#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 2.86 -0.76 0.00 2.20 -1.26 -4.84 119.74 117.94 1xbl s LYS 3 Ca 0.00 1.84 -0.28 0.00 -0.36 0.00 0.00 55.97 57.18 1xbl s LYS 3 Cb 0.00 -1.91 -0.15 0.00 -1.51 0.00 0.00 37.83 34.25 1xbl s LYS 3 CO 0.00 -1.30 2.55 1.04 -0.36 0.00 0.00 175.35 177.28 1xbl n GLN 4 N -1.73 0.49 -2.21 4.03 3.00 -1.26 -4.92 117.38 114.77 1xbl n GLN 4 Ca 0.14 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.84 1xbl n GLN 4 Cb 0.49 -2.44 0.06 0.00 0.00 0.00 0.00 30.24 28.36 1xbl n GLN 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1xbl s ASP 5 N 10.26 4.95 -0.68 1.08 -1.08 -1.26 -4.16 116.67 125.78 1xbl s ASP 5 Ca 1.17 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 1xbl s ASP 5 Cb -0.72 -1.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 1xbl s ASP 5 CO 0.38 -1.51 0.00 -1.22 0.52 0.00 0.00 175.17 173.33 1xbl n TYR 6 N -2.88 0.00 -0.04 -5.34 4.01 -1.26 -4.79 117.16 106.86 1xbl n TYR 6 Ca 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 1xbl n TYR 6 Cb 0.60 -1.91 -0.03 0.00 -0.31 0.00 0.00 39.34 37.69 1xbl n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xbl n TYR 7 N -2.43 0.00 0.25 -0.72 4.01 -1.26 -4.63 117.16 112.38 1xbl n TYR 7 Ca -0.06 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.79 1xbl n TYR 7 Cb 0.40 -0.31 0.62 0.00 -0.31 0.00 0.00 39.34 39.75 1xbl n TYR 7 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1xbl h GLU 8 N -0.30 0.00 0.42 -0.72 4.22 -1.77 0.85 114.58 117.27 1xbl h GLU 8 Ca -0.22 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 1xbl h GLU 8 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xbl h GLU 8 CO -0.13 0.17 -0.28 0.82 -2.18 0.00 0.00 179.01 177.41 1xbl h ILE 9 N 0.00 0.00 0.00 2.32 2.04 -1.93 -2.82 117.51 117.12 1xbl h ILE 9 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1xbl h ILE 9 Cb 0.50 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1xbl h ILE 9 CO 0.02 0.00 -0.17 0.17 0.00 0.00 0.00 178.15 178.17 1xbl h LEU 10 N -0.66 0.00 -0.26 1.44 -0.00 -1.80 -3.48 115.31 110.55 1xbl h LEU 10 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1xbl h LEU 10 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1xbl h LEU 10 CO 0.04 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.27 1xbl n GLY 11 N 0.48 0.34 3.42 0.17 0.00 0.23 -4.81 105.19 105.02 1xbl n GLY 11 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.07 0.00 0.43 1.61 0.11 -0.80 -4.76 120.40 116.92 1xbl s VAL 12 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1xbl s VAL 12 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1xbl s VAL 12 CO 0.00 0.00 1.09 -1.20 -3.33 0.00 0.00 175.10 171.66 1xbl n SER 13 N -0.36 1.65 -0.18 3.54 7.64 -1.26 -4.22 113.62 120.42 1xbl n SER 13 Ca -0.17 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 60.76 1xbl n SER 13 Cb 0.65 -1.40 0.08 0.00 -1.01 0.00 0.00 64.21 62.53 1xbl n SER 13 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1xbl h LYS 14 N 1.67 0.14 -0.73 1.43 1.57 -1.94 -0.69 116.57 118.01 1xbl h LYS 14 Ca -0.46 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.79 1xbl h LYS 14 Cb 1.33 -0.03 -0.37 0.00 0.08 0.00 0.00 32.23 33.23 1xbl h LYS 14 CO 0.58 0.09 -0.53 0.25 -0.57 0.00 0.00 179.45 179.26 