#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fd7 h TRP 3 N 0.00 1.12 -0.52 2.11 -0.00 -1.92 0.30 115.95 117.03 3fd7 h TRP 3 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 58.89 58.79 3fd7 h TRP 3 Cb 0.00 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 28.81 3fd7 h TRP 3 CO 0.00 0.88 0.33 1.25 -0.00 0.00 0.00 178.44 180.90 3fd7 h LEU 4 N 1.03 0.61 -0.29 0.65 5.85 -2.00 -1.26 115.31 119.89 3fd7 h LEU 4 Ca 0.23 -0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 3fd7 h LEU 4 Cb 0.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3fd7 h LEU 4 CO -0.01 0.47 -0.78 0.74 -0.34 0.00 0.00 178.44 178.51 3fd7 h THR 5 N 0.70 1.35 -0.70 1.05 2.02 -1.89 -2.41 112.91 113.03 3fd7 h THR 5 Ca 0.19 -2.13 0.05 0.00 0.77 0.00 0.00 66.41 65.28 3fd7 h THR 5 Cb -0.05 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 3fd7 h THR 5 CO -0.04 0.65 0.41 0.15 0.37 0.00 0.00 175.52 177.07 3fd7 h PHE 6 N 0.35 0.76 -0.56 3.16 3.57 -0.75 0.32 116.94 123.80 3fd7 h PHE 6 Ca -0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3fd7 h PHE 6 Cb 1.38 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3fd7 h PHE 6 CO 0.06 0.39 0.35 1.96 -2.23 0.00 0.00 178.31 178.84 3fd7 h GLN 7 N 0.78 0.76 -0.62 1.11 4.20 -1.09 0.85 115.11 121.10 3fd7 h GLN 7 Ca 0.30 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 3fd7 h GLN 7 Cb 0.13 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3fd7 h GLN 7 CO -0.15 0.54 0.25 0.87 -0.67 0.00 0.00 178.83 179.67 3fd7 h LYS 8 N 0.76 0.90 0.00 1.46 1.57 -0.91 -1.01 116.57 119.33 3fd7 h LYS 8 Ca 0.20 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 3fd7 h LYS 8 Cb -0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3fd7 h LYS 8 CO -0.04 0.73 -0.91 0.87 -0.57 0.00 0.00 179.45 179.53 3fd7 h LYS 9 N 0.88 0.00 0.00 3.15 1.57 -0.60 -3.42 116.57 118.15 3fd7 h LYS 9 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3fd7 h LYS 9 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fd7 h LYS 9 CO -0.02 0.88 0.00 0.72 -0.57 0.00 0.00 179.45 180.46 3fd7 n HIS 10 N -3.31 0.00 -3.99 -1.35 8.25 0.26 -4.75 115.22 110.34 3fd7 n HIS 10 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3fd7 n HIS 10 Cb 0.90 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.90 3fd7 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fd7 s ILE 11 N -0.06 4.63 0.02 1.59 -1.09 -0.39 0.83 121.20 126.72 3fd7 s ILE 11 Ca 0.00 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.42 3fd7 s ILE 11 Cb 0.00 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3fd7 s ILE 11 CO 0.00 0.43 -0.26 0.28 -1.23 0.00 0.00 174.94 174.16 3fd7 s THR 12 N 0.65 2.11 -2.28 2.92 -1.32 -0.71 -4.82 115.64 112.19 3fd7 s THR 12 Ca 0.03 -1.26 0.20 0.00 -1.21 0.00 0.00 61.69 59.45 3fd7 s THR 12 Cb -0.13 -1.78 0.43 0.00 -1.51 0.00 0.00 72.50 69.51 3fd7 s THR 12 CO 0.02 0.46 1.47 -0.46 -2.21 0.00 0.00 174.62 173.90 3fd7 n ASN 13 N 2.07 2.18 -3.81 8.08 0.23 -1.26 -3.95 115.26 118.79 3fd7 n ASN 13 Ca -0.16 -1.82 -0.12 0.00 -0.53 0.00 0.00 54.58 51.94 3fd7 n ASN 13 Cb 0.51 -0.17 -0.11 0.00 -2.08 0.00 0.00 39.78 37.94 3fd7 n ASN 13 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3fd7 s THR 14 N -1.67 0.03 -0.07 5.53 -1.32 -1.26 -5.03 115.64 111.86 3fd7 s THR 14 Ca 0.33 -0.26 0.20 0.00 -1.21 0.00 0.00 61.69 60.76 3fd7 s THR 14 Cb 0.18 -0.38 0.18 