#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 1.04 -0.45 2.11 -0.00 -1.84 -0.34 115.95 116.47 3fd7 h TRP 3 Ca 0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.89 58.64 3fd7 h TRP 3 Cb 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 3fd7 h TRP 3 CO 0.00 0.90 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.15 3fd7 h LEU 4 N 0.91 0.81 -0.32 0.65 3.38 -1.98 -0.90 115.31 117.86 3fd7 h LEU 4 Ca 0.18 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 3fd7 h LEU 4 Cb 0.46 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fd7 h LEU 4 CO 0.02 0.95 -0.76 0.74 0.09 0.00 0.00 178.44 179.47 3fd7 h THR 5 N 0.74 1.36 -0.69 0.22 2.02 -1.91 -2.64 112.91 112.01 3fd7 h THR 5 Ca 0.12 -2.13 0.09 0.00 0.77 0.00 0.00 66.41 65.26 3fd7 h THR 5 Cb 0.62 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 69.07 3fd7 h THR 5 CO 0.04 0.65 0.34 0.15 0.37 0.00 0.00 175.52 177.07 3fd7 h PHE 6 N 0.33 0.60 -0.53 3.16 3.57 -0.73 -1.16 116.94 122.19 3fd7 h PHE 6 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3fd7 h PHE 6 Cb 1.36 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 3fd7 h PHE 6 CO 0.06 0.22 0.28 1.96 -2.23 0.00 0.00 178.31 178.60 3fd7 h GLN 7 N 0.58 0.74 -0.37 1.11 4.20 -1.07 0.16 115.11 120.47 3fd7 h GLN 7 Ca 0.33 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3fd7 h GLN 7 Cb 0.34 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3fd7 h GLN 7 CO -0.26 0.59 0.13 0.87 -0.67 0.00 0.00 178.83 179.48 3fd7 h LYS 8 N 0.70 0.52 0.00 1.46 1.57 -1.01 -2.92 116.57 116.89 3fd7 h LYS 8 Ca 0.18 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3fd7 h LYS 8 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3fd7 h LYS 8 CO -0.03 0.45 -1.54 1.63 -0.57 0.00 0.00 179.45 179.39 3fd7 n LYS 9 N -4.37 0.63 0.00 3.15 5.02 -0.50 -4.70 118.16 117.39 3fd7 n LYS 9 Ca 0.02 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3fd7 n LYS 9 Cb 0.16 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3fd7 n LYS 9 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3fd7 n HIS 10 N -2.64 0.00 -4.57 2.13 8.25 0.00 -4.79 115.22 113.60 3fd7 n HIS 10 Ca -0.08 -0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 56.99 3fd7 n HIS 10 Cb 0.71 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.11 3.72 -0.00 1.59 -1.09 -1.11 0.46 121.20 124.66 3fd7 s ILE 11 Ca 0.00 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 3fd7 s ILE 11 Cb 0.00 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 3fd7 s ILE 11 CO 0.00 0.57 -0.13 0.28 -1.23 0.00 0.00 174.94 174.42 3fd7 s THR 12 N -0.42 1.05 -2.23 2.92 -1.32 -0.06 -4.80 115.64 110.78 3fd7 s THR 12 Ca 0.06 -0.65 0.29 0.00 -1.21 0.00 0.00 61.69 60.19 3fd7 s THR 12 Cb -0.12 -0.89 0.65 0.00 -1.51 0.00 0.00 72.50 70.62 3fd7 s THR 12 CO 0.02 0.23 1.91 -0.46 -2.21 0.00 0.00 174.62 174.11 3fd7 n ASN 13 N 2.58 0.90 -3.85 8.08 0.23 -1.26 -2.63 115.26 119.31 3fd7 n ASN 13 Ca -0.15 -1.23 -0.12 0.00 -0.53 0.00 0.00 54.58 52.56 3fd7 n ASN 13 Cb 0.55 -0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.13 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 -2.07 0.03 0.32 5.53 -1.32 -1.26 -4.93 115.64 111.94 3fd7 s THR 14 Ca 0.40 -0.25 0.14 0.00 -1.21 0.00 0.00 61.69 60.77 3fd7 s THR 14 Cb 0.21 -0.26 0.09 0.00 -1.51 0.00 0.00 72.50 71.03 3fd7 s THR 14 CO 0.37 -0.14 1.78 0.03 -2.21 0.00 0.00 174.62 174.45 3fd7 h ARG 15 N 5.40 0.00 -3.32 7.08 3.08 -1.98 -3.35 114.38 121.28 3fd7 h ARG 15 Ca -0.27 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.06 3fd7 h ARG 15 Cb 1.20 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.19 3fd7 h ARG 15 CO 0.42 0.41 2.95 -3.47 -1.07 0.00 0.00 179.97 179.20 3fd7 n ASP 16 N -3.90 6.37 -4.74 7.04 2.03 -1.26 -4.80 116.55 117.29 3fd7 n ASP 16 Ca -0.01 -2.89 -0.42 0.00 0.52 0.00 0.00 54.79 51.99 3fd7 n ASP 16 Cb 0.46 -1.53 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 3fd7 n ASP 16 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3fd7 s VAL 17 N 1.39 2.18 -1.35 5.18 1.01 -1.26 -4.88 120.40 122.68 3fd7 s VAL 17 Ca 0.53 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 3fd7 s VAL 17 Cb 0.15 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.54 3fd7 s VAL 17 CO -0.06 0.02 1.96 -0.67 0.00 0.00 0.00 175.10 176.35 3fd7 n ASP 18 N 2.67 4.59 -0.12 3.32 2.03 -1.26 -4.87 116.55 122.92 3fd7 n ASP 18 Ca 0.10 -2.96 -0.06 0.00 0.52 0.00 0.00 54.79 52.39 3fd7 n ASP 18 Cb 0.37 -1.60 0.01 0.00 -0.72 0.00 0.00 41.12 39.18 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 -0.14 0.04 0.06 0.00 3.32 -1.89 -1.59 116.42 116.22 3fd7 h ASP 20 Ca 0.19 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 3fd7 h ASP 20 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3fd7 h ASP 20 CO -0.49 0.15 -1.16 0.78 -1.72 0.00 0.00 179.24 176.80 3fd7 h ASN 21 N 0.05 0.20 0.22 6.45 2.35 -1.72 -3.33 115.58 119.79 3fd7 h ASN 21 Ca 0.01 -0.77 -0.10 0.00 -0.55 0.00 0.00 56.30 54.89 3fd7 h ASN 21 Cb 0.20 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3fd7 h ASN 21 CO 0.01 1.49 -0.39 -0.29 -1.65 0.00 0.00 177.43 176.60 3fd7 h ILE 22 N -0.62 1.30 0.00 2.81 2.10 -0.94 -3.07 117.51 119.09 3fd7 h ILE 22 Ca -0.27 -1.47 -0.10 0.00 1.08 0.00 0.00 64.86 64.09 3fd7 h ILE 22 Cb 1.50 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 38.87 3fd7 h ILE 22 CO -0.04 0.44 -0.48 0.24 -1.08 0.00 0.00 178.15 177.23 3fd7 h MET 23 N 0.20 0.00 -2.42 2.19 2.86 -1.48 -3.30 114.93 112.98 3fd7 h MET 23 Ca 0.02 0.00 -0.75 0.00 -2.06 0.00 0.00 59.70 56.91 3fd7 h MET 23 Cb 0.79 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.26 3fd7 h MET 23 CO 0.06 0.48 1.74 -1.13 1.06 0.00 0.00 176.91 179.12 3fd7 n SER 24 N -3.30 7.69 -4.32 1.22 3.41 -1.16 -0.75 113.62 116.40 3fd7 n SER 24 Ca 0.01 -3.37 -0.17 0.00 -0.26 0.00 0.00 58.87 55.08 3fd7 n SER 24 Cb 0.68 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 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 -2.53 0.62 0.25 6.66 -4.23 -1.24 -4.97 115.64 110.19 3fd7 s THR 25 Ca 0.49 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.27 3fd7 s THR 25 Cb 0.21 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.71 3fd7 s THR 25 CO -0.13 -0.02 1.96 -0.55 -0.54 0.00 0.00 174.62 175.33 3fd7 h ASN 26 N 2.38 0.00 -0.22 3.99 7.08 -1.91 0.42 115.58 127.32 3fd7 h ASN 26 Ca -0.38 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.80 3fd7 h ASN 26 Cb 1.24 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.48 3fd7 h ASN 26 CO 0.62 0.15 -0.01 0.25 -2.08 0.00 0.00 177.43 176.35 