#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 0.52 3.48 -0.02 0.00 -1.26 -5.08 105.19 102.83 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 -2.24 4.60 0.84 1.61 1.01 -1.26 -5.09 120.40 119.87 3abl s VAL 6 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3abl s VAL 6 Cb 0.00 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3abl s VAL 6 CO 0.00 0.25 1.15 -0.81 0.00 0.00 0.00 175.10 175.69 3abl n PRO 7 N 4.97 -0.00 -3.21 2.72 -0.04 -1.26 -5.04 135.00 133.13 3abl n PRO 7 Ca -0.15 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 3abl n PRO 7 Cb 0.51 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 3abl n PRO 7 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3abl s THR 8 N -2.26 3.60 0.31 0.52 -4.23 -1.26 -4.97 115.64 107.34 3abl s THR 8 Ca 0.71 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3abl s THR 8 Cb -0.27 -3.25 0.24 0.00 1.34 0.00 0.00 72.50 70.56 3abl s THR 8 CO 0.53 -0.11 1.95 0.44 -0.54 0.00 0.00 174.62 176.90 3abl h ASP 9 N 0.71 0.87 -0.35 3.99 3.32 -1.96 -0.17 116.42 122.83 3abl h ASP 9 Ca -0.44 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.61 3abl h ASP 9 Cb 1.27 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 3abl h ASP 9 CO 0.50 0.66 0.10 -0.08 -1.72 0.00 0.00 179.24 178.71 3abl h GLU 10 N 1.00 0.23 -0.21 3.56 4.57 -1.95 0.24 114.58 122.02 3abl h GLU 10 Ca 0.26 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.26 3abl h GLU 10 Cb -0.05 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3abl h GLU 10 CO -0.05 0.15 -0.56 0.93 -1.18 0.00 0.00 179.01 178.30 3abl h GLU 11 N 0.23 0.66 0.00 1.92 5.08 -1.91 -3.41 114.58 117.16 3abl h GLU 11 Ca 0.16 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3abl h GLU 11 Cb 0.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3abl h GLU 11 CO -0.18 1.04 -0.09 0.94 -1.00 0.00 0.00 179.01 179.72 3abl n GLN 12 N -3.97 4.74 -1.86 2.33 7.27 -0.09 -4.98 117.38 120.82 3abl n GLN 12 Ca -0.04 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.65 3abl n GLN 12 Cb 0.62 -0.43 0.04 0.00 2.41 0.00 0.00 30.24 32.88 3abl n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3abl s ALA 13 N -0.83 2.76 0.30 1.69 0.00 0.81 -5.01 121.76 121.48 3abl s ALA 13 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.23 3abl s ALA 13 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3abl s ALA 13 CO 0.00 -1.29 0.28 -0.08 0.00 0.00 0.00 175.76 174.67 3abl s THR 14 N -1.37 0.00 0.00 0.00 -1.32 -1.26 -4.70 115.64 106.99 3abl s THR 14 Ca 0.72 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 3abl s THR 14 Cb -0.38 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 3abl s THR 14 CO 0.44 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 3abl n GLY 15 N -0.52 1.78 0.37 6.08 0.00 -1.26 -0.73 105.19 110.92 3abl n GLY 15 Ca 0.05 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.05 -0.32 0.99 5.85 -2.00 -2.23 115.31 118.65 3abl h LEU 16 Ca 0.00 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3abl h LEU 16 Cb 0.00 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 3abl h LEU 16 CO 0.00 0.74 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.52 3abl h GLU 17 N 1.23 -0.20 -0.40 1.25 4.81 -1.89 0.03 114.58 119.41 3abl h GLU 17 Ca 0.36 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.64 3abl h GLU 17 Cb -0.08 