#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j n LEU 2 N 0.00 0.01 -3.69 0.00 -0.00 -1.26 -5.01 117.00 107.06 1d8j n LEU 2 Ca 0.00 -1.83 -0.42 0.00 -0.00 0.00 0.00 56.01 53.76 1d8j n LEU 2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1d8j n LEU 2 CO 0.00 0.93 2.71 -1.54 -0.00 0.00 0.00 177.39 179.50 1d8j n SER 3 N 0.21 4.20 -4.81 1.45 3.41 -1.26 -4.84 113.62 111.98 1d8j n SER 3 Ca -0.09 -2.81 -0.24 0.00 -0.26 0.00 0.00 58.87 55.47 1d8j n SER 3 Cb 0.87 -1.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 1d8j n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1d8j s GLY 4 N 3.22 2.32 -1.24 5.00 0.00 -1.26 -5.03 107.32 110.34 1d8j s GLY 4 Ca 0.49 -1.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 1d8j s GLY 4 CO -0.08 -1.87 1.88 -1.26 0.00 0.00 0.00 173.10 171.77 1d8j n SER 5 N -1.44 4.02 -3.19 1.64 2.88 -1.26 -4.23 113.62 112.04 1d8j n SER 5 Ca -0.01 -2.82 -0.07 0.00 -1.33 0.00 0.00 58.87 54.65 1d8j n SER 5 Cb 0.64 -1.68 0.01 0.00 -0.75 0.00 0.00 64.21 62.43 1d8j n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1d8j n SER 6 N 9.91 -7.21 -2.61 -3.46 7.64 -1.26 -4.83 113.62 111.80 1d8j n SER 6 Ca 0.48 -0.31 -0.07 0.00 1.01 0.00 0.00 58.87 59.98 1d8j n SER 6 Cb 0.45 -4.87 0.06 0.00 -1.01 0.00 0.00 64.21 58.83 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 7 N -1.66 -1.86 1.50 0.23 0.00 -1.26 -3.67 105.19 98.48 1d8j n GLY 7 Ca -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1d8j n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1d8j n TYR 8 N -2.75 -3.54 0.00 1.61 9.36 -1.26 -4.40 117.16 116.17 1d8j n TYR 8 Ca 0.04 2.01 0.00 0.00 3.32 0.00 0.00 57.90 63.27 1d8j n TYR 8 Cb 0.14 -3.16 0.00 0.00 -0.63 0.00 0.00 39.34 35.69 1d8j n TYR 8 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1d8j n LYS 9 N 0.88 0.00 -0.15 2.98 5.02 -1.26 -3.65 118.16 121.99 1d8j n LYS 9 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1d8j n LYS 9 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1d8j h PHE 10 N 0.00 0.58 -0.24 2.13 0.04 -1.80 0.56 116.94 118.21 1d8j h PHE 10 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1d8j h PHE 10 Cb 0.00 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1d8j h PHE 10 CO 0.00 0.38 0.15 0.78 -0.60 0.00 0.00 178.31 179.02 1d8j h GLY 11 N 0.61 0.35 0.95 -1.45 0.00 -1.63 0.98 103.07 102.88 1d8j h GLY 11 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1d8j h GLY 11 CO -0.03 0.13 0.18 -2.08 0.00 0.00 0.00 176.54 174.74 1d8j h VAL 12 N 0.32 1.15 -0.50 4.60 2.07 -1.78 0.10 116.25 122.21 1d8j h VAL 12 Ca 0.09 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1d8j h VAL 12 Cb -0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1d8j h VAL 12 CO -0.02 0.16 0.29 0.25 0.02 0.00 0.00 177.57 178.27 1d8j h LEU 13 N 0.45 0.61 -0.72 2.57 5.85 -0.65 -0.19 115.31 123.23 1d8j h LEU 13 Ca 0.13 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1d8j h LEU 13 Cb 0.