#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afa h ILE 26 N 0.00 0.28 0.00 2.41 2.10 -2.00 0.74 117.51 121.03 3afa h ILE 26 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3afa h ILE 26 Cb 0.00 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3afa h ILE 26 CO 0.00 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.11 3afa n GLN 27 N -3.40 0.14 0.03 2.19 1.13 -1.26 -1.43 117.38 114.78 3afa n GLN 27 Ca -0.02 0.30 0.02 0.00 -1.94 0.00 0.00 57.00 55.37 3afa n GLN 27 Cb 0.17 -1.73 0.38 0.00 0.11 0.00 0.00 30.24 29.17 3afa n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3afa h GLY 28 N 2.94 0.49 -7.30 1.08 0.00 -0.01 -3.34 103.07 96.95 3afa h GLY 28 Ca 0.00 -0.24 -0.53 0.00 0.00 0.00 0.00 47.33 46.57 3afa h GLY 28 CO 0.00 0.23 1.23 -0.42 0.00 0.00 0.00 176.54 177.58 3afa s ILE 29 N -5.17 3.54 0.55 2.60 1.09 -0.52 -4.93 121.20 118.36 3afa s ILE 29 Ca -0.07 0.39 -0.11 0.00 -1.10 0.00 0.00 60.65 59.76 3afa s ILE 29 Cb 0.16 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 3afa s ILE 29 CO 0.74 -1.07 0.94 0.42 -0.10 0.00 0.00 174.94 175.87 3afa s THR 30 N 7.54 4.72 0.07 2.92 -4.23 -1.25 -4.93 115.64 120.48 3afa s THR 30 Ca 0.60 0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 61.68 3afa s THR 30 Cb -0.12 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.81 3afa s THR 30 CO 0.22 -0.92 1.34 0.50 -0.54 0.00 0.00 174.62 175.22 3afa h LYS 31 N 0.22 -0.39 -1.05 3.99 3.64 -1.91 -0.50 116.57 120.58 3afa h LYS 31 Ca -0.46 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.22 3afa h LYS 31 Cb 1.19 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 3afa h LYS 31 CO 0.62 -0.26 0.68 -1.00 -2.27 0.00 0.00 179.45 177.23 3afa h PRO 32 N -0.40 0.34 -0.04 1.90 0.13 -1.98 0.38 132.00 132.32 3afa h PRO 32 Ca 0.01 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 3afa h PRO 32 Cb 0.44 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3afa h PRO 32 CO -0.23 0.22 -0.56 0.00 -0.23 0.00 0.00 178.00 177.20 3afa h ALA 33 N 1.60 1.00 0.01 -0.56 0.00 -1.69 -0.59 119.26 119.03 3afa h ALA 33 Ca 0.58 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3afa h ALA 33 Cb 1.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3afa h ALA 33 CO -0.26 0.70 -0.87 0.82 0.00 0.00 0.00 179.25 179.64 3afa h ILE 34 N 0.08 1.56 0.08 0.00 2.04 0.11 -2.50 117.51 118.88 3afa h ILE 34 Ca -0.00 -2.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.06 3afa h ILE 34 Cb 1.02 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3afa h ILE 34 CO 0.08 0.80 -0.04 0.03 0.00 0.00 0.00 178.15 179.03 3afa h ARG 35 N 0.05 -0.10 -0.28 2.37 2.47 -0.05 -1.42 114.38 117.41 3afa h ARG 35 Ca -0.03 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.77 3afa h ARG 35 Cb 1.52 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.79 3afa h ARG 35 CO 0.12 0.01 -0.19 0.00 0.56 0.00 0.00 179.97 180.48 3afa h ARG 36 N -0.19 -0.16 -0.46 0.04 3.08 -1.04 0.17 114.38 115.82 3afa h ARG 36 Ca -0.01 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3afa h ARG 36 Cb 0.16 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3afa h ARG 36 CO 0.02 -0.10 0.16 -0.07 -1.07 0.00 0.00 179.97 178.91 3afa h LEU 37 N -0.16 0.17 -1.50 3.04 3.38 -1.32 -0.11 115.31 118.81 3afa h LEU 37 Ca 0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3afa h LEU 37 Cb 0.39 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3afa h LEU 37 CO -0.38 0.13 0.31 0.00 0.09 0.00 0.00 178.44 178.59 3afa h ALA 38 N 1.31 1.63 -0.19 1.53 0.00 -0.11 -1.31 119.26 122.12 3afa h ALA 38 