0.00 -1.51 0.00 0.00 72.50 70.97 3fd7 s THR 14 CO 0.26 -0.14 1.64 0.08 -2.21 0.00 0.00 174.62 174.26 3fd7 h ARG 15 N 5.13 0.00 -3.13 7.08 0.11 -1.98 -3.36 114.38 118.22 3fd7 h ARG 15 Ca -0.28 0.00 -0.78 0.00 0.10 0.00 0.00 59.98 59.03 3fd7 h ARG 15 Cb 1.19 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.07 3fd7 h ARG 15 CO 0.38 0.30 1.60 -0.25 0.10 0.00 0.00 179.97 182.10 3fd7 n ASP 16 N -3.28 5.99 -4.75 0.08 8.00 -1.26 -4.82 116.55 116.51 3fd7 n ASP 16 Ca 0.01 -3.25 -0.42 0.00 0.71 0.00 0.00 54.79 51.85 3fd7 n ASP 16 Cb 0.57 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 3fd7 n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fd7 s VAL 17 N -1.14 2.02 -1.39 2.53 1.01 -1.26 -4.88 120.40 117.29 3fd7 s VAL 17 Ca 0.38 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 3fd7 s VAL 17 Cb 0.10 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.53 3fd7 s VAL 17 CO 0.02 0.00 2.02 -0.67 0.00 0.00 0.00 175.10 176.47 3fd7 n ASP 18 N 2.45 4.36 -0.17 3.32 2.03 -1.26 -4.83 116.55 122.44 3fd7 n ASP 18 Ca 0.09 -2.90 -0.02 0.00 0.52 0.00 0.00 54.79 52.49 3fd7 n ASP 18 Cb 0.37 -1.66 0.05 0.00 -0.72 0.00 0.00 41.12 39.15 3fd7 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fd7 h ASP 20 N 0.02 0.00 0.08 0.00 3.32 -1.90 0.37 116.42 118.31 3fd7 h ASP 20 Ca 0.26 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.98 3fd7 h ASP 20 Cb 0.40 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3fd7 h ASP 20 CO -0.52 0.20 -1.79 0.59 -1.72 0.00 0.00 179.24 176.00 3fd7 n ASN 21 N -3.79 2.03 -0.10 6.45 3.02 -1.00 -4.19 115.26 117.69 3fd7 n ASN 21 Ca -0.02 0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 54.70 3fd7 n ASN 21 Cb 0.30 -0.88 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3fd7 n ASN 21 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3fd7 h ILE 22 N -0.32 1.28 0.00 2.41 2.10 -1.01 -3.09 117.51 118.87 3fd7 h ILE 22 Ca -0.41 -1.53 0.00 0.00 1.08 0.00 0.00 64.86 64.00 3fd7 h ILE 22 Cb 1.78 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 3fd7 h ILE 22 CO -0.03 0.51 0.00 0.24 -1.08 0.00 0.00 178.15 177.78 3fd7 h MET 23 N 0.70 0.00 -0.01 2.19 2.86 -1.14 -2.50 114.93 117.03 3fd7 h MET 23 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3fd7 h MET 23 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3fd7 h MET 23 CO 0.09 0.00 -0.16 -1.13 1.06 0.00 0.00 176.91 176.76 3fd7 n SER 24 N -2.85 1.20 -4.77 1.22 3.41 -1.17 -0.27 113.62 110.39 3fd7 n SER 24 Ca 0.01 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.21 3fd7 n SER 24 Cb 0.30 0.09 0.09 0.00 -0.26 0.00 0.00 64.21 64.42 3fd7 n SER 24 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3fd7 s THR 25 N -2.32 3.34 0.46 6.66 -4.23 -0.94 -4.67 115.64 113.94 3fd7 s THR 25 Ca 0.29 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.38 3fd7 s THR 25 Cb 0.20 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.35 3fd7 s THR 25 CO 0.45 -0.57 2.04 0.78 -0.54 0.00 0.00 174.62 176.78 3fd7 h ASN 26 N -1.11 0.25 -0.93 3.99 2.35 -1.90 0.31 115.58 118.54 3fd7 h ASN 26 Ca -0.45 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.37 3fd7 h ASN 26 Cb 1.24 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.49 3fd7 h ASN 26 CO 0.54 0.16 0.60 0.25 -1.65 0.00 0.00 177.43 177.33 3fd7 h LEU 27 N 0.28 0.93 0.00 1.61 5.85 -1.91 -3.18 115.31 118.89 