#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl h GLN 12 N 0.00 0.00 -4.24 2.98 4.20 -2.08 -3.51 115.11 112.47 3abl h GLN 12 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3abl h GLN 12 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 3abl h GLN 12 CO 0.00 0.00 -0.24 -0.08 -0.67 0.00 0.00 178.83 177.84 3abl s THR 13 N -1.41 0.00 0.04 -0.54 -1.32 -1.26 -5.12 115.64 106.03 3abl s THR 13 Ca -0.03 -1.66 -0.32 0.00 -1.21 0.00 0.00 61.69 58.48 3abl s THR 13 Cb 0.00 -2.62 -0.10 0.00 -1.51 0.00 0.00 72.50 68.27 3abl s THR 13 CO 0.04 0.00 1.89 0.00 -2.21 0.00 0.00 174.62 174.35 3abl n ALA 14 N -0.57 1.61 -1.13 11.08 0.00 -1.26 -4.96 120.51 125.27 3abl n ALA 14 Ca 0.02 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.41 3abl n ALA 14 Cb 0.62 -2.60 0.11 0.00 0.00 0.00 0.00 19.45 17.58 3abl n ALA 14 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3abl s PRO 15 N 3.67 1.92 0.18 0.00 0.02 -1.26 -4.96 135.00 134.57 3abl s PRO 15 Ca 0.87 1.41 -0.31 0.00 0.02 0.00 0.00 61.00 62.99 3abl s PRO 15 Cb -0.52 -1.84 -0.17 0.00 0.02 0.00 0.00 34.50 32.00 3abl s PRO 15 CO 0.43 -1.93 0.87 0.34 -0.33 0.00 0.00 177.00 176.38 3abl n PHE 16 N -3.48 0.51 -3.87 6.54 -0.00 -1.26 -4.98 117.46 110.93 3abl n PHE 16 Ca 0.11 0.85 -0.29 0.00 -0.00 0.00 0.00 57.45 58.12 3abl n PHE 16 Cb 0.52 -2.12 -0.16 0.00 -0.00 0.00 0.00 39.48 37.72 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 -0.49 3.53 0.49 -2.13 -1.08 -1.26 -5.00 116.67 110.72 3abl s ASP 17 Ca 0.70 -1.06 0.19 0.00 -0.52 0.00 0.00 52.55 51.86 3abl s ASP 17 Cb -0.92 -0.97 1.02 0.00 -1.46 0.00 0.00 42.92 40.59 3abl s ASP 17 CO 0.56 -0.26 1.52 0.77 0.52 0.00 0.00 175.17 178.27 3abl h SER 18 N 8.06 0.00 1.72 -0.34 4.64 -2.01 0.30 113.55 125.92 3abl h SER 18 Ca -0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3abl h SER 18 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3abl h SER 18 CO 0.39 0.00 -0.14 0.03 -0.87 0.00 0.00 176.83 176.23 3abl h ARG 19 N 0.00 0.00 -2.09 4.77 3.08 -2.02 -3.38 114.38 114.74 3abl h ARG 19 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3abl h ARG 19 Cb 0.77 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.41 3abl h ARG 19 CO 0.00 0.14 -0.89 1.19 -1.07 0.00 0.00 179.97 179.34 3abl n PHE 20 N -3.15 1.51 1.17 3.04 3.01 0.10 -4.95 117.46 118.19 3abl n PHE 20 Ca 0.03 -3.84 0.13 0.00 1.01 0.00 0.00 57.45 54.78 3abl n PHE 20 Cb 0.56 -0.44 0.50 0.00 -0.01 0.00 0.00 39.48 40.08 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 0.95 0.30 -3.45 -1.08 -0.04 -1.24 -4.65 135.00 125.80 3abl n PRO 21 Ca 0.25 -0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 3abl n PRO 21 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3abl n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3abl s ASN 22 N -2.78 4.82 0.25 3.54 0.01 -1.26 -5.03 114.94 114.50 3abl s ASN 22 Ca 0.19 -1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 51.19 3abl s ASN 22 Cb 0.19 0.50 0.27 0.00 0.41 0.00 0.00 41.25 42.63 3abl s ASN 22 CO 0.56 -1.31 1.87 1.56 -1.51 0.00 0.00 177.10 178.26 3abl h GLN 23 N 0.38 1.17 -6.46 -0.60 4.20 -2.06 -3.40 115.11 108.34 3abl h GLN 23 Ca -0.32 -0.14 -0.57 0.00 0.06 0.00 0.00 58.65 57.68 3abl h GLN 23 Cb 1.30 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 3abl h GLN 23 CO 0.48 0.87 1.12 1.21 -0.67 0.00 0.00 178.83 181.83 3abl s ASN 24 N -6.30 6.24 -0.03 1.46 3.84 -1.26 -4.84 114.94 114.05 3abl s ASN 24 Ca -0.12 0.97 0.11 0.00 0.21 0.00 0.00 52.86 54.03 3abl s ASN 24 Cb 0.17 -2.54 0.31 0.00 -0.55 0.00 0.00 41.25 38.64 3abl s ASN 24 CO 0.82 -1.49 1.26 0.00 -2.79 0.00 0.00 177.10 174.90 3abl n GLN 25 N 8.13 2.88 -0.29 0.43 1.13 -1.26 -4.65 117.38 123.74 3abl n GLN 25 Ca 0.18 -2.12 0.03 0.00 -1.94 0.00 0.00 57.00 53.15 3abl n GLN 25 Cb 0.48 -1.33 0.16 0.00 0.11 0.00 0.00 30.24 29.66 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 1.80 0.92 0.00 5.09 2.02 -1.97 -2.07 112.91 118.71 3abl h THR 26 Ca 0.00 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3abl h THR 26 Cb 0.81 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3abl h THR 26 CO 0.03 0.15 -0.33 -0.09 0.37 0.00 0.00 175.52 175.65 3abl h ARG 27 N 0.81 0.00 0.26 6.66 2.43 -1.99 -2.25 114.38 120.31 3abl h ARG 27 Ca 0.39 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 3abl h ARG 27 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3abl h ARG 27 CO -0.24 0.33 -0.13 -0.97 -1.51 0.00 0.00 179.97 177.45 3abl h ASN 28 N 0.00 -0.30 -0.27 -3.80 -0.73 -1.71 0.44 115.58 109.22 3abl h ASN 28 Ca -0.00 -0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.23 3abl h ASN 28 Cb 1.24 0.08 -0.07 0.00 0.27 0.00 0.00 38.32 39.84 3abl h ASN 28 CO 0.04 -0.20 -0.23 0.00 -0.37 0.00 0.00 177.43 176.67 3abl h TRP 30 N -0.23 0.18 -0.23 0.00 2.91 -1.20 -1.80 115.95 115.58 3abl h TRP 30 Ca 0.14 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.07 3abl h TRP 30 Cb 0.45 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 3abl h TRP 30 CO -0.40 0.11 -0.28 0.37 -1.03 0.00 0.00 178.44 177.22 3abl h GLN 31 N 0.20 0.44 -0.04 2.65 5.75 0.08 -0.76 115.11 123.43 3abl h GLN 31 Ca 0.06 -0.17 -0.17 0.00 -0.15 0.00 0.00 58.65 58.22 3abl h GLN 31 Cb -0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3abl h GLN 31 CO -0.03 0.68 -0.72 -0.91 -2.65 0.00 0.00 178.83 175.21 3abl h ASN 32 N 0.39 0.29 0.24 -0.69 2.35 -1.06 0.80 115.58 117.90 3abl h ASN 32 Ca 0.05 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3abl h ASN 32 Cb 0.69 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3abl h ASN 32 CO 0.05 0.91 -0.12 0.22 -1.65 0.00 0.00 177.43 176.85 3abl h TYR 33 N 0.16 -0.30 0.10 1.19 3.20 -0.82 -1.79 116.97 118.70 3abl h TYR 33 Ca -0.02 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.86 3abl h TYR 33 Cb 1.28 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.60 3abl h TYR 33 CO 0.03 -0.02 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.05 3abl h LEU 34 N -0.57 -1.21 -0.94 2.82 3.38 -0.95 -2.53 115.31 115.31 3abl h LEU 34 Ca -0.03 0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.25 3abl h LEU 34 Cb 0.42 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 3abl h LEU 34 CO 0.05 -0.47 0.53 0.44 0.09 0.00 0.00 178.44 179.08 3abl h ASP 35 N -0.63 0.65 -0.33 -0.43 3.45 -0.82 0.91 116.42 119.23 3abl h ASP 