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3abl h GLU 17 CO -0.09 -0.13 0.16 -0.09 -0.73 0.00 0.00 179.01 178.13 3abl h ARG 18 N -0.21 0.33 -0.87 1.92 2.43 -0.43 -2.06 114.38 115.51 3abl h ARG 18 Ca 0.16 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3abl h ARG 18 Cb 0.46 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3abl h ARG 18 CO -0.44 0.22 0.53 0.93 -1.51 0.00 0.00 179.97 179.70 3abl h GLU 19 N 0.34 0.90 -0.17 0.20 5.08 -0.82 0.23 114.58 120.34 3abl h GLU 19 Ca 0.18 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3abl h GLU 19 Cb 0.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3abl h GLU 19 CO -0.16 0.60 -0.30 0.28 -1.00 0.00 0.00 179.01 178.43 3abl h VAL 20 N 0.93 1.35 -0.64 3.13 2.07 -0.78 -0.51 116.25 121.79 3abl h VAL 20 Ca 0.39 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 3abl h VAL 20 Cb 0.25 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3abl h VAL 20 CO -0.20 0.46 0.23 -0.03 0.02 0.00 0.00 177.57 178.06 3abl h MET 21 N 0.15 0.97 -0.35 1.57 1.85 -0.84 -1.25 114.93 117.02 3abl h MET 21 Ca 0.01 -0.19 -0.16 0.00 -0.61 0.00 0.00 59.70 58.75 3abl h MET 21 Cb 0.89 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.76 3abl h MET 21 CO 0.07 0.83 -0.40 -0.07 -0.40 0.00 0.00 176.91 176.94 3abl h LEU 22 N 0.91 0.93 -0.59 3.39 3.38 -0.45 -2.63 115.31 120.25 3abl h LEU 22 Ca 0.21 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3abl h LEU 22 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3abl h LEU 22 CO -0.01 1.21 0.18 0.00 0.09 0.00 0.00 178.44 179.90 3abl h ALA 23 N 0.83 0.77 -0.52 1.53 0.00 -0.93 -2.17 119.26 118.78 3abl h ALA 23 Ca 0.06 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3abl h ALA 23 Cb 0.98 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3abl h ALA 23 CO 0.09 0.45 0.35 0.00 0.00 0.00 0.00 179.25 180.14 3abl h ALA 24 N 1.05 1.87 0.00 0.00 0.00 -1.16 0.19 119.26 121.21 3abl h ALA 24 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3abl h ALA 24 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3abl h ALA 24 CO -0.00 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.17 3abl h ARG 25 N 0.49 0.00 -0.18 0.00 3.08 -1.01 -1.89 114.38 114.88 3abl h ARG 25 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3abl h ARG 25 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3abl h ARG 25 CO -0.06 0.13 0.00 1.63 -1.07 0.00 0.00 179.97 180.60 3abl n LYS 26 N -4.37 1.62 -1.44 0.04 5.02 -0.16 -4.89 118.16 113.98 3abl n LYS 26 Ca -0.03 -0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 55.21 3abl n LYS 26 Cb 0.20 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.05 1.03 3.82 0.72 0.00 -0.71 -5.03 105.19 106.07 3abl n GLY 27 Ca 0.14 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.15 2.97 -0.47 1.61 -0.21 0.48 -4.96 119.66 115.93 3abl s GLN 28 Ca 0.00 -0.87 0.09 0.00 0.02 0.00 0.00 55.36 54.59 3abl s GLN 28 Cb 0.00 -2.67 0.35 0.00 1.00 0.00 0.00 33.01 31.69 3abl s GLN 28 CO 0.00 0.47 0.84 -3.47 -2.12 0.00 0.00 175.29 171.02 3abl n ASP 29 N -0.54 2.63 0.32 5.90 2.03 -1.26 -3.56 116.55 122.07 3abl n ASP 29 Ca -0.08 -3.33 0.21 0.00 0.52 0.00 0.00 54.79 52.11 3abl n ASP 29 Cb 0.55 -0.59 1.09 0.00 -0.72 0.00 0.00 41.12 41.45 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 -0.31 -0.67 0.13 -1.96 -2.43 132.00 129.75 3abl h