#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n GLY 5 N 0.00 0.57 3.53 -0.02 0.00 -1.26 -5.06 105.19 102.95 3abl n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3abl n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3abl s VAL 6 N -2.00 4.75 0.66 1.61 1.01 -1.26 -5.08 120.40 120.09 3abl s VAL 6 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3abl s VAL 6 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 3abl s VAL 6 CO 0.00 0.32 1.27 -2.16 0.00 0.00 0.00 175.10 174.53 3abl s PRO 7 N 1.48 2.50 0.47 2.72 0.04 -1.26 -5.03 135.00 135.91 3abl s PRO 7 Ca 0.06 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 3abl s PRO 7 Cb -0.15 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3abl s PRO 7 CO 0.06 -1.62 0.70 0.95 0.04 0.00 0.00 177.00 177.13 3abl s THR 8 N -1.53 4.11 0.22 1.26 -4.23 -1.26 -4.99 115.64 109.23 3abl s THR 8 Ca 0.81 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.88 3abl s THR 8 Cb -0.35 -3.54 0.17 0.00 1.34 0.00 0.00 72.50 70.12 3abl s THR 8 CO 0.40 -0.41 1.79 0.44 -0.54 0.00 0.00 174.62 176.30 3abl h ASP 9 N 0.33 0.53 -0.61 3.99 3.32 -1.96 -1.15 116.42 120.87 3abl h ASP 9 Ca -0.46 0.05 0.09 0.00 0.02 0.00 0.00 57.03 56.73 3abl h ASP 9 Cb 1.25 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 3abl h ASP 9 CO 0.58 0.31 0.23 -0.08 -1.72 0.00 0.00 179.24 178.56 3abl h GLU 10 N 0.66 0.39 -0.51 3.56 4.57 -1.95 0.22 114.58 121.52 3abl h GLU 10 Ca 0.34 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 3abl h GLU 10 Cb 0.31 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3abl h GLU 10 CO -0.24 0.26 0.04 0.93 -1.18 0.00 0.00 179.01 178.83 3abl h GLU 11 N 0.41 0.88 0.00 1.92 5.08 -1.86 -3.41 114.58 117.59 3abl h GLU 11 Ca 0.31 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3abl h GLU 11 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3abl h GLU 11 CO -0.31 0.89 -0.64 0.94 -1.00 0.00 0.00 179.01 178.89 3abl n GLN 12 N -4.35 2.05 -1.62 2.33 7.27 -0.47 -4.99 117.38 117.60 3abl n GLN 12 Ca 0.01 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.67 3abl n GLN 12 Cb 0.29 -0.81 0.02 0.00 2.41 0.00 0.00 30.24 32.15 3abl n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3abl n ALA 13 N -1.02 0.36 -4.09 1.69 0.00 0.69 -5.00 120.51 113.13 3abl n ALA 13 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 3abl n ALA 13 Cb 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 3abl n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3abl n THR 14 N -0.58 0.00 -0.10 0.00 5.66 -1.26 -4.70 114.28 113.30 3abl n THR 14 Ca 0.09 -2.11 0.00 0.00 -3.05 0.00 0.00 64.05 58.98 3abl n THR 14 Cb 0.40 1.06 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 3abl n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3abl n GLY 15 N -0.55 1.87 0.26 1.09 0.00 -1.26 -1.11 105.19 105.49 3abl n GLY 15 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 3abl n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3abl h LEU 16 N 0.00 0.71 -0.46 0.99 5.85 -1.99 -2.05 115.31 118.36 3abl h LEU 16 Ca 0.00 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3abl h LEU 16 Cb 0.00 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 40.74 3abl h LEU 16 CO 0.00 0.93 -0.30 -0.08 -0.34 0.00 0.00 178.44 178.65 3abl h GLU 17 N 0.62 -0.19 -0.57 1.25 4.81 -1.91 -1.44 114.58 117.15 3abl h GLU 17 Ca 0.09 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3abl h GLU 17 Cb 0.72 