2.82 -0.29 0.00 0.71 0.00 0.00 54.79 52.87 1xbl n ASP 35 Cb 0.43 -1.59 -0.08 0.00 -0.02 0.00 0.00 41.12 39.86 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1xbl n ARG 36 N 7.14 -0.89 -1.13 -1.24 -4.01 -1.26 -4.81 116.66 110.46 1xbl n ARG 36 Ca 0.50 0.09 -0.24 0.00 -1.04 0.00 0.00 57.85 57.16 1xbl n ARG 36 Cb 0.42 -3.30 -0.10 0.00 -3.04 0.00 0.00 32.46 26.44 1xbl n ARG 36 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1xbl n ASN 37 N -2.26 6.79 -4.78 2.89 5.15 -1.26 -4.92 115.26 116.87 1xbl n ASN 37 Ca -0.17 -2.51 -0.29 0.00 -0.60 0.00 0.00 54.58 51.02 1xbl n ASN 37 Cb 0.53 -1.46 0.13 0.00 -0.53 0.00 0.00 39.78 38.45 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xbl s GLN 38 N 1.59 1.19 0.00 1.20 -2.07 -1.26 -4.05 119.66 116.26 1xbl s GLN 38 Ca 0.67 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.48 1xbl s GLN 38 Cb 0.25 -1.85 0.00 0.00 -1.09 0.00 0.00 33.01 30.32 1xbl s GLN 38 CO -0.03 -2.16 0.00 0.41 -1.32 0.00 0.00 175.29 172.19 1xbl n GLY 39 N -2.31 0.97 3.45 2.60 0.00 -1.26 -4.96 105.19 103.69 1xbl n GLY 39 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 1.94 -1.64 0.00 1.61 -0.08 -1.26 -4.97 116.55 112.16 1xbl n ASP 40 Ca 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1xbl n ASP 40 Cb 0.00 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.22 1xbl n ASP 40 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1xbl n LYS 41 N -2.32 0.00 -0.29 -0.67 5.02 -1.26 -4.93 118.16 113.70 1xbl n LYS 41 Ca 0.07 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.46 1xbl n LYS 41 Cb 0.54 -0.18 0.24 0.00 -0.02 0.00 0.00 35.03 35.61 1xbl n LYS 41 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1xbl h GLU 42 N 0.00 0.15 -0.72 1.97 4.11 -1.98 0.14 114.58 118.25 1xbl h GLU 42 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.49 1xbl h GLU 42 Cb 0.00 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1xbl h GLU 42 CO 0.00 0.10 0.40 0.00 0.07 0.00 0.00 179.01 179.57 1xbl h ALA 43 N 1.78 0.98 -0.13 1.06 0.00 -1.98 0.23 119.26 121.20 1xbl h ALA 43 Ca 0.51 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 1xbl h ALA 43 Cb 0.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xbl h ALA 43 CO -0.69 0.06 -0.28 1.49 0.00 0.00 0.00 179.25 179.83 1xbl h GLU 44 N 0.71 0.41 -0.38 0.00 4.81 -1.21 0.08 114.58 119.00 1xbl h GLU 44 Ca 0.33 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1xbl h GLU 44 Cb 0.24 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xbl h GLU 44 CO -0.21 0.88 0.26 0.00 -0.73 0.00 0.00 179.01 179.21 1xbl h ALA 45 N 0.53 1.91 -0.12 2.92 0.00 -0.34 0.41 119.26 124.57 1xbl h ALA 45 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xbl h ALA 45 Cb 0.88 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xbl h ALA 45 CO 0.06 0.04 -0.12 -0.22 0.00 0.00 0.00 179.25 179.01 1xbl h LYS 46 N 0.36 0.28 -1.03 0.00 1.63 -0.49 -2.66 116.57 114.66 1xbl h LYS 46 Ca 0.16 -0.15 0.29 0.00 -0.85 0.00 0.00 60.65 60.09 1xbl h LYS 46 Cb 0.19 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 31.70 1xbl h LYS 46 CO -0.04 0.69 0.62 0.35 -3.45 0.00 0.00 179.45 177.62 1xbl h PHE 47 N -0.11 0.89 -0.74 1.91 3.04 0.12 -0.96 116.94 121.09 1xbl h PHE 47 Ca 0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1xbl h PHE 47 Cb 0.64 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 1xbl h PHE 47 CO 0.09 -0.03 0.39 0.87 -2.02 0.00 0.00 178.31 177.61 1xbl h LYS 48 N 0.44 1.03 0.11 1.11 1.57 0.06 0.27 116.57 121.16 1xbl h LYS 48 Ca 0.68 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1xbl h LYS 48 Cb 1.50 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xbl