#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 3.39 0.60 0.00 0.00 -1.26 -4.97 119.74 117.50 1xbl s LYS 3 Ca 0.00 2.35 -0.18 0.00 0.00 0.00 0.00 55.97 58.14 1xbl s LYS 3 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 37.83 35.35 1xbl s LYS 3 CO 0.00 -1.03 1.18 -1.14 0.00 0.00 0.00 175.35 174.35 1xbl s GLN 4 N -2.69 3.00 0.13 1.78 2.00 -1.26 -5.04 119.66 117.59 1xbl s GLN 4 Ca 0.67 1.72 0.07 0.00 -2.00 0.00 0.00 55.36 55.81 1xbl s GLN 4 Cb -0.43 -1.95 -0.04 0.00 0.80 0.00 0.00 33.01 31.40 1xbl s GLN 4 CO 0.53 -1.15 -0.05 0.34 -0.50 0.00 0.00 175.29 174.45 1xbl s ASP 5 N -1.78 4.61 0.00 6.67 2.15 -1.26 -3.92 116.67 123.14 1xbl s ASP 5 Ca 0.75 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1xbl s ASP 5 Cb -0.27 -0.95 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 1xbl s ASP 5 CO 0.33 0.14 0.00 -1.22 -0.17 0.00 0.00 175.17 174.25 1xbl n TYR 6 N 0.38 0.00 -0.22 -5.34 4.01 -1.26 -4.46 117.16 110.26 1xbl n TYR 6 Ca -0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.60 1xbl n TYR 6 Cb 0.53 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.00 0.66 0.00 -0.72 0.05 -1.91 -2.74 116.97 112.31 1xbl h TYR 7 Ca 0.00 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 1xbl h TYR 7 Cb 0.00 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1xbl h TYR 7 CO 0.00 0.33 -0.89 1.49 -1.05 0.00 0.00 178.16 178.05 1xbl h GLU 8 N 0.68 0.00 -0.78 4.88 4.81 -1.78 0.12 114.58 122.50 1xbl h GLU 8 Ca 0.28 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.69 1xbl h GLU 8 Cb 0.14 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.40 1xbl h GLU 8 CO -0.16 0.39 0.17 0.82 -0.73 0.00 0.00 179.01 179.50 1xbl h ILE 9 N 0.00 0.43 0.35 2.32 2.04 -1.76 -0.89 117.51 120.01 1xbl h ILE 9 Ca -0.07 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1xbl h ILE 9 Cb 1.45 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xbl h ILE 9 CO 0.05 0.04 -0.17 -0.07 0.00 0.00 0.00 178.15 178.01 1xbl h LEU 10 N 0.23 -0.40 0.00 1.44 3.38 -1.55 -3.45 115.31 114.95 1xbl h LEU 10 Ca 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1xbl h LEU 10 Cb 0.82 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xbl h LEU 10 CO -0.57 0.04 0.00 0.61 0.09 0.00 0.00 178.44 178.61 1xbl n GLY 11 N 0.53 0.88 3.87 0.83 0.00 -0.14 -5.03 105.19 106.13 1xbl n GLY 11 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.79 1.78 0.26 1.61 0.11 -0.26 -4.97 120.40 118.15 1xbl s VAL 12 Ca 0.00 -1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 1xbl s VAL 12 Cb 0.00 -2.34 -0.14 0.00 -1.53 0.00 0.00 36.38 32.38 1xbl s VAL 12 CO 0.00 0.00 1.28 -1.20 -3.33 0.00 0.00 175.10 171.85 1xbl n SER 13 N -1.63 2.33 -4.74 3.54 7.64 -1.26 -4.52 113.62 114.97 1xbl n SER 13 Ca -0.03 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.60 1xbl n SER 13 Cb 0.64 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.45 1xbl n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xbl n LYS 14 N 1.44 2.48 -2.36 1.43 5.02 -1.26 -2.01 118.16 122.90 1xbl n LYS 14 Ca 0.10 0.87 -0.18 0.00 -2.02 0.00 0.00 58.31 57.08 1xbl n LYS 14 Cb 0.32 -2.57 -0.01 0.00 -0.02 0.00 0.00 35.03 32.75 1xbl n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xbl n THR 15 N 0.80 -0.81 -1.26 -0.18 -2.24 -1.26 -4.93 114.28 104.40 1xbl n THR 