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 3abl h GLU 17 CO 0.06 -0.13 0.27 -0.09 -0.73 0.00 0.00 179.01 178.38 3abl h ARG 18 N -0.20 0.49 -0.67 1.92 2.43 -0.45 -2.55 114.38 115.36 3abl h ARG 18 Ca 0.20 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3abl h ARG 18 Cb 0.52 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3abl h ARG 18 CO -0.57 0.32 0.42 0.93 -1.51 0.00 0.00 179.97 179.55 3abl h GLU 19 N 0.50 0.79 -0.27 0.20 5.08 -1.11 0.12 114.58 119.89 3abl h GLU 19 Ca 0.26 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3abl h GLU 19 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3abl h GLU 19 CO -0.21 0.52 -0.11 0.28 -1.00 0.00 0.00 179.01 178.50 3abl h VAL 20 N 0.82 1.29 -0.73 3.13 2.07 -1.11 -0.47 116.25 121.24 3abl h VAL 20 Ca 0.27 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3abl h VAL 20 Cb 0.02 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3abl h VAL 20 CO -0.10 0.37 0.30 -0.03 0.02 0.00 0.00 177.57 178.13 3abl h MET 21 N 0.30 1.09 0.04 1.57 1.85 -1.07 -1.27 114.93 117.44 3abl h MET 21 Ca 0.06 -0.19 -0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3abl h MET 21 Cb 0.61 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.46 3abl h MET 21 CO 0.04 0.88 -0.02 -0.07 -0.40 0.00 0.00 176.91 177.34 3abl h LEU 22 N 1.05 -0.05 -0.86 3.39 3.38 -0.27 -2.78 115.31 119.17 3abl h LEU 22 Ca 0.25 -0.47 0.22 0.00 0.09 0.00 0.00 57.88 57.96 3abl h LEU 22 Cb 0.19 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 3abl h LEU 22 CO -0.02 0.46 0.25 0.00 0.09 0.00 0.00 178.44 179.21 3abl h ALA 23 N 0.33 1.23 -0.06 1.53 0.00 -1.09 0.58 119.26 121.79 3abl h ALA 23 Ca -0.01 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3abl h ALA 23 Cb 0.52 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3abl h ALA 23 CO 0.01 -0.42 -0.19 0.00 0.00 0.00 0.00 179.25 178.65 3abl h ALA 24 N 1.74 1.58 -0.49 0.00 0.00 -1.11 -0.64 119.26 120.34 3abl h ALA 24 Ca 0.53 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3abl h ALA 24 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3abl h ALA 24 CO -0.61 0.31 0.06 -0.09 0.00 0.00 0.00 179.25 178.92 3abl h ARG 25 N 0.09 0.82 0.00 0.00 2.43 -0.61 -1.69 114.38 115.41 3abl h ARG 25 Ca 0.02 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3abl h ARG 25 Cb 0.39 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3abl h ARG 25 CO 0.03 0.84 0.00 1.63 -1.51 0.00 0.00 179.97 180.95 3abl n LYS 26 N -4.40 0.47 -2.22 0.20 5.02 -0.79 -4.93 118.16 111.50 3abl n LYS 26 Ca 0.01 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3abl n LYS 26 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3abl n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abl n GLY 27 N 0.58 -0.03 3.79 0.72 0.00 -0.64 -5.05 105.19 104.56 3abl n GLY 27 Ca 0.13 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 3abl n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3abl s GLN 28 N -4.54 2.90 -0.47 1.61 -0.21 -0.31 -4.99 119.66 113.63 3abl s GLN 28 Ca 0.01 -0.81 0.09 0.00 0.02 0.00 0.00 55.36 54.67 3abl s GLN 28 Cb -0.00 -2.68 0.35 0.00 1.00 0.00 0.00 33.01 31.68 3abl s GLN 28 CO 0.01 0.51 0.85 -3.47 -2.12 0.00 0.00 175.29 171.07 3abl n ASP 29 N -0.07 2.70 0.30 5.90 2.03 -1.26 -3.93 116.55 122.23 3abl n ASP 29 Ca -0.08 -3.35 0.19 0.00 0.52 0.00 0.00 54.79 52.06 3abl n ASP 29 Cb 0.54 -0.59 1.02 0.00 -0.72 0.00 0.00 41.12 41.37 3abl n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3abl h PRO 30 N 2.98 