#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl n LYS 3 N 0.00 2.25 -2.44 0.00 4.01 -1.26 -2.97 118.16 117.75 1xbl n LYS 3 Ca 0.00 0.81 -0.42 0.00 -0.51 0.00 0.00 58.31 58.20 1xbl n LYS 3 Cb 0.00 -2.61 -0.03 0.00 -0.51 0.00 0.00 35.03 31.89 1xbl n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1xbl s GLN 4 N 1.43 3.36 0.70 1.97 0.74 -0.79 -4.97 119.66 122.11 1xbl s GLN 4 Ca 0.80 0.40 -0.13 0.00 0.05 0.00 0.00 55.36 56.48 1xbl s GLN 4 Cb -0.65 -4.09 0.02 0.00 1.10 0.00 0.00 33.01 29.38 1xbl s GLN 4 CO 0.39 -1.86 1.09 0.34 -0.55 0.00 0.00 175.29 174.69 1xbl s ASP 5 N 4.00 4.99 0.00 6.67 -1.08 -1.26 -4.88 116.67 125.11 1xbl s ASP 5 Ca 0.50 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 54.37 1xbl s ASP 5 Cb -0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1xbl s ASP 5 CO 0.25 -1.71 0.00 0.00 0.52 0.00 0.00 175.17 174.23 1xbl n TYR 6 N -2.92 0.00 -0.27 -5.34 0.18 -1.26 -4.85 117.16 102.69 1xbl n TYR 6 Ca 0.09 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.84 1xbl n TYR 6 Cb 0.53 0.00 0.12 0.00 -0.38 0.00 0.00 39.34 39.61 1xbl n TYR 6 CO 0.00 0.00 0.00 0.10 -2.08 0.00 0.00 176.86 174.88 1xbl h TYR 7 N 0.00 1.12 0.00 -3.48 -0.00 -1.87 -2.44 116.97 110.30 1xbl h TYR 7 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.73 58.50 1xbl h TYR 7 Cb 0.00 -0.35 -0.02 0.00 -0.00 0.00 0.00 36.73 36.36 1xbl h TYR 7 CO 0.00 0.81 -0.83 1.49 -0.00 0.00 0.00 178.16 179.63 1xbl h GLU 8 N 1.12 0.08 -0.01 0.10 4.57 -1.92 0.29 114.58 118.81 1xbl h GLU 8 Ca 0.27 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1xbl h GLU 8 Cb 0.11 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1xbl h GLU 8 CO -0.03 0.86 -0.16 0.82 -1.18 0.00 0.00 179.01 179.31 1xbl h ILE 9 N 0.04 0.60 0.00 2.32 2.04 -1.77 -0.58 117.51 120.16 1xbl h ILE 9 Ca -0.02 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 1xbl h ILE 9 Cb 1.45 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1xbl h ILE 9 CO 0.12 0.00 -0.75 -0.07 0.00 0.00 0.00 178.15 177.45 1xbl h LEU 10 N -0.26 0.00 -2.99 1.44 3.38 -1.56 -3.48 115.31 111.84 1xbl h LEU 10 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xbl h LEU 10 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xbl h LEU 10 CO -0.16 0.75 -0.01 0.61 0.09 0.00 0.00 178.44 179.72 1xbl n GLY 11 N 0.88 0.00 3.57 0.83 0.00 0.81 -5.01 105.19 106.28 1xbl n GLY 11 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 0.00 0.57 1.61 0.11 0.00 -4.99 120.40 114.70 1xbl s VAL 12 Ca 0.00 -1.44 -0.20 0.00 -2.93 0.00 0.00 61.98 57.41 1xbl s VAL 12 Cb -0.00 -2.28 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 1xbl s VAL 12 CO 0.02 0.00 1.19 -0.24 -3.33 0.00 0.00 175.10 172.74 1xbl n SER 13 N -0.51 1.86 -0.34 3.54 2.88 -1.26 -4.53 113.62 115.26 1xbl n SER 13 Ca -0.01 0.90 0.03 0.00 -1.33 0.00 0.00 58.87 58.46 1xbl n SER 13 Cb 0.62 -1.49 0.18 0.00 -0.75 0.00 0.00 64.21 62.76 1xbl n SER 13 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xbl h LYS 14 N 1.00 1.01 -1.20 -1.46 1.57 -2.01 -0.39 116.57 115.09 1xbl h LYS 14 Ca -0.49 -0.06 -0.47 0.00 -1.87 0.00 0.00 60.65 57.76 1xbl h LYS 14 Cb 1.33 -0.23 -0.41 0.00 0.08 0.00 0.00 32.23 33.00 1xbl h LYS 14 CO 0.54 0.67 -0.97 0.25 -0.57 0.00 0.00 179.45 179.37 1xbl n THR 15 N -4.59 1.70 -1.49 -0.16 -2.24 -1.26 -4.72 114.28 101.53 1xbl n THR 15 Ca 0.15 -3.96 -0.43 0.00 -2.27 0.00 0.00 64.05 57.54 1xbl n THR 15 Cb 0.23 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.30 -1.27 -1.42 6.98 0.00 -0.16 -4.97 120.51 119.36 1xbl n ALA 16 Ca 0.24 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 1xbl n ALA 16 Cb 0.75 -1.83 0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.52 2.42 0.51 0.00 2.12 -1.26 -4.84 118.70 116.14 1xbl s GLU 17 Ca 0.62 1.61 0.25 0.00 0.36 0.00 0.00 54.97 57.81 1xbl s GLU 17 Cb -0.67 -1.88 1.36 0.00 0.26 0.00 0.00 34.13 33.19 1xbl s GLU 17 CO 0.58 -1.59 1.96 1.49 -0.54 0.00 0.00 175.26 177.16 1xbl h GLU 18 N -0.14 0.07 -0.36 4.30 4.81 -1.83 -0.85 114.58 120.58 1xbl h GLU 18 Ca -0.47 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.82 1xbl h GLU 18 Cb 1.28 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1xbl h GLU 18 CO 0.51 0.05 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.70 1xbl h ARG 19 N 0.07 0.03 0.02 1.92 2.43 -1.91 0.25 114.38 117.20 1xbl h ARG 19 Ca 0.32 -0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.27 1xbl h ARG 19 Cb 1.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1xbl h ARG 19 CO -0.03 0.02 -0.96 1.49 -1.51 0.00 0.00 179.97 178.99 1xbl h GLU 20 N 0.04 0.26 -0.94 0.20 4.81 -1.54 -2.58 114.58 114.82 1xbl h GLU 20 Ca 0.17 -0.31 0.14 0.00 -0.13 0.00 0.00 59.36 59.24 1xbl h GLU 20 Cb 0.26 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1xbl h GLU 20 CO -0.34 1.04 0.60 0.82 -0.73 0.00 0.00 179.01 180.40 1xbl h ILE 21 N 0.13 0.85 -0.63 2.32 1.08 -0.98 0.81 117.51 121.09 1xbl h ILE 21 Ca -0.07 -0.27 -0.07 0.00 -0.39 0.00 0.00 64.86 64.06 1xbl h ILE 21 Cb 1.61 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1xbl h ILE 21 CO 0.15 0.15 0.12 -0.09 -0.69 0.00 0.00 178.15 177.79 1xbl h ARG 22 N 0.80 1.02 -0.04 2.37 9.65 -0.12 0.11 114.38 128.17 1xbl h ARG 22 Ca 0.48 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1xbl h ARG 22 Cb 0.67 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1xbl h ARG 22 CO -0.24 0.94 0.02 0.87 2.80 0.00 0.00 179.97 184.36 1xbl h LYS 23 N 0.94 0.06 -0.17 0.20 6.56 -0.98 -1.27 116.57 121.91 1xbl h LYS 23 Ca 0.19 -0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.82 1xbl h LYS 23 Cb 0.40 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 1xbl h LYS 23 CO 0.01 0.15 -0.14 0.00 -2.06 0.00 0.00 179.45 177.41 1xbl h ALA 24 N 0.90 -0.01 -0.05 3.86 0.00 -0.41 0.18 119.26 123.73 1xbl h ALA 24 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xbl h ALA 24 Cb 0.11 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1xbl h ALA 24 CO -0.00 -0.57 -0.24 -0.92 0.00 0.00 0.00 179.25 177.51 1xbl h TYR 25 N -0.15 -0.65 -0.69 0.00 3.20 -0.73 0.75 116.97 118.70 1xbl h TYR 25 Ca 0.10 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1xbl h TYR 25 Cb 0.30 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1xbl h TYR 25 CO -0.27 -0.33 0.39 1.57 -1.64 0.00 0.00 178.16 177.88 1xbl h LYS 26 N -0.35 0.69 0.43 1.82 2.10 -0.94 -0.70 116.57 119.63 1xbl h LYS 26 Ca 0.08 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1xbl h LYS 26 Cb 0.46 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1xbl h LYS 26 CO -0.25 0.46 -0.25 -0.09 -2.00 0.00 0.00 179.45 177.31 1xbl h ARG 27 N 0.72 -0.62 -0.34 0.07 9.65 0.19 -2.32 114.38 121.72 1xbl h ARG 27 Ca 0.31 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.29 1xbl h ARG 27 Cb 0.19 0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 1xbl h ARG 27 CO -0.18 -0.41 0.05 -0.07 2.80 0.00 0.00 179.97 182.15 1xbl h LEU 28 N -0.64 -0.04 -0.07 3.80 4.07 -0.70 0.32 115.31 122.05 1xbl h LEU 28 Ca -0.06 0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1xbl h LEU 28 Cb 0.51 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 1xbl h LEU 28 CO 0.07 0.02 -0.23 0.00 -1.08 0.00 0.00 178.44 177.21 1xbl h ALA 29 N 1.27 -0.25 0.00 1.53 0.00 -1.15 0.23 119.26 120.89 1xbl h ALA 29 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xbl h ALA 29 Cb 0.20 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xbl h ALA 29 CO -0.23 -0.71 0.00 0.52 0.00 0.00 0.00 179.25 178.83 1xbl h MET 30 N -0.33 0.00 0.17 0.00 2.86 -0.93 -2.50 114.93 114.20 1xbl h MET 30 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1xbl h MET 30 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1xbl h MET 30 CO -0.25 0.00 -0.08 -0.22 1.06 0.00 0.00 176.91 177.42 1xbl h LYS 31 N 0.00 -0.22 -0.89 1.72 3.11 0.17 -2.95 116.57 117.52 1xbl h LYS 31 Ca 0.00 0.01 -0.59 0.00 -2.81 0.00 0.00 60.65 57.27 1xbl h LYS 31 Cb 0.64 0.05 -0.30 0.00 -1.00 0.00 0.00 32.23 31.62 1xbl h LYS 31 CO 0.00 -0.02 0.42 2.48 -2.81 0.00 0.00 179.45 179.52 1xbl n TYR 32 N -5.12 2.93 -1.41 1.91 4.11 -1.00 -5.03 117.16 113.55 1xbl n TYR 32 Ca -0.09 -2.59 -0.62 0.00 -0.00 0.00 0.00 57.90 54.61 1xbl n TYR 32 Cb 0.17 -1.08 -0.11 0.00 -0.00 0.00 0.00 39.34 38.32 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1xbl n HIS 33 N -0.93 1.38 -1.35 -3.48 -0.00 -0.94 -4.75 115.22 105.15 1xbl n HIS 33 Ca 0.56 0.84 -0.38 0.00 0.46 0.00 0.00 57.72 59.20 1xbl n HIS 33 Cb 0.89 -2.29 -0.02 0.00 -0.12 0.00 0.00 29.99 28.45 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 6.52 3.28 0.00 1.57 -0.04 -1.26 -4.84 135.00 140.22 1xbl n PRO 34 Ca 0.47 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1xbl n PRO 34 Cb -0.03 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1xbl n PRO 34 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xbl n ASP 35 N 4.37 0.00 -2.47 3.54 2.03 -1.26 -1.09 116.55 121.67 1xbl n ASP 35 Ca 0.68 0.59 -0.20 0.00 0.52 0.00 0.00 54.79 56.39 1xbl n ASP 35 Cb 0.26 -0.26 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1xbl n ARG 36 N -2.23 2.78 -1.09 -0.67 1.85 -1.26 -4.94 116.66 111.10 1xbl n ARG 36 Ca 0.00 -4.06 -0.16 0.00 -1.00 0.00 0.00 57.85 52.63 1xbl n ARG 36 Cb 0.00 -1.96 -0.15 0.00 -1.05 0.00 0.00 32.46 29.30 1xbl n ARG 36 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1xbl n ASN 37 N -0.44 5.62 -3.89 2.89 4.13 -0.25 -4.82 115.26 118.50 1xbl n ASN 37 Ca 0.30 -2.59 -0.40 0.00 1.68 0.00 0.00 54.58 53.58 1xbl n ASN 37 Cb 0.77 -1.40 -0.05 0.00 -1.54 0.00 0.00 39.78 37.55 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xbl n GLN 38 N 2.33 1.63 0.00 3.52 10.64 -1.26 -1.47 117.38 132.78 1xbl n GLN 38 Ca 0.46 -2.07 0.00 0.00 -1.83 0.00 0.00 57.00 53.56 1xbl n GLN 38 Cb 0.83 -3.15 0.00 0.00 -0.86 0.00 0.00 30.24 27.06 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xbl n GLY 39 N 4.85 0.04 3.58 2.61 0.00 -1.26 -5.11 105.19 109.90 1xbl n GLY 