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3afa h ALA 38 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3afa h ALA 38 CO -0.22 0.33 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 3afa h ARG 39 N 0.66 0.37 0.00 0.00 2.47 0.97 0.11 114.38 118.95 3afa h ARG 39 Ca 0.18 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3afa h ARG 39 Cb -0.05 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3afa h ARG 39 CO -0.04 0.62 -0.03 -0.09 0.56 0.00 0.00 179.97 181.00 3afa h ARG 40 N 0.09 0.00 -0.02 0.04 2.43 -0.68 0.17 114.38 116.41 3afa h ARG 40 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3afa h ARG 40 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3afa h ARG 40 CO 0.02 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 3afa n GLY 41 N -0.72 -0.27 1.55 2.80 0.00 -0.53 -4.92 105.19 103.10 3afa n GLY 41 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3afa n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afa n GLY 42 N 1.11 0.61 3.69 -0.02 0.00 0.60 -5.04 105.19 106.15 3afa n GLY 42 Ca 0.20 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3afa n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afa s VAL 43 N -2.00 4.75 -0.16 1.61 1.01 0.28 -4.97 120.40 120.92 3afa s VAL 43 Ca 0.00 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 3afa s VAL 43 Cb 0.00 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 3afa s VAL 43 CO 0.00 0.05 0.27 1.17 0.00 0.00 0.00 175.10 176.59 3afa n LYS 44 N 4.67 0.69 -4.73 2.72 4.81 -1.26 -4.38 118.16 120.68 3afa n LYS 44 Ca 0.08 0.36 -0.25 0.00 -0.87 0.00 0.00 58.31 57.63 3afa n LYS 44 Cb 0.49 -1.71 -0.16 0.00 0.02 0.00 0.00 35.03 33.67 3afa n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3afa s ARG 45 N -2.49 1.75 -0.14 1.64 3.52 -1.26 -5.13 118.95 116.84 3afa s ARG 45 Ca -0.26 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 3afa s ARG 45 Cb 0.07 -1.48 0.01 0.00 -1.56 0.00 0.00 34.95 31.98 3afa s ARG 45 CO 0.69 0.15 -0.21 0.42 -0.81 0.00 0.00 175.30 175.54 3afa s ILE 46 N 0.28 2.13 0.48 4.11 1.01 -1.26 -5.12 121.20 122.83 3afa s ILE 46 Ca -0.08 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 3afa s ILE 46 Cb -0.13 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 3afa s ILE 46 CO 0.03 0.55 1.17 -0.55 0.00 0.00 0.00 174.94 176.14 3afa s SER 47 N 0.79 6.03 0.65 3.58 0.15 -1.26 -4.92 113.70 118.72 3afa s SER 47 Ca -0.07 2.31 0.40 0.00 0.70 0.00 0.00 55.95 59.29 3afa s SER 47 Cb -0.16 -2.60 2.26 0.00 -1.71 0.00 0.00 66.02 63.82 3afa s SER 47 CO -0.01 -1.02 2.34 1.23 1.20 0.00 0.00 173.24 176.98 3afa h GLY 48 N 1.85 0.00 1.06 9.45 0.00 -2.05 -1.96 103.07 111.42 3afa h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3afa h GLY 48 CO 0.59 0.00 -0.38 1.04 0.00 0.00 0.00 176.54 177.79 3afa n LEU 49 N -3.30 0.48 -0.32 3.11 4.77 -1.26 -4.14 117.00 116.34 3afa n LEU 49 Ca -0.03 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 3afa n LEU 49 Cb 0.08 -0.27 0.15 0.00 -2.33 0.00 0.00 43.42 41.05 3afa n LEU 49 CO 0.22 0.11 1.26 0.40 -1.33 0.00 0.00 177.39 178.05 3afa h ILE 50 N 0.16 1.24 -0.06 -0.08 1.08 -1.73 -2.61 117.51 115.51 3afa h ILE 50 Ca 0.00 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3afa h ILE 50 Cb 0.49 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 3afa h ILE 50 CO 0.00 0.24 -0.04 1.88 -0.69 0.00 0.00 178.15 179.53 3afa h TYR 51 N 1.24 -0.10 -0.30 1.37 0.05 -1.77 0.32 116.97 117.78 3afa h TYR 51 Ca 0.33 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.99 3afa h TYR 51 Cb -0.12 