#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi6 s LYS 7 N 0.00 3.96 -0.21 -0.99 2.47 -1.26 -5.07 119.74 118.64 1fi6 s LYS 7 Ca 0.00 -0.15 -0.07 0.00 -1.56 0.00 0.00 55.97 54.19 1fi6 s LYS 7 Cb 0.00 -3.67 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1fi6 s LYS 7 CO 0.00 -0.25 0.04 0.42 0.16 0.00 0.00 175.35 175.73 1fi6 s ILE 8 N 1.92 4.35 -0.10 5.43 1.01 -1.26 -5.09 121.20 127.47 1fi6 s ILE 8 Ca 0.11 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 1fi6 s ILE 8 Cb -0.16 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1fi6 s ILE 8 CO 0.11 0.41 0.61 -0.89 0.00 0.00 0.00 174.94 175.17 1fi6 s THR 9 N 1.01 5.10 0.33 2.92 2.01 -1.26 -4.94 115.64 120.81 1fi6 s THR 9 Ca 0.03 1.23 0.12 0.00 0.31 0.00 0.00 61.69 63.38 1fi6 s THR 9 Cb -0.14 -3.94 0.32 0.00 0.01 0.00 0.00 72.50 68.75 1fi6 s THR 9 CO 0.03 0.27 1.67 -0.78 -0.69 0.00 0.00 174.62 175.11 1fi6 h ASP 10 N 6.82 0.46 -0.98 3.53 1.82 -1.99 1.15 116.42 127.23 1fi6 h ASP 10 Ca -0.40 0.19 0.12 0.00 -0.39 0.00 0.00 57.03 56.55 1fi6 h ASP 10 Cb 1.18 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 41.25 1fi6 h ASP 10 CO 0.76 -0.11 0.61 -0.33 -1.61 0.00 0.00 179.24 178.55 1fi6 h GLU 11 N 0.34 0.92 0.03 0.28 4.39 -2.02 -2.13 114.58 116.39 1fi6 h GLU 11 Ca 0.70 -0.06 -0.28 0.00 0.34 0.00 0.00 59.36 60.07 1fi6 h GLU 11 Cb 1.55 -0.21 0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1fi6 h GLU 11 CO -0.60 0.61 -1.10 1.96 -1.16 0.00 0.00 179.01 178.72 1fi6 h GLN 12 N 0.95 0.69 -0.96 2.33 4.20 0.88 -3.26 115.11 119.94 1fi6 h GLN 12 Ca 0.49 -0.78 0.26 0.00 0.06 0.00 0.00 58.65 58.69 1fi6 h GLN 12 Cb 0.50 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.38 1fi6 h GLN 12 CO -0.27 1.34 0.47 -0.09 -0.67 0.00 0.00 178.83 179.61 1fi6 h ARG 13 N 0.37 0.37 -0.12 1.46 2.43 -0.37 0.79 114.38 119.32 1fi6 h ARG 13 Ca -0.14 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.80 1fi6 h ARG 13 Cb 1.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1fi6 h ARG 13 CO 0.21 0.25 -0.76 -0.56 -1.51 0.00 0.00 179.97 177.61 1fi6 h GLN 14 N 0.38 0.60 -0.68 0.20 -0.00 -1.60 -3.16 115.11 110.85 1fi6 h GLN 14 Ca 0.64 -0.49 0.13 0.00 -0.00 0.00 0.00 58.65 58.93 1fi6 h GLN 14 Cb 1.32 0.10 -0.13 0.00 -0.00 0.00 0.00 27.48 28.77 1fi6 h GLN 14 CO -0.57 1.11 -0.20 -0.92 -0.00 0.00 0.00 178.83 178.25 1fi6 h TYR 15 N 0.41 -0.47 0.32 0.06 3.20 -0.88 0.46 116.97 120.08 1fi6 h TYR 15 Ca -0.04 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1fi6 h TYR 15 Cb 1.36 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.94 1fi6 h TYR 15 CO 0.07 -0.32 -0.15 1.88 -1.64 0.00 0.00 178.16 177.99 1fi6 h TYR 16 N -0.03 -0.40 -0.99 -3.82 0.05 -1.60 -3.02 116.97 107.16 1fi6 h TYR 16 Ca 0.32 -0.01 0.23 0.00 0.05 0.00 0.00 58.73 59.32 1fi6 h TYR 16 Cb 0.52 0.13 -0.09 0.00 1.01 0.00 0.00 36.73 38.31 1fi6 h TYR 16 CO -0.58 -0.10 0.63 0.28 -1.05 0.00 0.00 178.16 177.35 1fi6 h VAL 17 N -0.70 0.62 -0.96 -2.88 2.07 -1.26 0.89 116.25 114.04 1fi6 h VAL 17 Ca -0.04 -0.17 0.30 0.00 0.82 0.00 0.00 66.70 67.60 1fi6 h VAL 17 Cb 0.48 0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.19 1fi6 h VAL 17 CO 