#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 0.90 -0.17 0.00 1.02 -1.26 -5.11 119.74 115.13 1xbl s LYS 3 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1xbl s LYS 3 Cb 0.00 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1xbl s LYS 3 CO 0.00 0.19 1.54 -0.65 -0.92 0.00 0.00 175.35 175.51 1xbl s GLN 4 N -0.09 3.99 -0.39 1.68 -1.52 -1.26 -4.90 119.66 117.17 1xbl s GLN 4 Ca 0.02 1.79 0.10 0.00 -1.95 0.00 0.00 55.36 55.31 1xbl s GLN 4 Cb -0.06 -3.96 0.31 0.00 -0.22 0.00 0.00 33.01 29.09 1xbl s GLN 4 CO -0.00 -1.05 0.71 -3.47 -0.25 0.00 0.00 175.29 171.24 1xbl n ASP 5 N 7.68 0.16 0.05 5.90 -0.08 -1.26 -4.94 116.55 124.06 1xbl n ASP 5 Ca 0.17 -3.00 0.20 0.00 -1.51 0.00 0.00 54.79 50.66 1xbl n ASP 5 Cb 0.45 -0.27 0.73 0.00 2.34 0.00 0.00 41.12 44.37 1xbl n ASP 5 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1xbl h TYR 6 N 3.34 0.00 0.42 -0.67 0.05 -1.96 -1.54 116.97 116.61 1xbl h TYR 6 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1xbl h TYR 6 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1xbl h TYR 6 CO 0.40 0.00 -0.20 1.88 -1.05 0.00 0.00 178.16 179.19 1xbl h TYR 7 N 0.00 -0.52 -0.15 4.88 0.05 -1.92 -2.72 116.97 116.59 1xbl h TYR 7 Ca 0.22 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.91 1xbl h TYR 7 Cb 1.01 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 1xbl h TYR 7 CO 0.00 -0.20 -0.25 1.49 -1.05 0.00 0.00 178.16 178.15 1xbl h GLU 8 N -0.85 0.26 -0.97 4.88 4.81 -1.70 -0.06 114.58 120.95 1xbl h GLU 8 Ca -0.06 -0.09 0.18 0.00 -0.13 0.00 0.00 59.36 59.27 1xbl h GLU 8 Cb 0.55 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.81 1xbl h GLU 8 CO 0.09 0.50 0.57 0.82 -0.73 0.00 0.00 179.01 180.27 1xbl h ILE 9 N 0.24 0.71 -0.06 2.32 2.04 -1.25 0.13 117.51 121.64 1xbl h ILE 9 Ca 0.04 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1xbl h ILE 9 Cb 0.57 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1xbl h ILE 9 CO 0.04 0.13 -0.31 -0.07 0.00 0.00 0.00 178.15 177.94 1xbl h LEU 10 N 0.73 0.37 -1.98 1.44 4.07 -0.98 -3.44 115.31 115.53 1xbl h LEU 10 Ca 0.55 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1xbl h LEU 10 Cb 0.84 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1xbl h LEU 10 CO -0.38 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1xbl n GLY 11 N 0.73 0.24 3.26 0.83 0.00 0.45 -4.97 105.19 105.73 1xbl n GLY 11 Ca -0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.66 0.49 -0.68 1.61 0.11 -1.25 -5.01 120.40 113.02 1xbl s VAL 12 Ca 0.00 -1.99 -0.26 0.00 -2.93 0.00 0.00 61.98 56.80 1xbl s VAL 12 Cb 0.00 -2.39 -0.01 0.00 -1.53 0.00 0.00 36.38 32.45 1xbl s VAL 12 CO 0.00 -0.20 1.72 -0.55 -3.33 0.00 0.00 175.10 172.74 1xbl s SER 13 N -3.22 5.50 0.45 3.54 0.15 -1.26 -4.69 113.70 114.16 1xbl s SER 13 Ca 0.32 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1xbl s SER 13 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1xbl s SER 13 CO 0.09 -2.26 0.00 0.29 1.20 0.00 0.00 173.24 172.56 1xbl n LYS 14 N 9.20 0.00 -1.73 5.44 4.01 -1.26 -2.32 118.16 131.50 1xbl n LYS 14 Ca 0.18 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.87 1xbl n LYS 14 Cb 0.51 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.10 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 0.00 2.12 -1.17 -0.18 -2.24 -1.26 -4.66 114.28 106.89 1xbl