PRO 30 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 3abl h PRO 30 Cb 0.75 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 3abl h PRO 30 CO 0.66 0.00 0.01 0.66 -0.23 0.00 0.00 178.00 179.10 3abl n TYR 31 N -3.14 1.06 -3.64 1.56 4.02 -1.26 -4.97 117.16 110.80 3abl n TYR 31 Ca -0.02 -1.03 -0.24 0.00 -0.01 0.00 0.00 57.90 56.60 3abl n TYR 31 Cb 0.12 -0.37 0.07 0.00 -0.02 0.00 0.00 39.34 39.14 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 -0.61 -5.31 0.11 7.72 3.02 -0.92 -4.87 115.26 114.40 3abl n ASN 32 Ca 0.25 -0.61 -0.00 0.00 -0.03 0.00 0.00 54.58 54.19 3abl n ASN 32 Cb 0.95 -4.80 -0.02 0.00 -0.61 0.00 0.00 39.78 35.30 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 -2.46 1.12 -2.38 2.41 2.04 -1.93 -3.46 117.51 112.85 3abl h ILE 33 Ca -0.58 -2.59 -0.51 0.00 1.00 0.00 0.00 64.86 62.18 3abl h ILE 33 Cb 1.37 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.97 3abl h ILE 33 CO 0.57 0.64 -0.49 -0.76 0.00 0.00 0.00 178.15 178.11 3abl s LEU 34 N -6.53 4.09 -0.08 1.44 1.43 -1.26 -5.09 118.68 112.68 3abl s LEU 34 Ca 0.03 -0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 3abl s LEU 34 Cb 0.08 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3abl s LEU 34 CO 0.77 -0.00 0.79 0.00 0.23 0.00 0.00 176.35 178.14 3abl s ALA 35 N -1.91 3.35 0.35 4.21 0.00 -1.26 -5.05 121.76 121.45 3abl s ALA 35 Ca 0.33 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 3abl s ALA 35 Cb -0.09 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 3abl s ALA 35 CO 0.27 -0.28 1.37 -1.25 0.00 0.00 0.00 175.76 175.88 3abl s PRO 36 N 1.20 4.24 0.09 0.00 0.04 -1.26 -5.02 135.00 134.29 3abl s PRO 36 Ca 0.41 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.52 3abl s PRO 36 Cb -0.18 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 3abl s PRO 36 CO 0.19 -0.34 0.86 0.21 0.04 0.00 0.00 177.00 177.96 3abl s LYS 37 N -1.94 4.61 0.42 4.56 2.47 -1.26 -5.06 119.74 123.54 3abl s LYS 37 Ca 0.51 1.26 -0.25 0.00 -1.56 0.00 0.00 55.97 55.93 3abl s LYS 37 Cb -0.42 -3.36 -0.08 0.00 -1.46 0.00 0.00 37.83 32.51 3abl s LYS 37 CO 0.57 0.29 1.26 0.00 0.16 0.00 0.00 175.35 177.62 3abl s ALA 38 N -0.17 3.16 0.66 3.13 0.00 -1.26 -5.00 121.76 122.28 3abl s ALA 38 Ca 0.42 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3abl s ALA 38 Cb -0.22 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3abl s ALA 38 CO 0.27 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.50 3abl n THR 39 N -0.06 0.00 0.49 0.00 -2.24 -1.26 -4.97 114.28 106.24 3abl n THR 39 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3abl n THR 39 Cb 0.45 -1.66 0.46 0.00 -2.10 0.00 0.00 70.33 67.48 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 -2.17 0.73 -0.05 3.42 3.41 -1.26 -4.92 113.62 112.79 3abl n SER 40 Ca 0.00 0.63 -0.01 0.00 -0.26 0.00 0.00 58.87 59.23 3abl n SER 40 Cb 0.00 -0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 0.54 0.46 3.93 5.00 0.00 -1.02 -4.93 105.19 109.16 3abl n GLY 41 Ca 0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.90 2.05 0.39 2.61 -4.23 -1.23 -0.68 115.64 112.65 3abl s THR 42 Ca 0.00 -0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.58 3abl s THR 42 Cb 0.00 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 71.04 3abl s THR 42 CO 0.00 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.50 3abl h