0.07 0.09 0.40 0.78 0.02 0.00 0.00 177.57 178.93 1fi6 h ASN 18 N 0.49 0.22 0.00 0.57 2.35 0.02 1.51 115.58 120.74 1fi6 h ASN 18 Ca 0.55 0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 56.35 1fi6 h ASN 18 Cb 1.24 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 1fi6 h ASN 18 CO -0.28 -0.19 -1.21 0.00 -1.65 0.00 0.00 177.43 174.10 1fi6 n GLN 19 N -5.17 0.53 0.29 0.81 6.02 0.14 -4.40 117.38 115.59 1fi6 n GLN 19 Ca 0.28 0.44 0.14 0.00 -0.01 0.00 0.00 57.00 57.86 1fi6 n GLN 19 Cb 0.89 -1.63 0.86 0.00 1.02 0.00 0.00 30.24 31.38 1fi6 n GLN 19 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1fi6 h PHE 20 N -1.00 0.00 -1.01 1.08 -1.00 -0.88 -2.43 116.94 111.69 1fi6 h PHE 20 Ca -0.24 0.00 0.29 0.00 2.81 0.00 0.00 57.97 60.83 1fi6 h PHE 20 Cb 1.05 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 1fi6 h PHE 20 CO -0.13 0.04 0.84 1.57 -1.61 0.00 0.00 178.31 179.02 1fi6 h LYS 21 N 0.00 0.00 -0.99 1.51 5.09 0.21 1.20 116.57 123.58 1fi6 h LYS 21 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 60.65 60.99 1fi6 h LYS 21 Cb 0.10 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.35 1fi6 h LYS 21 CO 0.00 0.00 0.65 1.15 -2.09 0.00 0.00 179.45 179.17 1fi6 h THR 22 N 0.00 0.58 0.00 0.07 2.02 -1.64 -3.11 112.91 110.82 1fi6 h THR 22 Ca 0.48 -0.13 -0.18 0.00 0.77 0.00 0.00 66.41 67.35 1fi6 h THR 22 Cb 2.15 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 1fi6 h THR 22 CO -0.01 0.07 -1.63 -0.38 0.37 0.00 0.00 175.52 173.94 1fi6 n ILE 23 N -4.54 0.62 -3.33 3.11 5.41 0.35 -4.86 119.36 116.12 1fi6 n ILE 23 Ca 0.23 -0.18 -0.46 0.00 1.00 0.00 0.00 62.75 63.34 1fi6 n ILE 23 Cb 0.83 -1.45 -0.01 0.00 -0.71 0.00 0.00 39.64 38.30 1fi6 n ILE 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1fi6 s GLN 24 N -2.21 4.01 -0.03 0.38 2.00 0.21 -4.80 119.66 119.22 1fi6 s GLN 24 Ca -0.16 -2.97 -0.23 0.00 -2.00 0.00 0.00 55.36 50.00 1fi6 s GLN 24 Cb 0.05 -4.52 -0.17 0.00 0.80 0.00 0.00 33.01 29.17 1fi6 s GLN 24 CO 0.21 -1.27 1.06 -1.00 -0.50 0.00 0.00 175.29 173.79 1fi6 h PRO 25 N 7.03 -0.20 -3.73 1.67 0.13 -1.78 -3.30 132.00 131.83 1fi6 h PRO 25 Ca 0.16 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1fi6 h PRO 25 Cb 0.93 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 1fi6 h PRO 25 CO 0.93 0.23 -0.21 0.34 -0.23 0.00 0.00 178.00 179.07 1fi6 s ASP 26 N -5.45 -0.05 0.02 1.44 -1.08 -1.26 -4.97 116.67 105.32 1fi6 s ASP 26 Ca -0.14 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1fi6 s ASP 26 Cb 0.01 0.49 0.02 0.00 -1.46 0.00 0.00 42.92 41.98 1fi6 s ASP 26 CO 0.55 -0.97 0.64 0.18 0.52 0.00 0.00 175.17 176.08 1fi6 n LEU 27 N -0.27 0.01 -1.70 -1.34 4.32 -1.26 0.12 117.00 116.88 1fi6 n LEU 27 Ca -0.07 0.13 0.07 0.00 -0.02 0.00 0.00 56.01 56.12 1fi6 n LEU 27 Cb 0.63 -0.13 0.36 0.00 -1.62 0.00 0.00 43.42 42.66 1fi6 n LEU 27 CO 0.22 -0.14 0.80 -3.20 -1.22 0.00 0.00 177.39 173.86 1fi6 n ASN 28 N -1.16 5.07 -4.28 -1.43 5.15 -1.26 -4.80 115.26 112.55 1fi6 n ASN 28 Ca -0.00 -2.75 -0.27 0.00 -0.60 0.00 0.00 54.58 50.97 1fi6 n ASN 28 Cb 0.39 -0.64 -0.14 0.00 -0.53 0.00 0.00 39.78 38.85 1fi6 n ASN 28 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1fi6 