n THR 15 Ca 0.00 -3.60 -0.35 0.00 -2.27 0.00 0.00 64.05 57.83 1xbl n THR 15 Cb 0.00 -0.45 0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.73 -1.55 -0.86 6.98 0.00 -0.98 -4.96 120.51 118.42 1xbl n ALA 16 Ca 0.30 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1xbl n ALA 16 Cb 0.89 -1.88 0.15 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.03 1.26 0.32 0.00 -6.30 -1.26 -4.61 118.70 105.08 1xbl s GLU 17 Ca 0.65 1.38 0.06 0.00 -2.50 0.00 0.00 54.97 54.55 1xbl s GLU 17 Cb -0.32 -1.77 0.71 0.00 0.00 0.00 0.00 34.13 32.75 1xbl s GLU 17 CO 0.59 -2.41 1.84 0.93 0.02 0.00 0.00 175.26 176.23 1xbl h GLU 18 N -1.70 0.80 -0.99 4.30 5.08 -1.92 0.19 114.58 120.33 1xbl h GLU 18 Ca -0.44 -0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.07 1xbl h GLU 18 Cb 1.26 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 1xbl h GLU 18 CO 0.45 0.53 0.62 -0.09 -1.00 0.00 0.00 179.01 179.51 1xbl h ARG 19 N 0.82 0.66 0.12 2.33 9.65 -2.00 0.22 114.38 126.17 1xbl h ARG 19 Ca 0.49 -0.04 -0.32 0.00 -1.10 0.00 0.00 59.98 59.01 1xbl h ARG 19 Cb 0.66 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1xbl h ARG 19 CO -0.25 0.43 -1.63 1.49 2.80 0.00 0.00 179.97 182.82 1xbl h GLU 20 N 0.68 0.24 -0.88 0.20 4.57 -1.03 -3.28 114.58 115.08 1xbl h GLU 20 Ca 0.57 -0.42 0.15 0.00 -1.18 0.00 0.00 59.36 58.48 1xbl h GLU 20 Cb 1.00 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.68 1xbl h GLU 20 CO -0.35 1.09 0.57 0.82 -1.18 0.00 0.00 179.01 179.97 1xbl h ILE 21 N 0.07 0.81 -0.18 2.32 1.08 -0.08 0.17 117.51 121.69 1xbl h ILE 21 Ca -0.28 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1xbl h ILE 21 Cb 2.03 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1xbl h ILE 21 CO 0.15 0.12 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.50 1xbl h ARG 22 N 0.64 -0.14 0.08 2.37 9.65 -0.67 0.84 114.38 127.15 1xbl h ARG 22 Ca 0.45 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.33 1xbl h ARG 22 Cb 0.78 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1xbl h ARG 22 CO -0.20 -0.09 -0.05 0.87 2.80 0.00 0.00 179.97 183.30 1xbl h LYS 23 N -0.14 -0.13 0.04 0.20 1.79 -0.85 -0.77 116.57 116.71 1xbl h LYS 23 Ca 0.11 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1xbl h LYS 23 Cb 0.30 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1xbl h LYS 23 CO -0.26 -0.09 -0.26 0.00 -1.08 0.00 0.00 179.45 177.76 1xbl h ALA 24 N 0.78 -0.38 0.06 3.86 0.00 -0.66 0.10 119.26 123.02 1xbl h ALA 24 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xbl h ALA 24 Cb 0.12 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xbl h ALA 24 CO 0.00 -0.77 -0.29 -0.92 0.00 0.00 0.00 179.25 177.27 1xbl h TYR 25 N -0.42 -0.78 -0.46 0.00 5.03 -0.62 0.30 116.97 120.02 1xbl h TYR 25 Ca 0.05 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 1xbl h TYR 25 Cb 0.49 0.34 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1xbl h TYR 25 CO -0.28 -0.39 -0.03 -0.22 -1.32 0.00 0.00 178.16 175.92 1xbl h LYS 26 N -0.47 0.83 -0.26 1.82 1.63 -0.97 -0.69 116.57 118.45 1xbl h LYS 26 Ca 0.05 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1xbl h LYS 26 Cb 0.53 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1xbl h LYS 26 CO -0.21 0.90 0.14 -0.09 -3.45 0.00 0.00 179.45 176.74 1xbl h ARG 27 N 0.67 0.28 -0.60 1.90 2.43 -0.61 -2.54 