#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 -4.01 -3.59 0.00 4.01 -1.26 -5.11 118.16 108.21 1xbl n LYS 3 Ca 0.00 2.92 -0.12 0.00 -0.51 0.00 0.00 58.31 60.60 1xbl n LYS 3 Cb 0.00 -3.23 -0.06 0.00 -0.51 0.00 0.00 35.03 31.22 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 -3.03 0.67 0.00 1.97 0.74 -1.26 -5.00 119.66 113.75 1xbl s GLN 4 Ca 0.00 0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.81 1xbl s GLN 4 Cb 0.00 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.43 1xbl s GLN 4 CO 0.00 -0.16 0.00 -3.47 -0.55 0.00 0.00 175.29 171.11 1xbl n ASP 5 N 1.45 0.00 -3.66 6.67 2.03 -1.26 -0.92 116.55 120.87 1xbl n ASP 5 Ca -0.13 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.93 1xbl n ASP 5 Cb 0.57 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 1xbl n ASP 5 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xbl n TYR 6 N -0.56 -1.54 -0.06 -0.67 4.01 -1.26 -4.78 117.16 112.30 1xbl n TYR 6 Ca 0.00 0.41 -0.06 0.00 -0.16 0.00 0.00 57.90 58.08 1xbl n TYR 6 Cb 0.00 -1.64 -0.02 0.00 -0.31 0.00 0.00 39.34 37.36 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 -3.46 0.00 0.17 -0.72 4.01 -0.10 -4.63 117.16 112.43 1xbl n TYR 7 Ca 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1xbl n TYR 7 Cb 0.48 -0.35 0.31 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.70 0.02 -0.84 -0.72 4.22 -1.86 0.43 114.58 115.14 1xbl h GLU 8 Ca 0.00 -0.01 0.21 0.00 0.08 0.00 0.00 59.36 59.64 1xbl h GLU 8 Cb 0.70 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1xbl h GLU 8 CO 0.00 0.44 0.10 0.82 -2.18 0.00 0.00 179.01 178.19 1xbl h ILE 9 N 0.02 0.27 0.00 2.32 2.04 -1.84 -0.19 117.51 120.14 1xbl h ILE 9 Ca -0.00 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1xbl h ILE 9 Cb 0.76 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1xbl h ILE 9 CO 0.06 0.02 -0.41 -0.07 0.00 0.00 0.00 178.15 177.75 1xbl h LEU 10 N 0.13 0.00 0.00 1.44 -0.00 -1.78 -3.43 115.31 111.66 1xbl h LEU 10 Ca 0.50 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1xbl h LEU 10 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1xbl h LEU 10 CO -0.71 1.11 0.00 0.61 -0.00 0.00 0.00 178.44 179.46 1xbl n GLY 11 N 1.57 0.80 3.41 0.83 0.00 0.13 -4.72 105.19 107.21 1xbl n GLY 11 Ca -0.16 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.75 1.07 -0.95 1.61 0.11 -1.22 -4.79 120.40 114.48 1xbl s VAL 12 Ca 0.00 -2.01 -0.24 0.00 -2.93 0.00 0.00 61.98 56.80 1xbl s VAL 12 Cb 0.00 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1xbl s VAL 12 CO 0.00 -0.03 1.46 -0.44 -3.33 0.00 0.00 175.10 172.76 1xbl s SER 13 N -3.44 6.32 0.64 3.54 0.01 -1.26 -4.75 113.70 114.75 1xbl s SER 13 Ca 0.36 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1xbl s SER 13 Cb 0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1xbl s SER 13 CO 0.15 -1.68 0.00 0.29 0.41 0.00 0.00 173.24 172.41 1xbl n LYS 14 N 8.99 0.00 -2.10 12.44 5.02 -1.26 -2.00 118.16 139.25 1xbl n LYS 14 Ca 0.28 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.29 1xbl n LYS 14 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.00 2.67 -1.68 -0.18 -2.24 -1.26 -4.83 114.28 106.76 1xbl n THR 15 Ca 0.00 -4.33 -0.43 0.00 -2.27 0.00 0.00 64.05 57.01 1xbl n THR 15 Cb 0.00 -1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 