s GLY 29 N -0.73 1.21 -0.01 8.20 0.00 0.33 -5.07 107.32 111.25 1fi6 s GLY 29 Ca 0.48 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1fi6 s GLY 29 CO 0.16 -1.05 0.01 -1.36 0.00 0.00 0.00 173.10 170.86 1fi6 s PHE 30 N -0.82 0.05 -0.41 1.90 0.08 -1.26 -3.31 117.98 114.20 1fi6 s PHE 30 Ca 0.09 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 1fi6 s PHE 30 Cb -0.09 -0.13 0.02 0.00 -0.57 0.00 0.00 43.02 42.25 1fi6 s PHE 30 CO 0.02 -0.04 0.41 0.42 -0.10 0.00 0.00 175.22 175.92 1fi6 s ILE 31 N 0.45 5.13 0.72 0.64 1.01 0.29 -4.80 121.20 124.65 1fi6 s ILE 31 Ca -0.04 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1fi6 s ILE 31 Cb -0.06 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.44 1fi6 s ILE 31 CO -0.01 -0.38 1.20 -2.16 0.00 0.00 0.00 174.94 173.59 1fi6 s PRO 32 N 2.04 2.20 0.00 2.79 0.04 -1.26 0.11 135.00 140.91 1fi6 s PRO 32 Ca 0.11 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1fi6 s PRO 32 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1fi6 s PRO 32 CO 0.13 -1.79 0.55 0.41 0.04 0.00 0.00 177.00 176.34 1fi6 n GLY 33 N 0.35 1.00 0.12 0.56 0.00 0.90 -3.78 105.19 104.33 1fi6 n GLY 33 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1fi6 n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fi6 n SER 34 N 1.55 0.36 0.08 1.61 7.64 -1.26 -4.70 113.62 118.89 1fi6 n SER 34 Ca 0.00 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1fi6 n SER 34 Cb 0.16 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1fi6 n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fi6 h ALA 35 N -1.62 0.45 -0.95 -0.43 0.00 -1.96 -3.31 119.26 111.44 1fi6 h ALA 35 Ca 0.00 -0.71 0.29 0.00 0.00 0.00 0.00 54.91 54.49 1fi6 h ALA 35 Cb 0.17 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 1fi6 h ALA 35 CO 0.00 0.86 0.23 0.00 0.00 0.00 0.00 179.25 180.34 1fi6 h ALA 36 N 0.86 1.45 0.45 0.00 0.00 -1.86 0.67 119.26 120.83 1fi6 h ALA 36 Ca -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1fi6 h ALA 36 Cb 1.54 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1fi6 h ALA 36 CO 0.15 -0.62 -0.22 -0.22 0.00 0.00 0.00 179.25 178.35 1fi6 h LYS 37 N 0.09 -0.58 -0.49 0.00 1.63 -1.84 -1.29 116.57 114.08 1fi6 h LYS 37 Ca 0.64 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.47 1fi6 h LYS 37 Cb 1.42 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.16 1fi6 h LYS 37 CO -0.79 -0.32 0.27 0.93 -3.45 0.00 0.00 179.45 176.09 1fi6 h GLU 38 N -0.75 0.68 -0.11 1.90 5.08 -1.16 0.39 114.58 120.62 1fi6 h GLU 38 Ca -0.06 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1fi6 h GLU 38 Cb 0.53 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1fi6 h GLU 38 CO 0.10 0.54 -0.29 0.35 -1.00 0.00 0.00 179.01 178.71 1fi6 h PHE 39 N 0.65 -0.79 -0.62 4.33 3.57 0.28 -1.15 116.94 123.21 1fi6 h PHE 39 Ca 0.17 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1fi6 h PHE 39 Cb 0.06 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1fi6 h PHE 39 CO -0.02 -0.37 0.11 0.74 -2.23 0.00 0.00 178.31 176.54 1fi6 h PHE 40 N -0.38 1.08 -0.82 0.41 -1.00 -1.03 -2.91 116.94 112.28 1fi6 h PHE 40 Ca 0.09 -0.15 0.19 