114.38 115.92 1xbl h ARG 27 Ca 0.13 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1xbl h ARG 27 Cb 0.55 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 1xbl h ARG 27 CO 0.03 0.18 0.25 -0.07 -1.51 0.00 0.00 179.97 178.85 1xbl h LEU 28 N 0.29 0.28 0.09 3.80 3.38 -0.02 0.20 115.31 123.31 1xbl h LEU 28 Ca 0.10 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xbl h LEU 28 Cb 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1xbl h LEU 28 CO -0.06 0.17 -0.27 0.00 0.09 0.00 0.00 178.44 178.37 1xbl h ALA 29 N 1.39 -0.43 -0.44 1.53 0.00 -0.73 0.13 119.26 120.71 1xbl h ALA 29 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1xbl h ALA 29 Cb 0.33 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xbl h ALA 29 CO -0.28 -0.80 0.06 0.00 0.00 0.00 0.00 179.25 178.24 1xbl h MET 30 N -0.46 0.67 -0.01 0.00 -0.00 -1.06 0.31 114.93 114.38 1xbl h MET 30 Ca 0.04 -0.14 0.01 0.00 -0.00 0.00 0.00 59.70 59.61 1xbl h MET 30 Cb 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.99 1xbl h MET 30 CO -0.18 0.65 -0.03 -0.22 -0.00 0.00 0.00 176.91 177.13 1xbl h LYS 31 N 0.65 -0.05 -0.01 -0.10 3.64 0.04 -2.90 116.57 117.84 1xbl h LYS 31 Ca 0.14 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 1xbl h LYS 31 Cb 0.31 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1xbl h LYS 31 CO 0.00 -0.03 -0.74 1.88 -2.27 0.00 0.00 179.45 178.29 1xbl h TYR 32 N -0.05 0.08 -6.63 1.91 -1.99 -0.54 -3.49 116.97 106.27 1xbl h TYR 32 Ca 0.02 -0.04 -0.43 0.00 2.00 0.00 0.00 58.73 60.28 1xbl h TYR 32 Cb 0.07 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 38.80 1xbl h TYR 32 CO -0.11 0.78 -1.16 1.58 -0.00 0.00 0.00 178.16 179.25 1xbl n HIS 33 N -3.69 -2.43 -2.11 4.88 -0.00 0.11 -4.76 115.22 107.21 1xbl n HIS 33 Ca -0.01 1.01 -0.29 0.00 -0.00 0.00 0.00 57.72 58.43 1xbl n HIS 33 Cb 0.72 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 28.44 1xbl n HIS 33 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1xbl s PRO 34 N -3.49 2.66 0.00 1.57 0.04 -1.26 -4.84 135.00 129.67 1xbl s PRO 34 Ca 0.22 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.33 1xbl s PRO 34 Cb -0.02 -5.21 -0.01 0.00 0.04 0.00 0.00 34.50 29.30 1xbl s PRO 34 CO 0.88 -3.60 -0.01 0.34 0.04 0.00 0.00 177.00 174.65 1xbl s ASP 35 N 6.79 0.12 -0.51 6.66 2.15 -1.26 -4.92 116.67 125.69 1xbl s ASP 35 Ca 0.67 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 53.51 1xbl s ASP 35 Cb -0.02 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 1xbl s ASP 35 CO 0.07 -0.06 0.04 -2.11 -0.17 0.00 0.00 175.17 172.94 1xbl n ARG 36 N 2.73 -0.94 -1.81 4.34 1.85 -1.26 -4.80 116.66 116.77 1xbl n ARG 36 Ca -0.15 -0.03 -0.12 0.00 -1.00 0.00 0.00 57.85 56.55 1xbl n ARG 36 Cb 0.59 -1.06 0.07 0.00 -1.05 0.00 0.00 32.46 31.01 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 -0.68 3.46 -3.43 2.89 3.02 -1.26 -4.92 115.26 114.34 1xbl n ASN 37 Ca -0.10 -3.41 -0.38 0.00 -0.03 0.00 0.00 54.58 50.66 1xbl n ASN 37 Cb 0.23 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xbl n GLN 38 N -0.71 3.20 0.00 3.52 10.64 -1.26 -2.85 117.38 129.92 1xbl n GLN 38 Ca 0.30 -2.22 0.00 0.00 -1.83 0.00 0.00 57.00 53.25 1xbl n GLN 38 Cb 0.89 -2.91 0.00 0.00 -0.86 0.00 0.00 30.24 27.36 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 3.79 0.26 3.58 2.61 0.00 -1.26 -5.07 