0.00 -0.18 -0.67 0.13 -1.95 -2.53 132.00 129.78 3abl h PRO 30 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3abl h PRO 30 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3abl h PRO 30 CO 0.66 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.09 3abl n TYR 31 N -3.48 0.50 -3.65 1.56 4.02 -1.26 -4.98 117.16 109.87 3abl n TYR 31 Ca -0.02 -0.78 -0.25 0.00 -0.01 0.00 0.00 57.90 56.83 3abl n TYR 31 Cb 0.13 -0.18 0.07 0.00 -0.02 0.00 0.00 39.34 39.34 3abl n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3abl n ASN 32 N -0.53 -6.12 0.06 7.72 3.02 -0.95 -4.90 115.26 113.56 3abl n ASN 32 Ca 0.15 -0.58 -0.10 0.00 -0.03 0.00 0.00 54.58 54.02 3abl n ASN 32 Cb 0.66 -4.86 0.01 0.00 -0.61 0.00 0.00 39.78 34.97 3abl n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3abl h ILE 33 N -2.62 1.41 -2.22 2.41 2.04 -1.94 -3.46 117.51 113.13 3abl h ILE 33 Ca -0.57 -2.30 -0.48 0.00 1.00 0.00 0.00 64.86 62.51 3abl h ILE 33 Cb 1.37 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 3abl h ILE 33 CO 0.58 0.69 -0.46 -0.76 0.00 0.00 0.00 178.15 178.20 3abl s LEU 34 N -7.80 4.19 -0.16 1.44 1.43 -1.26 -5.08 118.68 111.45 3abl s LEU 34 Ca -0.05 -0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 3abl s LEU 34 Cb 0.10 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3abl s LEU 34 CO 0.84 -0.05 0.79 0.00 0.23 0.00 0.00 176.35 178.16 3abl s ALA 35 N -2.00 3.49 0.32 4.21 0.00 -1.26 -5.04 121.76 121.48 3abl s ALA 35 Ca 0.34 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 3abl s ALA 35 Cb -0.09 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3abl s ALA 35 CO 0.28 -0.56 1.35 -1.25 0.00 0.00 0.00 175.76 175.58 3abl s PRO 36 N 1.91 4.32 0.21 0.00 0.04 -1.26 -5.01 135.00 135.21 3abl s PRO 36 Ca 0.37 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3abl s PRO 36 Cb -0.17 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 3abl s PRO 36 CO 0.13 -0.26 0.99 0.21 0.04 0.00 0.00 177.00 178.11 3abl s LYS 37 N -1.56 4.75 0.45 4.56 2.47 -1.26 -5.04 119.74 124.10 3abl s LYS 37 Ca 0.51 1.57 -0.22 0.00 -1.56 0.00 0.00 55.97 56.27 3abl s LYS 37 Cb -0.41 -3.29 -0.08 0.00 -1.46 0.00 0.00 37.83 32.59 3abl s LYS 37 CO 0.52 0.33 1.06 0.00 0.16 0.00 0.00 175.35 177.43 3abl s ALA 38 N -0.75 2.95 0.85 3.13 0.00 -1.26 -5.02 121.76 121.66 3abl s ALA 38 Ca 0.44 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3abl s ALA 38 Cb -0.27 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3abl s ALA 38 CO 0.33 -0.34 0.00 0.25 0.00 0.00 0.00 175.76 176.00 3abl n THR 39 N -0.60 0.00 0.59 0.00 -2.24 -1.26 -4.96 114.28 105.80 3abl n THR 39 Ca 0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3abl n THR 39 Cb 0.51 -1.83 0.42 0.00 -2.10 0.00 0.00 70.33 67.33 3abl n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3abl n SER 40 N 0.00 0.78 -0.54 3.42 3.41 -1.26 -4.94 113.62 114.50 3abl n SER 40 Ca 0.00 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 59.14 3abl n SER 40 Cb 0.00 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.13 3abl n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abl n GLY 41 N 1.06 0.86 3.94 5.00 0.00 -1.01 -4.96 105.19 110.07 3abl n GLY 41 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3abl n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abl s THR 42 N -2.26 2.38 0.40 2.61 -4.23 -1.12 -0.13 115.64 113.29 3abl s THR 42 Ca 0.00 -0.31 0.13 0.00 -1.18 0.00 0.00 61.69 60.32 3abl s THR 42 Cb 0.00 -3.02 