0.00 2.81 0.00 0.00 57.97 60.92 1fi6 h PHE 40 Cb 0.52 -0.30 -0.15 0.00 3.61 0.00 0.00 35.95 39.63 1fi6 h PHE 40 CO -0.37 0.92 -0.03 1.15 -1.61 0.00 0.00 178.31 178.37 1fi6 h THR 41 N 0.92 0.24 0.00 -1.55 2.02 0.94 1.79 112.91 117.26 1fi6 h THR 41 Ca 0.19 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1fi6 h THR 41 Cb 0.42 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1fi6 h THR 41 CO 0.01 0.01 -0.09 0.11 0.37 0.00 0.00 175.52 175.94 1fi6 h LYS 42 N 0.07 0.00 -0.21 6.66 1.57 -1.10 -2.96 116.57 120.59 1fi6 h LYS 42 Ca 0.45 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.28 1fi6 h LYS 42 Cb 0.81 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1fi6 h LYS 42 CO -0.76 0.09 -0.10 1.03 -0.57 0.00 0.00 179.45 179.14 1fi6 h SER 43 N 0.00 -0.33 0.00 0.86 0.87 0.28 -3.47 113.55 111.76 1fi6 h SER 43 Ca -0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1fi6 h SER 43 Cb 0.38 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1fi6 h SER 43 CO 0.01 -0.13 0.00 1.17 -0.53 0.00 0.00 176.83 177.35 1fi6 n LYS 44 N -5.26 0.00 -2.35 2.24 4.81 -1.12 -5.13 118.16 111.35 1fi6 n LYS 44 Ca -0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.04 1fi6 n LYS 44 Cb 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.20 1fi6 n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1fi6 s LEU 45 N 0.00 4.22 0.40 3.14 1.02 -1.26 -5.00 118.68 121.20 1fi6 s LEU 45 Ca 0.00 2.29 -0.26 0.00 0.02 0.00 0.00 54.13 56.19 1fi6 s LEU 45 Cb 0.00 -4.01 -0.09 0.00 0.02 0.00 0.00 46.19 42.11 1fi6 s LEU 45 CO 0.00 -0.60 1.28 -2.16 0.02 0.00 0.00 176.35 174.89 1fi6 s PRO 46 N -2.25 4.00 0.42 1.29 0.04 -1.26 -4.39 135.00 132.84 1fi6 s PRO 46 Ca 0.56 2.10 0.27 0.00 0.04 0.00 0.00 61.00 63.97 1fi6 s PRO 46 Cb -0.29 -2.76 1.38 0.00 0.04 0.00 0.00 34.50 32.87 1fi6 s PRO 46 CO 0.37 -0.45 1.62 0.97 0.04 0.00 0.00 177.00 179.55 1fi6 h ILE 47 N 2.46 0.12 -0.16 0.56 2.10 -1.91 -1.92 117.51 118.76 1fi6 h ILE 47 Ca -0.49 -0.03 0.02 0.00 1.08 0.00 0.00 64.86 65.43 1fi6 h ILE 47 Cb 1.24 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.96 1fi6 h ILE 47 CO 0.63 0.02 -0.20 0.25 -1.08 0.00 0.00 178.15 177.76 1fi6 h LEU 48 N 0.10 -0.67 -0.92 2.19 7.12 -2.00 0.21 115.31 121.34 1fi6 h LEU 48 Ca 0.82 0.09 0.09 0.00 0.13 0.00 0.00 57.88 59.00 1fi6 h LEU 48 Cb 2.44 0.28 -0.07 0.00 -0.53 0.00 0.00 40.66 42.77 1fi6 h LEU 48 CO -0.50 -0.14 0.57 -0.33 -0.13 0.00 0.00 178.44 177.91 1fi6 h GLU 49 N -0.13 0.94 -1.03 1.25 3.07 -1.73 0.49 114.58 117.44 1fi6 h GLU 49 Ca 0.03 -0.06 0.25 0.00 -0.50 0.00 0.00 59.36 59.09 1fi6 h GLU 49 Cb 0.21 -0.21 -0.10 0.00 -0.84 0.00 0.00 28.75 27.81 1fi6 h GLU 49 CO -0.22 0.62 0.65 -0.07 -1.40 0.00 0.00 179.01 178.59 1fi6 h LEU 50 N 0.97 0.52 -0.71 1.33 -0.00 -0.69 0.38 115.31 117.11 1fi6 h LEU 50 Ca 0.42 0.09 0.15 0.00 -0.00 0.00 0.00 57.88 58.55 1fi6 h LEU 50 Cb 0.30 0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 40.86 1fi6 h LEU 50 CO -0.22 0.11 0.13 -1.28 -0.00 0.00 0.00 178.44 177.18 1fi6 h SER 51 N 0.46 -0.07 0.04 -0.43 0.87 0.17 0.29 113.55 114.88 1fi6 h SER 51 Ca 0.60 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 