15 Ca 0.04 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 1xbl n THR 15 Cb 0.37 -2.52 0.11 0.00 -2.10 0.00 0.00 70.33 66.19 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl s ALA 16 N -2.88 1.96 0.45 6.98 0.00 -0.85 -4.98 121.76 122.45 1xbl s ALA 16 Ca 0.00 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 1xbl s ALA 16 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1xbl s ALA 16 CO 0.00 -2.14 1.12 -2.00 0.00 0.00 0.00 175.76 172.75 1xbl s GLU 17 N -3.95 3.82 0.52 0.00 -6.30 -1.26 -4.84 118.70 106.69 1xbl s GLU 17 Ca 0.76 1.67 0.23 0.00 -2.50 0.00 0.00 54.97 55.13 1xbl s GLU 17 Cb -0.31 -2.38 1.35 0.00 0.00 0.00 0.00 34.13 32.79 1xbl s GLU 17 CO 0.48 -0.47 2.01 0.93 0.02 0.00 0.00 175.26 178.23 1xbl h GLU 18 N 2.05 0.04 -0.80 4.30 3.07 -1.96 0.31 114.58 121.60 1xbl h GLU 18 Ca -0.49 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.41 1xbl h GLU 18 Cb 1.24 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.09 1xbl h GLU 18 CO 0.60 0.03 0.49 -0.09 -1.40 0.00 0.00 179.01 178.65 1xbl h ARG 19 N 0.04 0.91 -0.09 2.33 2.43 -2.00 -0.07 114.38 117.94 1xbl h ARG 19 Ca 0.24 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 1xbl h ARG 19 Cb 0.88 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1xbl h ARG 19 CO -0.01 0.60 -0.74 1.49 -1.51 0.00 0.00 179.97 179.79 1xbl h GLU 20 N 0.93 0.46 -0.81 0.20 4.81 -0.81 -2.10 114.58 117.27 1xbl h GLU 20 Ca 0.33 -0.38 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1xbl h GLU 20 Cb 0.09 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 1xbl h GLU 20 CO -0.14 1.02 0.44 0.82 -0.73 0.00 0.00 179.01 180.41 1xbl h ILE 21 N 0.31 0.84 -0.34 2.32 1.08 -0.57 0.36 117.51 121.52 1xbl h ILE 21 Ca -0.04 -0.24 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 1xbl h ILE 21 Cb 1.33 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 1xbl h ILE 21 CO 0.13 0.13 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.63 1xbl h ARG 22 N 0.70 0.09 0.20 2.37 9.65 -0.38 0.14 114.38 127.15 1xbl h ARG 22 Ca 0.41 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.29 1xbl h ARG 22 Cb 0.44 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 1xbl h ARG 22 CO -0.28 0.06 -0.47 0.87 2.80 0.00 0.00 179.97 182.94 1xbl h LYS 23 N 0.09 -0.73 -0.47 0.20 6.56 -0.66 -2.38 116.57 119.19 1xbl h LYS 23 Ca 0.16 0.05 0.06 0.00 -1.06 0.00 0.00 60.65 59.86 1xbl h LYS 23 Cb 0.22 0.17 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 1xbl h LYS 23 CO -0.28 -0.49 0.16 0.00 -2.06 0.00 0.00 179.45 176.79 1xbl h ALA 24 N -0.43 0.56 -0.57 3.86 0.00 -0.59 -0.81 119.26 121.28 1xbl h ALA 24 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1xbl h ALA 24 Cb 0.75 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1xbl h ALA 24 CO -0.22 -0.23 0.18 -0.92 0.00 0.00 0.00 179.25 178.06 1xbl h TYR 25 N 0.34 0.31 0.45 0.00 3.20 -0.58 0.20 116.97 120.88 1xbl h TYR 25 Ca 0.22 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1xbl h TYR 25 Cb 0.23 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1xbl h TYR 25 CO -0.16 0.06 -0.28 0.87 -1.64 0.00 0.00 178.16 177.01 1xbl h LYS 26 N 0.34 -0.67 -0.15 1.82 1.79 -0.86 -0.86 116.57 117.99 1xbl h LYS 26 Ca 0.29 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.85 1xbl h LYS 26 Cb 0.36 