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1d8j h LEU 13 CO -0.02 0.51 0.31 0.00 -0.34 0.00 0.00 178.44 178.90 1d8j h ALA 14 N 1.13 0.94 -0.14 1.25 0.00 -0.56 0.05 119.26 121.92 1d8j h ALA 14 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d8j h ALA 14 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1d8j h ALA 14 CO -0.03 0.54 0.08 0.87 0.00 0.00 0.00 179.25 180.70 1d8j h LYS 15 N 1.03 0.20 0.11 0.00 1.79 -0.57 -0.04 116.57 119.09 1d8j h LYS 15 Ca 0.24 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1d8j h LYS 15 Cb 0.18 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1d8j h LYS 15 CO -0.02 0.23 -0.12 0.82 -1.08 0.00 0.00 179.45 179.27 1d8j h ILE 16 N 0.13 0.72 -0.15 1.86 2.04 -0.75 0.83 117.51 122.18 1d8j h ILE 16 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1d8j h ILE 16 Cb 0.09 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1d8j h ILE 16 CO -0.01 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.63 1d8j h VAL 17 N -0.27 0.72 -0.68 1.67 2.07 -0.87 -0.09 116.25 118.80 1d8j h VAL 17 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1d8j h VAL 17 Cb 0.26 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1d8j h VAL 17 CO -0.04 0.00 0.45 -1.13 0.02 0.00 0.00 177.57 176.86 1d8j h ASN 18 N -0.09 0.77 0.87 0.57 -0.73 -0.77 -0.28 115.58 115.91 1d8j h ASN 18 Ca 0.09 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 1d8j h ASN 18 Cb 0.22 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 38.63 1d8j h ASN 18 CO -0.20 0.55 -0.42 0.22 -0.37 0.00 0.00 177.43 177.21 1d8j h TYR 19 N 0.91 -1.08 -0.46 0.67 3.20 -0.37 -2.22 116.97 117.62 1d8j h TYR 19 Ca 0.26 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1d8j h TYR 19 Cb -0.08 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1d8j h TYR 19 CO -0.03 -0.67 0.31 1.98 -1.64 0.00 0.00 178.16 178.11 1d8j h MET 20 N -1.29 0.42 -0.33 1.82 4.05 -0.96 0.33 114.93 118.98 1d8j h MET 20 Ca -0.12 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1d8j h MET 20 Cb 0.90 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1d8j h MET 20 CO 0.20 0.28 0.20 -0.22 0.23 0.00 0.00 176.91 177.60 1d8j h LYS 21 N 0.43 0.44 -0.17 0.39 3.64 -0.93 0.39 116.57 120.76 1d8j h LYS 21 Ca 0.19 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 1d8j h LYS 21 Cb 0.23 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1d8j h LYS 21 CO -0.05 0.32 -0.74 1.15 -2.27 0.00 0.00 179.45 177.86 1d8j h THR 22 N 0.43 1.28 -0.27 1.00 2.02 -0.53 -0.89 112.91 115.95 1d8j h THR 22 Ca 0.12 -1.94 -0.05 0.00 0.77 0.00 0.00 66.41 65.31 1d8j h THR 22 Cb -0.01 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1d8j h THR 22 CO -0.02 0.61 -0.07 -0.09 0.37 0.00 0.00 175.52 176.32 1d8j h ARG 23 N 0.53 0.43 -0.00 6.66 9.65 -0.23 0.28 114.38 131.70 1d8j h ARG 23 Ca -0.05 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1d8j h ARG 23 Cb 1.37 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1d8j h ARG 23 CO 0.15 0.51 -0.02 1.25 2.80 0.00 0.00 179.97 184.67 1d8j h HIS 24 N 0.41 0.03 -0.93 2.20 2.76 -0.17 -3.12 115.15 116.33 1d8j h HIS 24 Ca 0.08 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.38 1d8j h HIS 24 Cb 0.38 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1d8j h HIS 24 CO 0.01 0.65 0.59 1.96 -1.30 