3fd7 h LEU 27 N 0.00 0.38 0.00 6.14 5.85 -1.93 -3.33 115.31 122.42 3fd7 h LEU 27 Ca -0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3fd7 h LEU 27 Cb 0.54 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3fd7 h LEU 27 CO 0.02 0.61 -1.52 0.49 -0.34 0.00 0.00 178.44 177.70 3fd7 n PHE 28 N -4.66 0.00 -4.32 1.25 3.72 -1.18 -5.01 117.46 107.26 3fd7 n PHE 28 Ca -0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 3fd7 n PHE 28 Cb 0.24 -0.29 -0.09 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.91 -1.29 -2.32 1.38 1.44 0.15 -1.35 115.22 111.31 3fd7 n HIS 29 Ca -0.02 0.64 -0.20 0.00 -2.01 0.00 0.00 57.72 56.13 3fd7 n HIS 29 Cb 0.39 -2.74 -0.02 0.00 0.12 0.00 0.00 29.99 27.74 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 -4.91 1.35 0.33 0.00 -2.85 -0.45 -4.60 119.74 108.61 3fd7 s LYS 31 Ca 0.00 1.44 0.09 0.00 -1.00 0.00 0.00 55.97 56.50 3fd7 s LYS 31 Cb 0.00 -1.77 0.58 0.00 -2.06 0.00 0.00 37.83 34.57 3fd7 s LYS 31 CO 0.00 -2.36 1.76 -0.44 0.10 0.00 0.00 175.35 174.41 3fd7 h ASP 32 N -1.67 0.15 -4.13 0.03 3.32 -1.92 -3.44 116.42 108.75 3fd7 h ASP 32 Ca -0.43 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 3fd7 h ASP 32 Cb 1.26 -0.04 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 3fd7 h ASP 32 CO 0.44 0.52 -0.07 -0.75 -1.72 0.00 0.00 179.24 177.66 3fd7 s LYS 33 N -4.20 0.68 -0.03 3.56 2.20 -1.26 -0.96 119.74 119.73 3fd7 s LYS 33 Ca -0.04 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3fd7 s LYS 33 Cb 0.14 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 3fd7 s LYS 33 CO 0.75 -0.11 0.06 1.21 -0.36 0.00 0.00 175.35 176.91 3fd7 s ASN 34 N -0.00 -0.02 -0.23 1.43 2.47 -0.91 -4.99 114.94 112.69 3fd7 s ASN 34 Ca -0.02 0.12 -0.12 0.00 0.42 0.00 0.00 52.86 53.26 3fd7 s ASN 34 Cb -0.04 0.06 -0.05 0.00 -1.45 0.00 0.00 41.25 39.77 3fd7 s ASN 34 CO 0.02 -0.09 0.23 -0.89 -3.72 0.00 0.00 177.10 172.65 3fd7 s THR 35 N 0.71 5.32 -0.12 -5.21 2.01 -1.26 -1.41 115.64 115.67 3fd7 s THR 35 Ca -0.06 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.25 3fd7 s THR 35 Cb -0.08 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3fd7 s THR 35 CO -0.03 0.32 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.84 3fd7 s PHE 36 N 1.09 3.06 -0.24 4.92 0.40 0.55 -4.56 117.98 123.20 3fd7 s PHE 36 Ca 0.11 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 3fd7 s PHE 36 Cb -0.14 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 3fd7 s PHE 36 CO 0.05 0.19 0.23 0.42 0.70 0.00 0.00 175.22 176.81 3fd7 s ILE 37 N -0.20 5.31 -0.54 0.64 1.01 0.17 -0.97 121.20 126.61 3fd7 s ILE 37 Ca 0.04 0.32 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 3fd7 s ILE 37 Cb -0.13 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.81 3fd7 s ILE 37 CO 0.02 0.30 1.15 -0.47 0.00 0.00 0.00 174.94 175.94 3fd7 s TYR 38 N 1.26 2.69 0.00 3.97 5.04 -0.65 -0.88 117.35 128.78 3fd7 s TYR 38 Ca 0.11 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 3fd7 s TYR 38 Cb -0.14 -4.44 0.00 0.00 0.35 0.00 0.00 41.96 37.73 3fd7 s TYR 38 CO 0.06 -1.46 0.00 0.45 -1.34 0.00 0.00 175.55 173.26 3fd7 n SER 39 N 8.15 0.00 -4.79 4.32 2.88 -1.08 -4.65 113.62 118.46 3fd7 n SER 39 Ca 0.09 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.30 3fd7 n