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 1xbl h LYS 26 CO -0.31 -0.44 -0.23 0.00 -1.08 0.00 0.00 179.45 177.38 1xbl h ARG 27 N -0.69 -0.28 -0.46 3.15 3.08 -0.03 -1.54 114.38 117.61 1xbl h ARG 27 Ca -0.05 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1xbl h ARG 27 Cb 0.57 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 1xbl h ARG 27 CO 0.05 -0.19 0.08 -0.07 -1.07 0.00 0.00 179.97 178.78 1xbl h LEU 28 N -0.29 -0.01 -0.27 3.04 -0.00 -0.64 -0.58 115.31 116.56 1xbl h LEU 28 Ca 0.11 0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.13 1xbl h LEU 28 Cb 0.45 0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.16 1xbl h LEU 28 CO -0.31 0.03 -0.12 0.00 -0.00 0.00 0.00 178.44 178.04 1xbl h ALA 29 N 1.36 0.10 0.00 1.53 0.00 -0.22 0.19 119.26 122.23 1xbl h ALA 29 Ca 0.23 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xbl h ALA 29 Cb 0.30 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xbl h ALA 29 CO -0.30 -0.52 0.00 -1.33 0.00 0.00 0.00 179.25 177.10 1xbl n MET 30 N -5.29 0.09 -0.06 0.00 2.81 -0.68 -1.67 117.12 112.32 1xbl n MET 30 Ca -0.00 0.33 -0.07 0.00 -1.81 0.00 0.00 57.70 56.15 1xbl n MET 30 Cb 0.20 -1.68 -0.05 0.00 -0.71 0.00 0.00 33.22 30.98 1xbl n MET 30 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xbl h LYS 31 N 0.00 0.00 -1.01 0.03 3.64 0.95 -3.33 116.57 116.85 1xbl h LYS 31 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1xbl h LYS 31 Cb 0.30 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.95 1xbl h LYS 31 CO 0.00 0.40 0.37 2.48 -2.27 0.00 0.00 179.45 180.43 1xbl n TYR 32 N -4.68 1.71 -1.68 1.91 0.18 -0.67 -4.96 117.16 108.97 1xbl n TYR 32 Ca -0.07 -1.26 -0.45 0.00 1.88 0.00 0.00 57.90 58.00 1xbl n TYR 32 Cb 0.24 -0.64 -0.04 0.00 -0.38 0.00 0.00 39.34 38.52 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 -0.41 2.42 -2.72 -3.48 -0.00 -0.67 -4.88 115.22 105.48 1xbl n HIS 33 Ca 0.33 0.10 -0.43 0.00 0.46 0.00 0.00 57.72 58.18 1xbl n HIS 33 Cb 1.15 -2.62 -0.03 0.00 -0.12 0.00 0.00 29.99 28.37 1xbl n HIS 33 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1xbl s PRO 34 N 1.96 4.30 0.00 1.57 0.04 -1.26 -5.03 135.00 136.57 1xbl s PRO 34 Ca 0.82 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1xbl s PRO 34 Cb -0.62 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1xbl s PRO 34 CO 0.40 -0.50 0.00 -0.40 0.04 0.00 0.00 177.00 176.53 1xbl n ASP 35 N 5.82 0.00 -1.73 6.66 5.75 -1.26 -4.80 116.55 126.99 1xbl n ASP 35 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.86 1xbl n ASP 35 Cb 0.47 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1xbl n ARG 36 N 0.00 0.93 -1.91 0.11 1.85 -1.26 -4.70 116.66 111.69 1xbl n ARG 36 Ca 0.00 -0.17 -0.40 0.00 -1.00 0.00 0.00 57.85 56.28 1xbl n ARG 36 Cb 0.00 -1.29 -0.01 0.00 -1.05 0.00 0.00 32.46 30.11 1xbl n ARG 36 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xbl n ASN 37 N 1.84 7.89 -4.72 2.89 2.85 -1.26 -4.95 115.26 119.81 1xbl n ASN 37 Ca 0.07 -3.04 -0.42 0.00 -0.11 0.00 0.00 54.58 51.08 1xbl n ASN 37 Cb 0.45 -1.41 -0.00 0.00 1.24 0.00 0.00 39.78 40.06 1xbl n ASN 37 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1xbl n GLN 38 N 2.24 2.25 -1.13 1.20 0.00 -1.26 -2.92 117.38 117.75 1xbl n GLN 38 Ca 0.63 0.79 -0.05 0.00 -0.00 0.00 0.00 57.00 58.38 