#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n GLN 12 N 0.00 0.07 -3.65 2.98 6.02 -1.26 -5.10 117.38 116.44 3abl n GLN 12 Ca 0.00 0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 3abl n GLN 12 Cb 0.00 -0.55 -0.05 0.00 1.02 0.00 0.00 30.24 30.66 3abl n GLN 12 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3abl n THR 13 N -2.78 0.00 -1.92 5.09 5.66 -1.26 -5.12 114.28 113.95 3abl n THR 13 Ca -0.02 -1.77 -0.42 0.00 -3.05 0.00 0.00 64.05 58.79 3abl n THR 13 Cb 0.07 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 69.73 3abl n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3abl s ALA 14 N -2.94 3.75 0.77 1.79 0.00 -1.26 -4.99 121.76 118.88 3abl s ALA 14 Ca 0.29 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 3abl s ALA 14 Cb 0.01 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 19.53 3abl s ALA 14 CO 0.21 -0.92 1.14 -1.25 0.00 0.00 0.00 175.76 174.93 3abl s PRO 15 N 1.74 2.29 0.15 0.00 0.04 -1.26 -4.98 135.00 132.98 3abl s PRO 15 Ca 0.72 0.32 -0.34 0.00 0.04 0.00 0.00 61.00 61.74 3abl s PRO 15 Cb -0.43 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 31.99 3abl s PRO 15 CO 0.32 -1.41 1.33 0.34 0.04 0.00 0.00 177.00 177.62 3abl n PHE 16 N -3.23 1.66 -4.04 0.56 -0.00 -1.26 -4.97 117.46 106.18 3abl n PHE 16 Ca 0.07 0.56 -0.31 0.00 -0.00 0.00 0.00 57.45 57.77 3abl n PHE 16 Cb 0.59 -2.37 -0.16 0.00 -0.00 0.00 0.00 39.48 37.54 3abl n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3abl s ASP 17 N 0.36 3.43 0.04 -2.13 -1.08 -1.26 -5.00 116.67 111.02 3abl s ASP 17 Ca 0.77 -0.87 0.06 0.00 -0.52 0.00 0.00 52.55 51.99 3abl s ASP 17 Cb -0.83 -1.34 0.28 0.00 -1.46 0.00 0.00 42.92 39.57 3abl s ASP 17 CO 0.48 -0.11 1.18 -1.54 0.52 0.00 0.00 175.17 175.70 3abl n SER 18 N 4.64 0.08 0.10 -0.34 3.41 -1.26 -0.52 113.62 119.73 3abl n SER 18 Ca -0.16 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3abl n SER 18 Cb 0.47 -0.54 0.36 0.00 -0.26 0.00 0.00 64.21 64.23 3abl n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3abl n ARG 19 N -1.60 0.28 -3.40 4.33 1.74 -1.26 -4.22 116.66 112.53 3abl n ARG 19 Ca 0.01 0.20 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 3abl n ARG 19 Cb 0.04 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 29.59 3abl n ARG 19 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3abl n PHE 20 N -2.27 -0.14 1.30 -1.55 3.01 0.32 -4.98 117.46 113.16 3abl n PHE 20 Ca 0.05 -3.51 0.13 0.00 1.01 0.00 0.00 57.45 55.13 3abl n PHE 20 Cb 0.44 -0.02 0.48 0.00 -0.01 0.00 0.00 39.48 40.36 3abl n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3abl n PRO 21 N 2.29 0.75 -3.24 -1.08 -0.04 -1.25 -4.60 135.00 127.82 3abl n PRO 21 Ca 0.27 -0.37 -0.21 0.00 -0.04 0.00 0.00 63.50 63.15 3abl n PRO 21 Cb 0.48 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3abl n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3abl n ASN 22 N -0.80 2.29 -0.17 3.54 3.02 -1.26 -5.04 115.26 116.84 3abl n ASN 22 Ca 0.13 -2.57 -0.06 0.00 -0.03 0.00 0.00 54.58 52.05 3abl n ASN 22 Cb 0.32 -0.19 0.11 0.00 -0.61 0.00 0.00 39.78 39.41 3abl n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3abl h GLN 23 N 0.00 0.95 -6.63 3.52 4.20 -2.06 -3.40 115.11 111.69 3abl h GLN 23 Ca -0.28 -0.25 -0.56 0.00 0.06 0.00 