0.00 0.00 177.93 179.84 1d8j h GLN 25 N -0.61 0.76 -0.83 5.26 7.50 -0.75 -1.72 115.11 124.73 1d8j h GLN 25 Ca -0.00 -0.05 0.11 0.00 0.50 0.00 0.00 58.65 59.22 1d8j h GLN 25 Cb 0.65 -0.17 -0.08 0.00 0.05 0.00 0.00 27.48 27.93 1d8j h GLN 25 CO 0.00 0.51 0.45 -0.09 -1.50 0.00 0.00 178.83 178.20 1d8j h ARG 26 N 0.79 0.70 0.00 1.46 2.43 -0.44 -3.46 114.38 115.86 1d8j h ARG 26 Ca 0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1d8j h ARG 26 Cb 0.66 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1d8j h ARG 26 CO -0.23 0.47 0.00 0.41 -1.51 0.00 0.00 179.97 179.10 1d8j n GLY 27 N -1.32 1.10 2.34 2.80 0.00 -0.65 -5.03 105.19 104.44 1d8j n GLY 27 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1d8j n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d8j n ASP 28 N 0.00 8.13 0.00 1.61 9.92 -1.18 -4.61 116.55 130.43 1d8j n ASP 28 Ca 0.00 -2.53 0.05 0.00 -0.53 0.00 0.00 54.79 51.78 1d8j n ASP 28 Cb 0.00 -1.49 0.22 0.00 -0.64 0.00 0.00 41.12 39.21 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1d8j n THR 29 N 3.63 1.22 -1.47 -3.53 -2.24 -1.26 -4.39 114.28 106.23 1d8j n THR 29 Ca 0.73 0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 62.45 1d8j n THR 29 Cb 0.24 -1.14 0.08 0.00 -2.10 0.00 0.00 70.33 67.41 1d8j n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d8j n HIS 30 N -1.45 1.07 -1.25 4.78 1.44 -1.26 -4.72 115.22 113.83 1d8j n HIS 30 Ca 0.03 0.41 -0.34 0.00 -2.01 0.00 0.00 57.72 55.81 1d8j n HIS 30 Cb 0.11 -2.14 0.11 0.00 0.12 0.00 0.00 29.99 28.19 1d8j n HIS 30 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1d8j s PRO 31 N -3.32 1.87 0.02 -1.40 0.02 -1.26 -4.85 135.00 126.07 1d8j s PRO 31 Ca 0.76 1.71 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1d8j s PRO 31 Cb -0.36 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 1d8j s PRO 31 CO 0.47 -2.03 -0.07 -0.51 -0.33 0.00 0.00 177.00 174.53 1d8j s LEU 32 N -5.50 2.11 1.06 -5.54 1.43 -0.21 -4.90 118.68 107.13 1d8j s LEU 32 Ca 0.73 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 1d8j s LEU 32 Cb -0.28 -0.28 0.22 0.00 0.03 0.00 0.00 46.19 45.88 1d8j s LEU 32 CO 0.49 -0.03 1.16 0.42 0.23 0.00 0.00 176.35 178.62 1d8j s THR 33 N -0.64 1.83 0.07 5.49 -4.23 -1.26 -0.63 115.64 116.27 1d8j s THR 33 Ca -0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 1d8j s THR 33 Cb -0.05 -2.67 -0.17 0.00 1.34 0.00 0.00 72.50 70.94 1d8j s THR 33 CO 0.00 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 175.97 1d8j h LEU 34 N -2.05 -0.45 -0.40 4.79 7.12 -1.95 -1.86 115.31 120.51 1d8j h LEU 34 Ca -0.47 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.60 1d8j h LEU 34 Cb 1.29 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 41.48 1d8j h LEU 34 CO 0.44 -0.30 0.06 -0.78 -0.13 0.00 0.00 178.44 177.72 1d8j h ASP 35 N -0.56 -0.04 -0.72 1.25 3.58 -1.99 -0.65 116.42 117.29 1d8j h ASP 35 Ca -0.05 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.57 1d8j h ASP 35 Cb 0.42 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1d8j h ASP 35 CO 0.09 0.01 0.35 -0.33 -2.88 0.00 0.00 179.24 176.48 1d8j h GLU 36 N 0.18 0.57 -0.21 