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3afa h TYR 51 CO 0.00 -0.07 -0.33 0.93 -1.05 0.00 0.00 178.16 177.64 3afa h GLU 52 N -0.05 0.66 -0.39 4.88 4.39 -1.82 -1.91 114.58 120.34 3afa h GLU 52 Ca 0.04 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3afa h GLU 52 Cb 0.10 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3afa h GLU 52 CO -0.09 0.90 0.23 1.49 -1.16 0.00 0.00 179.01 180.38 3afa h GLU 53 N 0.56 0.53 -0.94 2.33 4.57 -1.07 -2.30 114.58 118.27 3afa h GLU 53 Ca 0.06 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3afa h GLU 53 Cb 0.84 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.27 3afa h GLU 53 CO 0.07 0.40 0.62 1.15 -1.18 0.00 0.00 179.01 180.07 3afa h THR 54 N 0.51 1.23 -0.89 0.32 2.02 -0.13 -2.01 112.91 113.96 3afa h THR 54 Ca 0.14 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3afa h THR 54 Cb 0.01 -0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.24 3afa h THR 54 CO -0.03 0.23 0.49 0.03 0.37 0.00 0.00 175.52 176.62 3afa h ARG 55 N 1.26 1.24 -0.60 6.66 3.08 -0.99 0.93 114.38 125.96 3afa h ARG 55 Ca 0.35 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3afa h ARG 55 Cb -0.13 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.64 3afa h ARG 55 CO -0.08 0.91 0.28 0.78 -1.07 0.00 0.00 179.97 180.79 3afa h GLY 56 N 1.25 0.94 0.74 0.04 0.00 -0.83 0.20 103.07 105.41 3afa h GLY 56 Ca 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3afa h GLY 56 CO -0.05 0.45 -0.00 -2.08 0.00 0.00 0.00 176.54 174.86 3afa h VAL 57 N 0.83 1.25 -0.87 4.60 2.07 -1.11 -2.09 116.25 120.94 3afa h VAL 57 Ca 0.21 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 67.05 3afa h VAL 57 Cb 0.14 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 3afa h VAL 57 CO -0.02 0.22 0.49 0.25 0.02 0.00 0.00 177.57 178.53 3afa h LEU 58 N -0.14 0.65 -0.49 2.57 6.46 -0.58 -1.03 115.31 122.75 3afa h LEU 58 Ca 0.02 0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 3afa h LEU 58 Cb 0.35 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 3afa h LEU 58 CO 0.00 0.32 -0.10 0.50 -0.62 0.00 0.00 178.44 178.55 3afa h LYS 59 N 0.75 0.93 -0.45 1.25 3.64 -0.78 -1.35 116.57 120.56 3afa h LYS 59 Ca 0.45 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3afa h LYS 59 Cb 0.53 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3afa h LYS 59 CO -0.31 1.01 -0.00 0.28 -2.27 0.00 0.00 179.45 178.16 3afa h VAL 60 N 0.79 1.23 0.03 2.00 2.07 -0.66 -0.68 116.25 121.03 3afa h VAL 60 Ca 0.13 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3afa h VAL 60 Cb 0.65 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3afa h VAL 60 CO 0.04 0.34 -0.02 0.15 0.02 0.00 0.00 177.57 178.10 3afa h PHE 61 N 0.68 -0.04 -0.64 1.57 3.57 -0.97 -1.60 116.94 119.52 3afa h PHE 61 Ca 0.14 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3afa h PHE 61 Cb 0.42 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3afa h PHE 61 CO 0.02 0.12 0.05 -0.07 -2.23 0.00 0.00 178.31 176.20 3afa h LEU 62 N -0.19 1.06 0.28 0.59 3.38 -1.06 -1.75 115.31 117.63 3afa h LEU 62 Ca -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3afa h LEU 62 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3afa h LEU 62 CO 0.01 1.08 -0.16 -0.33 0.09 0.00 0.00 178.44 179.13 3afa h GLU 63 N 1.01 -0.40 -0.36 1.13 5.08 -1.08 0.20 114.58 120.16 3afa h GLU 63 Ca 0.19 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3afa h GLU 63 Cb 0.50 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3afa h GLU 63 CO 0.02 -0.27 0.06 -0.91 -1.00 0.00 0.00 179.01 176.92 3afa h