35 Ca 0.03 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3abl h ASP 35 Cb 0.66 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 3abl h ASP 35 CO -0.25 0.23 0.18 0.15 -1.57 0.00 0.00 179.24 177.98 3abl h PHE 36 N 0.68 0.45 0.04 4.55 3.57 -1.03 0.20 116.94 125.41 3abl h PHE 36 Ca 0.54 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.80 3abl h PHE 36 Cb 0.82 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3abl h PHE 36 CO -0.05 0.35 -1.02 0.45 -2.23 0.00 0.00 178.31 175.81 3abl h HIS 37 N 0.41 0.29 -0.01 0.41 3.86 -0.84 -1.00 115.15 118.27 3abl h HIS 37 Ca 0.12 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3abl h HIS 37 Cb 0.05 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3abl h HIS 37 CO -0.03 1.08 0.00 0.00 0.86 0.00 0.00 177.93 179.84 3abl h ARG 38 N 0.07 0.02 -0.13 2.45 3.08 -0.87 -2.63 114.38 116.37 3abl h ARG 38 Ca -0.06 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3abl h ARG 38 Cb 1.71 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 3abl h ARG 38 CO 0.16 0.19 -0.26 0.00 -1.07 0.00 0.00 179.97 178.98 3abl h GLU 40 N -0.23 0.13 0.13 0.00 5.08 -1.19 0.78 114.58 119.28 3abl h GLU 40 Ca 0.03 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 3abl h GLU 40 Cb 0.30 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.53 3abl h GLU 40 CO -0.25 0.08 -1.25 1.57 -1.00 0.00 0.00 179.01 178.17 3abl h LYS 41 N 0.13 0.33 -0.62 2.33 2.10 -1.17 0.72 116.57 120.39 3abl h LYS 41 Ca 0.51 -0.54 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 3abl h LYS 41 Cb 0.99 0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 3abl h LYS 41 CO -0.71 1.24 0.31 0.00 -2.00 0.00 0.00 179.45 178.29 3abl h ALA 42 N 0.53 1.37 0.34 0.07 0.00 -0.54 0.58 119.26 121.61 3abl h ALA 42 Ca -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3abl h ALA 42 Cb 1.96 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3abl h ALA 42 CO 0.21 0.50 -0.16 0.52 0.00 0.00 0.00 179.25 180.32 3abl h MET 43 N 0.88 -0.44 -0.94 0.00 2.86 -0.75 -3.04 114.93 113.50 3abl h MET 43 Ca 0.22 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 58.11 3abl h MET 43 Cb 0.08 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 3abl h MET 43 CO -0.03 -0.29 0.62 1.15 1.06 0.00 0.00 176.91 179.42 3abl h THR 44 N -0.63 0.64 0.00 2.22 2.02 -0.75 -1.58 112.91 114.83 3abl h THR 44 Ca -0.05 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3abl h THR 44 Cb 0.35 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3abl h THR 44 CO 0.08 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.04 3abl n ALA 45 N -2.52 -0.03 0.16 6.16 0.00 0.20 -3.03 120.51 121.45 3abl n ALA 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3abl n ALA 45 Cb 0.75 0.14 0.01 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.96 0.08 -3.60 0.00 4.76 -0.68 -4.80 118.16 112.96 3abl n LYS 46 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 3abl n LYS 46 Cb 0.00 -1.08 0.04 0.00 -1.84 0.00 0.00 35.03 32.16 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 -0.48 -1.06 0.00 0.72 0.00 -0.70 -5.03 105.19 98.64 3abl n GLY 47 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.64 