0.34 0.00 1.34 0.00 0.00 72.50 71.16 3abl s THR 42 CO 0.00 -0.02 1.91 0.50 -0.54 0.00 0.00 174.62 176.47 3abl h LYS 43 N -0.49 0.51 0.00 3.99 3.64 -1.94 -1.75 116.57 120.53 3abl h LYS 43 Ca -0.44 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 3abl h LYS 43 Cb 1.31 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3abl h LYS 43 CO 0.59 0.34 -0.97 0.93 -2.27 0.00 0.00 179.45 178.07 3abl h GLU 44 N 0.53 0.00 -2.09 1.90 3.07 -2.01 -3.37 114.58 112.60 3abl h GLU 44 Ca 0.38 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.71 3abl h GLU 44 Cb 0.74 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.24 3abl h GLU 44 CO -0.14 0.16 -1.00 -3.47 -1.40 0.00 0.00 179.01 173.16 3abl n ASP 45 N -2.87 1.87 -4.81 1.42 4.64 -0.91 -5.12 116.55 110.77 3abl n ASP 45 Ca -0.03 -3.16 -0.32 0.00 -1.38 0.00 0.00 54.79 49.90 3abl n ASP 45 Cb 0.67 -0.61 0.02 0.00 -1.04 0.00 0.00 41.12 40.16 3abl n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3abl s PRO 46 N -2.51 3.20 0.12 -0.67 0.04 -0.71 -2.42 135.00 132.07 3abl s PRO 46 Ca 0.41 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 3abl s PRO 46 Cb 0.29 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 3abl s PRO 46 CO -0.09 -0.90 1.51 -0.80 0.04 0.00 0.00 177.00 176.76 3abl s ASN 47 N -3.06 6.68 -0.34 6.66 0.01 0.12 -4.80 114.94 120.21 3abl s ASN 47 Ca 0.62 2.47 -0.16 0.00 -0.71 0.00 0.00 52.86 55.08 3abl s ASN 47 Cb -0.15 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 3abl s ASN 47 CO 0.42 -0.77 0.43 -0.76 -1.51 0.00 0.00 177.10 174.91 3abl s LEU 48 N 1.43 4.36 -0.38 0.60 1.02 -1.26 0.13 118.68 124.59 3abl s LEU 48 Ca 0.68 -0.08 -0.06 0.00 0.02 0.00 0.00 54.13 54.69 3abl s LEU 48 Cb -0.40 -2.46 0.07 0.00 0.02 0.00 0.00 46.19 43.42 3abl s LEU 48 CO 0.31 -0.39 0.17 -0.69 0.02 0.00 0.00 176.35 175.77 3abl s VAL 49 N 2.19 3.76 0.64 -1.59 1.01 -0.18 -4.93 120.40 121.30 3abl s VAL 49 Ca 0.15 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 3abl s VAL 49 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 3abl s VAL 49 CO 0.12 -0.38 1.13 -2.84 0.00 0.00 0.00 175.10 173.13 3abl s PRO 50 N 1.35 2.88 -0.10 2.72 0.02 -1.26 -0.85 135.00 139.75 3abl s PRO 50 Ca 0.01 1.49 -0.22 0.00 0.02 0.00 0.00 61.00 62.31 3abl s PRO 50 Cb -0.21 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.41 3abl s PRO 50 CO 0.01 -1.21 0.53 0.45 -0.33 0.00 0.00 177.00 176.45 3abl s SER 51 N -2.30 -0.50 0.00 2.53 0.15 -1.02 -4.85 113.70 107.70 3abl s SER 51 Ca 0.69 0.71 0.29 0.00 0.70 0.00 0.00 55.95 58.34 3abl s SER 51 Cb -0.22 0.71 1.28 0.00 -1.71 0.00 0.00 66.02 66.08 3abl s SER 51 CO 0.38 -0.40 1.90 2.30 1.20 0.00 0.00 173.24 178.62 3abl n ILE 52 N 1.75 0.00 -2.58 6.45 -6.64 -1.26 -2.08 119.36 114.99 3abl n ILE 52 Ca -0.18 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 60.76 3abl n ILE 52 Cb 0.56 -0.20 0.00 0.00 -1.44 0.00 0.00 39.64 38.56 3abl n ILE 52 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 3abl n THR 53 N -1.07 0.00 0.22 7.28 -2.24 -1.26 -4.97 114.28 112.23 3abl n THR 53 Ca 0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 3abl n THR 53 Cb 0.27 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.87 3abl n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3abl h ASN 54 N 0.00 0.00 -4.08 3.42 2.35 -1.96 -3.43 115.58 111.88 3abl h ASN 54 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3abl h ASN 54 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 3abl h