61.31 1fi6 h SER 51 Cb 1.40 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1fi6 h SER 51 CO -0.34 -0.06 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.14 1fi6 h HIS 52 N 0.22 -0.05 -0.37 2.24 -0.00 -0.34 -2.39 115.15 114.47 1fi6 h HIS 52 Ca 0.39 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.84 1fi6 h HIS 52 Cb 0.66 0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 28.01 1fi6 h HIS 52 CO -0.29 0.11 -0.19 0.82 -0.00 0.00 0.00 177.93 178.38 1fi6 h ILE 53 N -0.21 0.44 -0.27 6.26 2.04 -0.73 -0.47 117.51 124.57 1fi6 h ILE 53 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1fi6 h ILE 53 Cb 0.19 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1fi6 h ILE 53 CO 0.01 0.00 -0.35 -0.25 0.00 0.00 0.00 178.15 177.56 1fi6 h TRP 54 N -0.13 -0.97 -0.10 1.37 2.91 -0.34 1.14 115.95 119.82 1fi6 h TRP 54 Ca 0.18 0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.30 1fi6 h TRP 54 Cb 0.41 0.47 -0.06 0.00 -0.51 0.00 0.00 29.16 29.47 1fi6 h TRP 54 CO -0.41 -0.41 -0.34 0.93 -1.03 0.00 0.00 178.44 177.18 1fi6 h GLU 55 N -0.34 -0.42 0.00 2.65 5.08 -0.76 1.65 114.58 122.44 1fi6 h GLU 55 Ca 0.13 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1fi6 h GLU 55 Cb 0.56 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1fi6 h GLU 55 CO -0.46 -0.28 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.18 1fi6 h LEU 56 N -0.44 0.00 0.00 1.33 4.07 -0.26 -0.92 115.31 119.09 1fi6 h LEU 56 Ca 0.08 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.87 1fi6 h LEU 56 Cb 0.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1fi6 h LEU 56 CO -0.34 0.02 -1.05 0.28 -1.08 0.00 0.00 178.44 176.26 1fi6 h SER 57 N 0.00 0.00 -2.30 -0.43 0.02 0.52 -3.38 113.55 107.98 1fi6 h SER 57 Ca -0.00 0.00 -0.80 0.00 -0.84 0.00 0.00 61.79 60.15 1fi6 h SER 57 Cb 0.05 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.34 1fi6 h SER 57 CO 0.00 0.73 1.16 -0.67 -1.14 0.00 0.00 176.83 176.91 1fi6 n ASP 58 N -3.15 7.02 0.26 3.07 2.03 0.52 -4.78 116.55 121.52 1fi6 n ASP 58 Ca -0.04 -3.51 0.07 0.00 0.52 0.00 0.00 54.79 51.83 1fi6 n ASP 58 Cb 0.87 -1.24 0.40 0.00 -0.72 0.00 0.00 41.12 40.43 1fi6 n ASP 58 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1fi6 h PHE 59 N 4.72 0.00 0.00 -0.67 -1.00 -1.75 1.16 116.94 119.40 1fi6 h PHE 59 Ca 0.44 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.90 1fi6 h PHE 59 Cb 0.43 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.93 1fi6 h PHE 59 CO 1.26 0.00 -2.11 -0.40 -1.61 0.00 0.00 178.31 175.45 1fi6 n ASP 60 N -2.40 0.33 -3.34 2.17 5.75 -1.26 -5.01 116.55 112.78 1fi6 n ASP 60 Ca -0.01 0.16 -0.16 0.00 -0.01 0.00 0.00 54.79 54.76 1fi6 n ASP 60 Cb 0.54 0.64 0.09 0.00 -1.03 0.00 0.00 41.12 41.36 1fi6 n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fi6 n LYS 61 N -2.84 -6.32 -0.13 0.11 4.76 0.40 -4.95 118.16 109.18 1fi6 n LYS 61 Ca -0.26 0.82 -0.25 0.00 -2.87 0.00 0.00 58.31 55.75 1fi6 n LYS 61 Cb 1.09 -5.75 -0.11 0.00 -1.84 0.00 0.00 35.03 28.43 1fi6 n LYS 61 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1fi6 n ASP 62 N -3.05 1.97 0.00 4.39 5.75 -1.26 -5.03 116.55 119.31 1fi6 n ASP 