ASN 64 N -0.42 -0.01 0.05 1.42 2.35 -1.19 0.92 115.58 118.70 3afa h ASN 64 Ca -0.03 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3afa h ASN 64 Cb 0.34 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3afa h ASN 64 CO 0.04 0.03 -0.03 0.58 -1.65 0.00 0.00 177.43 176.40 3afa h VAL 65 N 0.18 1.19 -0.88 2.81 2.07 -1.16 -3.01 116.25 117.46 3afa h VAL 65 Ca 0.17 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3afa h VAL 65 Cb 0.21 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3afa h VAL 65 CO -0.24 0.21 0.58 0.40 0.02 0.00 0.00 177.57 178.55 3afa h ILE 66 N -0.45 1.22 -0.22 4.57 2.04 -0.52 -1.16 117.51 122.98 3afa h ILE 66 Ca -0.01 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3afa h ILE 66 Cb 0.40 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 3afa h ILE 66 CO 0.01 0.22 -0.07 -0.09 0.00 0.00 0.00 178.15 178.21 3afa h ARG 67 N 1.19 -0.03 -0.55 2.37 2.43 -0.84 0.21 114.38 119.15 3afa h ARG 67 Ca 0.33 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3afa h ARG 67 Cb -0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3afa h ARG 67 CO -0.07 -0.02 0.25 -0.44 -1.51 0.00 0.00 179.97 178.18 3afa h ASP 68 N -0.03 0.73 0.22 -3.80 5.19 -1.32 -1.51 116.42 115.89 3afa h ASP 68 Ca 0.11 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3afa h ASP 68 Cb 0.20 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3afa h ASP 68 CO -0.25 0.67 -0.10 0.00 -3.12 0.00 0.00 179.24 176.44 3afa h ALA 69 N 1.09 -0.29 -0.09 3.45 0.00 -0.67 -1.78 119.26 120.97 3afa h ALA 69 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3afa h ALA 69 Cb 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3afa h ALA 69 CO -0.02 -0.65 0.07 0.28 0.00 0.00 0.00 179.25 178.93 3afa h VAL 70 N -0.33 0.88 -0.18 0.00 2.07 -0.53 0.19 116.25 118.35 3afa h VAL 70 Ca -0.03 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 3afa h VAL 70 Cb 0.25 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3afa h VAL 70 CO 0.05 0.00 -0.38 0.74 0.02 0.00 0.00 177.57 178.00 3afa h THR 71 N 0.00 1.30 -0.00 2.57 2.02 -0.47 0.59 112.91 118.91 3afa h THR 71 Ca 0.04 -1.49 -0.15 0.00 0.77 0.00 0.00 66.41 65.58 3afa h THR 71 Cb 0.18 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3afa h THR 71 CO -0.00 0.46 -0.69 1.88 0.37 0.00 0.00 175.52 177.54 3afa h TYR 72 N 0.32 0.03 0.47 3.16 0.05 0.06 -1.70 116.97 119.37 3afa h TYR 72 Ca 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3afa h TYR 72 Cb 0.82 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3afa h TYR 72 CO 0.02 0.70 -0.23 1.15 -1.05 0.00 0.00 178.16 178.75 3afa h THR 73 N 0.01 0.41 -0.94 -2.88 2.02 -0.30 -2.47 112.91 108.76 3afa h THR 73 Ca -0.01 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.79 3afa h THR 73 Cb 1.22 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 3afa h THR 73 CO 0.09 0.06 0.60 -0.08 0.37 0.00 0.00 175.52 176.56 3afa h GLU 74 N -0.94 1.06 -0.64 6.66 4.81 -0.94 -1.12 114.58 123.47 3afa h GLU 74 Ca -0.07 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3afa h GLU 74 Cb 0.59 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3afa h GLU 74 CO 0.11 0.70 0.29 1.25 -0.73 0.00 0.00 179.01 180.63 3afa h HIS 75 N 1.09 0.91 -0.01 0.92 2.76 -1.29 0.78 115.15 120.31 3afa h HIS 75 Ca 0.40 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 3afa h HIS 75 Cb 0.15 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.83 3afa h HIS 75 CO -0.02 0.67 0.00 0.00 -1.30 0.00 0.00 177.93 177.29 3afa n ALA 76 N -2.44 2.59 -3.62 5.26 0.00 -0.51 -4.89 120.51 116.89 