ASN 54 CO 0.00 0.16 0.26 -1.59 -1.65 0.00 0.00 177.43 174.61 3abl s LYS 55 N -3.44 0.79 0.00 0.81 -2.85 -1.26 -1.22 119.74 112.58 3abl s LYS 55 Ca 0.03 0.64 0.01 0.00 -1.00 0.00 0.00 55.97 55.66 3abl s LYS 55 Cb 0.08 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 3abl s LYS 55 CO 0.64 -0.16 -0.04 0.50 0.10 0.00 0.00 175.35 176.39 3abl s ARG 56 N -0.19 0.34 0.09 1.78 3.52 0.08 -4.94 118.95 119.63 3abl s ARG 56 Ca -0.02 -0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 3abl s ARG 56 Cb -0.03 -0.30 -0.07 0.00 -1.56 0.00 0.00 34.95 32.99 3abl s ARG 56 CO 0.02 0.08 1.36 0.42 -0.81 0.00 0.00 175.30 176.37 3abl s ILE 57 N -0.23 3.50 -0.11 4.11 1.01 -1.26 0.12 121.20 128.35 3abl s ILE 57 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 3abl s ILE 57 Cb -0.02 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 3abl s ILE 57 CO -0.00 0.07 -0.01 -0.69 0.00 0.00 0.00 174.94 174.30 3abl s VAL 58 N 1.33 4.16 -0.13 2.92 1.01 0.86 -4.90 120.40 125.64 3abl s VAL 58 Ca 0.64 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3abl s VAL 58 Cb -0.35 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3abl s VAL 58 CO 0.29 0.57 0.00 -0.83 0.00 0.00 0.00 175.10 175.13 3abl s GLY 59 N -0.50 1.82 -0.22 4.51 0.00 -1.26 -1.50 107.32 110.17 3abl s GLY 59 Ca 0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 3abl s GLY 59 CO 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 173.10 172.83 3abl s ILE 61 N 1.46 5.25 0.25 0.00 1.01 -1.26 -1.68 121.20 126.23 3abl s ILE 61 Ca 0.06 -1.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.03 3abl s ILE 61 Cb -0.14 -4.39 0.07 0.00 0.01 0.00 0.00 42.46 38.01 3abl s ILE 61 CO -0.03 -0.94 1.70 0.00 0.00 0.00 0.00 174.94 175.66 3abl s GLU 63 N -4.71 0.49 0.26 0.00 2.02 -1.26 -5.05 118.70 110.46 3abl s GLU 63 Ca -0.09 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 3abl s GLU 63 Cb 0.14 -0.15 -0.13 0.00 0.10 0.00 0.00 34.13 34.09 3abl s GLU 63 CO 0.81 0.01 1.44 -1.91 0.02 0.00 0.00 175.26 175.64 3abl n GLU 64 N 1.34 2.20 -0.67 1.61 2.13 -1.26 -1.35 120.64 124.64 3abl n GLU 64 Ca -0.22 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3abl n GLU 64 Cb 0.55 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.80 3abl n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3abl n ASP 65 N 2.01 0.00 -4.64 4.31 10.43 -1.26 -4.98 116.55 122.42 3abl n ASP 65 Ca 0.10 0.00 -0.47 0.00 2.57 0.00 0.00 54.79 57.00 3abl n ASP 65 Cb 0.33 -0.47 -0.03 0.00 1.84 0.00 0.00 41.12 42.79 3abl n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3abl n ASN 66 N 0.00 2.29 0.08 -2.24 4.13 -0.45 -4.88 115.26 114.19 3abl n ASN 66 Ca 0.00 1.13 0.06 0.00 1.68 0.00 0.00 54.58 57.45 3abl n ASN 66 Cb 0.00 -1.35 -0.02 0.00 -1.54 0.00 0.00 39.78 36.87 3abl n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3abl h SER 67 N 4.17 0.00 -3.18 6.41 4.64 -1.93 -3.45 113.55 120.20 3abl h SER 67 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.32 3abl h SER 67 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 3abl h SER 67 CO 0.76 0.27 0.63 -0.89 -0.87 0.00 0.00 176.83 176.73 3abl s THR 68 N -3.15 4.59 -0.04 2.95 2.01 -1.26 -5.05 115.64 115.70 3abl s THR 68 Ca -0.01 1.