62 Ca -0.28 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1fi6 n ASP 62 Cb 0.66 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1fi6 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fi6 n GLY 63 N 1.61 1.27 3.71 6.12 0.00 -1.26 -5.09 105.19 111.55 1fi6 n GLY 63 Ca -0.51 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1fi6 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fi6 s ALA 64 N -0.37 3.38 -0.24 4.61 0.00 -1.26 -0.07 121.76 127.81 1fi6 s ALA 64 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1fi6 s ALA 64 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1fi6 s ALA 64 CO 0.00 0.58 0.21 -0.51 0.00 0.00 0.00 175.76 176.04 1fi6 s LEU 65 N -0.86 4.11 0.21 0.00 1.02 0.30 -4.87 118.68 118.58 1fi6 s LEU 65 Ca 0.13 0.16 -0.15 0.00 0.02 0.00 0.00 54.13 54.29 1fi6 s LEU 65 Cb -0.11 -2.18 -0.08 0.00 0.02 0.00 0.00 46.19 43.84 1fi6 s LEU 65 CO 0.03 0.02 0.64 0.42 0.02 0.00 0.00 176.35 177.47 1fi6 s THR 66 N 1.23 4.75 0.31 5.49 -4.23 -1.26 0.11 115.64 122.03 1fi6 s THR 66 Ca 0.09 0.93 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1fi6 s THR 66 Cb -0.14 -3.73 0.41 0.00 1.34 0.00 0.00 72.50 70.38 1fi6 s THR 66 CO 0.06 0.10 1.57 0.25 -0.54 0.00 0.00 174.62 176.07 1fi6 h LEU 67 N 3.12 -0.46 -0.40 4.79 6.46 -1.85 0.99 115.31 127.95 1fi6 h LEU 67 Ca -0.48 0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1fi6 h LEU 67 Cb 1.19 0.48 -0.02 0.00 -0.73 0.00 0.00 40.66 41.58 1fi6 h LEU 67 CO 0.66 -0.35 0.21 -0.78 -0.62 0.00 0.00 178.44 177.56 1fi6 h ASP 68 N 0.01 0.51 -0.86 1.25 3.58 -1.92 0.57 116.42 119.56 1fi6 h ASP 68 Ca 0.60 -0.11 0.15 0.00 0.42 0.00 0.00 57.03 58.09 1fi6 h ASP 68 Cb 1.23 -0.13 -0.10 0.00 1.72 0.00 0.00 39.33 42.05 1fi6 h ASP 68 CO -0.91 0.47 0.44 -0.33 -2.88 0.00 0.00 179.24 176.03 1fi6 h GLU 69 N 0.51 0.60 0.48 0.28 5.08 0.52 0.47 114.58 122.53 1fi6 h GLU 69 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1fi6 h GLU 69 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1fi6 h GLU 69 CO -0.02 0.39 -0.24 0.35 -1.00 0.00 0.00 179.01 178.49 1fi6 h PHE 70 N 0.61 -0.64 -0.38 4.33 3.57 0.11 0.46 116.94 125.01 1fi6 h PHE 70 Ca 0.47 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.02 1fi6 h PHE 70 Cb 0.69 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1fi6 h PHE 70 CO -0.09 -0.39 0.05 0.00 -2.23 0.00 0.00 178.31 175.65 1fi6 h ALA 72 N 1.30 -0.22 -0.16 0.00 0.00 0.00 -2.60 119.26 117.59 1fi6 h ALA 72 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fi6 h ALA 72 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1fi6 h ALA 72 CO -0.26 -0.49 0.10 0.00 0.00 0.00 0.00 179.25 178.60 1fi6 h ALA 73 N 0.31 0.20 -0.46 0.00 0.00 0.14 -2.58 119.26 116.88 1fi6 h ALA 73 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1fi6 h ALA 73 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1fi6 h ALA 73 CO 0.04 -0.30 0.18 0.35 0.00 0.00 0.00 179.25 179.52 1fi6 h PHE 74 N 0.19 0.32 -0.15 0.00 3.57 -0.42 -0.24 116.94 120.21 1fi6 h PHE 74 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1fi6 h PHE 74 Cb 0.01 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1fi6 h PHE 