3.92 3.36 -0.02 0.00 -1.01 -5.03 105.19 104.77 3abl n GLY 48 Ca -0.10 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.99 6.03 0.25 1.61 3.68 -1.26 -4.53 116.67 121.46 3abl s ASP 49 Ca 0.00 -1.36 0.00 0.00 2.13 0.00 0.00 52.55 53.32 3abl s ASP 49 Cb 0.00 -2.14 0.00 0.00 -1.45 0.00 0.00 42.92 39.33 3abl s ASP 49 CO 0.00 -0.62 0.50 0.52 0.13 0.00 0.00 175.17 175.70 3abl n VAL 50 N 5.14 0.00 0.30 1.11 0.31 -1.26 -2.21 118.33 121.71 3abl n VAL 50 Ca -0.12 0.50 0.13 0.00 -0.01 0.00 0.00 64.34 64.83 3abl n VAL 50 Cb 0.43 -1.10 0.25 0.00 -0.91 0.00 0.00 33.84 32.51 3abl n VAL 50 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3abl h SER 51 N 0.00 0.00 0.60 4.52 4.64 -2.00 -2.64 113.55 118.67 3abl h SER 51 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3abl h SER 51 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3abl h SER 51 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3abl n VAL 52 N -2.94 0.92 0.95 0.95 0.24 -0.94 -2.65 118.33 114.87 3abl n VAL 52 Ca 0.04 0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.74 3abl n VAL 52 Cb 0.49 -1.16 0.36 0.00 -1.47 0.00 0.00 33.84 32.06 3abl n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3abl h GLU 54 N 0.00 0.70 -0.34 0.00 4.57 -1.66 -1.82 114.58 116.01 3abl h GLU 54 Ca 0.00 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3abl h GLU 54 Cb 0.53 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.88 3abl h GLU 54 CO 0.00 0.46 -0.24 2.35 -1.18 0.00 0.00 179.01 180.40 3abl h TRP 55 N 0.72 -0.63 -0.63 0.92 2.91 -1.85 0.92 115.95 118.31 3abl h TRP 55 Ca 0.39 0.05 0.08 0.00 1.13 0.00 0.00 58.89 60.54 3abl h TRP 55 Cb 0.52 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 3abl h TRP 55 CO -0.00 -0.32 0.42 1.88 -1.03 0.00 0.00 178.44 179.39 3abl h TYR 56 N -0.20 0.54 -0.34 2.65 -1.99 -1.66 0.36 116.97 116.33 3abl h TYR 56 Ca 0.17 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.79 3abl h TYR 56 Cb 0.46 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3abl h TYR 56 CO -0.44 0.27 -0.29 -0.09 -0.00 0.00 0.00 178.16 177.61 3abl h ARG 57 N 0.52 0.72 -0.06 4.88 2.43 -0.83 -1.86 114.38 120.18 3abl h ARG 57 Ca 0.28 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3abl h ARG 57 Cb 0.43 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3abl h ARG 57 CO -0.09 0.92 -0.04 0.00 -1.51 0.00 0.00 179.97 179.26 3abl h ARG 58 N 0.61 0.13 -0.23 0.20 2.47 0.37 -1.31 114.38 116.62 3abl h ARG 58 Ca 0.07 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3abl h ARG 58 Cb 0.80 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.05 3abl h ARG 58 CO 0.07 0.52 -0.37 0.28 0.56 0.00 0.00 179.97 181.03 3abl h VAL 59 N -0.26 0.20 -0.33 2.04 2.07 -1.21 0.22 116.25 118.98 3abl h VAL 59 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3abl h VAL 59 Cb 0.49 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3abl h VAL 59 CO 0.01 0.00 -0.08 0.10 0.02 0.00 0.00 177.57 177.62 3abl h TYR 60 N -0.38 0.58 -0.28 1.57 -0.00 -1.28 -0.91 116.97 116.27 3abl h TYR 60 Ca 0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 58.73 58.58 3abl h TYR 60 