LYS 43 N -1.25 0.00 0.00 3.99 3.64 -1.95 -1.62 116.57 119.38 3abl h LYS 43 Ca -0.44 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 3abl h LYS 43 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3abl h LYS 43 CO 0.49 0.26 -0.85 0.93 -2.27 0.00 0.00 179.45 178.01 3abl h GLU 44 N 0.00 0.00 -2.13 1.90 3.07 -2.01 -3.37 114.58 112.04 3abl h GLU 44 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 3abl h GLU 44 Cb 0.50 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.00 3abl h GLU 44 CO 0.03 0.45 -0.91 -3.47 -1.40 0.00 0.00 179.01 173.72 3abl n ASP 45 N -3.11 2.78 -4.80 1.42 4.64 -0.74 -5.11 116.55 111.64 3abl n ASP 45 Ca -0.02 -3.37 -0.32 0.00 -1.38 0.00 0.00 54.79 49.71 3abl n ASP 45 Cb 0.78 -0.59 0.05 0.00 -1.04 0.00 0.00 41.12 40.33 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 -2.99 2.84 0.25 -0.67 0.04 -0.69 -2.44 135.00 131.34 3abl s PRO 46 Ca 0.45 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 3abl s PRO 46 Cb 0.32 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.79 3abl s PRO 46 CO -0.11 -1.18 1.34 -0.80 0.04 0.00 0.00 177.00 176.28 3abl s ASN 47 N -3.32 6.81 -0.27 6.66 0.01 0.35 -4.79 114.94 120.39 3abl s ASN 47 Ca 0.61 2.54 -0.10 0.00 -0.71 0.00 0.00 52.86 55.20 3abl s ASN 47 Cb -0.16 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.83 3abl s ASN 47 CO 0.49 -0.56 0.16 -0.76 -1.51 0.00 0.00 177.10 174.92 3abl s LEU 48 N -0.65 3.89 -0.38 0.60 1.02 -1.26 0.01 118.68 121.91 3abl s LEU 48 Ca 0.55 -0.05 -0.07 0.00 0.02 0.00 0.00 54.13 54.58 3abl s LEU 48 Cb -0.39 -2.08 0.07 0.00 0.02 0.00 0.00 46.19 43.82 3abl s LEU 48 CO 0.43 -0.04 0.18 -0.69 0.02 0.00 0.00 176.35 176.25 3abl s VAL 49 N 1.71 3.85 0.56 -1.59 1.01 -0.13 -4.94 120.40 120.87 3abl s VAL 49 Ca 0.07 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.44 3abl s VAL 49 Cb -0.16 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3abl s VAL 49 CO 0.09 -0.40 1.14 -2.16 0.00 0.00 0.00 175.10 173.77 3abl s PRO 50 N 1.36 3.24 0.12 2.72 0.04 -1.26 -1.27 135.00 139.95 3abl s PRO 50 Ca 0.02 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 3abl s PRO 50 Cb -0.22 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3abl s PRO 50 CO 0.01 -0.95 0.42 0.45 0.04 0.00 0.00 177.00 176.97 3abl s SER 51 N -1.81 -0.26 0.00 6.66 0.15 -0.97 -4.87 113.70 112.60 3abl s SER 51 Ca 0.73 -0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.29 3abl s SER 51 Cb -0.25 0.48 0.19 0.00 -1.71 0.00 0.00 66.02 64.74 3abl s SER 51 CO 0.29 -0.85 1.13 2.30 1.20 0.00 0.00 173.24 177.31 3abl n ILE 52 N -0.20 0.12 -4.02 6.45 -5.35 -1.26 0.53 119.36 115.64 3abl n ILE 52 Ca -0.16 -0.56 -0.01 0.00 -0.27 0.00 0.00 62.75 61.75 3abl n ILE 52 Cb 0.64 1.28 -0.00 0.00 -1.74 0.00 0.00 39.64 39.81 3abl n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3abl n THR 53 N 1.07 0.00 -0.17 7.28 -2.24 -1.26 -4.68 114.28 114.28 3abl n THR 53 Ca 0.12 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 3abl n THR 53 Cb 0.48 0.04 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 3abl n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3abl n ASN 54 N -2.15 3.91 -3.61 3.42 3.02 -1.26 -4.59 115.26 114.01 3abl n ASN 54 Ca -0.00 -2.35 -0.16 0.00 -0.03 0.00 0.00 54.58 52.04 3abl n ASN 54 Cb 0.03 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3abl