0.00 58.65 57.61 3abl h GLN 23 Cb 1.14 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 3abl h GLN 23 CO 0.43 0.90 0.96 1.21 -0.67 0.00 0.00 178.83 181.66 3abl s ASN 24 N -6.58 6.58 0.00 1.46 3.84 -1.26 -4.83 114.94 114.15 3abl s ASN 24 Ca -0.11 0.63 0.20 0.00 0.21 0.00 0.00 52.86 53.79 3abl s ASN 24 Cb 0.15 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.80 3abl s ASN 24 CO 0.83 -1.27 1.43 0.00 -2.79 0.00 0.00 177.10 175.30 3abl n GLN 25 N 7.82 2.62 -0.21 0.43 1.13 -1.26 -4.64 117.38 123.26 3abl n GLN 25 Ca 0.13 -2.40 -0.05 0.00 -1.94 0.00 0.00 57.00 52.74 3abl n GLN 25 Cb 0.48 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.40 3abl n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3abl h THR 26 N 3.85 1.09 0.00 5.09 2.02 -1.97 -2.03 112.91 120.96 3abl h THR 26 Ca 0.00 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 3abl h THR 26 Cb 0.92 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3abl h THR 26 CO 0.00 0.14 -0.48 -0.09 0.37 0.00 0.00 175.52 175.45 3abl h ARG 27 N 0.76 0.00 0.16 6.66 2.43 -1.99 -2.63 114.38 119.77 3abl h ARG 27 Ca 0.24 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3abl h ARG 27 Cb -0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3abl h ARG 27 CO -0.09 0.48 -0.44 -0.97 -1.51 0.00 0.00 179.97 177.45 3abl h ASN 28 N 0.00 -1.28 -0.20 -3.80 -0.73 -1.71 0.31 115.58 108.17 3abl h ASN 28 Ca -0.00 0.14 0.05 0.00 1.87 0.00 0.00 56.30 58.35 3abl h ASN 28 Cb 0.88 0.47 -0.06 0.00 0.27 0.00 0.00 38.32 39.88 3abl h ASN 28 CO 0.06 -0.51 -0.17 0.00 -0.37 0.00 0.00 177.43 176.44 3abl h TRP 30 N -0.17 0.32 -0.51 0.00 2.91 -1.27 -0.89 115.95 116.33 3abl h TRP 30 Ca 0.12 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.05 3abl h TRP 30 Cb 0.35 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 3abl h TRP 30 CO -0.31 0.27 -0.02 0.37 -1.03 0.00 0.00 178.44 177.72 3abl h GLN 31 N 0.28 0.91 -0.16 2.65 5.75 -0.15 0.09 115.11 124.50 3abl h GLN 31 Ca 0.08 -0.30 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 3abl h GLN 31 Cb 0.05 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3abl h GLN 31 CO -0.01 0.95 -0.27 -0.91 -2.65 0.00 0.00 178.83 175.93 3abl h ASN 32 N 0.78 0.29 0.06 -0.69 2.35 -1.29 0.19 115.58 117.27 3abl h ASN 32 Ca 0.14 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3abl h ASN 32 Cb 0.55 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3abl h ASN 32 CO 0.03 0.56 -0.03 0.22 -1.65 0.00 0.00 177.43 176.56 3abl h TYR 33 N 0.26 -0.08 0.17 1.19 3.20 -0.68 -0.33 116.97 120.70 3abl h TYR 33 Ca 0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3abl h TYR 33 Cb 0.62 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3abl h TYR 33 CO 0.01 0.17 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.25 3abl h LEU 34 N -0.33 -1.10 -0.73 2.82 3.38 -0.58 -2.31 115.31 116.46 3abl h LEU 34 Ca -0.01 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.24 3abl h LEU 34 Cb 0.29 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 3abl h LEU 34 CO 0.01 -0.47 0.10 0.44 0.09 0.00 0.00 178.44 178.61 3abl h ASP 35 N -0.65 -0.14 -0.34 -0.43 3.45 -0.59 0.15 116.42 117.87 3abl h ASP 35 Ca 0.02 0.16 0.01 0.00 0.43 0.00 0.00 57.03 57.65 3abl h ASP 35 Cb 0.65 