1xbl n THR 15 N -5.23 2.67 -0.87 -0.16 -2.24 -1.26 -4.85 114.28 102.33 1xbl n THR 15 Ca 0.07 -3.92 -0.32 0.00 -2.27 0.00 0.00 64.05 57.61 1xbl n THR 15 Cb 0.31 -1.06 0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl s ALA 16 N -3.60 1.66 0.64 6.98 0.00 -0.27 -5.00 121.76 122.19 1xbl s ALA 16 Ca 0.52 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1xbl s ALA 16 Cb 0.42 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1xbl s ALA 16 CO 0.02 -2.52 1.07 -2.00 0.00 0.00 0.00 175.76 172.34 1xbl s GLU 17 N -4.56 3.02 0.41 0.00 2.12 -1.26 -4.87 118.70 113.55 1xbl s GLU 17 Ca 0.67 1.21 0.15 0.00 0.36 0.00 0.00 54.97 57.36 1xbl s GLU 17 Cb -0.23 -1.99 1.01 0.00 0.26 0.00 0.00 34.13 33.18 1xbl s GLU 17 CO 0.56 -1.06 1.89 1.49 -0.54 0.00 0.00 175.26 177.60 1xbl h GLU 18 N -0.01 0.46 0.00 4.30 4.22 -1.94 0.13 114.58 121.74 1xbl h GLU 18 Ca -0.46 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 58.91 1xbl h GLU 18 Cb 1.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1xbl h GLU 18 CO 0.56 0.30 -0.20 -0.09 -2.18 0.00 0.00 179.01 177.40 1xbl h ARG 19 N 0.47 0.00 0.04 1.92 9.65 -1.97 0.46 114.38 124.95 1xbl h ARG 19 Ca 0.42 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.99 1xbl h ARG 19 Cb 0.93 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 1xbl h ARG 19 CO -0.16 0.20 -1.74 1.49 2.80 0.00 0.00 179.97 182.56 1xbl h GLU 20 N 0.00 0.09 -0.90 0.20 4.81 -1.35 -3.30 114.58 114.14 1xbl h GLU 20 Ca -0.00 -0.15 0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1xbl h GLU 20 Cb 0.58 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1xbl h GLU 20 CO 0.03 0.74 0.52 0.82 -0.73 0.00 0.00 179.01 180.39 1xbl h ILE 21 N 0.02 0.84 -0.93 2.32 1.08 -0.42 -0.06 117.51 120.37 1xbl h ILE 21 Ca -0.31 -0.27 0.15 0.00 -0.39 0.00 0.00 64.86 64.04 1xbl h ILE 21 Cb 2.01 -0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 1xbl h ILE 21 CO 0.09 0.14 0.59 -0.09 -0.69 0.00 0.00 178.15 178.20 1xbl h ARG 22 N 0.79 0.72 0.24 2.37 9.65 -0.99 0.97 114.38 128.13 1xbl h ARG 22 Ca 0.46 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.29 1xbl h ARG 22 Cb 0.54 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1xbl h ARG 22 CO -0.30 0.48 -0.11 0.87 2.80 0.00 0.00 179.97 183.70 1xbl h LYS 23 N 0.74 -0.31 -0.36 0.20 1.79 -1.13 -1.36 116.57 116.15 1xbl h LYS 23 Ca 0.47 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 59.03 1xbl h LYS 23 Cb 0.72 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.39 1xbl h LYS 23 CO -0.24 0.04 0.02 0.00 -1.08 0.00 0.00 179.45 178.20 1xbl h ALA 24 N -0.12 0.35 -0.16 3.86 0.00 -0.85 -0.36 119.26 121.98 1xbl h ALA 24 Ca -0.03 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xbl h ALA 24 Cb 0.49 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1xbl h ALA 24 CO 0.05 -0.38 -0.16 -0.92 0.00 0.00 0.00 179.25 177.84 1xbl h TYR 25 N 0.13 -0.42 -1.01 0.00 3.20 -0.86 0.67 116.97 118.68 1xbl h TYR 25 Ca 0.18 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1xbl h TYR 25 Cb 0.23 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 1xbl h TYR 25 CO -0.23 -0.24 0.64 1.57 -1.64 0.00 0.00 178.16 178.27 1xbl h LYS 26 N -0.19 1.09 0.71 1.82 5.09 -0.28 0.16 116.57 124.96 1xbl h LYS 26 