74 CO -0.06 0.13 -0.24 1.25 -2.23 0.00 0.00 178.31 177.16 1fi6 h HIS 75 N 0.36 -0.63 -0.10 0.41 2.76 -1.29 0.15 115.15 116.82 1fi6 h HIS 75 Ca 0.21 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1fi6 h HIS 75 Cb 0.19 0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1fi6 h HIS 75 CO -0.14 -0.32 -0.10 1.25 -1.30 0.00 0.00 177.93 177.32 1fi6 h LEU 76 N -0.29 -0.30 -0.91 0.26 6.46 -1.02 -2.05 115.31 117.46 1fi6 h LEU 76 Ca 0.11 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1fi6 h LEU 76 Cb 0.45 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 1fi6 h LEU 76 CO -0.32 -0.13 0.51 0.58 -0.62 0.00 0.00 178.44 178.46 1fi6 h VAL 77 N -0.12 0.77 -0.81 1.05 2.07 -0.44 -1.36 116.25 117.41 1fi6 h VAL 77 Ca 0.07 -0.25 0.20 0.00 0.82 0.00 0.00 66.70 67.53 1fi6 h VAL 77 Cb 0.22 -0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 29.83 1fi6 h VAL 77 CO -0.17 0.13 0.05 0.58 0.02 0.00 0.00 177.57 178.19 1fi6 h VAL 78 N 0.74 0.30 -1.11 2.57 2.07 -0.22 0.54 116.25 121.13 1fi6 h VAL 78 Ca 0.49 -0.04 0.31 0.00 0.82 0.00 0.00 66.70 68.28 1fi6 h VAL 78 Cb 0.65 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 1fi6 h VAL 78 CO -0.34 0.02 0.73 0.00 0.02 0.00 0.00 177.57 178.00 1fi6 h ALA 79 N 1.76 2.43 -1.02 1.67 0.00 -1.24 0.35 119.26 123.21 1fi6 h ALA 79 Ca 0.46 0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.73 1fi6 h ALA 79 Cb 0.86 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1fi6 h ALA 79 CO -0.70 -0.88 0.77 -0.09 0.00 0.00 0.00 179.25 178.36 1fi6 h ARG 80 N 0.29 0.00 -1.04 0.00 9.65 -0.01 0.64 114.38 123.91 1fi6 h ARG 80 Ca 0.64 0.00 0.27 0.00 -1.10 0.00 0.00 59.98 59.79 1fi6 h ARG 80 Cb 1.81 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.30 1fi6 h ARG 80 CO -0.29 0.00 0.68 -0.22 2.80 0.00 0.00 179.97 182.93 1fi6 h LYS 81 N 0.00 0.35 0.00 0.20 3.64 -0.41 -3.00 116.57 117.35 1fi6 h LYS 81 Ca 0.49 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.63 1fi6 h LYS 81 Cb 2.03 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.73 1fi6 h LYS 81 CO -0.01 0.23 -1.45 0.09 -2.27 0.00 0.00 179.45 176.05 1fi6 n ASN 82 N -4.59 1.89 0.00 4.20 3.02 0.20 -5.11 115.26 114.88 1fi6 n ASN 82 Ca 0.25 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1fi6 n ASN 82 Cb 0.89 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1fi6 n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fi6 n GLY 83 N 1.42 3.74 3.55 7.41 0.00 -1.12 -5.18 105.19 115.00 1fi6 n GLY 83 Ca -0.30 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 1fi6 n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fi6 s TYR 84 N 0.00 -0.68 0.02 1.61 2.02 -1.26 -4.99 117.35 114.08 1fi6 s TYR 84 Ca 0.00 1.28 -0.00 0.00 -0.37 0.00 0.00 57.07 57.97 1fi6 s TYR 84 Cb 0.00 0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.95 1fi6 s TYR 84 CO 0.00 -0.55 0.01 -3.47 -1.57 0.00 0.00 175.55 169.97 1fi6 n ASP 85 N 1.28 -1.92 -3.55 2.29 -0.08 -1.26 -5.03 116.55 108.28 1fi6 n ASP 85 Ca -0.18 -0.01 -0.29 0.00 -1.51 0.00 0.00 54.79 52.80 1fi6 n ASP 85 Cb 0.57 -0.01 -0.13 0.00 2.34 0.00 0.00 41.12 43.88 1fi6 n ASP 85 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fi6 