1xbl n GLN 38 Cb 0.25 -2.41 -0.02 0.00 0.00 0.00 0.00 30.24 28.06 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 0.69 0.73 3.40 1.69 0.00 -1.26 -5.02 105.19 105.42 1xbl n GLY 39 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.72 -0.19 0.29 1.61 -1.08 -1.15 -4.96 116.67 108.48 1xbl s ASP 40 Ca 0.00 0.99 0.00 0.00 -0.52 0.00 0.00 52.55 53.02 1xbl s ASP 40 Cb 0.00 -1.46 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 1xbl s ASP 40 CO 0.00 -4.85 0.00 1.17 0.52 0.00 0.00 175.17 172.01 1xbl n LYS 41 N -5.30 0.00 -0.10 4.34 4.81 -1.26 -4.91 118.16 115.75 1xbl n LYS 41 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1xbl n LYS 41 Cb 0.58 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.60 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 0.48 -0.91 1.64 4.39 -1.98 -0.26 114.58 117.94 1xbl h GLU 42 Ca 0.00 -0.14 0.10 0.00 0.34 0.00 0.00 59.36 59.66 1xbl h GLU 42 Cb 0.00 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.53 1xbl h GLU 42 CO 0.00 0.61 0.59 0.00 -1.16 0.00 0.00 179.01 179.05 1xbl h ALA 43 N 0.85 1.60 0.45 3.43 0.00 -1.98 0.32 119.26 123.95 1xbl h ALA 43 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xbl h ALA 43 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xbl h ALA 43 CO 0.01 0.21 -0.22 1.49 0.00 0.00 0.00 179.25 180.75 1xbl h GLU 44 N 0.92 -0.58 -0.20 0.00 4.81 -1.75 0.85 114.58 118.64 1xbl h GLU 44 Ca 0.42 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1xbl h GLU 44 Cb 0.39 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1xbl h GLU 44 CO -0.18 -0.34 0.08 0.00 -0.73 0.00 0.00 179.01 177.84 1xbl h ALA 45 N -0.19 1.78 -0.37 2.92 0.00 -0.50 0.43 119.26 123.33 1xbl h ALA 45 Ca -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xbl h ALA 45 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xbl h ALA 45 CO 0.10 0.19 0.12 -0.22 0.00 0.00 0.00 179.25 179.43 1xbl h LYS 46 N 0.27 0.57 -0.78 0.00 3.64 -0.06 0.26 116.57 120.47 1xbl h LYS 46 Ca 0.07 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1xbl h LYS 46 Cb 0.06 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1xbl h LYS 46 CO -0.01 0.58 0.42 0.35 -2.27 0.00 0.00 179.45 178.53 1xbl h PHE 47 N 0.45 0.76 -0.45 1.91 3.57 0.30 -1.23 116.94 122.25 1xbl h PHE 47 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1xbl h PHE 47 Cb 0.25 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1xbl h PHE 47 CO 0.01 0.29 0.16 0.87 -2.23 0.00 0.00 178.31 177.41 1xbl h LYS 48 N 0.70 0.69 -0.29 1.11 1.57 0.96 0.15 116.57 121.47 1xbl h LYS 48 Ca 0.39 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1xbl h LYS 48 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xbl h LYS 48 CO -0.27 0.65 -0.19 1.05 -0.57 0.00 0.00 179.45 180.12 1xbl h GLU 49 N 0.59 0.64 -0.71 3.15 4.11 -0.33 0.53 114.58 122.56 1xbl h GLU 49 Ca 0.15 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1xbl h GLU 49 Cb 0.