SER 39 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 3fd7 n SER 39 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3fd7 s ARG 40 N -2.00 3.08 0.22 -1.46 0.52 -1.26 -4.49 118.95 113.56 3fd7 s ARG 40 Ca 0.00 1.31 -0.07 0.00 -0.52 0.00 0.00 55.73 56.44 3fd7 s ARG 40 Cb 0.00 -1.99 0.19 0.00 0.52 0.00 0.00 34.95 33.66 3fd7 s ARG 40 CO 0.00 -1.02 1.83 -1.35 0.02 0.00 0.00 175.30 174.78 3fd7 h PRO 41 N 0.28 1.22 -0.51 3.54 0.11 -1.97 -3.28 132.00 131.39 3fd7 h PRO 41 Ca -0.47 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3fd7 h PRO 41 Cb 1.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3fd7 h PRO 41 CO 0.56 0.92 0.25 0.93 -0.21 0.00 0.00 178.00 180.45 3fd7 h GLU 42 N 1.21 0.74 0.00 1.05 3.07 -2.01 -1.62 114.58 117.02 3fd7 h GLU 42 Ca 0.30 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 3fd7 h GLU 42 Cb 0.09 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3fd7 h GLU 42 CO -0.04 0.61 -0.11 -1.35 -1.40 0.00 0.00 179.01 176.72 3fd7 h PRO 43 N 0.69 0.00 -0.33 2.33 0.11 -1.98 -2.15 132.00 130.67 3fd7 h PRO 43 Ca 0.18 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.12 3fd7 h PRO 43 Cb 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3fd7 h PRO 43 CO -0.02 0.11 -0.47 0.28 -0.21 0.00 0.00 178.00 177.69 3fd7 h VAL 44 N 0.00 1.28 -0.83 3.15 2.07 -1.41 -2.95 116.25 117.55 3fd7 h VAL 44 Ca -0.00 -1.65 0.13 0.00 0.82 0.00 0.00 66.70 66.00 3fd7 h VAL 44 Cb 0.23 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3fd7 h VAL 44 CO 0.01 0.54 0.54 0.50 0.02 0.00 0.00 177.57 179.19 3fd7 h LYS 45 N 0.69 0.61 0.00 1.57 3.64 -0.80 -1.44 116.57 120.84 3fd7 h LYS 45 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fd7 h LYS 45 Cb 1.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3fd7 h LYS 45 CO 0.11 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 3fd7 n ALA 46 N -2.46 1.37 0.10 5.00 0.00 -1.10 -1.80 120.51 121.61 3fd7 n ALA 46 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.85 3fd7 n ALA 46 Cb 0.45 -1.33 0.63 0.00 0.00 0.00 0.00 19.45 19.20 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 0.88 -0.68 0.00 2.04 -1.36 -2.49 117.51 115.91 3fd7 h ILE 47 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3fd7 h ILE 47 Cb 0.19 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3fd7 h ILE 47 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.16 3fd7 n LYS 49 N 1.36 2.18 -0.31 0.00 4.81 -0.94 -1.55 118.16 123.72 3fd7 n LYS 49 Ca 0.24 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 3fd7 n LYS 49 Cb 0.72 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 2.68 1.94 3.50 3.14 0.00 -1.26 -5.00 105.19 110.19 3fd7 n GLY 50 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.14 5.16 -0.07 -0.61 1.01 -0.60 -4.97 121.20 117.98 3fd7 s ILE 51 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3fd7 s ILE 51 Cb 0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3fd7 s ILE 51 CO 0.00 -0.05 -0.12 -0.38 0.00 0.00 0.00 174.94 174.38 3fd7 n ILE 52 N 5.09 0.57 -2.24 2.92 2.08 -1.26 -0.25 119.36 126.27 3fd7 n ILE 52 Ca -0.12 0.37 -0.38 0.00 0.56 0.00 0.00 62.75 63.18 3fd7 n ILE 52 Cb 0.49 -1.83 -0.01 0.00 -0.75 0.00 0.00 39.64 37.54 3fd7 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fd7 