s LEU 86 N 0.00 1.28 0.01 -2.67 1.43 -1.26 -5.12 118.68 112.36 1fi6 s LEU 86 Ca 0.01 -1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 50.85 1fi6 s LEU 86 Cb -0.00 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1fi6 s LEU 86 CO 0.01 -0.35 0.98 -2.16 0.23 0.00 0.00 176.35 175.06 1fi6 s PRO 87 N 1.29 4.58 -0.01 1.29 0.04 -1.26 -4.98 135.00 135.95 1fi6 s PRO 87 Ca 0.15 1.43 -0.33 0.00 0.04 0.00 0.00 61.00 62.29 1fi6 s PRO 87 Cb -0.21 -3.45 -0.11 0.00 0.04 0.00 0.00 34.50 30.77 1fi6 s PRO 87 CO -0.12 -0.02 1.88 0.39 0.04 0.00 0.00 177.00 179.17 1fi6 n GLU 88 N 3.76 2.43 -0.12 4.56 1.02 -1.26 -4.88 120.64 126.14 1fi6 n GLU 88 Ca 0.06 0.89 -0.19 0.00 -0.02 0.00 0.00 57.16 57.90 1fi6 n GLU 88 Cb 0.51 -2.77 -0.12 0.00 -0.02 0.00 0.00 31.44 29.04 1fi6 n GLU 88 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1fi6 n LYS 89 N 6.53 0.65 -1.98 3.49 0.00 -1.26 -4.97 118.16 120.62 1fi6 n LYS 89 Ca 0.21 0.17 -0.42 0.00 0.00 0.00 0.00 58.31 58.26 1fi6 n LYS 89 Cb 0.33 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 1fi6 n LYS 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1fi6 s LEU 90 N -6.62 4.36 -1.33 3.14 2.96 -1.26 -4.92 118.68 115.01 1fi6 s LEU 90 Ca -0.35 2.44 -0.16 0.00 -0.22 0.00 0.00 54.13 55.84 1fi6 s LEU 90 Cb 0.09 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1fi6 s LEU 90 CO 0.60 -0.84 2.13 -0.81 -1.32 0.00 0.00 176.35 176.11 1fi6 n PRO 91 N 5.28 2.64 -0.37 0.98 -0.04 -1.26 -4.86 135.00 137.36 1fi6 n PRO 91 Ca 0.15 -2.54 -0.23 0.00 -0.04 0.00 0.00 63.50 60.84 1fi6 n PRO 91 Cb 0.41 -3.26 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 1fi6 n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1fi6 n GLU 92 N 6.52 0.35 0.00 0.54 1.02 -1.26 -2.54 120.64 125.27 1fi6 n GLU 92 Ca 0.51 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 1fi6 n GLU 92 Cb 0.40 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1fi6 n GLU 92 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1fi6 n SER 93 N 6.66 0.00 -0.13 1.62 2.88 -1.26 -4.91 113.62 118.49 1fi6 n SER 93 Ca 0.27 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.55 1fi6 n SER 93 Cb 0.21 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.56 1fi6 n SER 93 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1fi6 n LEU 94 N -0.87 2.16 -4.59 2.46 4.32 -1.05 -4.87 117.00 114.56 1fi6 n LEU 94 Ca 0.00 0.26 -0.41 0.00 -0.02 0.00 0.00 56.01 55.84 1fi6 n LEU 94 Cb 0.00 -0.87 -0.07 0.00 -1.62 0.00 0.00 43.42 40.86 1fi6 n LEU 94 CO 0.00 0.61 0.38 -0.04 -1.22 0.00 0.00 177.39 177.12 1fi6 s MET 95 N -2.49 3.83 0.13 3.23 -1.94 -1.26 -5.05 119.30 115.76 1fi6 s MET 95 Ca -0.36 0.22 -0.25 0.00 -1.71 0.00 0.00 55.69 53.59 1fi6 s MET 95 Cb 0.12 -3.75 -0.07 0.00 2.01 0.00 0.00 34.83 33.14 1fi6 s MET 95 CO 0.54 -0.62 0.78 -1.25 -0.01 0.00 0.00 175.02 174.46 1fi6 s PRO 96 N 2.63 4.55 0.00 2.03 0.04 -1.26 -4.69 135.00 138.29 1fi6 s PRO 96 Ca 0.25 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1fi6 s PRO 96 Cb -0.15 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1fi6 s PRO 96 CO 0.13 0.49 0.04 1.63 0.04 0.00 0.00 177.00 179.32