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1xbl h GLU 49 CO -0.01 0.90 0.42 0.82 0.07 0.00 0.00 179.01 181.20 1xbl h ILE 50 N 0.39 1.21 -0.44 -1.06 2.04 -1.07 0.67 117.51 119.24 1xbl h ILE 50 Ca 0.06 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 1xbl h ILE 50 Cb 0.73 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1xbl h ILE 50 CO 0.05 0.22 -0.16 0.50 0.00 0.00 0.00 178.15 178.76 1xbl h LYS 51 N 0.97 0.89 -0.01 2.37 3.11 -0.50 -2.93 116.57 120.47 1xbl h LYS 51 Ca 0.25 -0.36 0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1xbl h LYS 51 Cb -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 1xbl h LYS 51 CO -0.05 1.01 -0.25 1.49 -2.81 0.00 0.00 179.45 178.85 1xbl h GLU 52 N 0.72 -0.36 -0.68 1.90 4.81 0.98 0.18 114.58 122.13 1xbl h GLU 52 Ca 0.11 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1xbl h GLU 52 Cb 0.71 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.05 1xbl h GLU 52 CO 0.05 -0.24 -0.16 0.00 -0.73 0.00 0.00 179.01 177.93 1xbl h ALA 53 N 0.47 0.46 0.00 2.92 0.00 -0.88 0.33 119.26 122.56 1xbl h ALA 53 Ca 0.06 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xbl h ALA 53 Cb 0.46 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xbl h ALA 53 CO -0.22 -0.42 -0.00 -0.92 0.00 0.00 0.00 179.25 177.68 1xbl h TYR 54 N 0.00 -0.01 -0.68 0.00 3.20 -0.97 0.88 116.97 119.39 1xbl h TYR 54 Ca 0.33 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1xbl h TYR 54 Cb 0.50 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1xbl h TYR 54 CO -0.54 0.15 0.19 1.49 -1.64 0.00 0.00 178.16 177.81 1xbl h GLU 55 N -0.16 1.07 0.78 1.82 4.57 0.28 0.54 114.58 123.47 1xbl h GLU 55 Ca -0.00 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1xbl h GLU 55 Cb 0.16 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1xbl h GLU 55 CO 0.00 0.92 -0.37 0.28 -1.18 0.00 0.00 179.01 178.66 1xbl h VAL 56 N 1.02 0.00 -0.40 0.32 2.07 -0.38 -3.19 116.25 115.68 1xbl h VAL 56 Ca 0.22 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.68 1xbl h VAL 56 Cb 0.32 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1xbl h VAL 56 CO -0.00 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.79 1xbl h LEU 57 N -1.19 0.15 -2.97 2.57 3.38 -0.28 -0.42 115.31 116.55 1xbl h LEU 57 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xbl h LEU 57 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xbl h LEU 57 CO 0.18 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.15 1xbl n THR 58 N -4.46 1.74 -3.42 0.22 -2.24 0.13 -4.83 114.28 101.42 1xbl n THR 58 Ca 0.06 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1xbl n THR 58 Cb 0.36 -1.41 0.01 0.00 -2.10 0.00 0.00 70.33 67.19 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 1.44 -6.35 0.00 3.42 2.03 -0.17 -4.98 116.55 111.94 1xbl n ASP 59 Ca 0.00 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1xbl n ASP 59 Cb 0.46 -3.65 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 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 -2.23 0.00 0.00 1.67 3.41 -1.24 -4.96 113.62 110.27 1xbl n SER 60 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1xbl n SER 60 Cb 0.59 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.98 0.00 -0.16 4.33 7.27 -1.26 -4.75 117.38 120.82 1xbl n GLN 61 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 1xbl n GLN 61 Cb 0.00 0.00 0.33 0.00 2.41 0.00 0.00 30.24 32.98 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 0.78 0.09 3.69 1.57 -1.96 -0.26 116.57 120.49 1xbl h LYS 62 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xbl h LYS 62 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1xbl h LYS 62 CO 0.00 0.52 