3afa n ALA 76 Ca 0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 3afa n ALA 76 Cb 0.14 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.39 3afa n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3afa n LYS 77 N -0.68 -5.79 -3.71 0.00 5.02 0.27 -4.99 118.16 108.27 3afa n LYS 77 Ca 0.12 0.69 -0.21 0.00 -2.02 0.00 0.00 58.31 56.89 3afa n LYS 77 Cb 0.07 -5.60 -0.04 0.00 -0.02 0.00 0.00 35.03 29.44 3afa n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3afa s ARG 78 N -6.33 2.58 0.00 1.97 0.52 -0.69 -5.01 118.95 111.99 3afa s ARG 78 Ca 0.56 -1.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.36 3afa s ARG 78 Cb -0.27 -2.38 0.03 0.00 0.52 0.00 0.00 34.95 32.85 3afa s ARG 78 CO 0.69 -0.07 0.60 1.63 0.02 0.00 0.00 175.30 178.17 3afa n LYS 79 N -1.45 0.78 -4.36 3.54 4.76 -1.26 -4.43 118.16 115.75 3afa n LYS 79 Ca 0.01 -0.69 -0.33 0.00 -2.87 0.00 0.00 58.31 54.43 3afa n LYS 79 Cb 0.61 -1.04 -0.16 0.00 -1.84 0.00 0.00 35.03 32.60 3afa n LYS 79 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3afa s THR 80 N -0.65 2.34 -0.17 -0.18 2.01 -1.26 -5.09 115.64 112.64 3afa s THR 80 Ca 0.06 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 3afa s THR 80 Cb 0.05 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 3afa s THR 80 CO 0.10 0.52 1.15 -0.69 -0.69 0.00 0.00 174.62 175.01 3afa s VAL 81 N 1.05 4.48 0.30 3.82 1.01 -1.26 -4.93 120.40 124.87 3afa s VAL 81 Ca -0.01 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.77 3afa s VAL 81 Cb -0.14 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3afa s VAL 81 CO -0.06 -0.12 0.48 0.42 0.00 0.00 0.00 175.10 175.82 3afa s THR 82 N 3.07 5.15 0.24 3.92 -4.23 -1.26 -4.97 115.64 117.56 3afa s THR 82 Ca 0.50 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 60.40 3afa s THR 82 Cb -0.19 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 70.01 3afa s THR 82 CO 0.13 -0.44 1.78 0.00 -0.54 0.00 0.00 174.62 175.54 3afa h ALA 83 N 1.06 1.10 -0.93 3.99 0.00 -1.95 0.12 119.26 122.65 3afa h ALA 83 Ca -0.50 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3afa h ALA 83 Cb 1.22 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3afa h ALA 83 CO 0.62 -0.04 0.60 0.52 0.00 0.00 0.00 179.25 180.95 3afa h MET 84 N 0.63 0.99 -0.38 0.00 2.07 -1.94 0.26 114.93 116.57 3afa h MET 84 Ca 0.39 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 3afa h MET 84 Cb 0.46 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 3afa h MET 84 CO -0.30 0.66 0.25 -0.44 1.07 0.00 0.00 176.91 178.14 3afa h ASP 85 N 1.02 0.43 -0.16 1.22 3.32 -1.15 0.12 116.42 121.21 3afa h ASP 85 Ca 0.41 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3afa h ASP 85 Cb 0.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3afa h ASP 85 CO -0.16 0.31 0.07 0.58 -1.72 0.00 0.00 179.24 178.32 3afa h VAL 86 N 0.51 1.15 -0.80 -1.35 2.07 -0.36 -0.63 116.25 116.83 3afa h VAL 86 Ca 0.14 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.32 3afa h VAL 86 Cb -0.06 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 3afa h VAL 86 CO -0.03 0.14 0.44 0.58 0.02 0.00 0.00 177.57 178.71 3afa h VAL 87 N 0.12 0.86 -0.21 2.57 2.07 -0.21 0.35 116.25 121.79 3afa h VAL 87 Ca 0.06 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 3afa h VAL 87 Cb 0.16 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3afa h VAL 87 CO -0.01 0.13 -0.44 1.88 0.02 0.00 0.00 177.57 179.15 3afa h TYR 88 N 0.71 0.64 -0.08 1.57 0.05 -0.55 -1.84 116.97 117.47 3afa h TYR 88 Ca 0.40 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3afa