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 60.65 60.75 1xbl h LYS 26 Cb 0.35 -0.25 0.01 0.00 0.10 0.00 0.00 32.23 32.44 1xbl h LYS 26 CO -0.27 0.72 -0.34 -0.09 -2.09 0.00 0.00 179.45 177.38 1xbl h ARG 27 N 1.12 -0.91 -0.39 0.07 2.43 -0.02 -3.22 114.38 113.46 1xbl h ARG 27 Ca 0.45 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.65 1xbl h ARG 27 Cb 0.27 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1xbl h ARG 27 CO -0.20 -0.60 0.06 -0.07 -1.51 0.00 0.00 179.97 177.65 1xbl h LEU 28 N -1.22 0.54 -1.82 3.80 3.38 -0.72 -0.93 115.31 118.34 1xbl h LEU 28 Ca -0.10 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xbl h LEU 28 Cb 0.74 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1xbl h LEU 28 CO 0.16 0.56 0.33 0.00 0.09 0.00 0.00 178.44 179.59 1xbl h ALA 29 N 1.51 2.18 0.13 1.53 0.00 -0.71 0.16 119.26 124.06 1xbl h ALA 29 Ca 0.13 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1xbl h ALA 29 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xbl h ALA 29 CO 0.00 -0.30 -1.80 0.00 0.00 0.00 0.00 179.25 177.15 1xbl h MET 30 N 0.21 0.27 -0.90 0.00 -0.00 -1.46 -2.68 114.93 110.36 1xbl h MET 30 Ca 0.23 -0.46 0.11 0.00 -0.00 0.00 0.00 59.70 59.58 1xbl h MET 30 Cb 0.62 0.17 -0.08 0.00 -0.00 0.00 0.00 31.60 32.31 1xbl h MET 30 CO -0.04 1.22 0.54 -0.22 -0.00 0.00 0.00 176.91 178.41 1xbl h LYS 31 N -0.07 0.84 -1.54 -0.10 3.64 -0.15 -3.07 116.57 116.11 1xbl h LYS 31 Ca -0.39 -0.05 -0.45 0.00 -1.27 0.00 0.00 60.65 58.49 1xbl h LYS 31 Cb 1.95 -0.19 -0.40 0.00 -0.41 0.00 0.00 32.23 33.17 1xbl h LYS 31 CO 0.08 0.55 -1.09 0.66 -2.27 0.00 0.00 179.45 177.39 1xbl n TYR 32 N -4.70 1.39 -1.75 1.91 4.01 0.46 -5.07 117.16 113.41 1xbl n TYR 32 Ca 0.16 -3.31 -0.42 0.00 -0.16 0.00 0.00 57.90 54.17 1xbl n TYR 32 Cb 0.32 -0.37 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1xbl n HIS 33 N -0.01 2.83 -1.48 -0.72 -0.00 -1.01 -4.81 115.22 110.02 1xbl n HIS 33 Ca 0.21 0.35 -0.42 0.00 -0.00 0.00 0.00 57.72 57.86 1xbl n HIS 33 Cb 0.70 -2.56 -0.02 0.00 -0.00 0.00 0.00 29.99 28.11 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1xbl n PRO 34 N 1.44 2.45 0.00 1.57 -0.04 -1.26 -4.85 135.00 134.31 1xbl n PRO 34 Ca 0.06 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1xbl n PRO 34 Cb 0.37 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 6.32 0.00 -3.22 3.54 8.00 -1.26 -4.72 116.55 125.20 1xbl n ASP 35 Ca 0.53 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.75 1xbl n ASP 35 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.00 2.64 -0.14 -1.24 1.85 -1.26 -4.51 116.66 114.01 1xbl n ARG 36 Ca 0.00 -1.72 0.11 0.00 -1.00 0.00 0.00 57.85 55.25 1xbl n ARG 36 Cb 0.00 -2.57 0.26 0.00 -1.05 0.00 0.00 32.46 29.09 1xbl n ARG 36 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1xbl n ASN 37 N 4.01 2.83 -3.00 2.89 0.23 -1.26 -4.89 115.26 116.06 1xbl n ASN 37 Ca 0.56 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.58 52.60 1xbl n ASN 37 Cb 0.17 -0.18 0.10 0.00 -2.08 0.00 0.00 39.78 37.79 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xbl n GLN 38 N 1.10 -2.55 0.00 -3.83 -0.00 -1.26 -3.58 117.38 107.26 1xbl n GLN 38 Ca 0.18 -0.59 0.00 0.00 -0.00 0.00 0.00 57.00 56.59 1xbl n GLN 38 Cb 0.52 -0.67 0.00 0.00 -0.00 0.00 0.00 30.24 