n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3abl s LYS 55 N -1.77 0.90 0.01 3.52 -2.85 -1.26 -0.86 119.74 117.42 3abl s LYS 55 Ca 0.41 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 3abl s LYS 55 Cb 0.26 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.45 3abl s LYS 55 CO 0.20 -0.24 -0.01 0.50 0.10 0.00 0.00 175.35 175.90 3abl s ARG 56 N -0.85 0.11 0.11 1.78 3.52 -0.01 -4.94 118.95 118.68 3abl s ARG 56 Ca -0.09 -0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.00 3abl s ARG 56 Cb -0.02 0.02 -0.06 0.00 -1.56 0.00 0.00 34.95 33.34 3abl s ARG 56 CO 0.07 -0.01 0.96 0.42 -0.81 0.00 0.00 175.30 175.92 3abl s ILE 57 N -0.49 4.51 0.05 4.11 1.01 -1.26 0.10 121.20 129.23 3abl s ILE 57 Ca -0.05 2.07 0.03 0.00 0.00 0.00 0.00 60.65 62.70 3abl s ILE 57 Cb -0.03 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3abl s ILE 57 CO -0.00 0.32 0.02 -0.69 0.00 0.00 0.00 174.94 174.59 3abl s VAL 58 N 0.01 4.22 -0.13 2.92 1.01 0.25 -4.86 120.40 123.82 3abl s VAL 58 Ca 0.47 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3abl s VAL 58 Cb -0.23 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3abl s VAL 58 CO 0.30 0.22 -0.21 -0.83 0.00 0.00 0.00 175.10 174.58 3abl s GLY 59 N -2.04 1.28 -0.22 4.51 0.00 -1.26 -1.44 107.32 108.15 3abl s GLY 59 Ca 0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 3abl s GLY 59 CO 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 173.10 173.22 3abl s ILE 61 N 1.47 5.07 0.11 0.00 1.01 -1.26 -1.58 121.20 126.03 3abl s ILE 61 Ca 0.06 -1.35 -0.16 0.00 0.00 0.00 0.00 60.65 59.20 3abl s ILE 61 Cb -0.14 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 3abl s ILE 61 CO -0.03 -0.99 1.54 0.00 0.00 0.00 0.00 174.94 175.47 3abl s GLU 63 N -4.92 1.34 0.16 0.00 2.02 -1.26 -5.05 118.70 110.98 3abl s GLU 63 Ca -0.13 -1.08 -0.34 0.00 0.02 0.00 0.00 54.97 53.44 3abl s GLU 63 Cb 0.09 -1.55 -0.14 0.00 0.10 0.00 0.00 34.13 32.63 3abl s GLU 63 CO 0.79 0.38 1.48 -1.91 0.02 0.00 0.00 175.26 176.02 3abl n GLU 64 N 1.47 1.89 -0.91 1.61 2.13 -1.26 -1.25 120.64 124.33 3abl n GLU 64 Ca -0.18 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.32 3abl n GLU 64 Cb 0.53 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 2.92 -1.47 -4.71 4.31 10.43 -1.26 -4.99 116.55 121.77 3abl n ASP 65 Ca 0.16 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.14 3abl n ASP 65 Cb 0.27 -1.00 0.06 0.00 1.84 0.00 0.00 41.12 42.29 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 -0.11 2.08 -0.02 -2.24 4.13 -0.38 -4.87 115.26 113.85 3abl n ASN 66 Ca 0.00 0.89 0.03 0.00 1.68 0.00 0.00 54.58 57.18 3abl n ASN 66 Cb 0.06 -1.53 -0.13 0.00 -1.54 0.00 0.00 39.78 36.63 3abl n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3abl n SER 67 N -1.33 0.25 -4.68 6.41 3.41 -1.26 -4.83 113.62 111.59 3abl n SER 67 Ca 0.13 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 3abl n SER 67 Cb 0.46 1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 65.61 3abl n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3abl s THR 68 N -3.11 4.73 -0.08 6.66 2.01 -1.26 -5.06 115.64 119.53 3abl s THR 68 Ca -0.07 2.01 -0.04 0.00 0.31 0.00 0.00 61.69 63.90 3abl s THR 68 Cb 0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 3abl s THR 68 CO 0.86 -0.02 0.11 -0.69 -0.69 0.00 0.00 174.62 174.19 3abl s VAL 69 N 2.16 5.14 -0.17 3.82 1.01 -1.26 -4.63 120.40 126.47 3abl s VAL 69 Ca 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 3abl s VAL 69 Cb -0.18 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3abl s VAL 69 CO 0.17 0.54 -0.06 -0.63 0.00 0.00 0.00 175.10 175.12 3abl s ILE 70 N -1.06 3.52 -0.06 2.22 -1.09 -0.61 -4.87 121.20 119.25 3abl s ILE 70 Ca 0.17 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 3abl s ILE 70 Cb -0.12 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 3abl s ILE 70 CO 0.07 0.48 -0.23 0.26 -1.23 0.00 0.00 174.94 174.29 3abl s TRP 71 N 0.72 2.48 -0.18 3.97 0.52 -1.26 0.96 118.94 126.15 3abl s TRP 71 Ca -0.03 -0.59 -0.28 0.00 0.02 0.00 0.00 56.10 55.21 3abl s TRP 71 Cb -0.15 -1.60 0.10 0.00 -1.15 0.00 0.00 33.47 30.67 3abl s TRP 71 CO 0.02 -0.13 0.88 -0.59 0.02 0.00 0.00 176.95 177.15 3abl s PHE 72 N -0.28 -0.54 0.05 -1.98 -0.12 -0.52 -4.97 117.98 109.62 3abl s PHE 72 Ca 0.00 1.09 -0.31 0.00 -0.05 0.00 0.00 56.93 57.67 3abl s PHE 72 Cb -0.13 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 3abl s PHE 72 CO 0.03 -0.39 1.50 -1.58 -0.05 0.00 0.00 175.22 174.72 3abl s TRP 73 N -0.57 2.77 -0.21 3.49 0.52 -1.26 0.85 118.94 124.52 3abl s TRP 73 Ca -0.03 0.65 -0.18 0.00 0.02 0.00 0.00 56.10 56.56 3abl s TRP 73 Cb -0.02 -3.79 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 3abl s TRP 73 CO 0.02 -2.99 0.52 -1.17 0.02 0.00 0.00 176.95 173.34 3abl s LEU 74 N 2.22 4.13 0.07 2.99 2.96 0.28 -4.89 118.68 126.43 3abl s LEU 74 Ca 0.68 0.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 3abl s LEU 74 Cb -0.36 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 3abl s LEU 74 CO 0.29 -0.20 0.01 -1.00 -1.32 0.00 0.00 176.35 174.13 3abl s HIS 75 N 1.78 3.04 0.22 5.38 3.76 -1.26 -0.83 115.29 127.38 3abl s HIS 75 Ca 0.23 0.01 -0.32 0.00 -0.15 0.00 0.00 55.06 54.84 3abl s HIS 75 Cb -0.15 -1.58 -0.13 0.00 1.11 0.00 0.00 32.58 31.83 3abl s HIS 75 CO 0.09 0.48 1.56 1.17 -0.85 0.00 0.00 174.74 177.20 3abl n LYS 76 N 0.73 2.34 0.00 1.40 4.81 -0.04 -4.50 118.16 122.90 3abl n LYS 76 Ca -0.11 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3abl n LYS 76 Cb 0.52 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.98 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 2.91 0.66 3.74 3.14 0.00 -1.26 -5.06 105.19 109.32 3abl n GLY 77 Ca 0.14 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3abl n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3abl s GLU 78 N -2.00 2.49 0.55 1.61 2.12 -1.26 -4.72 118.70 117.49 3abl s GLU 78 Ca 0.00 1.80 -0.22 0.00 0.36 0.00 0.00 54.97 56.92 3abl s GLU 78 Cb 0.00 -1.87 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 3abl s GLU 78 CO 0.00 -1.58 1.36 0.00 -0.54 0.00 0.00 175.26 174.50 3abl n ALA 79 N -2.24 1.57 -2.55 6.30 0.00 -1.26 -4.90 120.51 117.43 3abl n ALA 79 Ca 0.14 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.46 3abl n ALA 79 Cb 0.50 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.90 1.95 -0.11 0.00 -0.21 0.44 -4.93 119.66 113.90 3abl s GLN 80 Ca 0.72 -1.57 -0.00 0.00 0.02 0.00 0.00 55.36 54.53 3abl s GLN 80 Cb -0.42 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 31.60 3abl s GLN 80 CO 0.49 0.36 -0.10 1.03 -2.12 0.00 0.00 175.29 174.95 3abl s ARG 81 N -3.46 3.18 -0.18 2.91 0.52 -1.26 0.04 118.95 120.70 3abl s ARG 81 Ca 0.30 -0.62 -0.40 0.00 -0.52 0.00 