h TYR 88 Cb 0.42 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 3afa h TYR 88 CO -0.08 0.88 0.02 0.00 -1.05 0.00 0.00 178.16 177.94 3afa h ALA 89 N 1.09 0.10 -0.68 3.88 0.00 0.39 -2.03 119.26 122.02 3afa h ALA 89 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3afa h ALA 89 Cb 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3afa h ALA 89 CO 0.08 -0.27 0.45 -0.07 0.00 0.00 0.00 179.25 179.44 3afa h LEU 90 N -0.08 0.75 -0.47 0.00 3.38 -0.29 -1.81 115.31 116.79 3afa h LEU 90 Ca 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3afa h LEU 90 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3afa h LEU 90 CO -0.00 0.53 0.05 0.50 0.09 0.00 0.00 178.44 179.61 3afa h LYS 91 N 0.88 0.80 -0.58 1.13 3.64 -1.10 0.55 116.57 121.89 3afa h LYS 91 Ca 0.26 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3afa h LYS 91 Cb -0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3afa h LYS 91 CO -0.06 0.82 0.26 0.00 -2.27 0.00 0.00 179.45 178.20 3afa h ARG 92 N 0.66 0.82 -0.06 1.90 3.08 -0.74 -1.77 114.38 118.27 3afa h ARG 92 Ca 0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3afa h ARG 92 Cb 0.43 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3afa h ARG 92 CO 0.01 0.65 0.00 1.04 -1.07 0.00 0.00 179.97 180.60 3afa n GLN 93 N -4.35 1.16 -2.69 0.04 1.13 -0.74 -4.87 117.38 107.06 3afa n GLN 93 Ca 0.05 -0.24 -0.17 0.00 -1.94 0.00 0.00 57.00 54.70 3afa n GLN 93 Cb 0.14 -1.11 0.02 0.00 0.11 0.00 0.00 30.24 29.40 3afa n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3afa n GLY 94 N 0.66 -0.26 2.06 1.08 0.00 -0.67 -4.92 105.19 103.15 3afa n GLY 94 Ca 0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3afa n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3afa n ARG 95 N -3.07 2.86 -1.33 1.61 5.12 0.19 -5.01 116.66 117.04 3afa n ARG 95 Ca -0.12 -3.86 -0.52 0.00 -1.93 0.00 0.00 57.85 51.42 3afa n ARG 95 Cb 0.61 -1.98 -0.07 0.00 -1.16 0.00 0.00 32.46 29.86 3afa n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3afa n THR 96 N -0.68 0.00 -5.05 0.55 -1.04 -1.20 -4.57 114.28 102.29 3afa n THR 96 Ca 0.32 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.03 3afa n THR 96 Cb 0.91 -0.03 -0.17 0.00 -1.82 0.00 0.00 70.33 69.22 3afa n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3afa s LEU 97 N 0.21 1.97 -0.03 -4.42 2.96 -1.26 -5.00 118.68 113.10 3afa s LEU 97 Ca 0.80 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3afa s LEU 97 Cb -1.12 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3afa s LEU 97 CO 0.51 0.13 0.20 -0.31 -1.32 0.00 0.00 176.35 175.57 3afa s TYR 98 N 0.40 3.58 0.00 5.38 2.02 -1.26 -4.60 117.35 122.87 3afa s TYR 98 Ca -0.17 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3afa s TYR 98 Cb -0.17 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 3afa s TYR 98 CO 0.07 0.66 0.00 0.41 -1.57 0.00 0.00 175.55 175.12 3afa n GLY 99 N 1.30 1.26 1.18 0.71 0.00 -1.23 -5.00 105.19 103.41 3afa n GLY 99 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 3afa n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3afa n PHE 100 N -0.38 0.47 0.00 1.61 3.01 -1.26 -4.89 117.46 116.02 3afa n PHE 100 Ca 0.00 -1.38 0.00 0.00 1.01 0.00 0.00 57.45 57.08 3afa n PHE 100 Cb 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 3afa n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3afa n GLY 101 N -0.61 1.35 0.00 1.37 0.00 -1.26 -4.40 105.19 101.64 3afa n GLY 101 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3afa n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93