67.02 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 -0.64 1.08 -0.77 6.98 0.00 -0.85 -4.94 120.51 121.36 1xbl n ALA 16 Ca 0.45 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.98 1xbl n ALA 16 Cb 0.78 -2.23 0.22 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.41 -0.26 0.35 0.00 2.12 -1.26 -4.43 118.70 113.81 1xbl s GLU 17 Ca 0.59 0.81 0.09 0.00 0.36 0.00 0.00 54.97 56.82 1xbl s GLU 17 Cb -0.61 -1.63 0.82 0.00 0.26 0.00 0.00 34.13 32.97 1xbl s GLU 17 CO 0.58 -3.27 1.84 1.49 -0.54 0.00 0.00 175.26 175.36 1xbl h GLU 18 N -2.30 0.67 -0.98 4.30 4.22 -1.93 0.11 114.58 118.67 1xbl h GLU 18 Ca -0.57 -0.04 0.20 0.00 0.08 0.00 0.00 59.36 59.03 1xbl h GLU 18 Cb 1.32 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1xbl h GLU 18 CO 0.52 0.44 0.58 -0.09 -2.18 0.00 0.00 179.01 178.28 1xbl h ARG 19 N 0.69 0.67 0.00 1.92 1.12 -2.00 0.99 114.38 117.77 1xbl h ARG 19 Ca 0.49 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 59.14 1xbl h ARG 19 Cb 0.82 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.60 1xbl h ARG 19 CO -0.25 0.44 -2.12 -1.91 -3.11 0.00 0.00 179.97 173.03 1xbl n GLU 20 N -4.82 0.67 -0.34 0.20 2.13 0.22 -3.55 120.64 115.15 1xbl n GLU 20 Ca 0.24 -0.07 0.08 0.00 0.66 0.00 0.00 57.16 58.06 1xbl n GLU 20 Cb 0.60 -1.55 0.25 0.00 0.27 0.00 0.00 31.44 31.01 1xbl n GLU 20 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1xbl h ILE 21 N 0.00 0.82 -0.27 6.31 1.08 -0.46 0.02 117.51 125.00 1xbl h ILE 21 Ca -0.27 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 63.85 1xbl h ILE 21 Cb 1.62 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1xbl h ILE 21 CO 0.02 0.15 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.39 1xbl h ARG 22 N 0.83 0.47 0.65 2.37 2.43 -0.89 0.17 114.38 120.41 1xbl h ARG 22 Ca 0.50 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1xbl h ARG 22 Cb 0.61 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1xbl h ARG 22 CO -0.32 0.61 -0.43 0.87 -1.51 0.00 0.00 179.97 179.19 1xbl h LYS 23 N 0.43 -0.99 -0.31 0.20 6.56 -1.11 0.13 116.57 121.48 1xbl h LYS 23 Ca 0.08 0.07 0.06 0.00 -1.06 0.00 0.00 60.65 59.80 1xbl h LYS 23 Cb 0.51 0.23 -0.06 0.00 -0.57 0.00 0.00 32.23 32.34 1xbl h LYS 23 CO 0.03 -0.66 -0.08 0.00 -2.06 0.00 0.00 179.45 176.68 1xbl h ALA 24 N -0.82 0.20 -0.31 3.86 0.00 0.04 0.86 119.26 123.10 1xbl h ALA 24 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 24 Cb 0.85 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1xbl h ALA 24 CO 0.06 -0.46 -0.07 -0.92 0.00 0.00 0.00 179.25 177.86 1xbl h TYR 25 N -0.00 -0.15 0.22 0.00 3.20 -0.76 -1.28 116.97 118.20 1xbl h TYR 25 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1xbl h TYR 25 Cb 0.23 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1xbl h TYR 25 CO -0.29 -0.12 -0.11 -0.22 -1.64 0.00 0.00 178.16 175.78 1xbl h LYS 26 N 0.01 -0.28 -0.81 1.82 3.64 0.41 0.26 116.57 121.62 1xbl h LYS 26 Ca 0.15 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1xbl h LYS 26 Cb 0.22 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1xbl h LYS 26 CO -0.31 -0.18 0.53 0.07 -2.27 0.00 0.00 179.45 177.29 1xbl h ARG 27 N -0.31 1.07 -0.24 1.90 0.11 -0.61 -0.94 114.38 115.37 1xbl h ARG 27 Ca -0.03 