39 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 1xbl n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbl s ASP 40 N 0.00 5.91 0.00 1.61 -1.08 -0.54 -4.82 116.67 117.75 1xbl s ASP 40 Ca 0.00 0.58 0.23 0.00 -0.52 0.00 0.00 52.55 52.84 1xbl s ASP 40 Cb 0.00 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 39.13 1xbl s ASP 40 CO 0.00 -1.83 1.20 1.17 0.52 0.00 0.00 175.17 176.23 1xbl n LYS 41 N 8.66 0.01 -0.03 4.34 0.00 -1.26 -3.28 118.16 126.61 1xbl n LYS 41 Ca 0.17 -0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.32 1xbl n LYS 41 Cb 0.49 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.89 1xbl n LYS 41 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1xbl h GLU 42 N 0.00 0.12 -0.79 1.64 4.81 -1.98 -0.28 114.58 118.11 1xbl h GLU 42 Ca 0.00 -0.19 0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1xbl h GLU 42 Cb 0.51 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.85 1xbl h GLU 42 CO 0.00 1.04 0.29 0.00 -0.73 0.00 0.00 179.01 179.61 1xbl h ALA 43 N 0.09 1.13 -0.13 2.92 0.00 -1.98 0.17 119.26 121.47 1xbl h ALA 43 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 43 Cb 1.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1xbl h ALA 43 CO 0.05 -0.28 0.08 1.49 0.00 0.00 0.00 179.25 180.60 1xbl h GLU 44 N 0.39 0.17 -0.66 0.00 4.57 -1.53 0.85 114.58 118.36 1xbl h GLU 44 Ca 0.45 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.71 1xbl h GLU 44 Cb 0.76 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 1xbl h GLU 44 CO -0.47 0.13 0.30 0.00 -1.18 0.00 0.00 179.01 177.79 1xbl h ALA 45 N 1.03 0.89 -0.28 2.92 0.00 0.83 0.34 119.26 124.99 1xbl h ALA 45 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xbl h ALA 45 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xbl h ALA 45 CO -0.01 -0.11 0.11 -0.22 0.00 0.00 0.00 179.25 179.03 1xbl h LYS 46 N 0.52 0.24 -0.63 0.00 3.64 -0.38 0.16 116.57 120.12 1xbl h LYS 46 Ca 0.33 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1xbl h LYS 46 Cb 0.36 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1xbl h LYS 46 CO -0.28 0.16 0.42 0.35 -2.27 0.00 0.00 179.45 177.83 1xbl h PHE 47 N 0.25 0.42 0.29 1.91 3.57 0.11 -0.75 116.94 122.74 1xbl h PHE 47 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1xbl h PHE 47 Cb 0.07 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1xbl h PHE 47 CO -0.12 0.19 -0.14 0.87 -2.23 0.00 0.00 178.31 176.88 1xbl h LYS 48 N 0.39 -0.38 -0.27 1.11 1.57 0.25 0.38 116.57 119.62 1xbl h LYS 48 Ca 0.29 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1xbl h LYS 48 Cb 0.63 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1xbl h LYS 48 CO -0.08 -0.07 0.06 0.93 -0.57 0.00 0.00 179.45 179.72 1xbl h GLU 49 N -0.71 0.16 -0.30 3.15 5.08 -1.18 0.12 114.58 120.89 1xbl h GLU 49 Ca -0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xbl h GLU 49 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1xbl h GLU 49 CO 0.07 0.10 0.17 0.82 -1.00 0.00 0.00 179.01 179.17 1xbl h ILE 50 N 0.16 1.02 -0.38 3.13 2.04 -1.08 -0.08 117.51 122.33 1xbl h ILE 50 Ca 0.12 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1xbl h ILE 50 Cb 0.12 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1xbl h ILE 50 CO -0.16 0.06 0.15 0.50 0.00 0.00 0.00 178.15 178.71 1xbl h LYS 