3fd7 h LEU 27 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3fd7 h LEU 27 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3fd7 h LEU 27 CO -0.04 0.59 -1.49 0.49 -0.34 0.00 0.00 178.44 177.65 3fd7 n PHE 28 N -4.50 0.00 -4.29 1.25 3.72 -0.74 -5.02 117.46 107.88 3fd7 n PHE 28 Ca 0.14 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.19 3fd7 n PHE 28 Cb 0.21 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 3fd7 n PHE 28 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 3fd7 n HIS 29 N -1.88 -1.46 -2.49 1.38 1.44 0.10 -1.17 115.22 111.14 3fd7 n HIS 29 Ca -0.02 0.72 -0.20 0.00 -2.01 0.00 0.00 57.72 56.21 3fd7 n HIS 29 Cb 0.30 -2.76 -0.00 0.00 0.12 0.00 0.00 29.99 27.65 3fd7 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3fd7 s LYS 31 N -5.13 1.58 0.37 0.00 -2.85 -0.32 -4.62 119.74 108.77 3fd7 s LYS 31 Ca 0.04 1.40 0.17 0.00 -1.00 0.00 0.00 55.97 56.58 3fd7 s LYS 31 Cb -0.02 -1.80 0.70 0.00 -2.06 0.00 0.00 37.83 34.65 3fd7 s LYS 31 CO 0.05 -2.19 1.76 -0.44 0.10 0.00 0.00 175.35 174.63 3fd7 h ASP 32 N -1.49 0.00 -3.68 0.03 3.32 -1.92 -3.45 116.42 109.23 3fd7 h ASP 32 Ca -0.43 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 3fd7 h ASP 32 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.56 3fd7 h ASP 32 CO 0.46 0.40 -0.25 -0.75 -1.72 0.00 0.00 179.24 177.38 3fd7 s LYS 33 N -3.79 0.46 -0.01 3.56 2.20 -1.26 -0.83 119.74 120.07 3fd7 s LYS 33 Ca -0.01 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 3fd7 s LYS 33 Cb 0.12 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 3fd7 s LYS 33 CO 0.70 -0.09 0.00 1.21 -0.36 0.00 0.00 175.35 176.81 3fd7 s ASN 34 N 0.59 0.13 -0.27 1.43 2.47 -0.81 -4.99 114.94 113.49 3fd7 s ASN 34 Ca -0.03 -0.00 -0.14 0.00 0.42 0.00 0.00 52.86 53.11 3fd7 s ASN 34 Cb -0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.66 3fd7 s ASN 34 CO -0.04 -0.04 0.31 -0.89 -3.72 0.00 0.00 177.10 172.72 3fd7 s THR 35 N 0.43 5.22 -0.21 -5.21 2.01 -1.26 -1.37 115.64 115.25 3fd7 s THR 35 Ca -0.04 0.45 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3fd7 s THR 35 Cb -0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3fd7 s THR 35 CO -0.01 0.20 0.10 -0.36 -0.69 0.00 0.00 174.62 173.86 3fd7 s PHE 36 N 1.88 3.24 -0.27 4.92 0.40 0.15 -4.54 117.98 123.76 3fd7 s PHE 36 Ca 0.13 0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 3fd7 s PHE 36 Cb -0.16 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 3fd7 s PHE 36 CO 0.10 0.03 0.37 0.42 0.70 0.00 0.00 175.22 176.84 3fd7 s ILE 37 N 0.84 5.18 -0.94 0.64 1.01 0.24 -0.10 121.20 128.07 3fd7 s ILE 37 Ca 0.05 0.54 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 3fd7 s ILE 37 Cb -0.13 -3.70 0.14 0.00 0.01 0.00 0.00 42.46 38.77 3fd7 s ILE 37 CO 0.02 0.15 1.12 -0.47 0.00 0.00 0.00 174.94 175.77 3fd7 s TYR 38 N 2.07 3.16 0.02 3.97 5.04 0.09 -1.73 117.35 129.96 3fd7 s TYR 38 Ca 0.15 -1.44 -0.28 0.00 -2.44 0.00 0.00 57.07 53.05 3fd7 s TYR 38 Cb -0.16 -4.27 0.07 0.00 0.35 0.00 0.00 41.96 37.96 3fd7 s TYR 38 CO 0.10 -1.47 0.65 0.45 -1.34 0.00 0.00 175.55 173.95 3fd7 s SER 39 N 3.55 -0.63 0.54 4.32 0.15 -1.25 -4.41 113.70 115.96 3fd7 s SER 39 Ca 0.32 0.49 -0.22 0.00 0.70 0.00 0.00 55.95 57.25 3fd7 s SER 39 Cb -0.05 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3fd7 s SER 39 CO -0.09 -0.72 1.36 -0.13 1.20 0.00 0.00 173.24 