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 59.88 1xbl h ARG 27 Cb 0.23 -0.24 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 1xbl h ARG 27 CO 0.05 0.71 -0.25 -0.07 0.10 0.00 0.00 179.97 180.50 1xbl h LEU 28 N 1.10 0.63 -0.66 0.08 3.38 -1.13 -3.15 115.31 115.56 1xbl h LEU 28 Ca 0.30 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.87 1xbl h LEU 28 Cb -0.12 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.38 1xbl h LEU 28 CO -0.06 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.75 1xbl h ALA 29 N 0.66 0.88 -0.83 1.53 0.00 0.77 0.14 119.26 122.42 1xbl h ALA 29 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xbl h ALA 29 Cb 0.81 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1xbl h ALA 29 CO 0.06 -0.10 0.50 0.00 0.00 0.00 0.00 179.25 179.72 1xbl h MET 30 N 0.53 1.12 -0.38 0.00 -0.00 -1.31 0.12 114.93 115.00 1xbl h MET 30 Ca 0.32 -0.10 0.02 0.00 -0.00 0.00 0.00 59.70 59.95 1xbl h MET 30 Cb 0.34 -0.24 -0.03 0.00 -0.00 0.00 0.00 31.60 31.68 1xbl h MET 30 CO -0.27 0.78 0.21 -0.22 -0.00 0.00 0.00 176.91 177.41 1xbl h LYS 31 N 1.13 0.41 -0.61 -0.10 1.63 -0.81 -3.17 116.57 115.05 1xbl h LYS 31 Ca 0.30 -0.02 -0.29 0.00 -0.85 0.00 0.00 60.65 59.79 1xbl h LYS 31 Cb -0.05 -0.09 -0.17 0.00 -0.60 0.00 0.00 32.23 31.31 1xbl h LYS 31 CO -0.06 0.27 0.22 0.66 -3.45 0.00 0.00 179.45 177.09 1xbl n TYR 32 N -4.90 1.92 -1.80 1.91 4.01 0.18 -5.04 117.16 113.44 1xbl n TYR 32 Ca 0.01 -1.59 -0.42 0.00 -0.16 0.00 0.00 57.90 55.74 1xbl n TYR 32 Cb 0.08 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 1xbl n TYR 32 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1xbl s HIS 33 N -3.21 2.30 0.18 -0.72 2.46 0.38 -4.76 115.29 111.92 1xbl s HIS 33 Ca 0.50 0.14 -0.32 0.00 0.47 0.00 0.00 55.06 55.85 1xbl s HIS 33 Cb 0.43 -4.09 -0.11 0.00 -0.13 0.00 0.00 32.58 28.69 1xbl s HIS 33 CO 0.06 -4.42 1.63 -1.25 -2.47 0.00 0.00 174.74 168.29 1xbl s PRO 34 N 2.60 4.18 0.00 2.88 0.04 -1.26 -4.69 135.00 138.75 1xbl s PRO 34 Ca 0.78 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.28 1xbl s PRO 34 Cb -0.44 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1xbl s PRO 34 CO 0.34 -0.67 0.00 -3.47 0.04 0.00 0.00 177.00 173.25 1xbl n ASP 35 N 3.98 0.00 -1.26 6.66 2.03 -1.26 -4.92 116.55 121.78 1xbl n ASP 35 Ca 0.15 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.45 1xbl n ASP 35 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.00 1.05 -0.06 -0.67 1.85 -1.26 -4.28 116.66 113.29 1xbl n ARG 36 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 57.85 56.75 1xbl n ARG 36 Cb 0.00 -1.04 0.04 0.00 -1.05 0.00 0.00 32.46 30.41 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 0.88 0.65 -3.63 2.89 6.94 -1.26 -4.56 115.26 117.17 1xbl n ASN 37 Ca 0.02 -2.02 -0.41 0.00 -0.02 0.00 0.00 54.58 52.16 1xbl n ASN 37 Cb 0.53 -0.12 -0.01 0.00 -2.36 0.00 0.00 39.78 37.81 1xbl n ASN 37 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1xbl n GLN 38 N -0.18 2.78 0.00 -3.83 -0.06 -1.26 -2.64 117.38 112.19 1xbl n GLN 38 Ca 0.03 -2.40 0.00 0.00 -2.00 0.00 0.00 57.00 52.63 1xbl n GLN 38 Cb 0.12 -3.14 0.00 0.00 -4.06 0.00 0.00 30.24 23.16 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xbl n GLY 39 N 4.07 -1.19 3.66 1.69 0.00 -1.26 -5.10 105.19 107.05 1xbl n GLY 39 