51 N 0.35 0.31 0.82 2.37 1.63 0.10 0.25 116.57 122.40 1xbl h LYS 51 Ca 0.12 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1xbl h LYS 51 Cb 0.01 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1xbl h LYS 51 CO -0.06 0.20 -0.40 1.49 -3.45 0.00 0.00 179.45 177.23 1xbl h GLU 52 N 0.32 -1.07 -0.73 1.90 4.81 -0.16 0.18 114.58 119.83 1xbl h GLU 52 Ca 0.17 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.60 1xbl h GLU 52 Cb 0.13 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 1xbl h GLU 52 CO -0.16 -0.71 0.31 0.00 -0.73 0.00 0.00 179.01 177.72 1xbl h ALA 53 N -1.46 1.02 -0.65 2.92 0.00 -0.99 0.25 119.26 120.34 1xbl h ALA 53 Ca -0.11 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1xbl h ALA 53 Cb 0.86 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1xbl h ALA 53 CO 0.18 -0.16 0.28 -0.92 0.00 0.00 0.00 179.25 178.63 1xbl h TYR 54 N 0.49 0.50 0.02 0.00 5.03 -0.29 -1.18 116.97 121.55 1xbl h TYR 54 Ca 0.39 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 61.48 1xbl h TYR 54 Cb 0.53 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 1xbl h TYR 54 CO -0.15 0.16 -1.30 1.49 -1.32 0.00 0.00 178.16 177.04 1xbl h GLU 55 N 0.49 0.04 0.64 1.82 4.57 0.15 -3.27 114.58 119.03 1xbl h GLU 55 Ca 0.33 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1xbl h GLU 55 Cb 0.38 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1xbl h GLU 55 CO -0.29 0.86 -0.31 0.28 -1.18 0.00 0.00 179.01 178.38 1xbl h VAL 56 N 0.01 0.28 0.00 0.32 2.07 -0.36 -3.36 116.25 115.21 1xbl h VAL 56 Ca -0.13 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1xbl h VAL 56 Cb 1.89 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1xbl h VAL 56 CO 0.12 0.03 -0.04 0.18 0.02 0.00 0.00 177.57 177.88 1xbl n LEU 57 N -5.40 4.23 -0.14 2.57 4.77 -0.47 -4.00 117.00 118.56 1xbl n LEU 57 Ca -0.12 -2.05 0.01 0.00 -0.03 0.00 0.00 56.01 53.82 1xbl n LEU 57 Cb 0.36 -0.94 0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1xbl n LEU 57 CO 0.34 0.89 0.44 0.35 -1.33 0.00 0.00 177.39 178.07 1xbl n THR 58 N 1.79 0.59 -2.58 -5.08 -2.24 -1.26 -3.67 114.28 101.84 1xbl n THR 58 Ca 0.06 -0.80 -0.03 0.00 -2.27 0.00 0.00 64.05 61.02 1xbl n THR 58 Cb 0.46 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.08 -3.88 0.00 3.42 2.03 -1.26 -4.68 116.55 112.10 1xbl n ASP 59 Ca 0.02 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.71 1xbl n ASP 59 Cb 0.20 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.39 1xbl n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xbl n SER 60 N 1.94 0.00 0.00 1.67 2.88 -1.26 -4.93 113.62 113.92 1xbl n SER 60 Ca -0.21 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1xbl n SER 60 Cb 0.32 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1xbl n GLN 61 N 0.00 0.00 0.00 -1.46 7.27 -1.26 -4.31 117.38 117.62 1xbl n GLN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1xbl n GLN 61 Cb 0.00 -0.09 0.00 0.00 2.41 0.00 0.00 30.24 32.56 1xbl n GLN 61 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1xbl n LYS 62 N -2.51 0.69 0.00 3.69 0.00 -1.26 -0.48 118.16 118.29 1xbl n LYS 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xbl n LYS 62 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.70 1xbl n LYS 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1xbl