0.28 5.08 -1.90 -0.71 114.58 117.87 1d8j h GLU 36 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1d8j h GLU 36 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1d8j h GLU 36 CO -0.28 0.38 0.08 0.82 -1.00 0.00 0.00 179.01 179.01 1d8j h ILE 37 N 0.59 1.18 -0.24 3.13 2.04 -0.41 -2.89 117.51 120.90 1d8j h ILE 37 Ca 0.36 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1d8j h ILE 37 Cb 0.40 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1d8j h ILE 37 CO -0.28 0.17 0.03 -0.07 0.00 0.00 0.00 178.15 178.00 1d8j h LEU 38 N 0.18 -0.02 -0.02 1.44 3.38 -0.41 -2.17 115.31 117.69 1d8j h LEU 38 Ca 0.07 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1d8j h LEU 38 Cb 0.20 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1d8j h LEU 38 CO -0.00 0.02 -0.40 -0.78 0.09 0.00 0.00 178.44 177.37 1d8j h ASP 39 N 0.12 -1.22 -0.76 -0.43 3.58 -1.08 0.12 116.42 116.75 1d8j h ASP 39 Ca 0.11 0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.74 1d8j h ASP 39 Cb 0.12 0.48 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1d8j h ASP 39 CO -0.16 -0.44 0.50 -0.33 -2.88 0.00 0.00 179.24 175.93 1d8j h GLU 40 N -0.55 0.91 -0.15 0.28 5.08 -1.40 -0.24 114.58 118.51 1d8j h GLU 40 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1d8j h GLU 40 Cb 0.63 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1d8j h GLU 40 CO -0.32 0.60 0.00 0.25 -1.00 0.00 0.00 179.01 178.54 1d8j n THR 41 N -4.45 0.20 0.00 1.13 -2.24 -0.73 -4.90 114.28 103.30 1d8j n THR 41 Ca 0.09 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1d8j n THR 41 Cb 0.11 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1d8j n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1d8j n GLN 42 N 0.03 0.00 -0.41 -0.78 0.00 0.26 -4.83 117.38 111.65 1d8j n GLN 42 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 1d8j n GLN 42 Cb 0.23 -2.84 0.00 0.00 0.00 0.00 0.00 30.24 27.62 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1d8j n HIS 43 N -1.97 0.00 -0.04 3.69 -0.00 -0.34 -4.21 115.22 112.35 1d8j n HIS 43 Ca 0.00 -0.86 -0.14 0.00 -0.00 0.00 0.00 57.72 56.71 1d8j n HIS 43 Cb 0.00 -0.46 -0.08 0.00 -0.00 0.00 0.00 29.99 29.45 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1d8j h LEU 44 N 2.93 0.44 -4.39 2.41 6.46 -1.87 -3.15 115.31 118.14 1d8j h LEU 44 Ca 0.00 -0.57 -0.38 0.00 -0.12 0.00 0.00 57.88 56.81 1d8j h LEU 44 Cb 0.90 -0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 40.61 1d8j h LEU 44 CO 0.00 0.94 0.49 -0.67 -0.62 0.00 0.00 178.44 178.58 1d8j n ASP 45 N -4.44 6.20 -4.87 1.25 2.03 -1.26 -4.92 116.55 110.54 1d8j n ASP 45 Ca -0.07 -2.77 -0.33 0.00 0.52 0.00 0.00 54.79 52.14 1d8j n ASP 45 Cb 0.46 -1.37 -0.05 0.00 -0.72 0.00 0.00 41.12 39.44 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1d8j s ILE 46 N -0.10 4.92 0.32 5.18 2.07 -1.19 -5.04 121.20 127.37 1d8j s ILE 46 Ca 0.64 0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 60.13 1d8j s ILE 46 Cb 0.32 -3.64 -0.12 0.00 0.13 0.00 0.00 42.46 39.15 1d8j s ILE 46 CO -0.09 0.00 1.53 0.61 -1.91 0.00 0.00 174.94 175.09 1d8j n GLY 47 N 0.08 1.22 0.37 1.50 0.00 -1.26 -4.79 105.19 102.31 1d8j n GLY 47 Ca -0.01 0.40 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1d8j n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d8j h LEU 48 N 3.96 0.54 -0.20 0.99 5.85 -1.98 -0.25 115.31 124.22 1d8j h LEU 48 Ca -0.48 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1d8j h LEU 48 Cb 1.24 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1d8j h LEU 48 CO 0.73 0.29 0.05 0.11 -0.34 0.00 0.00 178.44 179.28 1d8j h LYS 49 N 0.58 0.13 -0.28 1.25 1.57 -1.99 0.81 116.57 118.64 1d8j h LYS 49 Ca 0.39 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1d8j h LYS 49 Cb 0.70 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1d8j h LYS 49 CO -0.15 0.09 -0.13 1.96 -0.57 0.00 0.00 179.45 180.64 1d8j h GLN 50 N 0.14 0.58 -0.37 3.15 4.20 -1.62 -2.02 115.11 119.16 1d8j h GLN 50 Ca 0.09 -0.25 0.07 0.00 0.06 0.00 0.00 58.65 58.62 1d8j h GLN 50 Cb 0.07 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1d8j h GLN 50 CO -0.10 0.82 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.56 1d8j h LYS 51 N 0.32 0.00 0.16 1.46 3.64 -0.80 0.11 116.57 121.46 1d8j h LYS 51 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1d8j h LYS 51 Cb 0.65 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1d8j h LYS 51 CO 0.04 0.00 -0.12 0.37 -2.27 0.00 0.00 179.45 177.47 1d8j h GLN 52 N 0.00 -0.27 -0.31 1.90 -0.00 -0.78 -0.77 115.11 114.88 1d8j h GLN 52 Ca 0.18 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.91 1d8j h GLN 52 Cb 0.27 0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.76 1d8j h GLN 52 CO -0.38 -0.18 -0.08 2.35 0.00 0.00 0.00 178.83 180.53 1d8j h TRP 53 N -0.28 -0.17 -0.72 3.99 7.01 -0.80 -0.17 115.95 124.80 1d8j h TRP 53 Ca -0.01 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.07 1d8j h TRP 53 Cb 0.25 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.38 1d8j h TRP 53 CO -0.10 -0.14 0.43 -0.07 -2.79 0.00 0.00 178.44 175.77 1d8j h LEU 54 N -0.00 0.67 0.20 0.65 3.38 -0.57 -0.14 115.31 119.49 1d8j h LEU 54 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1d8j h LEU 54 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1d8j h LEU 54 CO -0.32 0.44 -0.10 -0.03 0.09 0.00 0.00 178.44 178.52 1d8j h MET 55 N 0.80 -0.26 -1.29 1.13 4.05 -0.06 0.18 114.93 119.48 1d8j h MET 55 Ca 0.31 0.02 -0.57 0.00 -0.28 0.00 0.00 59.70 59.18 1d8j h MET 55 Cb 0.14 0.06 -0.42 0.00 -0.80 0.00 0.00 31.60 30.58 1d8j h MET 55 CO -0.16 0.07 -0.76 -2.37 0.23 0.00 0.00 176.91 173.91 1d8j n THR 56 N -5.06 2.39 0.09 -0.77 5.66 -0.18 -4.61 114.28 111.81 1d8j n THR 56 Ca -0.09 -4.70 0.00 0.00 -3.05 0.00 0.00 64.05 56.21 1d8j n THR 56 Cb 0.24 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1d8j n GLU 57 N -0.54 0.00 0.05 1.09 4.07 -0.48 -4.93 120.64 119.90 1d8j n GLU 57 Ca 0.40 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.46 1d8j n GLU 57 Cb 0.75 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.11 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d8j h ALA 58 N 0.00 -0.23 -0.03 4.31 0.00 -1.15 -3.33 119.26 118.83 1d8j h ALA 58 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1d8j