Ca 0.56 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.63 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 6.78 -0.23 1.61 -1.08 -1.08 -4.90 116.67 117.77 1xbl s ASP 40 Ca 0.00 2.03 -0.16 0.00 -0.52 0.00 0.00 52.55 53.90 1xbl s ASP 40 Cb 0.00 -2.54 -0.11 0.00 -1.46 0.00 0.00 42.92 38.81 1xbl s ASP 40 CO 0.00 -0.86 -0.21 1.17 0.52 0.00 0.00 175.17 175.80 1xbl n LYS 41 N 6.87 0.56 -0.30 4.34 0.00 -1.26 -4.16 118.16 124.21 1xbl n LYS 41 Ca 0.16 0.35 -0.05 0.00 0.00 0.00 0.00 58.31 58.77 1xbl n LYS 41 Cb 0.44 -1.56 0.07 0.00 0.00 0.00 0.00 35.03 33.98 1xbl n LYS 41 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1xbl h GLU 42 N -1.00 1.16 -0.85 1.64 5.08 -1.98 -0.73 114.58 117.90 1xbl h GLU 42 Ca -0.41 -0.16 0.10 0.00 -1.00 0.00 0.00 59.36 57.89 1xbl h GLU 42 Cb 1.30 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1xbl h GLU 42 CO -0.25 0.88 0.55 0.00 -1.00 0.00 0.00 179.01 179.19 1xbl h ALA 43 N 1.22 1.70 -0.04 3.43 0.00 -1.98 0.42 119.26 124.01 1xbl h ALA 43 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xbl h ALA 43 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xbl h ALA 43 CO -0.04 0.12 -0.01 1.49 0.00 0.00 0.00 179.25 180.81 1xbl h GLU 44 N 0.81 0.07 -0.81 0.00 4.22 -1.42 -0.72 114.58 116.73 1xbl h GLU 44 Ca 0.39 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.84 1xbl h GLU 44 Cb 0.44 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1xbl h GLU 44 CO -0.16 0.43 0.53 0.00 -2.18 0.00 0.00 179.01 177.63 1xbl h ALA 45 N 0.64 1.52 -0.22 2.92 0.00 -0.48 -1.15 119.26 122.49 1xbl h ALA 45 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xbl h ALA 45 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xbl h ALA 45 CO 0.00 0.39 0.01 -0.22 0.00 0.00 0.00 179.25 179.44 1xbl h LYS 46 N 0.98 0.38 -0.84 0.00 1.63 -0.02 -0.80 116.57 117.91 1xbl h LYS 46 Ca 0.33 -0.12 0.17 0.00 -0.85 0.00 0.00 60.65 60.19 1xbl h LYS 46 Cb 0.07 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 1xbl h LYS 46 CO -0.10 0.55 0.55 0.35 -3.45 0.00 0.00 179.45 177.36 1xbl h PHE 47 N 0.16 0.54 0.48 1.91 3.57 -0.59 -2.33 116.94 120.68 1xbl h PHE 47 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1xbl h PHE 47 Cb 0.37 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1xbl h PHE 47 CO 0.03 0.17 -0.23 0.87 -2.23 0.00 0.00 178.31 176.92 1xbl h LYS 48 N 0.43 -0.62 -0.51 1.11 1.57 0.08 -1.03 116.57 117.60 1xbl h LYS 48 Ca 0.42 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.35 1xbl h LYS 48 Cb 0.99 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 1xbl h LYS 48 CO -0.15 -0.35 -0.22 0.93 -0.57 0.00 0.00 179.45 179.08 1xbl h GLU 49 N -0.77 -0.10 -0.58 3.15 5.08 -0.98 0.29 114.58 120.66 1xbl h GLU 49 Ca -0.07 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1xbl h GLU 49 Cb 0.55 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1xbl h GLU 49 CO 0.11 -0.07 0.24 0.82 -1.00 0.00 0.00 179.01 179.11 1xbl h ILE 50 N -0.11 1.23 -0.31 3.13 2.04 -1.39 0.66 117.51 122.76 1xbl h ILE 50 Ca 0.24 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1xbl h ILE 50 Cb 0.48 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1xbl h ILE 50 CO -0.58 0.27 0.13 0.50 0.00 0.00 0.00 178.15 178.47 1xbl h LYS 51 N 0.81 0.47 -0.01 2.37 3.64 -0.12 -2.89 116.57 120.85 1xbl h LYS 51 Ca 0.20 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xbl h LYS 51 Cb 0.20 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1xbl h LYS 51 CO -0.02 0.48 -0.00 1.49 -2.27 0.00 0.00 179.45 179.13 1xbl h GLU 52 N 0.36 0.02 -0.21 1.90 4.22 0.31 0.14 114.58 121.32 1xbl h GLU 52 Ca 0.11 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.59 1xbl h GLU 52 Cb 0.18 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1xbl h GLU 52 CO -0.01 0.37 -0.40 0.00 -2.18 0.00 0.00 179.01 176.79 1xbl h ALA 53 N 0.65 -0.49 -0.46 2.92 0.00 -1.00 0.58 119.26 121.46 1xbl h ALA 53 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xbl h ALA 53 Cb 0.36 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1xbl h ALA 53 CO 0.00 -0.88 0.11 -0.92 0.00 0.00 0.00 179.25 177.56 1xbl h TYR 54 N -0.42 0.18 -0.61 0.00 3.20 -1.25 -0.27 116.97 117.79 1xbl h TYR 54 Ca 0.10 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1xbl h TYR 54 Cb 0.60 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 1xbl h TYR 54 CO -0.51 0.02 0.25 1.49 -1.64 0.00 0.00 178.16 177.78 1xbl h GLU 55 N 0.25 0.44 -0.26 1.82 4.81 -0.04 -2.33 114.58 119.27 1xbl h GLU 55 Ca 0.23 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1xbl h GLU 55 Cb 0.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xbl h GLU 55 CO -0.28 0.29 0.10 -0.24 -0.73 0.00 0.00 179.01 178.15 1xbl h VAL 56 N 0.45 1.18 0.00 0.32 3.04 0.41 -2.18 116.25 119.47 1xbl h VAL 56 Ca 0.30 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1xbl h VAL 56 Cb 0.34 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1xbl h VAL 56 CO -0.28 0.18 0.00 -0.07 -1.01 0.00 0.00 177.57 176.39 1xbl h LEU 57 N 0.27 0.00 -2.99 3.16 3.38 -0.61 -2.50 115.31 116.02 1xbl h LEU 57 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xbl h LEU 57 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xbl h LEU 57 CO -0.01 0.00 0.04 0.35 0.09 0.00 0.00 178.44 178.91 1xbl n THR 58 N -2.58 2.15 -4.28 0.22 -2.24 -0.82 -4.90 114.28 101.82 1xbl n THR 58 Ca 0.00 -1.09 -0.25 0.00 -2.27 0.00 0.00 64.05 60.44 1xbl n THR 58 Cb 0.18 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 1xbl n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xbl s ASP 59 N -0.60 4.26 0.00 3.42 2.15 -0.94 -5.08 116.67 119.88 1xbl s ASP 59 Ca 0.42 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 52.30 1xbl s ASP 59 Cb 0.32 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 1xbl s ASP 59 CO 0.12 -0.43 0.78 -1.20 -0.17 0.00 0.00 175.17 174.27 1xbl n SER 60 N -1.10 0.00 0.00 -0.34 7.64 -1.26 -4.49 113.62 114.07 1xbl n SER 60 Ca -0.03 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1xbl n SER 60 Cb 0.64 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.03 0.00 -3.70 1.43 7.27 -1.26 -4.98 117.38 114.11 1xbl n GLN 61 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 1xbl n GLN 61 Cb 0.00 -0.01 0.01 0.00 2.41 0.00 0.00 30.24 32.65 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 -0.51 -0.73 0.00 3.69 5.02 -1.26 -4.40 118.16 119.96 1xbl n LYS 62 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1xbl n LYS 62 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.90 0.00 0.20 1.97 3.00 -1.26 -4.01 116.66 113.65 1xbl n ARG 