174.86 3fd7 s ARG 40 N -2.00 3.16 0.43 5.44 0.52 -1.26 -4.74 118.95 120.50 3fd7 s ARG 40 Ca -0.07 2.25 0.17 0.00 -0.52 0.00 0.00 55.73 57.56 3fd7 s ARG 40 Cb -0.00 -2.28 0.99 0.00 0.52 0.00 0.00 34.95 34.18 3fd7 s ARG 40 CO 0.03 -1.18 1.94 -1.00 0.02 0.00 0.00 175.30 175.11 3fd7 h PRO 41 N 1.50 0.00 0.09 3.54 0.13 -1.98 -3.33 132.00 131.95 3fd7 h PRO 41 Ca -0.51 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3fd7 h PRO 41 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 3fd7 h PRO 41 CO 0.57 0.24 -0.27 0.93 -0.23 0.00 0.00 178.00 179.25 3fd7 h GLU 42 N 0.00 -0.45 0.00 0.86 3.07 -2.00 -0.12 114.58 115.95 3fd7 h GLU 42 Ca -0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 3fd7 h GLU 42 Cb 0.47 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3fd7 h GLU 42 CO 0.03 -0.30 -0.17 -1.00 -1.40 0.00 0.00 179.01 176.18 3fd7 h PRO 43 N -0.46 0.00 -0.13 2.33 0.13 -1.98 -0.64 132.00 131.24 3fd7 h PRO 43 Ca 0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 3fd7 h PRO 43 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 3fd7 h PRO 43 CO -0.17 0.17 -0.07 0.28 -0.23 0.00 0.00 178.00 177.97 3fd7 h VAL 44 N 0.00 1.32 -0.71 1.56 2.07 -1.47 -2.97 116.25 116.05 3fd7 h VAL 44 Ca -0.00 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3fd7 h VAL 44 Cb 0.46 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3fd7 h VAL 44 CO 0.02 0.33 0.44 0.50 0.02 0.00 0.00 177.57 178.88 3fd7 h LYS 45 N -0.06 0.96 0.00 1.57 3.64 -0.63 -2.28 116.57 119.77 3fd7 h LYS 45 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3fd7 h LYS 45 Cb 0.55 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3fd7 h LYS 45 CO 0.02 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 3fd7 n ALA 46 N -2.43 1.38 -0.27 5.00 0.00 -0.28 -1.12 120.51 122.79 3fd7 n ALA 46 Ca 0.07 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.82 3fd7 n ALA 46 Cb 0.06 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 18.58 3fd7 n ALA 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fd7 h ILE 47 N 0.00 0.74 -0.55 0.00 2.04 -1.28 -2.33 117.51 116.14 3fd7 h ILE 47 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fd7 h ILE 47 Cb 0.20 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3fd7 h ILE 47 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.25 3fd7 n LYS 49 N 0.89 1.41 -1.06 0.00 4.81 -0.88 -1.36 118.16 121.97 3fd7 n LYS 49 Ca 0.21 0.52 -0.02 0.00 -0.87 0.00 0.00 58.31 58.15 3fd7 n LYS 49 Cb 0.72 -2.23 -0.01 0.00 0.02 0.00 0.00 35.03 33.53 3fd7 n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fd7 n GLY 50 N 3.90 0.50 3.48 3.14 0.00 -1.26 -4.98 105.19 109.96 3fd7 n GLY 50 Ca 0.24 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3fd7 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fd7 s ILE 51 N -1.80 5.14 -0.06 -0.61 1.01 -0.46 -4.97 121.20 119.44 3fd7 s ILE 51 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 3fd7 s ILE 51 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 3fd7 s ILE 51 CO 0.00 -0.15 -0.09 -0.38 0.00 0.00 0.00 174.94 174.32 3fd7 n ILE 52 N 5.11 0.61 -2.25 2.92 5.41 -1.26 -0.28 119.36 129.61 3fd7 n ILE 52 Ca -0.12 0.37 -0.37 0.00 1.00 0.00 0.00 62.75 63.64 3fd7 n ILE 52 Cb 0.48 -1.87 -0.01 0.00 -0.71 0.00 0.00 39.64 37.53 3fd7 n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fd7 s ALA 53 N -2.90 2.94 -0.02 -1.39 0.00 -1.26 -0.94 121.76 118.19 3fd7 s ALA 53 Ca -0.07 0.93 -0.36 0.00 0.00 0.00 0.00 51.96 52.45 3fd7 s ALA 53 Cb 0.01 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 3fd7 s ALA 53 CO 0.11 -0.68 1.63 0.43 0.00 0.00 0.00 175.76 177.25 3fd7 n SER 54 N -0.59 2.65 -3.69 0.00 7.64 -1.25 -4.70 113.62 113.68 3fd7 n SER 54 Ca 0.08 1.06 -0.12 0.00 1.01 0.00 0.00 58.87 60.90 3fd7 n SER 54 Cb 0.48 -1.