30.09 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 -1.34 1.98 0.00 2.61 0.00 -1.26 -4.49 105.19 102.69 1xbl n GLY 39 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.92 0.00 0.00 1.61 -0.08 -1.26 -4.98 116.55 115.76 1xbl n ASP 40 Ca 0.00 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1xbl n ASP 40 Cb 0.00 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.03 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 -1.80 0.00 -0.35 -0.67 0.00 -1.23 -4.92 118.16 109.18 1xbl n LYS 41 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 1xbl n LYS 41 Cb 0.00 -0.05 0.31 0.00 0.00 0.00 0.00 35.03 35.30 1xbl n LYS 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1xbl h GLU 42 N 0.86 0.77 -0.86 1.64 4.11 -1.94 0.64 114.58 119.80 1xbl h GLU 42 Ca 0.00 -0.05 0.13 0.00 0.07 0.00 0.00 59.36 59.51 1xbl h GLU 42 Cb 0.00 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 28.99 1xbl h GLU 42 CO 0.00 0.51 0.48 0.00 0.07 0.00 0.00 179.01 180.07 1xbl h ALA 43 N 1.62 1.28 0.27 1.06 0.00 -1.91 0.22 119.26 121.81 1xbl h ALA 43 Ca 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1xbl h ALA 43 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xbl h ALA 43 CO -0.35 0.01 -0.13 1.49 0.00 0.00 0.00 179.25 180.27 1xbl h GLU 44 N 0.72 -0.35 -0.73 0.00 4.81 -1.15 0.63 114.58 118.51 1xbl h GLU 44 Ca 0.45 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1xbl h GLU 44 Cb 0.55 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1xbl h GLU 44 CO -0.31 -0.20 0.39 0.00 -0.73 0.00 0.00 179.01 178.16 1xbl h ALA 45 N 0.31 1.31 -0.33 2.92 0.00 -1.03 0.43 119.26 122.88 1xbl h ALA 45 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xbl h ALA 45 Cb 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xbl h ALA 45 CO 0.06 0.55 0.18 -0.22 0.00 0.00 0.00 179.25 179.83 1xbl h LYS 46 N 1.02 0.46 -0.51 0.00 3.64 -0.50 0.32 116.57 120.99 1xbl h LYS 46 Ca 0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1xbl h LYS 46 Cb 0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1xbl h LYS 46 CO -0.04 0.38 0.34 0.35 -2.27 0.00 0.00 179.45 178.20 1xbl h PHE 47 N 0.41 0.59 -0.14 1.91 3.57 0.10 -2.45 116.94 120.93 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 0.05 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1xbl h PHE 47 CO -0.03 0.36 0.03 0.87 -2.23 0.00 0.00 178.31 177.31 1xbl h LYS 48 N 0.62 0.22 -0.52 1.11 1.57 0.97 0.61 116.57 121.16 1xbl h LYS 48 Ca 0.20 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1xbl h LYS 48 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1xbl h LYS 48 CO -0.05 0.38 0.22 1.05 -0.57 0.00 0.00 179.45 180.48 1xbl h GLU 49 N 0.02 0.76 0.12 3.15 4.11 -0.65 0.33 114.58 122.42 1xbl h GLU 49 Ca 0.04 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1xbl h GLU 49 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xbl h GLU 49 CO 0.00 0.66 -0.06 0.82 0.07 0.00 0.00 179.01 180.50 1xbl h ILE 50 N 0.69 0.95 -0.68 -1.06 2.04 -1.43 -1.64 117.51 116.39 1xbl h ILE 50 Ca 0.17 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1xbl h ILE 50 Cb 0.17 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1xbl h ILE 50 CO -0.02 0.06 0.45 0.50 0.00 0.00 0.00 178.15 179.14 1xbl h LYS 51 N -0.27 0.76 -0.25 2.37 3.64 -0.51 -0.74 116.57 121.57 1xbl h LYS 51 Ca -0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1xbl h LYS 51 Cb 0.