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.15 3abl h TYR 60 CO -0.49 0.62 -0.53 0.87 -0.00 0.00 0.00 178.16 178.62 3abl h LYS 61 N 0.51 0.82 -0.70 0.10 1.57 -1.11 0.40 116.57 118.17 3abl h LYS 61 Ca 0.10 -0.51 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 3abl h LYS 61 Cb 0.45 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3abl h LYS 61 CO 0.02 1.14 0.45 0.77 -0.57 0.00 0.00 179.45 181.27 3abl h SER 62 N 0.63 0.77 0.13 0.86 0.02 0.14 -3.37 113.55 112.74 3abl h SER 62 Ca 0.02 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 3abl h SER 62 Cb 1.13 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 3abl h SER 62 CO 0.12 0.55 -2.18 0.18 -1.14 0.00 0.00 176.83 174.36 3abl n LEU 63 N -4.62 1.71 -4.73 5.07 4.77 -0.45 -4.99 117.00 113.75 3abl n LEU 63 Ca 0.07 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.74 3abl n LEU 63 Cb 0.04 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 3abl n LEU 63 CO 0.35 0.70 0.53 0.00 -1.33 0.00 0.00 177.39 177.64 3abl n PRO 65 N 3.04 0.93 -0.18 0.00 -0.02 -1.26 -4.85 135.00 132.65 3abl n PRO 65 Ca -0.00 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.75 3abl n PRO 65 Cb 0.50 -2.01 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.73 1.21 -0.15 4.25 2.04 -1.95 -1.11 117.51 122.52 3abl h ILE 66 Ca -0.47 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 3abl h ILE 66 Cb 1.37 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3abl h ILE 66 CO 0.52 0.24 -0.12 0.77 0.00 0.00 0.00 178.15 179.56 3abl h SER 67 N 0.70 0.22 -0.12 1.72 4.64 -1.99 0.03 113.55 118.75 3abl h SER 67 Ca 0.18 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3abl h SER 67 Cb 0.16 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3abl h SER 67 CO -0.02 0.37 -0.06 -0.50 -0.87 0.00 0.00 176.83 175.75 3abl h TRP 68 N 0.22 0.30 -0.54 4.77 4.06 -1.73 -1.05 115.95 121.98 3abl h TRP 68 Ca 0.05 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3abl h TRP 68 Cb 0.36 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 3abl h TRP 68 CO 0.01 0.61 0.33 0.28 -3.56 0.00 0.00 178.44 176.10 3abl h VAL 69 N -0.09 1.16 -0.54 1.49 2.07 -0.85 -0.59 116.25 118.90 3abl h VAL 69 Ca 0.03 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3abl h VAL 69 Cb 0.53 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3abl h VAL 69 CO 0.02 0.17 -0.08 -1.28 0.02 0.00 0.00 177.57 176.42 3abl h SER 70 N 0.73 1.00 -0.45 0.57 0.87 -0.94 0.39 113.55 115.72 3abl h SER 70 Ca 0.20 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3abl h SER 70 Cb -0.02 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3abl h SER 70 CO -0.04 1.10 0.00 0.74 -0.53 0.00 0.00 176.83 178.11 3abl h THR 71 N 0.88 1.26 -0.45 2.23 2.02 -1.07 -1.82 112.91 115.96 3abl h THR 71 Ca 0.14 -1.