105.19 109.10 1xbl n GLY 39 Ca 0.66 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 5.40 -0.04 1.61 -1.08 -1.13 -4.87 116.67 116.56 1xbl s ASP 40 Ca 0.00 1.14 -0.09 0.00 -0.52 0.00 0.00 52.55 53.08 1xbl s ASP 40 Cb 0.00 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.89 1xbl s ASP 40 CO 0.00 -2.12 0.43 0.11 0.52 0.00 0.00 175.17 174.11 1xbl h LYS 41 N 14.96 -0.32 -0.73 4.34 6.56 -1.98 -3.36 116.57 136.06 1xbl h LYS 41 Ca -0.31 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.33 1xbl h LYS 41 Cb 1.20 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.89 1xbl h LYS 41 CO 1.09 -0.21 0.48 0.93 -2.06 0.00 0.00 179.45 179.67 1xbl h GLU 42 N -0.91 0.88 -0.74 3.15 3.07 -1.98 -0.17 114.58 117.88 1xbl h GLU 42 Ca -0.03 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1xbl h GLU 42 Cb 0.25 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 1xbl h GLU 42 CO 0.06 0.58 0.41 0.00 -1.40 0.00 0.00 179.01 178.66 1xbl h ALA 43 N 1.57 1.02 -0.32 3.43 0.00 -1.99 0.51 119.26 123.48 1xbl h ALA 43 Ca 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1xbl h ALA 43 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xbl h ALA 43 CO -0.08 0.07 0.04 1.49 0.00 0.00 0.00 179.25 180.77 1xbl h GLU 44 N 0.73 0.54 -0.62 0.00 4.81 -1.19 0.56 114.58 119.41 1xbl h GLU 44 Ca 0.35 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1xbl h GLU 44 Cb 0.27 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1xbl h GLU 44 CO -0.22 0.64 0.41 0.00 -0.73 0.00 0.00 179.01 179.11 1xbl h ALA 45 N 0.88 1.76 -0.41 2.92 0.00 -0.69 -1.63 119.26 122.09 1xbl h ALA 45 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xbl h ALA 45 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xbl h ALA 45 CO 0.01 0.14 -0.06 -0.22 0.00 0.00 0.00 179.25 179.12 1xbl h LYS 46 N 0.64 0.76 -0.94 0.00 1.63 0.89 -0.78 116.57 118.78 1xbl h LYS 46 Ca 0.26 -0.27 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 1xbl h LYS 46 Cb 0.23 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.72 1xbl h LYS 46 CO -0.08 0.87 0.60 0.35 -3.45 0.00 0.00 179.45 177.74 1xbl h PHE 47 N 0.58 0.94 -0.22 1.91 3.57 -0.18 -1.33 116.94 122.21 1xbl h PHE 47 Ca 0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1xbl h PHE 47 Cb 0.57 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1xbl h PHE 47 CO 0.05 0.34 0.13 0.87 -2.23 0.00 0.00 178.31 177.46 1xbl h LYS 48 N 0.79 0.29 -0.17 1.11 1.57 -0.23 0.25 116.57 120.18 1xbl h LYS 48 Ca 0.47 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1xbl h LYS 48 Cb 0.67 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1xbl h LYS 48 CO -0.24 0.21 -0.02 0.93 -0.57 0.00 0.00 179.45 179.76 1xbl h GLU 49 N 0.30 0.03 -0.65 3.15 5.08 -1.02 -0.11 114.58 121.37 1xbl h GLU 49 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1xbl h GLU 49 Cb -0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1xbl h GLU 49 CO -0.01 0.02 0.40 0.82 -1.00 0.00 0.00 179.01 179.24 1xbl h ILE 50 N 0.03 1.18 0.39 3.13 2.04 -0.59 -0.47 117.51 123.22 1xbl h ILE 50 Ca 0.08 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1xbl h ILE 50 Cb 0.11 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1xbl h ILE 50 CO -0.15 0.18 -0.52 0.50 0.00 0.00 0.00 178.15 178.16 1xbl h LYS 51 N 0.88 -0.90 -0.03 2.37 3.64 -0.33 0.67 116.57 122.86 1xbl h