s ALA 53 N -2.95 3.07 -0.19 -1.39 0.00 -1.26 -0.70 121.76 118.33 3fd7 s ALA 53 Ca -0.10 0.99 -0.40 0.00 0.00 0.00 0.00 51.96 52.45 3fd7 s ALA 53 Cb 0.01 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3fd7 s ALA 53 CO 0.15 -0.65 1.61 0.43 0.00 0.00 0.00 175.76 177.30 3fd7 n SER 54 N -0.22 2.05 -3.68 0.00 7.64 -1.25 -4.70 113.62 113.45 3fd7 n SER 54 Ca 0.06 1.10 -0.11 0.00 1.01 0.00 0.00 58.87 60.93 3fd7 n SER 54 Cb 0.47 -1.13 -0.09 0.00 -1.01 0.00 0.00 64.21 62.45 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 2.59 0.55 -0.01 1.43 2.20 -0.67 -4.98 119.74 120.86 3fd7 s LYS 55 Ca 0.95 0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 57.15 3fd7 s LYS 55 Cb -1.07 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 35.35 3fd7 s LYS 55 CO 0.61 -0.12 0.87 -0.80 -0.36 0.00 0.00 175.35 175.55 3fd7 s ASN 56 N 1.02 7.24 -0.05 1.43 0.02 -1.26 -0.26 114.94 123.08 3fd7 s ASN 56 Ca -0.06 1.50 0.02 0.00 -1.02 0.00 0.00 52.86 53.30 3fd7 s ASN 56 Cb -0.06 -2.51 0.01 0.00 0.02 0.00 0.00 41.25 38.71 3fd7 s ASN 56 CO -0.09 -0.17 -0.11 -0.69 0.02 0.00 0.00 177.10 176.06 3fd7 s VAL 57 N 0.76 1.00 -0.03 1.60 1.01 0.27 -4.96 120.40 120.05 3fd7 s VAL 57 Ca 0.46 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 3fd7 s VAL 57 Cb -0.20 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3fd7 s VAL 57 CO 0.24 0.32 0.59 -0.22 0.00 0.00 0.00 175.10 176.04 3fd7 s LEU 58 N 0.56 4.39 0.61 3.92 2.96 -1.26 -1.67 118.68 128.18 3fd7 s LEU 58 Ca -0.11 1.12 -0.19 0.00 -0.22 0.00 0.00 54.13 54.73 3fd7 s LEU 58 Cb -0.14 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 3fd7 s LEU 58 CO 0.02 0.06 1.22 0.35 -1.32 0.00 0.00 176.35 176.69 3fd7 n THR 59 N 2.98 4.30 0.06 3.68 -2.24 -0.01 -4.94 114.28 118.11 3fd7 n THR 59 Ca -0.06 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 3fd7 n THR 59 Cb 0.51 -1.44 -0.07 0.00 -2.10 0.00 0.00 70.33 67.23 3fd7 n THR 59 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fd7 h THR 60 N 0.78 0.79 -2.53 4.28 1.35 -1.96 -3.44 112.91 112.17 3fd7 h THR 60 Ca -0.50 -2.32 -0.54 0.00 -0.55 0.00 0.00 66.41 62.50 3fd7 h THR 60 Cb 1.34 2.28 -0.04 0.00 -1.73 0.00 0.00 68.15 70.01 3fd7 h THR 60 CO 0.54 0.45 -0.49 -0.55 -0.25 0.00 0.00 175.52 175.21 3fd7 s SER 61 N -6.11 6.07 0.62 5.36 0.15 -1.26 -5.10 113.70 113.43 3fd7 s SER 61 Ca -0.01 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.57 3fd7 s SER 61 Cb 0.08 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 3fd7 s SER 61 CO 0.80 0.04 1.04 -1.61 1.20 0.00 0.00 173.24 174.70 3fd7 s GLU 62 N -3.32 3.35 0.23 5.44 2.02 -1.26 -4.53 118.70 120.62 3fd7 s GLU 62 Ca 0.33 0.98 0.05 0.00 0.02 0.00 0.00 54.97 56.35 3fd7 s GLU 62 Cb -0.10 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 3fd7 s GLU 62 CO 0.27 -0.77 -0.06 -0.06 0.02 0.00 0.00 175.26 174.66 3fd7 s PHE 63 N -2.85 1.65 -0.36 1.61 0.40 0.37 -4.89 117.98 113.92 3fd7 s PHE 63 Ca 0.59 -0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 55.94 3fd7 s PHE 63 Cb -0.13 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3fd7 s PHE 63 CO 0.46 0.15 0.69 0.71 0.70 0.00 0.00 175.22 177.92 3fd7 s TYR 64 N -3.20 3.14 0.07 0.36 2.02 -1.26 -1.38 117.35 117.10 3fd7 s TYR 64 Ca 0.26 0.42 0.05 0.00 -0.37 0.00 0.00 