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.14 3abl h THR 71 Cb 0.64 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3abl h THR 71 CO 0.04 0.36 -0.25 -0.50 0.37 0.00 0.00 175.52 175.54 3abl h TRP 72 N 0.64 1.09 -0.38 3.16 6.55 -0.85 -0.14 115.95 126.02 3abl h TRP 72 Ca 0.13 -0.27 -0.01 0.00 0.95 0.00 0.00 58.89 59.68 3abl h TRP 72 Cb 0.50 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 3abl h TRP 72 CO 0.04 1.08 0.19 -0.44 -1.05 0.00 0.00 178.44 178.26 3abl h ASP 73 N 0.80 0.50 -0.29 -3.49 3.45 -0.77 -0.45 116.42 116.18 3abl h ASP 73 Ca 0.10 -0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.50 3abl h ASP 73 Cb 0.82 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.41 3abl h ASP 73 CO 0.07 0.47 -0.08 0.44 -1.57 0.00 0.00 179.24 178.58 3abl h ASP 74 N 0.48 -0.28 -0.34 6.45 5.19 -1.15 -0.94 116.42 125.84 3abl h ASP 74 Ca 0.13 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 3abl h ASP 74 Cb 0.10 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 3abl h ASP 74 CO -0.02 -0.10 -0.11 0.03 -3.12 0.00 0.00 179.24 175.93 3abl h ARG 75 N -0.00 0.77 -0.87 3.56 3.08 -0.65 0.25 114.38 120.51 3abl h ARG 75 Ca 0.14 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3abl h ARG 75 Cb 0.22 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3abl h ARG 75 CO -0.30 0.85 0.55 0.00 -1.07 0.00 0.00 179.97 180.00 3abl h ARG 76 N 0.70 1.17 0.00 0.04 3.08 -0.41 0.39 114.38 119.35 3abl h ARG 76 Ca 0.12 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3abl h ARG 76 Cb 0.58 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3abl h ARG 76 CO 0.04 0.79 -0.23 0.00 -1.07 0.00 0.00 179.97 179.51 3abl h ALA 77 N 1.42 1.23 0.00 0.04 0.00 0.16 -2.63 119.26 119.46 3abl h ALA 77 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3abl h ALA 77 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3abl h ALA 77 CO -0.06 0.28 -0.53 1.49 0.00 0.00 0.00 179.25 180.43 3abl h GLU 78 N 0.00 0.00 0.00 0.00 4.81 -0.40 -3.47 114.58 115.52 3abl h GLU 78 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3abl h GLU 78 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3abl h GLU 78 CO 0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 3abl n GLY 79 N 1.26 0.53 0.04 1.92 0.00 -0.76 -4.99 105.19 103.19 3abl n GLY 79 Ca 0.03 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.77 1.48 -2.46 2.61 -2.24 0.06 -5.01 114.28 105.94 3abl n THR 80 Ca 0.00 -1.68 -0.42 0.00 -2.27 0.00 0.00 64.05 59.68 3abl n THR 80 Cb 0.00 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.00 3.27 -0.90 4.78 5.36 -1.09 -4.89 117.98 122.50 3abl s PHE 81 Ca 0.17 1.25 0.27 0.00 -0.96 0.00 0.00 56.93 57.66 3abl s PHE 81 Cb 0.15 -3.41 0.82 0.00 -0.34 0.00 0.00 43.02 40.24 3abl s PHE 81 CO 0.02 -1.26 1.66 -0.35 -1.46 0.00 0.00 175.22 173.83 3abl n PRO 82 N 4.82 0.09 -2.57 10.12 -0.04 -1.26 -4.85 135.00 141.30 3abl n PRO 82 Ca 0.10 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 3abl n PRO 82 Cb 0.46 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.19 2.28 -0.28 0.55 0.00 -1.26 -5.02 107.32 100.40 3abl s GLY 83 Ca 0.11 0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.95 3abl s GLY 83 CO 0.62 0.65 0.84 1.25 0.00 0.00 0.00 173.10 176.46 3abl s LYS 84 N -3.56 4.07 0.00 2.90 2.20 -1.26 -5.17 119.74 118.93 3abl s LYS 84 Ca 0.62 0.81 0.05 0.00 -0.36 0.00 0.00 55.97 57.08 3abl s LYS 84 Cb -0.11 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3abl s LYS 84 CO 0.22 -0.64 0.65 -0.89 -0.36 0.00 0.00 175.35 174.33