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.26 1xbl h ARG 63 N 0.80 -0.12 -0.50 3.15 1.12 -1.89 -0.56 114.38 116.38 1xbl h ARG 63 Ca 0.28 0.01 0.08 0.00 -1.11 0.00 0.00 59.98 59.23 1xbl h ARG 63 Cb 0.10 0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.02 1xbl h ARG 63 CO -0.08 0.15 0.15 0.00 -3.11 0.00 0.00 179.97 177.07 1xbl h ALA 64 N 0.50 0.60 -0.73 2.80 0.00 -1.54 0.29 119.26 121.18 1xbl h ALA 64 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xbl h ALA 64 Cb 0.32 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1xbl h ALA 64 CO 0.02 -0.26 0.39 0.00 0.00 0.00 0.00 179.25 179.41 1xbl h ALA 65 N 1.36 1.01 -0.33 0.00 0.00 -0.93 0.12 119.26 120.49 1xbl h ALA 65 Ca 0.25 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 65 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xbl h ALA 65 CO -0.29 0.02 -0.09 -0.92 0.00 0.00 0.00 179.25 177.98 1xbl h TYR 66 N 0.68 0.73 -0.42 0.00 3.20 0.41 -2.54 116.97 119.04 1xbl h TYR 66 Ca 0.35 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1xbl h TYR 66 Cb 0.31 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1xbl h TYR 66 CO -0.09 0.82 0.17 0.22 -1.64 0.00 0.00 178.16 177.64 1xbl h ASP 67 N 0.43 0.58 0.50 -2.11 1.82 0.24 0.24 116.42 118.13 1xbl h ASP 67 Ca 0.08 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1xbl h ASP 67 Cb 0.59 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1xbl h ASP 67 CO 0.03 0.59 -0.24 -0.61 -1.61 0.00 0.00 179.24 177.41 1xbl h GLN 68 N 0.54 -0.65 0.00 0.28 -0.00 -0.82 -3.42 115.11 111.04 1xbl h GLN 68 Ca 0.14 0.04 -0.22 0.00 -0.00 0.00 0.00 58.65 58.62 1xbl h GLN 68 Cb 0.20 0.15 -0.14 0.00 0.00 0.00 0.00 27.48 27.68 1xbl h GLN 68 CO -0.01 -0.35 -0.34 0.98 0.00 0.00 0.00 178.83 179.11 1xbl n TYR 69 N -5.30 -2.43 -0.61 3.99 9.36 -0.96 -5.10 117.16 116.11 1xbl n TYR 69 Ca -0.11 -1.89 0.00 0.00 3.32 0.00 0.00 57.90 59.22 1xbl n TYR 69 Cb 0.31 1.58 0.00 0.00 -0.63 0.00 0.00 39.34 40.60 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xbl n GLY 70 N -0.17 0.00 3.64 2.98 0.00 0.85 -1.93 105.19 110.56 1xbl n GLY 70 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.26 -1.97 -2.07 1.61 8.25 -1.26 -4.82 115.22 115.23 1xbl n HIS 71 Ca 0.00 0.84 -0.04 0.00 -0.26 0.00 0.00 57.72 58.26 1xbl n HIS 71 Cb 0.00 -4.45 -0.02 0.00 1.12 0.00 0.00 29.99 26.65 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 -4.21 2.36 0.03 -1.41 0.00 -0.81 -5.03 120.51 111.44 1xbl n ALA 72 Ca -0.28 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 1xbl n ALA 72 Cb 0.67 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.30 2.81 -2.73 0.00 0.00 -1.24 -4.94 120.51 114.12 1xbl n ALA 73 Ca -0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 1xbl n ALA 73 Cb 0.64 0.25 0.09 0.00 0.00 0.00 0.00 19.45 20.44 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 -3.54 -0.52 1.08 0.00 7.35 -1.26 -4.95 117.46 115.62 1xbl n PHE 74 Ca -0.02 -1.85 0.00 0.00 -0.76 0.00 0.00 57.45 54.82 1xbl n PHE 74 Cb 0.10 0.72 0.00 0.00 0.35 0.00 0.00 39.48 40.65 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 -1.06 0.78 -0.21 -4.13 -0.58 -1.26 -5.05 120.64 109.12 1xbl n GLU 75 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1xbl n GLU 75 Cb 0.85 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59