57.07 57.43 3fd7 s TYR 64 Cb 0.03 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.33 3fd7 s TYR 64 CO 0.08 -0.66 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.84 3fd7 s LEU 65 N 2.84 3.29 -0.16 -1.29 1.43 0.49 -1.64 118.68 123.64 3fd7 s LEU 65 Ca 0.27 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3fd7 s LEU 65 Cb -0.14 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3fd7 s LEU 65 CO 0.15 0.20 -0.10 -0.44 0.23 0.00 0.00 176.35 176.40 3fd7 s SER 66 N -2.08 2.78 -0.12 2.29 0.01 -0.14 -0.97 113.70 115.47 3fd7 s SER 66 Ca 0.23 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 3fd7 s SER 66 Cb -0.11 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 3fd7 s SER 66 CO 0.15 -0.12 0.10 -1.81 0.41 0.00 0.00 173.24 171.96 3fd7 s ASP 67 N 1.55 6.03 -0.29 2.44 1.01 0.52 -0.33 116.67 127.59 3fd7 s ASP 67 Ca 0.02 0.34 -0.08 0.00 0.71 0.00 0.00 52.55 53.54 3fd7 s ASP 67 Cb -0.14 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 3fd7 s ASP 67 CO -0.09 0.37 0.12 0.00 0.21 0.00 0.00 175.17 175.78 3fd7 s ASN 69 N 1.59 3.72 0.59 0.00 0.01 -0.61 -2.14 114.94 118.09 3fd7 s ASN 69 Ca 0.05 -0.38 -0.18 0.00 -0.71 0.00 0.00 52.86 51.63 3fd7 s ASN 69 Cb -0.17 -1.43 -0.03 0.00 0.41 0.00 0.00 41.25 40.03 3fd7 s ASN 69 CO 0.05 0.19 1.16 0.54 -1.51 0.00 0.00 177.10 177.53 3fd7 s VAL 70 N 0.21 2.89 0.00 1.60 0.11 -0.13 -1.00 120.40 124.08 3fd7 s VAL 70 Ca -0.10 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 3fd7 s VAL 70 Cb -0.16 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 3fd7 s VAL 70 CO 0.06 -0.15 0.00 0.35 -3.33 0.00 0.00 175.10 172.03 3fd7 n THR 71 N -1.66 0.00 0.25 5.04 -2.24 0.20 -4.81 114.28 111.06 3fd7 n THR 71 Ca 0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 3fd7 n THR 71 Cb 0.50 -0.90 0.65 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.64 3.42 4.64 -1.97 -3.41 113.55 112.59 3fd7 h SER 72 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 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 0.15 -0.11 -0.13 -0.87 0.00 0.00 176.83 175.88 3fd7 s ARG 73 N -4.08 4.02 0.26 4.77 0.52 -1.26 -5.03 118.95 118.15 3fd7 s ARG 73 Ca -0.02 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 3fd7 s ARG 73 Cb 0.13 -3.66 -0.14 0.00 0.52 0.00 0.00 34.95 31.79 3fd7 s ARG 73 CO 0.60 -0.34 1.12 -2.30 0.02 0.00 0.00 175.30 174.40 3fd7 n PRO 74 N 5.47 1.49 -1.80 3.54 -0.02 -1.26 -1.65 135.00 140.77 3fd7 n PRO 74 Ca -0.06 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 3fd7 n PRO 74 Cb 0.50 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 -3.98 1.96 0.11 0.00 -0.14 -0.66 -4.83 119.74 112.21 3fd7 s LYS 76 Ca 0.00 -1.03 0.03 0.00 -1.36 0.00 0.00 55.97 53.61 3fd7 s LYS 76 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 3fd7 s LYS 76 CO 0.00 0.53 -0.09 0.71 -0.76 0.00 0.00 175.35 175.75 3fd7 s TYR 77 N -0.82 1.05 -0.05 3.18 1.51 -1.26 -0.63 117.35 120.33 3fd7 s TYR 77 Ca 0.13 -0.79 0.07 0.00 -1.01 0.00 0.00 57.07 55.46 3fd7 s TYR 77 Cb -0.10 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 3fd7 s TYR 77 CO 0.03 -0.03 -0.25 0.15 -1.11 0.00 0.00 175.55 174.33 3fd7 s LYS 78 N -3.50 2.42 0.01 -0.62 -0.14 -0.17 -4.79 119.74 112.96 3fd7 s LYS 78 Ca 0.11 -0.91 -0.28 0.00 -1.36 0.00 0.00 55.97 