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 3abl s THR 68 Cb 0.09 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3abl s THR 68 CO 0.79 -0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 174.08 3abl s VAL 69 N 2.18 4.66 -0.27 3.82 1.01 -1.26 -4.67 120.40 125.87 3abl s VAL 69 Ca 0.51 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 3abl s VAL 69 Cb -0.20 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3abl s VAL 69 CO 0.19 0.45 0.15 -0.63 0.00 0.00 0.00 175.10 175.26 3abl s ILE 70 N -1.08 4.93 -0.01 2.22 -1.09 -0.68 -4.89 121.20 120.60 3abl s ILE 70 Ca 0.19 0.00 0.05 0.00 -2.23 0.00 0.00 60.65 58.66 3abl s ILE 70 Cb -0.12 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 3abl s ILE 70 CO 0.09 0.26 -0.14 0.26 -1.23 0.00 0.00 174.94 174.18 3abl s TRP 71 N 1.70 2.69 -0.18 3.97 0.52 -1.26 0.92 118.94 127.30 3abl s TRP 71 Ca 0.07 -0.17 -0.28 0.00 0.02 0.00 0.00 56.10 55.73 3abl s TRP 71 Cb -0.16 -1.57 0.11 0.00 -1.15 0.00 0.00 33.47 30.70 3abl s TRP 71 CO 0.08 0.24 0.91 -0.59 0.02 0.00 0.00 176.95 177.61 3abl s PHE 72 N -0.83 -0.50 -0.04 -1.98 -0.12 -0.57 -4.99 117.98 108.95 3abl s PHE 72 Ca 0.13 1.01 -0.30 0.00 -0.05 0.00 0.00 56.93 57.72 3abl s PHE 72 Cb -0.11 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3abl s PHE 72 CO 0.03 -0.37 1.32 -1.58 -0.05 0.00 0.00 175.22 174.57 3abl s TRP 73 N -0.61 2.94 -0.20 3.49 0.52 -1.26 -0.10 118.94 123.71 3abl s TRP 73 Ca -0.02 0.96 -0.15 0.00 0.02 0.00 0.00 56.10 56.91 3abl s TRP 73 Cb -0.02 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.69 3abl s TRP 73 CO 0.01 -2.00 0.35 -1.17 0.02 0.00 0.00 176.95 174.16 3abl s LEU 74 N 2.52 4.16 0.07 2.99 2.96 0.33 -4.91 118.68 126.79 3abl s LEU 74 Ca 0.60 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3abl s LEU 74 Cb -0.28 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3abl s LEU 74 CO 0.24 -0.03 0.18 -1.00 -1.32 0.00 0.00 176.35 174.41 3abl s HIS 75 N 1.17 3.42 0.40 5.38 3.76 -1.26 -0.74 115.29 127.42 3abl s HIS 75 Ca 0.17 0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 55.01 3abl s HIS 75 Cb -0.14 -1.71 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 3abl s HIS 75 CO 0.07 0.57 1.22 1.17 -0.85 0.00 0.00 174.74 176.91 3abl n LYS 76 N 0.29 1.83 0.00 1.40 4.81 -0.36 -4.41 118.16 121.72 3abl n LYS 76 Ca -0.06 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3abl n LYS 76 Cb 0.51 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3abl n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3abl n GLY 77 N 0.89 0.25 3.69 3.14 0.00 -1.26 -5.03 105.19 106.87 3abl n GLY 77 Ca 0.07 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3abl n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3abl n GLU 78 N 0.00 2.01 -1.52 1.61 2.13 -1.26 -4.69 120.64 118.91 3abl n GLU 78 Ca 0.00 0.71 -0.38 0.00 0.66 0.00 0.00 57.16 58.14 3abl n GLU 78 Cb 0.00 -2.31 0.04 0.00 0.27 0.00 0.00 31.44 29.44 3abl n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3abl n ALA 79 N 0.14 -0.66 -2.56 4.31 0.00 -1.26 -4.93 120.51 115.56 3abl n ALA 79 Ca 0.06 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 3abl n ALA 79 Cb 0.37 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3abl n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3abl s GLN 80 N -2.27 2.05 0.04 0.00 -0.21 -0.20 -4.94 119.66 114.13 3abl s GLN 80 Ca 0.70 -1.64 0.08 0.00 0.02 0.00 0.00 55.36 54.52 3abl s GLN 80 Cb -0.45 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 3abl s GLN 80 CO 0.52 0.26 -0.21 1.03 -2.12 0.00 0.00 175.29 174.78 3abl s ARG 81 N -3.65 2.00 0.02 2.91 0.52 -1.26 -0.05 118.95 119.44 3abl s ARG 81 Ca 0.32 -1.01 -0.34 0.00 -0.52 0.00 0.00 55.73 54.18 3abl s ARG 