0.00 55.73 54.49 3abl s ARG 81 Cb -0.06 -2.65 -0.16 0.00 0.52 0.00 0.00 34.95 32.59 3abl s ARG 81 CO 0.17 0.38 1.59 0.00 0.02 0.00 0.00 175.30 177.46 3abl n PRO 83 N 4.29 0.16 -0.13 0.00 -0.04 -1.26 0.58 135.00 138.60 3abl n PRO 83 Ca 0.24 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.66 3abl n PRO 83 Cb 0.13 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 3abl n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3abl n SER 84 N -1.30 1.99 -0.08 3.54 2.88 -1.26 -4.76 113.62 114.62 3abl n SER 84 Ca 0.06 0.05 0.03 0.00 -1.33 0.00 0.00 58.87 57.67 3abl n SER 84 Cb 0.10 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.83 0.72 3.74 0.00 0.00 0.20 -4.94 105.19 105.73 3abl n GLY 86 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3abl n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abl n THR 87 N -2.16 3.90 -3.76 2.61 -2.24 -1.26 -4.35 114.28 107.02 3abl n THR 87 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 3abl n THR 87 Cb 0.02 -1.65 -0.06 0.00 -2.10 0.00 0.00 70.33 66.54 3abl n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3abl s HIS 88 N -1.29 3.64 0.04 4.78 0.09 0.15 0.60 115.29 123.28 3abl s HIS 88 Ca 0.72 0.68 0.03 0.00 -0.00 0.00 0.00 55.06 56.49 3abl s HIS 88 Cb -0.41 -2.05 -0.02 0.00 -0.00 0.00 0.00 32.58 30.09 3abl s HIS 88 CO 0.49 0.71 -0.10 0.71 -0.00 0.00 0.00 174.74 176.54 3abl s TYR 89 N -1.05 0.87 -0.05 1.40 2.02 0.11 -0.50 117.35 120.14 3abl s TYR 89 Ca 0.18 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.48 3abl s TYR 89 Cb -0.14 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3abl s TYR 89 CO 0.07 -0.02 0.11 0.21 -1.57 0.00 0.00 175.55 174.36 3abl s LYS 90 N -1.20 0.04 0.41 -0.62 2.20 0.10 -0.42 119.74 120.25 3abl s LYS 90 Ca -0.03 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.69 3abl s LYS 90 Cb -0.08 -0.23 -0.10 0.00 -1.51 0.00 0.00 37.83 35.91 3abl s LYS 90 CO 0.01 -0.19 0.98 -1.17 -0.36 0.00 0.00 175.35 174.62 3abl s LEU 91 N 1.31 4.05 -0.46 5.43 2.96 -1.26 -0.95 118.68 129.76 3abl s LEU 91 Ca -0.07 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 55.69 3abl s LEU 91 Cb -0.12 -4.36 0.16 0.00 0.50 0.00 0.00 46.19 42.36 3abl s LEU 91 CO -0.05 -0.38 0.32 0.68 -1.32 0.00 0.00 176.35 175.60 3abl s VAL 92 N -1.93 1.06 0.89 1.68 -7.23 -0.40 -4.70 120.40 109.77 3abl s VAL 92 Ca 0.59 -2.77 -0.12 0.00 -1.81 0.00 0.00 61.98 57.88 3abl s VAL 92 Cb -0.14 -1.73 0.12 0.00 0.56 0.00 0.00 36.38 35.19 3abl s VAL 92 CO 0.19 -1.06 1.10 -2.16 -0.31 0.00 0.00 175.10 172.85 3abl s PRO 93 N 0.03 1.32 0.00 4.82 0.04 -1.26 -2.28 135.00 137.67 3abl s PRO 93 Ca 0.25 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3abl s PRO 93 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3abl s PRO 93 CO -0.10 -2.17 0.00 0.72 0.04 0.00 0.00 177.00 175.49 3abl n HIS 94 N -3.82 0.00 0.00 0.56 8.25 0.19 -4.83 115.22 115.57 3abl n HIS 94 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3abl n HIS 94 Cb 0.56 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.87 3abl n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3abl n GLN 95 N 0.33 0.00 -0.59 -0.41 3.00 -1.26 -4.87 117.38 113.58 3abl n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3abl n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3abl n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95