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.30 3fd7 n SER 54 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3fd7 s LYS 55 N 2.17 0.57 -0.05 1.43 2.20 -0.61 -4.98 119.74 120.46 3fd7 s LYS 55 Ca 0.88 0.77 -0.25 0.00 -0.36 0.00 0.00 55.97 57.01 3fd7 s LYS 55 Cb -0.84 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 3fd7 s LYS 55 CO 0.50 -0.09 0.79 -0.80 -0.36 0.00 0.00 175.35 175.38 3fd7 s ASN 56 N 0.60 7.09 -0.09 1.43 0.02 -1.26 -0.18 114.94 122.55 3fd7 s ASN 56 Ca -0.03 1.32 0.01 0.00 -1.02 0.00 0.00 52.86 53.15 3fd7 s ASN 56 Cb -0.05 -2.46 0.02 0.00 0.02 0.00 0.00 41.25 38.78 3fd7 s ASN 56 CO -0.04 -0.17 -0.12 -0.69 0.02 0.00 0.00 177.10 176.10 3fd7 s VAL 57 N 0.94 1.20 -0.09 1.60 1.01 0.10 -4.96 120.40 120.19 3fd7 s VAL 57 Ca 0.42 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 3fd7 s VAL 57 Cb -0.19 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3fd7 s VAL 57 CO 0.21 0.38 0.60 -0.22 0.00 0.00 0.00 175.10 176.07 3fd7 s LEU 58 N 0.99 4.30 0.64 3.92 2.96 -1.26 -1.43 118.68 128.80 3fd7 s LEU 58 Ca -0.08 1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 54.67 3fd7 s LEU 58 Cb -0.15 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 3fd7 s LEU 58 CO -0.00 -0.07 1.29 0.35 -1.32 0.00 0.00 176.35 176.60 3fd7 n THR 59 N 3.75 4.85 -0.01 3.68 -2.24 -0.00 -4.93 114.28 119.37 3fd7 n THR 59 Ca -0.04 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 3fd7 n THR 59 Cb 0.51 -1.50 -0.12 0.00 -2.10 0.00 0.00 70.33 67.12 3fd7 n THR 59 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3fd7 h THR 60 N 0.61 0.78 -3.05 4.28 2.02 -1.96 -3.44 112.91 112.15 3fd7 h THR 60 Ca -0.51 -2.55 -0.50 0.00 0.77 0.00 0.00 66.41 63.63 3fd7 h THR 60 Cb 1.34 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 3fd7 h THR 60 CO 0.53 0.45 -0.15 -0.44 0.37 0.00 0.00 175.52 176.28 3fd7 s SER 61 N -6.04 6.36 -0.01 4.18 0.01 -1.26 -5.08 113.70 111.86 3fd7 s SER 61 Ca -0.04 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 57.77 3fd7 s SER 61 Cb 0.08 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 3fd7 s SER 61 CO 0.82 -0.27 0.23 -1.61 0.41 0.00 0.00 173.24 172.82 3fd7 s GLU 62 N -3.98 3.52 0.24 12.44 2.02 -1.26 -4.43 118.70 127.25 3fd7 s GLU 62 Ca 0.42 -0.15 0.11 0.00 0.02 0.00 0.00 54.97 55.38 3fd7 s GLU 62 Cb -0.10 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 3fd7 s GLU 62 CO 0.34 0.67 -0.21 -0.06 0.02 0.00 0.00 175.26 176.02 3fd7 s PHE 63 N -1.27 2.25 -0.09 1.61 0.40 -0.03 -4.83 117.98 116.02 3fd7 s PHE 63 Ca 0.26 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.93 3fd7 s PHE 63 Cb -0.13 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 3fd7 s PHE 63 CO 0.15 0.60 1.23 -0.47 0.70 0.00 0.00 175.22 177.43 3fd7 s TYR 64 N -2.15 3.05 -0.12 0.36 6.14 -1.26 -1.59 117.35 121.79 3fd7 s TYR 64 Ca 0.25 1.13 0.03 0.00 0.64 0.00 0.00 57.07 59.11 3fd7 s TYR 64 Cb -0.06 -3.46 -0.00 0.00 