81 Cb -0.03 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.18 3abl s ARG 81 CO 0.18 0.53 1.77 0.00 0.02 0.00 0.00 175.30 177.81 3abl n PRO 83 N 5.42 0.13 -0.11 0.00 -0.02 -1.26 -0.73 135.00 138.42 3abl n PRO 83 Ca 0.20 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 62.05 3abl n PRO 83 Cb 0.30 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 3abl n PRO 83 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3abl n SER 84 N -2.12 2.21 -0.08 2.55 2.88 -1.26 -4.73 113.62 113.07 3abl n SER 84 Ca 0.00 -0.11 0.02 0.00 -1.33 0.00 0.00 58.87 57.45 3abl n SER 84 Cb 0.10 -0.37 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 3abl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abl n GLY 86 N 0.70 1.10 3.74 0.00 0.00 0.09 -4.92 105.19 105.89 3abl n GLY 86 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3abl n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abl s THR 87 N -2.95 2.22 -0.06 2.61 -4.23 -1.26 -4.33 115.64 107.64 3abl s THR 87 Ca 0.00 0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3abl s THR 87 Cb 0.00 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3abl s THR 87 CO 0.00 -0.03 0.27 -1.00 -0.54 0.00 0.00 174.62 173.32 3abl s HIS 88 N -1.44 3.66 -0.00 3.99 0.09 0.81 -0.50 115.29 121.89 3abl s HIS 88 Ca 0.80 0.74 0.04 0.00 -0.00 0.00 0.00 55.06 56.65 3abl s HIS 88 Cb -0.36 -2.10 -0.01 0.00 -0.00 0.00 0.00 32.58 30.11 3abl s HIS 88 CO 0.38 0.69 -0.14 0.71 -0.00 0.00 0.00 174.74 176.38 3abl s TYR 89 N -1.07 1.24 -0.06 1.40 2.02 0.93 -0.70 117.35 121.11 3abl s TYR 89 Ca 0.20 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3abl s TYR 89 Cb -0.14 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 3abl s TYR 89 CO 0.09 -0.01 -0.10 0.21 -1.57 0.00 0.00 175.55 174.17 3abl s LYS 90 N -0.41 1.46 0.24 -0.62 2.20 0.12 -1.04 119.74 121.69 3abl s LYS 90 Ca 0.05 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 3abl s LYS 90 Cb -0.06 -1.25 -0.09 0.00 -1.51 0.00 0.00 37.83 34.93 3abl s LYS 90 CO -0.00 -0.00 1.13 -1.17 -0.36 0.00 0.00 175.35 174.95 3abl s LEU 91 N 0.72 4.51 -0.41 5.43 2.96 -1.26 -1.01 118.68 129.63 3abl s LEU 91 Ca -0.14 2.24 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 3abl s LEU 91 Cb -0.15 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.04 3abl s LEU 91 CO 0.03 -0.23 0.19 0.68 -1.32 0.00 0.00 176.35 175.70 3abl s VAL 92 N -0.72 1.59 -0.37 1.68 -7.23 -0.03 -4.68 120.40 110.64 3abl s VAL 92 Ca 0.47 -2.40 -0.35 0.00 -1.81 0.00 0.00 61.98 57.90 3abl s VAL 92 Cb -0.32 -2.14 -0.11 0.00 0.56 0.00 0.00 36.38 34.37 3abl s VAL 92 CO 0.39 -0.79 2.21 -2.65 -0.31 0.00 0.00 175.10 173.95 3abl n PRO 93 N 3.85 1.08 0.00 4.82 -0.02 -1.26 -2.44 135.00 141.03 3abl n PRO 93 Ca 0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3abl n PRO 93 Cb 0.37 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3abl n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3abl n HIS 94 N 10.16 0.00 0.00 6.00 -0.00 -0.89 -4.92 115.22 125.57 3abl n HIS 94 Ca 0.41 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.59 3abl n HIS 94 Cb 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 3abl n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3abl n GLN 95 N 0.00 0.00 0.00 1.57 -0.06 -1.26 -4.87 117.38 112.76 3abl n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3abl n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3abl n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75