h ALA 58 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1d8j h ALA 58 CO 0.00 -0.21 0.02 1.28 0.00 0.00 0.00 179.25 180.34 1d8j n LEU 59 N -4.88 2.67 0.00 0.00 4.77 0.05 -2.24 117.00 117.37 1d8j n LEU 59 Ca -0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1d8j n LEU 59 Cb 0.09 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1d8j n LEU 59 CO 0.07 0.46 -0.28 1.33 -1.33 0.00 0.00 177.39 177.64 1d8j n VAL 60 N 0.35 0.00 -0.51 4.08 0.24 -1.25 -4.75 118.33 116.49 1d8j n VAL 60 Ca 0.02 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1d8j n VAL 60 Cb 0.48 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1d8j n VAL 60 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1d8j n ASN 61 N -1.04 0.82 -4.70 -1.34 0.23 -1.14 -4.94 115.26 103.14 1d8j n ASN 61 Ca 0.00 -1.33 -0.42 0.00 -0.53 0.00 0.00 54.58 52.30 1d8j n ASN 61 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1d8j s ASN 62 N -0.33 6.85 0.52 0.53 3.84 -0.95 -4.90 114.94 120.50 1d8j s ASN 62 Ca 0.00 2.21 0.20 0.00 0.21 0.00 0.00 52.86 55.47 1d8j s ASN 62 Cb 0.00 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.45 1d8j s ASN 62 CO 0.00 -0.68 2.09 1.55 -2.79 0.00 0.00 177.10 177.27 1d8j h PRO 63 N 7.34 0.00 -0.73 0.43 0.13 -1.97 -1.36 132.00 135.84 1d8j h PRO 63 Ca -0.40 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1d8j h PRO 63 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1d8j h PRO 63 CO 0.88 0.00 0.05 1.63 -0.23 0.00 0.00 178.00 180.33 1d8j n LYS 64 N -4.47 3.59 -3.88 0.86 5.02 -1.26 -4.70 118.16 113.32 1d8j n LYS 64 Ca 0.02 -2.25 -0.10 0.00 -2.02 0.00 0.00 58.31 53.97 1d8j n LYS 64 Cb 0.30 -2.03 -0.08 0.00 -0.02 0.00 0.00 35.03 33.20 1d8j n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1d8j s ILE 65 N -2.28 0.13 -0.05 -0.18 1.10 -0.51 -1.33 121.20 118.08 1d8j s ILE 65 Ca 0.39 -1.06 -0.21 0.00 -0.51 0.00 0.00 60.65 59.26 1d8j s ILE 65 Cb 0.30 -1.05 0.04 0.00 0.15 0.00 0.00 42.46 41.90 1d8j s ILE 65 CO 0.11 -0.58 0.48 -1.83 -2.11 0.00 0.00 174.94 171.00 1d8j s GLU 66 N -3.00 0.81 -0.13 3.50 -1.05 0.19 -4.64 118.70 114.39 1d8j s GLU 66 Ca -0.02 0.10 -0.16 0.00 -0.15 0.00 0.00 54.97 54.74 1d8j s GLU 66 Cb 0.01 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1d8j s GLU 66 CO -0.06 -0.23 0.38 0.08 0.95 0.00 0.00 175.26 176.38 1d8j s VAL 67 N -1.08 5.24 0.00 1.83 1.01 -1.26 -0.82 120.40 125.32 1d8j s VAL 67 Ca -0.11 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1d8j s VAL 67 Cb -0.03 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1d8j s VAL 67 CO 0.06 0.38 0.00 -0.38 0.00 0.00 0.00 175.10 175.16 1d8j n ILE 68 N 3.49 0.00 -1.23 2.22 5.41 -1.09 -4.87 119.36 123.29 1d8j n ILE 68 Ca -0.10 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.44 1d8j n ILE 68 Cb 0.52 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.33 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1d8j n ASP 69 N 0.00 6.12 0.00 4.38 2.03 -1.26 -4.67 116.55 123.15 1d8j n ASP 69 Ca 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1d8j n ASP 69 Cb 0.00 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 