0.42 0.00 0.00 41.96 38.86 3fd7 s TYR 64 CO 0.12 -1.49 -0.21 -0.51 0.64 0.00 0.00 175.55 174.10 3fd7 s LEU 65 N 2.69 2.24 -0.34 6.97 1.43 0.47 -0.73 118.68 131.41 3fd7 s LEU 65 Ca 0.56 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 3fd7 s LEU 65 Cb -0.24 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3fd7 s LEU 65 CO 0.19 0.14 0.13 -0.44 0.23 0.00 0.00 176.35 176.60 3fd7 s SER 66 N 0.46 5.39 -0.17 2.29 0.01 0.86 -1.32 113.70 121.22 3fd7 s SER 66 Ca -0.14 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.03 3fd7 s SER 66 Cb -0.17 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 3fd7 s SER 66 CO 0.06 -0.31 0.09 -1.81 0.41 0.00 0.00 173.24 171.68 3fd7 s ASP 67 N 1.46 5.92 -0.38 2.44 1.01 0.61 -0.67 116.67 127.07 3fd7 s ASP 67 Ca 0.00 0.20 -0.17 0.00 0.71 0.00 0.00 52.55 53.29 3fd7 s ASP 67 Cb -0.19 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.75 3fd7 s ASP 67 CO 0.04 0.23 0.42 0.00 0.21 0.00 0.00 175.17 176.07 3fd7 s ASN 69 N 1.78 3.93 0.56 0.00 0.01 -0.63 -1.93 114.94 118.66 3fd7 s ASN 69 Ca 0.13 -0.36 -0.20 0.00 -0.71 0.00 0.00 52.86 51.72 3fd7 s ASN 69 Cb -0.16 -1.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 3fd7 s ASN 69 CO 0.13 0.14 1.23 0.54 -1.51 0.00 0.00 177.10 177.63 3fd7 s VAL 70 N 0.48 2.61 0.00 1.60 0.11 -0.01 -0.72 120.40 124.47 3fd7 s VAL 70 Ca -0.09 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 3fd7 s VAL 70 Cb -0.16 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 3fd7 s VAL 70 CO 0.04 -0.05 0.00 0.35 -3.33 0.00 0.00 175.10 172.11 3fd7 n THR 71 N -1.26 0.00 0.29 5.04 -2.24 -0.13 -4.78 114.28 111.20 3fd7 n THR 71 Ca 0.12 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.05 3fd7 n THR 71 Cb 0.48 -0.93 0.88 0.00 -2.10 0.00 0.00 70.33 68.66 3fd7 n THR 71 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3fd7 h SER 72 N 0.00 0.00 -3.60 3.42 4.64 -1.96 -3.40 113.55 112.65 3fd7 h SER 72 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3fd7 h SER 72 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 3fd7 h SER 72 CO 0.00 0.05 -0.03 -0.13 -0.87 0.00 0.00 176.83 175.85 3fd7 s ARG 73 N -4.31 3.78 0.34 4.77 0.52 -1.26 -5.03 118.95 117.76 3fd7 s ARG 73 Ca -0.04 0.01 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 3fd7 s ARG 73 Cb 0.14 -3.75 -0.12 0.00 0.52 0.00 0.00 34.95 31.73 3fd7 s ARG 73 CO 0.54 -0.55 1.21 -2.30 0.02 0.00 0.00 175.30 174.23 3fd7 n PRO 74 N 5.69 1.90 -1.86 3.54 -0.02 -1.26 -1.66 135.00 141.33 3fd7 n PRO 74 Ca -0.04 0.67 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 3fd7 n PRO 74 Cb 0.49 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3fd7 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fd7 s LYS 76 N -4.17 1.56 0.12 0.00 -0.14 -0.67 -4.89 119.74 111.55 3fd7 s LYS 76 Ca 0.00 -0.93 0.05 0.00 -1.36 0.00 0.00 55.97 53.73 3fd7 s LYS 76 Cb 0.00 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.47 3fd7 s LYS 76 CO 0.00 0.43 -0.12 0.71 -0.76 0.00 0.00 175.35 175.61 3fd7 s TYR 77 N -0.72 1.27 -0.12 3.18 1.51 -1.26 -0.95 117.35 120.26 3fd7 s TYR 77 Ca 0.08 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 3fd7 s TYR 77 Cb -0.09 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 3fd7 s TYR 77 CO 0.01 0.09 -0.13 0.21 -1.11 0.00 0.00 175.55 174.62 3fd7 s LYS 78 N -3.05 3.24 -0.12 -0.62 2.47 0.10 -4.88 119.74 