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1xbl h LYS 51 CO 0.03 0.50 0.01 1.49 -2.27 0.00 0.00 179.45 179.21 1xbl h GLU 52 N 0.78 0.44 -0.43 1.90 4.81 0.09 0.48 114.58 122.65 1xbl h GLU 52 Ca 0.28 -0.13 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1xbl h GLU 52 Cb 0.12 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1xbl h GLU 52 CO -0.08 0.60 -0.10 0.00 -0.73 0.00 0.00 179.01 178.70 1xbl h ALA 53 N 0.82 0.30 0.00 2.92 0.00 -0.77 0.16 119.26 122.69 1xbl h ALA 53 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xbl h ALA 53 Cb 0.39 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xbl h ALA 53 CO 0.01 -0.44 0.00 0.98 0.00 0.00 0.00 179.25 179.80 1xbl n TYR 54 N -5.31 0.00 -0.10 0.00 9.36 -0.33 -0.83 117.16 119.95 1xbl n TYR 54 Ca 0.03 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.09 1xbl n TYR 54 Cb 0.23 -0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 38.61 1xbl n TYR 54 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1xbl n GLU 55 N -1.26 0.53 0.38 2.98 2.13 0.16 -4.34 120.64 121.21 1xbl n GLU 55 Ca 0.08 0.38 -0.15 0.00 0.66 0.00 0.00 57.16 58.14 1xbl n GLU 55 Cb 0.13 -1.58 -0.07 0.00 0.27 0.00 0.00 31.44 30.18 1xbl n GLU 55 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1xbl h VAL 56 N -1.00 0.00 0.00 6.31 2.07 -0.48 -2.90 116.25 120.25 1xbl h VAL 56 Ca -0.26 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xbl h VAL 56 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1xbl h VAL 56 CO -0.16 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.36 1xbl h LEU 57 N -1.14 0.00 -3.72 2.57 3.38 -1.19 -2.73 115.31 112.48 1xbl h LEU 57 Ca -0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 1xbl h LEU 57 Cb 0.75 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 1xbl h LEU 57 CO 0.16 0.00 0.28 0.35 0.09 0.00 0.00 178.44 179.33 1xbl n THR 58 N -2.41 2.83 -2.10 0.22 -2.24 -1.10 -4.77 114.28 104.72 1xbl n THR 58 Ca 0.01 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 1xbl n THR 58 Cb 0.18 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.82 -7.84 0.00 3.42 2.03 -1.05 -5.00 116.55 108.94 1xbl n ASP 59 Ca 0.32 1.45 0.00 0.00 0.52 0.00 0.00 54.79 57.08 1xbl n ASP 59 Cb 0.59 -4.65 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 1xbl n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xbl n SER 60 N 1.91 0.00 0.06 1.67 7.64 -1.12 -4.85 113.62 118.93 1xbl n SER 60 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xbl n SER 60 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xbl n SER 60 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1xbl n GLN 61 N 0.00 0.00 -0.36 1.43 7.27 -1.26 -4.73 117.38 119.73 1xbl n GLN 61 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 57.00 57.34 1xbl n GLN 61 Cb 0.00 -0.13 0.55 0.00 2.41 0.00 0.00 30.24 33.08 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 0.28 -1.75 3.69 1.57 -1.98 -1.66 116.57 116.72 1xbl h LYS 62 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xbl h LYS 62 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1xbl h LYS 62 CO 0.00 0.19 0.00 -2.13 -0.57 