h LYS 48 CO -0.48 0.78 -0.06 0.93 -0.57 0.00 0.00 179.45 180.05 1xbl h GLU 49 N 1.02 -0.15 -0.66 3.15 5.08 -1.12 0.50 114.58 122.40 1xbl h GLU 49 Ca 0.26 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1xbl h GLU 49 Cb 0.06 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1xbl h GLU 49 CO -0.04 -0.09 0.27 0.82 -1.00 0.00 0.00 179.01 178.97 1xbl h ILE 50 N -0.17 1.23 0.16 3.13 2.04 -0.72 0.70 117.51 123.88 1xbl h ILE 50 Ca -0.02 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1xbl h ILE 50 Cb 0.13 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1xbl h ILE 50 CO 0.03 0.28 -0.08 0.50 0.00 0.00 0.00 178.15 178.88 1xbl h LYS 51 N 0.95 -0.20 -0.14 2.37 3.11 -0.39 -2.24 116.57 120.02 1xbl h LYS 51 Ca 0.22 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.12 1xbl h LYS 51 Cb 0.17 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.40 1xbl h LYS 51 CO -0.02 0.02 -0.16 1.49 -2.81 0.00 0.00 179.45 177.97 1xbl h GLU 52 N -0.40 -0.18 -0.11 1.90 4.81 -0.07 0.11 114.58 120.63 1xbl h GLU 52 Ca -0.02 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1xbl h GLU 52 Cb 0.31 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1xbl h GLU 52 CO 0.04 -0.12 -0.28 0.00 -0.73 0.00 0.00 179.01 177.92 1xbl h ALA 53 N 0.87 -0.30 -0.51 2.92 0.00 -0.92 0.17 119.26 121.49 1xbl h ALA 53 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 53 Cb 0.33 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1xbl h ALA 53 CO -0.25 -0.75 0.14 -0.92 0.00 0.00 0.00 179.25 177.47 1xbl h TYR 54 N -0.36 0.24 -0.61 0.00 5.03 -0.75 0.11 116.97 120.63 1xbl h TYR 54 Ca 0.09 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.36 1xbl h TYR 54 Cb 0.50 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1xbl h TYR 54 CO -0.36 0.04 0.11 1.49 -1.32 0.00 0.00 178.16 178.11 1xbl h GLU 55 N 0.29 1.01 -0.19 1.82 4.81 -0.08 -2.72 114.58 119.52 1xbl h GLU 55 Ca 0.26 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1xbl h GLU 55 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1xbl h GLU 55 CO -0.30 0.94 -0.03 0.28 -0.73 0.00 0.00 179.01 179.17 1xbl h VAL 56 N 0.92 1.28 0.00 0.32 2.07 -0.31 -3.44 116.25 117.09 1xbl h VAL 56 Ca 0.19 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1xbl h VAL 56 Cb 0.42 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1xbl h VAL 56 CO 0.01 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.08 1xbl n LEU 57 N -4.66 0.00 -3.25 2.57 4.77 0.36 -4.52 117.00 112.27 1xbl n LEU 57 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 1xbl n LEU 57 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1xbl n LEU 57 CO 0.37 0.00 -0.06 0.35 -1.33 0.00 0.00 177.39 176.73 1xbl n THR 58 N 0.00 -0.02 -2.97 -5.08 -2.24 -1.18 -4.82 114.28 97.96 1xbl n THR 58 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1xbl n THR 58 Cb 0.00 -0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.86 -0.09 0.00 3.42 2.03 -1.26 -5.01 116.55 113.78 1xbl n ASP 59 Ca 0.04 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.23 1xbl n ASP 59 Cb 0.48 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.21 0.00 0.00 1.67 3.41 -1.26 -3.76 113.62 113.89 1xbl n SER 60 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1xbl n SER 60 Cb 0.70 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.22 4.33 7.27 -1.26 -4.77 117.38 120.73 1xbl n GLN 61 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1xbl n GLN 61 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 1xbl n GLN 61 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1xbl n LYS 62 N -1.23 -2.11 0.14 3.69 5.02 -1.25 -4.13 118.16 