116.88 3fd7 s LYS 78 Ca 0.11 -0.68 -0.25 0.00 -1.56 0.00 0.00 55.97 53.58 3fd7 s LYS 78 Cb -0.02 -2.60 -0.02 0.00 -1.46 0.00 0.00 37.83 33.73 3fd7 s LYS 78 CO 0.02 0.29 0.82 -1.17 0.16 0.00 0.00 175.35 175.47 3fd7 s LEU 79 N 0.15 4.24 -0.14 5.43 2.96 -1.26 -1.61 118.68 128.45 3fd7 s LEU 79 Ca -0.07 1.24 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 3fd7 s LEU 79 Cb -0.15 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3fd7 s LEU 79 CO 0.05 -0.31 -0.19 -0.75 -1.32 0.00 0.00 176.35 173.83 3fd7 s LYS 80 N 1.65 3.11 -0.12 1.98 2.20 0.12 -4.96 119.74 123.72 3fd7 s LYS 80 Ca 0.40 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3fd7 s LYS 80 Cb -0.17 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 3fd7 s LYS 80 CO 0.16 0.02 0.05 0.15 -0.36 0.00 0.00 175.35 175.37 3fd7 s LYS 81 N 0.76 3.34 0.30 4.03 1.02 -1.26 -0.28 119.74 127.65 3fd7 s LYS 81 Ca -0.07 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 3fd7 s LYS 81 Cb -0.16 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3fd7 s LYS 81 CO -0.00 0.63 0.65 -1.54 -0.92 0.00 0.00 175.35 174.16 3fd7 s SER 82 N -0.64 -0.02 -0.04 2.83 1.04 -0.43 -5.01 113.70 111.42 3fd7 s SER 82 Ca 0.11 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.68 3fd7 s SER 82 Cb -0.12 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 3fd7 s SER 82 CO 0.02 -1.37 -0.22 0.42 0.98 0.00 0.00 173.24 173.07 3fd7 s THR 83 N -3.46 1.78 0.06 2.02 -4.23 -1.26 -0.39 115.64 110.16 3fd7 s THR 83 Ca 0.17 -0.92 -0.27 0.00 -1.18 0.00 0.00 61.69 59.49 3fd7 s THR 83 Cb -0.04 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.39 3fd7 s THR 83 CO 0.10 0.50 0.89 0.21 -0.54 0.00 0.00 174.62 175.78 3fd7 s ASN 84 N -0.19 -0.32 0.78 3.99 3.84 -0.62 -4.91 114.94 117.51 3fd7 s ASN 84 Ca -0.01 -0.14 -0.11 0.00 0.21 0.00 0.00 52.86 52.81 3fd7 s ASN 84 Cb -0.12 0.44 0.06 0.00 -0.55 0.00 0.00 41.25 41.08 3fd7 s ASN 84 CO 0.02 -0.75 1.09 -0.54 -2.79 0.00 0.00 177.10 174.12 3fd7 s LYS 85 N -3.24 2.21 0.21 0.43 1.02 -1.26 -0.85 119.74 118.27 3fd7 s LYS 85 Ca 0.07 0.78 -0.10 0.00 0.02 0.00 0.00 55.97 56.74 3fd7 s LYS 85 Cb -0.01 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 3fd7 s LYS 85 CO -0.05 -1.56 0.37 -0.59 -0.92 0.00 0.00 175.35 172.59 3fd7 s PHE 86 N -3.08 0.47 0.04 3.18 -0.12 -1.26 -0.69 117.98 116.51 3fd7 s PHE 86 Ca 0.60 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.75 3fd7 s PHE 86 Cb -0.15 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 3fd7 s PHE 86 CO 0.55 -0.86 -0.21 0.00 -0.05 0.00 0.00 175.22 174.65 3fd7 s ALA 87 N -4.02 2.46 0.18 1.99 0.00 0.17 -0.82 121.76 121.72 3fd7 s ALA 87 Ca 0.23 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3fd7 s ALA 87 Cb 0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 3fd7 s ALA 87 CO 0.06 0.56 -0.06 0.14 0.00 0.00 0.00 175.76 176.46 3fd7 s VAL 88 N -0.87 1.10 -0.24 0.00 -7.23 -0.51 -0.37 120.40 112.28 3fd7 s VAL 88 Ca 0.13 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 3fd7 s VAL 88 Cb -0.10 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3fd7 s VAL 88 CO 0.04 -0.57 0.64 -0.89 -0.31 0.00 0.00 175.10 174.01 3fd7 s THR 89 N -3.37 4.98 -0.07 5.32 2.01 -0.05 -0.73 115.64 123.74 3fd7 s THR 89 Ca 0.22 1.17 -0.16 0.00 0.31 0.00 0.00 61.69 63.23 3fd7 s THR 89 Cb 0.04 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3fd7 