63 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.75 1xbl n ARG 63 Cb 0.41 0.00 0.41 0.00 0.00 0.00 0.00 32.46 33.28 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 1.38 -0.83 5.13 0.00 -1.96 0.73 119.26 123.71 1xbl h ALA 64 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.73 1xbl h ALA 64 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1xbl h ALA 64 CO 0.00 0.41 0.45 0.00 0.00 0.00 0.00 179.25 180.11 1xbl h ALA 65 N 1.67 1.21 -0.16 0.00 0.00 -1.93 0.56 119.26 120.62 1xbl h ALA 65 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xbl h ALA 65 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xbl h ALA 65 CO 0.04 -0.01 0.03 -0.92 0.00 0.00 0.00 179.25 178.40 1xbl h TYR 66 N 0.69 0.28 0.00 0.00 3.20 -1.25 0.48 116.97 120.37 1xbl h TYR 66 Ca 0.43 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1xbl h TYR 66 Cb 0.51 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1xbl h TYR 66 CO -0.08 0.42 0.00 -3.47 -1.64 0.00 0.00 178.16 173.39 1xbl n ASP 67 N -4.80 0.00 -0.41 -2.11 2.03 -0.64 -0.80 116.55 109.83 1xbl n ASP 67 Ca -0.05 -0.14 0.12 0.00 0.52 0.00 0.00 54.79 55.24 1xbl n ASP 67 Cb 0.17 -0.25 0.17 0.00 -0.72 0.00 0.00 41.12 40.49 1xbl n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xbl n GLN 68 N -1.25 1.10 -3.70 -0.67 1.13 0.19 -4.99 117.38 109.18 1xbl n GLN 68 Ca 0.12 -0.81 -0.25 0.00 -1.94 0.00 0.00 57.00 54.12 1xbl n GLN 68 Cb 0.18 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.08 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 -0.24 -1.91 -0.28 1.08 4.01 0.02 -4.87 117.16 114.96 1xbl n TYR 69 Ca 0.11 0.69 0.10 0.00 -0.16 0.00 0.00 57.90 58.64 1xbl n TYR 69 Cb 0.42 -3.91 0.26 0.00 -0.31 0.00 0.00 39.34 35.79 1xbl n TYR 69 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1xbl h GLY 70 N -1.80 1.32 -5.90 2.72 0.00 -1.20 -2.74 103.07 95.46 1xbl h GLY 70 Ca -0.63 -0.10 -0.51 0.00 0.00 0.00 0.00 47.33 46.09 1xbl h GLY 70 CO 0.54 -0.25 -1.07 1.57 0.00 0.00 0.00 176.54 177.33 1xbl n HIS 71 N -5.11 -0.51 -3.39 5.60 -0.00 -1.26 -4.98 115.22 105.58 1xbl n HIS 71 Ca 0.19 -3.46 -0.20 0.00 -0.00 0.00 0.00 57.72 54.25 1xbl n HIS 71 Cb 0.58 -0.18 0.06 0.00 -0.00 0.00 0.00 29.99 30.45 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 1.12 -2.49 -0.03 1.57 0.00 -1.03 -4.95 120.51 114.69 1xbl n ALA 72 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xbl n ALA 72 Cb 0.57 -5.18 -0.00 0.00 0.00 0.00 0.00 19.45 14.84 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 73 N 0.22 0.00 0.00 0.00 0.00 -1.81 -3.31 119.26 114.37 1xbl h ALA 73 Ca -0.63 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.60 1xbl h ALA 73 Cb 1.33 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1xbl h ALA 73 CO 0.46 0.02 3.66 1.19 0.00 0.00 0.00 179.25 184.57 1xbl n PHE 74 N -3.62 2.55 -0.87 0.00 3.01 -1.26 -3.82 117.46 113.44 1xbl n PHE 74 Ca -0.00 -3.00 0.05 0.00 1.01 0.00 0.00 57.45 55.51 1xbl n PHE 74 Cb 0.01 -2.46 0.07 0.00 -0.01 0.00 0.00 39.48 37.10 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 4.08 1.53 0.00 -1.08 -0.58 -1.25 -5.10 120.64 118.24 1xbl n GLU 75 Ca 0.72 -1.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.54 1xbl n GLU 75 Cb 0.25 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59