118.29 1xbl n LYS 62 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xbl n LYS 62 Cb 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.82 1xbl n LYS 62 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1xbl n ARG 63 N -1.99 0.00 0.20 1.97 3.00 -1.26 -4.61 116.66 113.97 1xbl n ARG 63 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1xbl n ARG 63 Cb 0.35 0.00 0.68 0.00 0.00 0.00 0.00 32.46 33.49 1xbl n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xbl h ALA 64 N 0.00 2.08 0.40 5.13 0.00 -1.93 -2.70 119.26 122.24 1xbl h ALA 64 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xbl h ALA 64 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xbl h ALA 64 CO 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 179.25 178.68 1xbl h ALA 65 N 1.92 -0.86 -0.50 0.00 0.00 -1.87 0.10 119.26 118.05 1xbl h ALA 65 Ca 0.07 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xbl h ALA 65 Cb 0.27 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1xbl h ALA 65 CO -0.00 -1.02 0.01 -0.92 0.00 0.00 0.00 179.25 177.32 1xbl h TYR 66 N -0.81 -0.01 0.39 0.00 5.03 -1.81 0.17 116.97 119.93 1xbl h TYR 66 Ca -0.03 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1xbl h TYR 66 Cb 0.72 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.07 1xbl h TYR 66 CO -0.21 -0.10 -0.32 0.22 -1.32 0.00 0.00 178.16 176.42 1xbl h ASP 67 N 0.13 -0.85 -0.05 -2.11 3.58 -1.23 0.39 116.42 116.27 1xbl h ASP 67 Ca 0.25 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1xbl h ASP 67 Cb 0.38 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1xbl h ASP 67 CO -0.41 -0.47 -0.00 -0.61 -2.88 0.00 0.00 179.24 174.86 1xbl h GLN 68 N -0.72 0.09 0.00 0.28 4.15 -0.51 -2.83 115.11 115.58 1xbl h GLN 68 Ca -0.03 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1xbl h GLN 68 Cb 0.63 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1xbl h GLN 68 CO -0.02 0.39 -0.49 1.88 -1.93 0.00 0.00 178.83 178.66 1xbl h TYR 69 N -0.22 0.00 -1.23 3.99 0.05 -0.74 -3.50 116.97 115.32 1xbl h TYR 69 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xbl h TYR 69 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1xbl h TYR 69 CO 0.04 0.49 -0.31 0.41 -1.05 0.00 0.00 178.16 177.74 1xbl n GLY 70 N 0.40 -3.43 4.27 3.88 0.00 0.13 -4.63 105.19 105.81 1xbl n GLY 70 Ca -0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1xbl n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xbl n HIS 71 N -1.25 -1.38 -2.04 1.61 -0.00 -1.20 -0.97 115.22 109.99 1xbl n HIS 71 Ca 0.00 0.68 -0.02 0.00 -0.00 0.00 0.00 57.72 58.37 1xbl n HIS 71 Cb 0.05 -2.86 -0.00 0.00 -0.00 0.00 0.00 29.99 27.18 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xbl n ALA 72 N -4.43 -0.71 -0.90 1.59 0.00 -1.26 0.64 120.51 115.44 1xbl n ALA 72 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xbl n ALA 72 Cb 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.85 0.00 -0.00 0.00 0.00 -0.14 -3.89 120.51 114.63 1xbl n ALA 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xbl n ALA 73 Cb 0.35 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1xbl n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbl n PHE 74 N -1.81 0.00 1.41 0.00 -0.00 0.14 -4.96 117.46 112.24 1xbl n PHE 74 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 1xbl n PHE 74 Cb 0.45 0.00 0.57 0.00 -0.00 0.00 0.00 39.48 40.50 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xbl n GLU 75 N 0.00 0.70 -0.04 -4.13 -0.58 0.21 -5.13 120.64 111.67 1xbl n GLU 75 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xbl n GLU 75 Cb 0.00 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59