s THR 89 CO 0.04 0.04 0.41 0.00 -0.69 0.00 0.00 174.62 174.42 3fd7 s GLU 91 N -0.24 0.28 -1.57 0.00 2.02 -0.52 -1.58 118.70 117.10 3fd7 s GLU 91 Ca 0.23 0.55 -0.07 0.00 0.02 0.00 0.00 54.97 55.70 3fd7 s GLU 91 Cb -0.15 -0.02 0.06 0.00 0.10 0.00 0.00 34.13 34.12 3fd7 s GLU 91 CO 0.11 -0.13 0.41 0.09 0.02 0.00 0.00 175.26 175.75 3fd7 n ASN 92 N 3.87 -0.82 -0.57 -0.19 3.02 -0.12 -1.87 115.26 118.58 3fd7 n ASN 92 Ca -0.21 -1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 53.15 3fd7 n ASN 92 Cb 0.55 -2.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.28 3fd7 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fd7 n GLN 93 N -4.41 -0.66 -3.92 3.52 6.02 0.61 -4.99 117.38 113.55 3fd7 n GLN 93 Ca -0.18 0.71 -0.10 0.00 -0.01 0.00 0.00 57.00 57.42 3fd7 n GLN 93 Cb 0.62 -4.55 -0.10 0.00 1.02 0.00 0.00 30.24 27.23 3fd7 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fd7 s ALA 94 N -2.20 -0.12 0.18 -1.58 0.00 -0.78 -4.42 121.76 112.84 3fd7 s ALA 94 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 3fd7 s ALA 94 Cb 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 23.15 3fd7 s ALA 94 CO 0.00 -0.19 1.53 -2.14 0.00 0.00 0.00 175.76 174.97 3fd7 s PRO 95 N -1.43 4.23 0.00 0.00 0.02 -1.26 -1.43 135.00 135.13 3fd7 s PRO 95 Ca -0.15 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3fd7 s PRO 95 Cb -0.09 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3fd7 s PRO 95 CO 0.00 -0.56 0.21 1.33 -0.33 0.00 0.00 177.00 177.65 3fd7 n VAL 96 N 3.62 0.00 -3.50 3.83 0.24 -0.11 -3.94 118.33 118.47 3fd7 n VAL 96 Ca 0.12 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 3fd7 n VAL 96 Cb 0.39 1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.88 3fd7 n VAL 96 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3fd7 s HIS 97 N -0.29 -0.56 -0.30 6.34 3.76 -1.23 -3.81 115.29 119.19 3fd7 s HIS 97 Ca 0.00 0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 55.59 3fd7 s HIS 97 Cb 0.00 0.46 -0.02 0.00 1.11 0.00 0.00 32.58 34.13 3fd7 s HIS 97 CO 0.00 -0.62 0.18 0.12 -0.85 0.00 0.00 174.74 173.57 3fd7 s PHE 98 N -1.95 3.19 -0.12 1.40 2.19 -1.26 -0.87 117.98 120.56 3fd7 s PHE 98 Ca -0.05 -0.25 -0.21 0.00 0.33 0.00 0.00 56.93 56.74 3fd7 s PHE 98 Cb -0.00 -2.38 -0.26 0.00 -1.31 0.00 0.00 43.02 39.06 3fd7 s PHE 98 CO 0.02 -0.33 0.61 0.28 1.83 0.00 0.00 175.22 177.63 3fd7 h VAL 99 N 5.52 1.28 0.00 3.12 2.07 -1.02 -3.48 116.25 123.74 3fd7 h VAL 99 Ca -0.33 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.81 3fd7 h VAL 99 Cb 1.17 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3fd7 h VAL 99 CO 0.60 0.62 0.00 0.61 0.02 0.00 0.00 177.57 179.41 3fd7 n GLY 100 N 1.64 1.48 3.84 2.17 0.00 -1.15 -4.98 105.19 108.20 3fd7 n GLY 100 Ca -0.21 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 3fd7 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fd7 s VAL 101 N -2.00 4.93 0.00 1.61 1.01 -1.26 -0.65 120.40 124.04 3fd7 s VAL 101 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3fd7 s VAL 101 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3fd7 s VAL 101 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3fd7 n GLY 102 N 1.44 -2.10 0.53 4.51 0.00 0.13 -4.93 105.19 104.77 3fd7 n GLY 102 Ca -0.10 -1.55 0.07 0.00 0.00 0.00 0.00 46.02 44.43 3fd7 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18