53.54 3fd7 s LYS 78 Cb 0.02 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 3fd7 s LYS 78 CO -0.02 0.44 0.88 -1.17 -0.76 0.00 0.00 175.35 174.72 3fd7 s LEU 79 N -0.30 4.40 -0.12 3.17 2.96 -1.26 -1.58 118.68 125.94 3fd7 s LEU 79 Ca 0.01 1.54 -0.01 0.00 -0.22 0.00 0.00 54.13 55.45 3fd7 s LEU 79 Cb -0.13 -3.41 0.03 0.00 0.50 0.00 0.00 46.19 43.19 3fd7 s LEU 79 CO 0.02 -0.14 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.10 3fd7 s LYS 80 N 0.58 1.43 -0.00 1.98 2.20 -0.03 -4.98 119.74 120.92 3fd7 s LYS 80 Ca 0.45 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.67 3fd7 s LYS 80 Cb -0.21 -1.63 -0.05 0.00 -1.51 0.00 0.00 37.83 34.43 3fd7 s LYS 80 CO 0.25 -0.31 0.34 0.15 -0.36 0.00 0.00 175.35 175.42 3fd7 s LYS 81 N 1.72 3.74 0.17 4.03 1.02 -1.26 -0.36 119.74 128.80 3fd7 s LYS 81 Ca 0.04 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.09 3fd7 s LYS 81 Cb -0.13 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 3fd7 s LYS 81 CO -0.08 0.67 0.37 -1.54 -0.92 0.00 0.00 175.35 173.85 3fd7 s SER 82 N -1.33 -0.08 -0.22 2.83 1.04 -0.14 -5.00 113.70 110.79 3fd7 s SER 82 Ca 0.25 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 3fd7 s SER 82 Cb -0.15 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3fd7 s SER 82 CO 0.13 -0.94 -0.11 -0.89 0.98 0.00 0.00 173.24 172.41 3fd7 s THR 83 N -3.92 2.61 0.08 2.02 2.01 -1.26 -0.38 115.64 116.80 3fd7 s THR 83 Ca 0.13 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 3fd7 s THR 83 Cb 0.02 -2.25 0.08 0.00 0.01 0.00 0.00 72.50 70.36 3fd7 s THR 83 CO -0.02 0.32 0.72 0.21 -0.69 0.00 0.00 174.62 175.17 3fd7 s ASN 84 N 1.31 -0.49 0.74 3.53 3.84 -0.48 -4.90 114.94 118.50 3fd7 s ASN 84 Ca 0.02 0.03 -0.11 0.00 0.21 0.00 0.00 52.86 53.01 3fd7 s ASN 84 Cb -0.15 0.51 0.04 0.00 -0.55 0.00 0.00 41.25 41.09 3fd7 s ASN 84 CO -0.07 -0.81 1.09 -0.54 -2.79 0.00 0.00 177.10 173.97 3fd7 s LYS 85 N -3.37 2.53 0.17 0.43 1.02 -1.26 -0.48 119.74 118.79 3fd7 s LYS 85 Ca 0.02 0.64 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 3fd7 s LYS 85 Cb -0.01 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3fd7 s LYS 85 CO -0.10 -1.31 0.29 -0.59 -0.92 0.00 0.00 175.35 172.72 3fd7 s PHE 86 N -3.20 0.43 0.04 3.18 -0.12 -1.26 -0.72 117.98 116.32 3fd7 s PHE 86 Ca 0.59 -0.78 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 3fd7 s PHE 86 Cb -0.13 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 3fd7 s PHE 86 CO 0.54 -0.74 -0.16 0.00 -0.05 0.00 0.00 175.22 174.81 3fd7 s ALA 87 N -3.98 2.70 0.09 1.99 0.00 0.48 -0.83 121.76 122.21 3fd7 s ALA 87 Ca 0.18 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3fd7 s ALA 87 Cb 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3fd7 s ALA 87 CO 0.01 0.59 -0.06 0.14 0.00 0.00 0.00 175.76 176.44 3fd7 s VAL 88 N -0.97 0.63 -0.22 0.00 -7.23 -0.67 -0.89 120.40 111.06 3fd7 s VAL 88 Ca 0.16 -1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 3fd7 s VAL 88 Cb -0.11 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3fd7 s VAL 88 CO 0.06 -0.87 0.83 -0.89 -0.31 0.00 0.00 175.10 173.93 3fd7 s THR 89 N -3.57 4.85 -0.05 5.32 2.01 0.07 -0.56 115.64 123.69 3fd7 s THR 89 Ca 0.10 1.59 -0.12 0.00 0.31 0.00 0.00 61.69 63.57 3fd7 s THR 89 Cb 0.05 