LYS 51 Ca 0.23 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1xbl h LYS 51 Cb -0.05 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xbl h LYS 51 CO -0.05 -0.60 -0.02 1.49 -2.27 0.00 0.00 179.45 178.00 1xbl h GLU 52 N -0.94 -0.03 -0.02 1.90 4.57 -0.69 0.22 114.58 119.60 1xbl h GLU 52 Ca -0.05 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1xbl h GLU 52 Cb 0.85 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.39 1xbl h GLU 52 CO -0.14 -0.02 -0.47 0.00 -1.18 0.00 0.00 179.01 177.20 1xbl h ALA 53 N 1.00 -0.79 -0.86 2.92 0.00 -1.06 -0.96 119.26 119.52 1xbl h ALA 53 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xbl h ALA 53 Cb 0.06 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xbl h ALA 53 CO -0.05 -1.02 0.56 -0.92 0.00 0.00 0.00 179.25 177.82 1xbl h TYR 54 N -0.61 1.06 -0.22 0.00 3.20 -0.28 0.10 116.97 120.23 1xbl h TYR 54 Ca 0.04 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1xbl h TYR 54 Cb 0.69 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1xbl h TYR 54 CO -0.48 0.65 0.01 1.49 -1.64 0.00 0.00 178.16 178.19 1xbl h GLU 55 N 1.13 0.08 0.51 1.82 4.81 -0.13 0.19 114.58 122.99 1xbl h GLU 55 Ca 0.33 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1xbl h GLU 55 Cb -0.08 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xbl h GLU 55 CO -0.09 0.06 -0.25 0.28 -0.73 0.00 0.00 179.01 178.28 1xbl h VAL 56 N 0.09 0.43 -0.81 0.32 2.07 -0.51 -2.89 116.25 114.95 1xbl h VAL 56 Ca 0.10 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1xbl h VAL 56 Cb 0.12 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1xbl h VAL 56 CO -0.16 0.05 0.50 -0.07 0.02 0.00 0.00 177.57 177.91 1xbl h LEU 57 N -0.89 0.96 -1.81 2.57 3.38 -0.53 0.10 115.31 119.09 1xbl h LEU 57 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xbl h LEU 57 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xbl h LEU 57 CO 0.12 0.73 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1xbl n THR 58 N -4.48 0.95 -2.00 0.22 -2.24 0.03 -4.78 114.28 101.98 1xbl n THR 58 Ca 0.08 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1xbl n THR 58 Cb 0.04 -0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.34 0.30 0.00 3.42 2.03 0.02 -5.02 116.55 117.64 1xbl n ASP 59 Ca 0.12 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 54.14 1xbl n ASP 59 Cb 0.53 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 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 -3.07 1.40 -0.00 1.67 7.64 -1.26 -4.64 113.62 115.35 1xbl n SER 60 Ca 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.93 1xbl n SER 60 Cb 0.19 0.23 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1xbl n SER 60 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1xbl h GLN 61 N 0.00 0.00 -0.10 1.43 4.15 -1.97 -3.19 115.11 115.43 1xbl h GLN 61 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1xbl h GLN 61 Cb 0.