0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.66 3abl h ASP 35 CO -0.19 -0.10 0.22 0.15 -1.57 0.00 0.00 179.24 177.74 3abl h PHE 36 N 0.19 0.42 0.00 4.55 3.57 -0.79 -0.49 116.94 124.39 3abl h PHE 36 Ca 0.41 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.75 3abl h PHE 36 Cb 0.71 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3abl h PHE 36 CO -0.32 0.26 -0.79 0.45 -2.23 0.00 0.00 178.31 175.67 3abl h HIS 37 N 0.45 0.00 0.07 0.41 3.86 -0.72 -0.55 115.15 118.66 3abl h HIS 37 Ca 0.13 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3abl h HIS 37 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3abl h HIS 37 CO -0.06 0.79 -0.03 0.00 0.86 0.00 0.00 177.93 179.49 3abl h ARG 38 N 0.00 -0.09 -0.16 2.45 3.08 -0.70 -2.10 114.38 116.86 3abl h ARG 38 Ca -0.01 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3abl h ARG 38 Cb 1.42 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 3abl h ARG 38 CO 0.10 0.14 -0.04 0.00 -1.07 0.00 0.00 179.97 179.11 3abl h GLU 40 N 0.01 0.99 -0.16 0.00 5.08 -1.09 -0.81 114.58 118.60 3abl h GLU 40 Ca 0.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3abl h GLU 40 Cb 0.11 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3abl h GLU 40 CO -0.16 0.66 0.02 -0.22 -1.00 0.00 0.00 179.01 178.31 3abl h LYS 41 N 1.02 0.27 -0.28 2.33 3.64 -0.34 -0.49 116.57 122.73 3abl h LYS 41 Ca 0.48 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3abl h LYS 41 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3abl h LYS 41 CO -0.25 0.45 0.02 0.00 -2.27 0.00 0.00 179.45 177.41 3abl h ALA 42 N 0.81 0.37 -0.79 5.00 0.00 -0.85 0.52 119.26 124.32 3abl h ALA 42 Ca 0.05 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3abl h ALA 42 Cb 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3abl h ALA 42 CO 0.00 0.08 0.48 0.52 0.00 0.00 0.00 179.25 180.34 3abl h MET 43 N 0.28 0.86 0.00 0.00 2.86 -1.08 -2.01 114.93 115.83 3abl h MET 43 Ca 0.08 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 3abl h MET 43 Cb 0.38 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3abl h MET 43 CO 0.01 0.57 -0.88 1.15 1.06 0.00 0.00 176.91 178.81 3abl h THR 44 N 0.88 1.63 0.00 2.22 2.02 -0.65 0.60 112.91 119.61 3abl h THR 44 Ca 0.34 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.51 3abl h THR 44 Cb 0.15 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3abl h THR 44 CO -0.17 0.86 0.00 0.00 0.37 0.00 0.00 175.52 176.58 3abl n ALA 45 N -2.38 0.00 0.00 6.16 0.00 0.18 -3.47 120.51 121.00 3abl n ALA 45 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3abl n ALA 45 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.31 3abl n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abl n LYS 46 N -0.22 0.00 -4.03 0.00 4.76 -0.77 -4.64 118.16 113.26 3abl n LYS 46 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 3abl n LYS 46 Cb 0.00 -1.34 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 3abl n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3abl n GLY 47 N 0.89 -0.92 0.00 0.72 0.00 -1.07 -4.96 105.19 99.84 3abl n GLY 47 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3abl n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abl n GLY 48 N -2.02 4.25 3.51 -0.02 0.00 0.21 -5.02 105.19 106.09 3abl n GLY 48 Ca -0.15 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 3abl n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abl s ASP 49 N -0.85 6.19 0.58 1.61 3.68 -1.26 -4.74 116.67 121.87 3abl s ASP 49 Ca 0.00 -0.51 0.29 0.00 2.13 0.00 0.00 52.55 54.45 3abl s ASP 49 Cb 0.00 -2.21 1.50 0.00 -1.45 0.00 0.00 42.92 40.76 3abl s ASP 49 CO 0.00 -0.49 1.94 0.58 0.13 0.00 0.00 175.17 177.33 3abl h VAL 50 N 5.65 0.43 0.00 1.11 2.07 -1.92 -2.41 116.25 121.18 3abl h VAL 50 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3abl h VAL 50 Cb 1.12 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3abl h VAL 50 CO 0.76 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.81 3abl n SER 51 N -3.82 0.59 0.21 0.57 3.41 -1.26 -0.38 113.62 112.94 3abl n SER 51 Ca 0.08 0.74 0.15 0.00 -0.26 0.00 0.00 58.87 59.57 3abl n SER 51 Cb 0.62 -0.83 0.64 0.00 -0.26 0.00 0.00 64.21 64.38 3abl n SER 51 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3abl h VAL 52 N 0.00 0.00 -0.00 -3.33 -1.51 -1.87 -3.00 116.25 106.54 3abl h VAL 52 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 3abl h VAL 52 Cb 0.09 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3abl h VAL 52 CO 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 177.57 176.07 3abl h GLU 54 N 0.20 0.04 -0.44 0.00 4.57 -1.67 -2.51 114.58 114.77 3abl h GLU 54 Ca 0.00 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3abl h GLU 54 Cb 0.47 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3abl h GLU 54 CO 0.00 0.06 0.17 2.35 -1.18 0.00 0.00 179.01 180.41 3abl h TRP 55 N 0.04 0.30 -0.22 0.92 2.91 -1.86 -1.56 115.95 116.48 3abl h TRP 55 Ca 0.01 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 3abl h TRP 55 Cb 0.05 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 3abl h TRP 55 CO 0.00 0.12 -0.19 1.88 -1.03 0.00 0.00 178.44 179.22 3abl h TYR 56 N 0.34 0.42 -0.64 2.65 -1.99 -1.78 -1.63 116.97 114.34 3abl h TYR 56 Ca 0.21 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.79 3abl h TYR 56 Cb 0.19 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3abl h TYR 56 CO -0.15 0.56 0.10 -0.09 -0.00 0.00 0.00 178.16 178.59 3abl h ARG 57 N 0.36 1.06 0.05 4.88 2.43 -1.36 -1.10 114.38 120.69 3abl h ARG 57 Ca 0.06 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3abl h ARG 57 Cb 0.54 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3abl h ARG 57 CO 0.04 0.97 -0.02 0.00 -1.51 0.00 0.00 179.97 179.44 3abl h ARG 58 N 0.99 -0.07 0.01 0.20 2.47 -0.52 -1.39 114.38 116.07 3abl h ARG 58 Ca 0.20 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.95 3abl h ARG 58 Cb 0.43 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 3abl h ARG 58 CO 0.01 0.21 -0.28 0.28 0.56 0.00 0.00 179.97 180.75 3abl h VAL 59 N -0.34 0.37 0.00 2.04 2.07 -1.35 -0.02 116.25 119.01 3abl h VAL 59 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3abl h VAL 59 Cb 0.31 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3abl h VAL 59 CO 0.01 0.00 -0.29 0.10 0.02 0.00 0.00 177.57 177.41 3abl h TYR 60 N -0.44 0.00 -0.27 1.57 -0.00 -1.20 -1.00 116.97 115.63 3abl h TYR 60 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.72 3abl h TYR 60 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 3abl h TYR 60 CO -0.31 0.29 -0.10 