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3fd7 s THR 89 CO -0.05 -0.05 0.31 0.00 -0.69 0.00 0.00 174.62 174.15 3fd7 s GLU 91 N -0.89 0.44 -1.56 0.00 2.12 -0.43 -1.68 118.70 116.70 3fd7 s GLU 91 Ca 0.20 0.81 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 3fd7 s GLU 91 Cb -0.15 0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.36 3fd7 s GLU 91 CO 0.09 -0.15 0.80 0.09 -0.54 0.00 0.00 175.26 175.56 3fd7 n ASN 92 N 4.08 -3.27 -0.80 -1.70 3.02 0.12 -2.03 115.26 114.68 3fd7 n ASN 92 Ca -0.22 -0.91 -0.10 0.00 -0.03 0.00 0.00 54.58 53.33 3fd7 n ASN 92 Cb 0.56 -3.34 -0.04 0.00 -0.61 0.00 0.00 39.78 36.35 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 -4.50 -0.71 -3.93 3.52 6.02 0.65 -4.99 117.38 113.45 3fd7 n GLN 93 Ca -0.03 0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 57.69 3fd7 n GLN 93 Cb 0.55 -4.76 -0.10 0.00 1.02 0.00 0.00 30.24 26.94 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 -2.38 -0.08 0.15 -1.58 0.00 -0.86 -4.27 121.76 112.73 3fd7 s ALA 94 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 3fd7 s ALA 94 Cb 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 3fd7 s ALA 94 CO 0.00 -0.19 1.37 -2.14 0.00 0.00 0.00 175.76 174.80 3fd7 s PRO 95 N -1.48 4.34 0.00 0.00 0.02 -1.26 -1.32 135.00 135.29 3fd7 s PRO 95 Ca -0.15 2.09 0.02 0.00 0.02 0.00 0.00 61.00 62.97 3fd7 s PRO 95 Cb -0.09 -3.22 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 3fd7 s PRO 95 CO -0.00 -0.38 0.29 1.33 -0.33 0.00 0.00 177.00 177.90 3fd7 n VAL 96 N 3.47 0.00 -3.63 3.83 0.24 0.17 -3.40 118.33 119.00 3fd7 n VAL 96 Ca 0.10 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 3fd7 n VAL 96 Cb 0.42 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 3fd7 n VAL 96 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3fd7 s HIS 97 N -0.68 -0.65 -0.26 6.34 5.65 -1.24 -3.09 115.29 121.37 3fd7 s HIS 97 Ca 0.01 1.58 -0.17 0.00 0.25 0.00 0.00 55.06 56.73 3fd7 s HIS 97 Cb 0.01 0.32 -0.03 0.00 -1.18 0.00 0.00 32.58 31.70 3fd7 s HIS 97 CO 0.04 -0.31 0.46 0.12 -0.65 0.00 0.00 174.74 174.40 3fd7 s PHE 98 N 0.36 3.27 -0.17 3.88 2.19 -1.26 -0.75 117.98 125.50 3fd7 s PHE 98 Ca 0.01 0.56 -0.18 0.00 0.33 0.00 0.00 56.93 57.65 3fd7 s PHE 98 Cb -0.05 -2.65 -0.15 0.00 -1.31 0.00 0.00 43.02 38.86 3fd7 s PHE 98 CO -0.03 -0.24 0.22 0.28 1.83 0.00 0.00 175.22 177.28 3fd7 h VAL 99 N 5.36 0.79 0.00 3.12 2.07 -1.34 -3.48 116.25 122.78 3fd7 h VAL 99 Ca -0.30 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3fd7 h VAL 99 Cb 1.15 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3fd7 h VAL 99 CO 0.69 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.16 3fd7 n GLY 100 N 1.55 -0.05 3.88 2.17 0.00 -1.12 -4.98 105.19 106.63 3fd7 n GLY 100 Ca -0.19 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 5.16 1.07 1.61 1.01 -1.26 -0.38 120.40 125.60 3fd7 s VAL 101 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 3fd7 s VAL 101 Cb 0.00 -3.62 0.23 0.00 0.00 0.00 0.00 36.38 32.99 3fd7 s VAL 101 CO 0.00 0.26 1.07 -0.83 0.00 0.00 0.00 175.10 175.60 3fd7 s GLY 102 N -1.86 1.56 0.00 4.51 0.00 0.10 -4.88 107.32 106.74 3fd7 s GLY 102 Ca 0.33 -0.27 0.31 0.00 0.00 0.00 0.00 44.72 45.09 3fd7 s GLY 102 CO 0.19 0.39 2.14 1.44 0.00 0.00 0.00 173.10 177.26