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1xbl h GLN 61 CO 0.00 0.00 -0.13 1.57 -1.93 0.00 0.00 178.83 178.34 1xbl h LYS 62 N -0.04 0.15 -0.56 1.69 2.10 -1.91 -0.80 116.57 117.21 1xbl h LYS 62 Ca 0.00 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1xbl h LYS 62 Cb 0.00 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.27 1xbl h LYS 62 CO 0.00 0.29 0.35 0.07 -2.00 0.00 0.00 179.45 178.15 1xbl h ARG 63 N 0.15 0.67 -0.25 0.07 -0.00 -1.75 0.37 114.38 113.65 1xbl h ARG 63 Ca 0.03 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 1xbl h ARG 63 Cb 0.32 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.97 30.14 1xbl h ARG 63 CO 0.02 0.44 -0.30 0.00 -0.00 0.00 0.00 179.97 180.13 1xbl h ALA 64 N 1.24 0.37 -0.19 0.08 0.00 -1.15 0.17 119.26 119.78 1xbl h ALA 64 Ca 0.22 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xbl h ALA 64 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1xbl h ALA 64 CO -0.09 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 1xbl h ALA 65 N 0.66 0.07 -0.41 0.00 0.00 -1.24 -2.25 119.26 116.10 1xbl h ALA 65 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xbl h ALA 65 Cb 0.87 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xbl h ALA 65 CO 0.07 -0.52 0.12 -0.92 0.00 0.00 0.00 179.25 178.01 1xbl h TYR 66 N -0.07 0.66 -0.61 0.00 5.03 -0.78 -0.76 116.97 120.45 1xbl h TYR 66 Ca 0.10 -0.07 0.12 0.00 2.58 0.00 0.00 58.73 61.47 1xbl h TYR 66 Cb 0.22 -0.19 -0.11 0.00 1.55 0.00 0.00 36.73 38.20 1xbl h TYR 66 CO -0.24 0.62 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.65 1xbl h ASP 67 N 0.52 -0.50 0.51 -2.11 3.32 -0.47 0.25 116.42 117.94 1xbl h ASP 67 Ca 0.13 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1xbl h ASP 67 Cb 0.27 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1xbl h ASP 67 CO -0.00 -0.18 -0.24 1.56 -1.72 0.00 0.00 179.24 178.65 1xbl h GLN 68 N 0.02 -0.66 -1.28 3.56 7.50 -1.09 -3.43 115.11 119.73 1xbl h GLN 68 Ca 0.30 0.04 -0.27 0.00 0.50 0.00 0.00 58.65 59.22 1xbl h GLN 68 Cb 0.46 0.15 -0.22 0.00 0.05 0.00 0.00 27.48 27.93 1xbl h GLN 68 CO -0.60 -0.44 -0.62 0.66 -1.50 0.00 0.00 178.83 176.33 1xbl n TYR 69 N -4.74 -3.03 -1.41 2.96 4.01 -0.32 -5.09 117.16 109.54 1xbl n TYR 69 Ca -0.08 -1.91 -0.54 0.00 -0.16 0.00 0.00 57.90 55.21 1xbl n TYR 69 Cb 0.27 1.16 -0.09 0.00 -0.31 0.00 0.00 39.34 40.37 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xbl n GLY 70 N 2.79 0.33 3.96 2.72 0.00 0.05 -1.74 105.19 113.30 1xbl n GLY 70 Ca 0.20 0.99 -0.28 0.00 0.00 0.00 0.00 46.02 46.93 1xbl n GLY 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xbl n HIS 71 N 8.72 -1.63 -2.68 1.61 -0.00 -1.26 -4.73 115.22 115.25 1xbl n HIS 71 Ca 0.44 0.65 -0.04 0.00 -0.00 0.00 0.00 57.72 58.76 1xbl n HIS 71 Cb 0.14 -3.54 0.11 0.00 -0.00 0.00 0.00 29.99 26.69 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 1.50 0.00 1.57 0.00 -0.71 -4.98 120.51 113.46 1xbl n ALA 72 Ca -0.27 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1xbl n ALA 72 Cb 0.67 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.95 0.69 -3.19 0.00 0.00 -1.24 -4.81 120.51 111.00 1xbl n ALA 73 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1xbl n ALA 73 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.49 -0.27 -0.76 0.00 7.35 -1.26 -4.90 117.46 117.14 1xbl n PHE 74 Ca 0.00 -3.59 0.05 0.00 -0.76 0.00 0.00 57.45 53.16 1xbl n PHE 74 Cb 0.00 -0.36 0.08 0.00 0.35 0.00 0.00 39.48 39.55 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 1.32 1.73 0.00 -4.13 -0.58 -1.26 -5.18 120.64 112.54 1xbl n GLU 75 Ca 0.21 -2.00 0.14 0.00 -0.42 0.00 0.00 57.16 55.09 1xbl n GLU 75 Cb 0.54 -1.21 0.43 0.00 -0.57 0.00 0.00 31.44 30.63 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59