n ARG 63 N 0.20 0.00 -0.25 -1.58 0.00 -1.26 -4.54 116.66 109.23 1xbl n ARG 63 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1xbl n ARG 63 Cb 0.19 -0.30 0.39 0.00 0.00 0.00 0.00 32.46 32.74 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 1.84 -0.65 5.13 0.00 -1.61 0.33 119.26 124.31 1xbl h ALA 64 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xbl h ALA 64 Cb 0.42 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1xbl h ALA 64 CO 0.00 -0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.55 1xbl h ALA 65 N 1.60 0.85 0.32 0.00 0.00 -1.07 1.00 119.26 121.97 1xbl h ALA 65 Ca 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1xbl h ALA 65 Cb 0.67 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xbl h ALA 65 CO -0.18 0.06 -0.15 -0.92 0.00 0.00 0.00 179.25 178.06 1xbl h TYR 66 N 0.69 -0.40 -0.81 0.00 5.03 -0.71 0.16 116.97 120.93 1xbl h TYR 66 Ca 0.28 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.75 1xbl h TYR 66 Cb 0.13 0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.44 1xbl h TYR 66 CO -0.07 -0.19 0.33 -0.44 -1.32 0.00 0.00 178.16 176.46 1xbl h ASP 67 N -0.51 0.28 0.00 -2.11 3.32 -0.60 0.28 116.42 117.08 1xbl h ASP 67 Ca -0.04 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xbl h ASP 67 Cb 0.38 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xbl h ASP 67 CO 0.07 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 1xbl n GLN 68 N -5.02 0.00 -3.08 3.56 1.13 0.32 -4.72 117.38 109.56 1xbl n GLN 68 Ca 0.17 0.36 -0.20 0.00 -1.94 0.00 0.00 57.00 55.39 1xbl n GLN 68 Cb 0.50 -1.15 -0.04 0.00 0.11 0.00 0.00 30.24 29.66 1xbl n GLN 68 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1xbl n TYR 69 N -1.57 -1.06 -1.32 1.08 4.02 0.52 -5.04 117.16 113.79 1xbl n TYR 69 Ca 0.00 -3.14 -0.41 0.00 -0.01 0.00 0.00 57.90 54.34 1xbl n TYR 69 Cb 0.00 0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 39.37 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xbl n GLY 70 N 1.42 2.35 0.11 2.72 0.00 0.95 -2.09 105.19 110.65 1xbl n GLY 70 Ca 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 8.56 -0.14 -1.30 1.61 -0.00 -1.26 -4.96 115.22 117.73 1xbl n HIS 71 Ca 0.49 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 58.00 1xbl n HIS 71 Cb 0.41 0.03 -0.10 0.00 -0.00 0.00 0.00 29.99 30.33 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 -1.15 6.40 -0.92 1.59 0.00 -0.89 -3.87 120.51 121.68 1xbl n ALA 72 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1xbl n ALA 72 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 1.47 0.91 0.84 0.00 0.00 -1.14 -4.92 120.51 117.67 1xbl n ALA 73 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1xbl n ALA 73 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1xbl n ALA 73 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1xbl n PHE 74 N -1.12 0.00 1.36 0.00 -1.74 -1.26 -4.26 117.46 110.44 1xbl n PHE 74 Ca 0.00 -0.08 0.01 0.00 -0.56 0.00 0.00 57.45 56.82 1xbl n PHE 74 Cb 0.00 -0.11 0.03 0.00 1.52 0.00 0.00 39.48 40.92 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1xbl n GLU 75 N 0.17 1.24 0.00 3.97 1.02 -1.25 -1.88 120.64 123.91 1xbl n GLU 75 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1xbl n GLU 75 Cb 0.25 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25