0.00 0.00 179.45 176.94 1xbl n ARG 63 N -4.66 0.29 0.00 3.15 0.00 -1.26 -1.10 116.66 113.08 1xbl n ARG 63 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1xbl n ARG 63 Cb 1.06 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 32.16 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 1.01 0.00 0.06 5.13 0.00 -0.71 -4.81 120.51 121.20 1xbl n ALA 64 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xbl n ALA 64 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.33 -0.72 0.00 0.00 -1.26 0.18 119.26 117.14 1xbl h ALA 65 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xbl h ALA 65 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xbl h ALA 65 CO 0.00 -0.74 0.26 -0.92 0.00 0.00 0.00 179.25 177.84 1xbl h TYR 66 N -0.38 1.11 -0.61 0.00 3.20 -1.36 0.10 116.97 119.03 1xbl h TYR 66 Ca 0.06 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1xbl h TYR 66 Cb 0.46 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1xbl h TYR 66 CO -0.28 0.86 0.36 -0.44 -1.64 0.00 0.00 178.16 177.02 1xbl h ASP 67 N 1.05 0.58 0.25 -2.11 5.19 -1.64 0.35 116.42 120.10 1xbl h ASP 67 Ca 0.24 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1xbl h ASP 67 Cb 0.24 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1xbl h ASP 67 CO -0.01 0.40 -0.12 -0.61 -3.12 0.00 0.00 179.24 175.77 1xbl h GLN 68 N 0.71 -0.33 -0.59 3.56 -0.00 -0.04 -3.40 115.11 115.01 1xbl h GLN 68 Ca 0.25 0.02 -0.37 0.00 -0.00 0.00 0.00 58.65 58.55 1xbl h GLN 68 Cb 0.06 0.07 -0.41 0.00 0.00 0.00 0.00 27.48 27.20 1xbl h GLN 68 CO -0.12 -0.22 -1.00 2.48 0.00 0.00 0.00 178.83 179.97 1xbl n TYR 69 N -3.74 1.88 -1.67 3.99 0.18 0.28 -5.03 117.16 113.05 1xbl n TYR 69 Ca -0.04 -2.21 -0.44 0.00 1.88 0.00 0.00 57.90 57.09 1xbl n TYR 69 Cb 0.13 -0.27 -0.02 0.00 -0.38 0.00 0.00 39.34 38.80 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xbl n GLY 70 N -0.62 0.51 3.39 -7.48 0.00 0.12 -1.55 105.19 99.56 1xbl n GLY 70 Ca 0.22 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 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 0.98 -1.69 -2.69 1.61 1.44 -1.26 -4.78 115.22 108.83 1xbl n HIS 71 Ca 0.09 0.41 -0.04 0.00 -2.01 0.00 0.00 57.72 56.16 1xbl n HIS 71 Cb 0.33 -2.39 0.12 0.00 0.12 0.00 0.00 29.99 28.17 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xbl n ALA 72 N -3.38 2.34 0.07 1.59 0.00 -0.60 -4.83 120.51 115.70 1xbl n ALA 72 Ca 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1xbl n ALA 72 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.09 1.56 -2.10 0.00 0.00 -1.20 -4.82 120.51 112.87 1xbl n ALA 73 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1xbl n ALA 73 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.86 2.99 -1.82 0.00 7.35 -1.26 -4.31 117.46 117.54 1xbl n PHE 74 Ca 0.00 -2.85 0.00 0.00 -0.76 0.00 0.00 57.45 53.84 1xbl n PHE 74 Cb 0.00 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1xbl n PHE 74 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1xbl n GLU 75 N 4.10 0.00 0.00 -4.13 -0.58 -1.26 -5.04 120.64 113.73 1xbl n GLU 75 Ca 0.47 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1xbl n GLU 75 Cb 0.35 -0.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1xbl n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65