0.87 -0.00 0.00 0.00 178.16 178.91 3abl h LYS 61 N 0.00 0.55 -0.83 0.10 1.79 -0.97 0.23 116.57 117.43 3abl h LYS 61 Ca -0.00 -0.23 0.03 0.00 -2.18 0.00 0.00 60.65 58.27 3abl h LYS 61 Cb 0.53 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 3abl h LYS 61 CO 0.04 0.78 0.54 0.77 -1.08 0.00 0.00 179.45 180.50 3abl h SER 62 N 0.30 0.90 0.11 0.86 0.02 -0.47 -3.37 113.55 111.91 3abl h SER 62 Ca 0.07 -0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.64 3abl h SER 62 Cb 0.60 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3abl h SER 62 CO 0.03 0.63 -2.11 0.18 -1.14 0.00 0.00 176.83 174.42 3abl n LEU 63 N -4.55 2.57 -4.73 5.07 4.77 -0.43 -4.94 117.00 114.76 3abl n LEU 63 Ca 0.10 0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 3abl n LEU 63 Cb 0.07 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 3abl n LEU 63 CO 0.34 0.84 0.45 0.00 -1.33 0.00 0.00 177.39 177.70 3abl n PRO 65 N 3.41 1.31 -0.14 0.00 -0.02 -1.26 -4.85 135.00 133.46 3abl n PRO 65 Ca -0.01 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 3abl n PRO 65 Cb 0.51 -2.05 0.25 0.00 -0.02 0.00 0.00 33.50 32.18 3abl n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3abl h ILE 66 N 1.44 1.20 0.00 4.25 2.04 -1.95 -1.88 117.51 122.61 3abl h ILE 66 Ca -0.45 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 3abl h ILE 66 Cb 1.34 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3abl h ILE 66 CO 0.56 0.24 -0.53 0.77 0.00 0.00 0.00 178.15 179.19 3abl h SER 67 N 0.83 0.00 -0.08 1.72 4.64 -1.99 -0.17 113.55 118.50 3abl h SER 67 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3abl h SER 67 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3abl h SER 67 CO -0.03 0.53 -0.14 -0.50 -0.87 0.00 0.00 176.83 175.82 3abl h TRP 68 N 0.00 0.30 -0.99 4.77 4.06 -1.72 0.38 115.95 122.75 3abl h TRP 68 Ca -0.01 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.85 3abl h TRP 68 Cb 0.94 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 29.00 3abl h TRP 68 CO 0.00 0.73 0.65 0.28 -3.56 0.00 0.00 178.44 176.55 3abl h VAL 69 N -0.22 1.25 -0.26 1.49 2.07 -1.25 0.27 116.25 119.60 3abl h VAL 69 Ca 0.01 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3abl h VAL 69 Cb 0.71 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3abl h VAL 69 CO 0.03 0.24 -0.07 -1.28 0.02 0.00 0.00 177.57 176.51 3abl h SER 70 N 1.33 0.52 -0.37 0.57 0.87 -0.95 0.22 113.55 115.74 3abl h SER 70 Ca 0.36 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3abl h SER 70 Cb -0.15 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3abl h SER 70 CO -0.08 0.77 0.10 0.74 -0.53 0.00 0.00 176.83 177.83 3abl h THR 71 N 0.26 1.22 -0.57 2.23 2.02 -0.75 -0.73 112.91 116.60 3abl h THR 71 Ca 0.07 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 3abl h THR 71 Cb 0.55 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3abl h THR 71 CO 0.03 0.26 0.14 -0.50 0.37 0.00 0.00 175.52 175.82 3abl h TRP 72 N 0.46 0.90 0.15 3.16 6.55 -0.58 -1.64 115.95 124.94 3abl h TRP 72 Ca 0.12 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3abl h TRP 72 Cb 0.29 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 3abl h TRP 72 CO 0.01 0.75 -0.15 -0.44 -1.05 0.00 0.00 178.44 177.56 3abl h ASP 73 N 0.84 -0.41 -0.87 -3.49 3.45 -0.25 -0.96 116.42 114.73 3abl h ASP 73 Ca 0.18 0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.77 3abl h ASP 73 Cb 0.29 0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 39.14 3abl h ASP 73 CO -0.00 -0.23 0.53 0.44 -1.57 0.00 0.00 179.24 178.40 3abl h ASP 74 N -0.33 0.79 -0.13 6.45 3.32 -0.93 -1.73 116.42 123.86 3abl h ASP 74 Ca 0.01 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 3abl h ASP 74 Cb 0.32 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3abl h ASP 74 CO -0.05 0.47 -0.73 0.03 -1.72 0.00 0.00 179.24 177.25 3abl h ARG 75 N 0.91 0.77 -0.56 3.56 3.08 -1.08 0.92 114.38 121.98 3abl h ARG 75 Ca 0.41 -0.60 0.04 0.00 0.07 0.00 0.00 59.98 59.89 3abl h ARG 75 Cb 0.30 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3abl h ARG 75 CO -0.22 1.21 0.37 0.00 -1.07 0.00 0.00 179.97 180.26 3abl h ARG 76 N 0.54 0.62 -0.00 0.04 3.08 -0.81 0.23 114.38 118.08 3abl h ARG 76 Ca -0.04 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 3abl h ARG 76 Cb 1.35 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3abl h ARG 76 CO 0.15 0.41 -0.78 0.00 -1.07 0.00 0.00 179.97 178.68 3abl h ALA 77 N 1.68 0.70 0.00 0.04 0.00 -0.74 -2.79 119.26 118.15 3abl h ALA 77 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3abl h ALA 77 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3abl h ALA 77 CO -0.06 0.92 -0.42 1.49 0.00 0.00 0.00 179.25 181.18 3abl h GLU 78 N 0.04 0.00 0.00 0.00 4.81 0.10 -3.47 114.58 116.06 3abl h GLU 78 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3abl h GLU 78 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3abl h GLU 78 CO 0.11 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 3abl n GLY 79 N 1.16 0.85 0.03 1.92 0.00 0.15 -4.96 105.19 104.34 3abl n GLY 79 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3abl n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abl n THR 80 N -2.29 1.17 -2.01 2.61 -2.24 0.58 -4.99 114.28 107.12 3abl n THR 80 Ca 0.00 -1.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.09 3abl n THR 80 Cb 0.00 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 3abl n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3abl s PHE 81 N -1.42 2.69 -0.71 4.78 5.36 -1.06 -4.89 117.98 122.73 3abl s PHE 81 Ca 0.08 0.52 0.25 0.00 -0.96 0.00 0.00 56.93 56.82 3abl s PHE 81 Cb 0.07 -3.88 0.42 0.00 -0.34 0.00 0.00 43.02 39.30 3abl s PHE 81 CO 0.01 -3.39 1.38 -0.35 -1.46 0.00 0.00 175.22 171.40 3abl n PRO 82 N 5.13 0.24 -1.85 10.12 -0.04 -1.26 -4.88 135.00 142.46 3abl n PRO 82 Ca 0.15 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 3abl n PRO 82 Cb 0.41 -1.66 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 3abl n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3abl s GLY 83 N -3.53 1.62 -0.26 0.55 0.00 -1.26 -5.02 107.32 99.42 3abl s GLY 83 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 3abl s GLY 83 CO 0.71 0.03 0.19 1.25 0.00 0.00 0.00 173.10 175.28 3abl s LYS 84 N -5.36 4.02 0.00 2.90 2.20 -1.26 -5.16 119.74 117.08 3abl s LYS 84 Ca 0.59 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 3abl s LYS 84 Cb -0.11 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 3abl s LYS 84 CO 0.52 -0.07 0.40 -0.89 -0.36 0.00 0.00 175.35 174.95