1d8j n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d8j n GLY 70 N 2.09 1.45 3.73 0.27 0.00 -1.26 -4.94 105.19 106.53 1d8j n GLY 70 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1d8j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8j s LYS 71 N 0.00 -0.67 -0.16 1.61 1.02 -1.26 -5.00 119.74 115.28 1d8j s LYS 71 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 1d8j s LYS 71 Cb 0.00 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1d8j s LYS 71 CO 0.00 -3.31 -0.11 0.71 -0.92 0.00 0.00 175.35 171.72 1d8j s TYR 72 N -3.40 2.85 -0.05 3.18 2.02 0.20 -2.66 117.35 119.48 1d8j s TYR 72 Ca 0.73 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1d8j s TYR 72 Cb -0.06 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1d8j s TYR 72 CO 0.55 -0.36 -0.18 0.00 -1.57 0.00 0.00 175.55 173.99 1d8j s ALA 73 N 0.74 2.48 0.05 3.71 0.00 -0.00 -1.04 121.76 127.70 1d8j s ALA 73 Ca -0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 1d8j s ALA 73 Cb -0.15 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 1d8j s ALA 73 CO 0.01 0.51 1.39 0.12 0.00 0.00 0.00 175.76 177.80 1d8j s PHE 74 N -0.57 3.02 -0.19 0.00 2.19 -1.26 -0.64 117.98 120.53 1d8j s PHE 74 Ca 0.08 0.88 -0.29 0.00 0.33 0.00 0.00 56.93 57.93 1d8j s PHE 74 Cb -0.11 -3.67 -0.00 0.00 -1.31 0.00 0.00 43.02 37.93 1d8j s PHE 74 CO 0.01 -2.41 1.13 0.21 1.83 0.00 0.00 175.22 175.99 1d8j s LYS 75 N 1.83 4.26 0.33 10.12 2.20 -0.44 -4.86 119.74 133.18 1d8j s LYS 75 Ca 0.64 1.49 -0.06 0.00 -0.36 0.00 0.00 55.97 57.68 1d8j s LYS 75 Cb -0.34 -3.68 0.08 0.00 -1.51 0.00 0.00 37.83 32.39 1d8j s LYS 75 CO 0.28 -0.64 0.26 -0.35 -0.36 0.00 0.00 175.35 174.55 1d8j n PRO 76 N 6.31 -1.90 -0.00 4.03 -0.04 -1.26 -4.68 135.00 137.47 1d8j n PRO 76 Ca 0.12 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.06 1d8j n PRO 76 Cb 0.46 -0.44 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 1d8j n PRO 76 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1d8j h LYS 77 N 0.00 -0.32 0.00 0.54 1.79 -1.95 -3.45 116.57 113.19 1d8j h LYS 77 Ca -0.10 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1d8j h LYS 77 Cb 0.32 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1d8j h LYS 77 CO 0.07 -0.21 0.00 2.48 -1.08 0.00 0.00 179.45 180.71 1d8j n TYR 78 N -5.38 -1.98 -3.05 -1.35 4.11 -1.26 -5.14 117.16 103.12 1d8j n TYR 78 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.60 1d8j n TYR 78 Cb 0.30 0.40 -0.02 0.00 -0.00 0.00 0.00 39.34 40.02 1d8j n TYR 78 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1d8j s ASN 79 N -1.93 6.35 0.21 9.48 2.47 -1.26 -5.00 114.94 125.26 1d8j s ASN 79 Ca 0.00 0.77 -0.10 0.00 0.42 0.00 0.00 52.86 53.95 1d8j s ASN 79 Cb 0.00 -2.17 0.26 0.00 -1.45 0.00 0.00 41.25 37.89 1d8j s ASN 79 CO 0.00 -0.38 1.75 0.58 -3.72 0.00 0.00 177.10 175.33 1d8j h VAL 80 N 0.77 0.79 -0.02 -5.21 2.07 -2.00 -3.43 116.25 109.23 1d8j h VAL 80 Ca -0.48 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1d8j h VAL 80 Cb 1.20 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1d8j h VAL 80 CO 0.63 0.08 0.00 0.54 0.02 0.00 0.00 177.57 178.84