#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opo s ALA 3 N 0.00 2.98 0.45 0.00 0.00 -1.26 -5.10 121.76 118.83 2opo s ALA 3 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 2opo s ALA 3 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 2opo s ALA 3 CO 0.00 -0.20 1.02 -2.00 0.00 0.00 0.00 175.76 174.58 2opo s GLU 4 N 1.09 3.99 0.50 0.00 2.12 -1.26 -5.03 118.70 120.12 2opo s GLU 4 Ca 0.02 1.34 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 2opo s GLU 4 Cb -0.14 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 2opo s GLU 4 CO 0.01 -0.27 1.21 -0.51 -0.54 0.00 0.00 175.26 175.17 2opo s ASP 5 N -1.92 5.79 0.31 -1.70 1.01 -1.26 -5.05 116.67 113.85 2opo s ASP 5 Ca 0.64 2.41 -0.01 0.00 0.71 0.00 0.00 52.55 56.29 2opo s ASP 5 Cb -0.16 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 2opo s ASP 5 CO 0.20 -1.19 0.53 0.42 0.21 0.00 0.00 175.17 175.35 2opo s THR 6 N -1.52 5.10 0.39 -1.27 -4.23 -1.26 -4.99 115.64 107.86 2opo s THR 6 Ca 0.68 -0.31 0.11 0.00 -1.18 0.00 0.00 61.69 61.00 2opo s THR 6 Cb -0.31 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.05 2opo s THR 6 CO 0.37 -0.45 1.92 -0.65 -0.54 0.00 0.00 174.62 175.27 2opo h PRO 7 N 1.16 0.56 -0.78 3.99 0.11 -2.00 -1.48 132.00 133.56 2opo h PRO 7 Ca -0.49 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.60 2opo h PRO 7 Cb 1.21 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2opo h PRO 7 CO 0.63 0.37 0.52 0.37 -0.21 0.00 0.00 178.00 179.68 2opo h GLN 8 N 0.58 1.02 -0.46 1.05 5.75 -1.99 0.65 115.11 121.71 2opo h GLN 8 Ca 0.37 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.85 2opo h GLN 8 Cb 0.64 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 2opo h GLN 8 CO -0.14 0.68 0.21 -0.44 -2.65 0.00 0.00 178.83 176.49 2opo h ASP 9 N 1.05 0.29 -0.05 -0.69 3.32 -1.67 -0.55 116.42 118.12 2opo h ASP 9 Ca 0.29 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2opo h ASP 9 Cb -0.12 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2opo h ASP 9 CO -0.06 0.21 0.02 0.40 -1.72 0.00 0.00 179.24 178.08 2opo h ILE 10 N 0.43 1.13 -0.51 0.35 1.08 -1.02 -0.88 117.51 118.09 2opo h ILE 10 Ca 0.21 -0.40 0.06 0.00 -0.39 0.00 0.00 64.86 64.34 2opo h ILE 10 Cb 0.14 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 2opo h ILE 10 CO -0.16 0.11 0.20 0.00 -0.69 0.00 0.00 178.15 177.61 2opo h ALA 11 N 0.87 0.63 -0.45 1.87 0.00 -0.60 0.07 119.26 121.65 2opo h ALA 11 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2opo h ALA 11 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2opo h ALA 11 CO -0.00 -0.18 0.29 -0.44 0.00 0.00 0.00 179.25 178.92 2opo h ASP 12 N 0.40 0.53 -0.34 0.00 5.19 -0.96 -0.91 116.42 120.33 2opo h ASP 12 Ca 0.24 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 2opo h ASP 12 Cb 0.23 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2opo h ASP 12 CO -0.22 0.40 0.10 0.03 -3.12 0.00 0.00 179.24 176.43 2opo h ARG 13 N 0.61 0.52 -0.95 3.56 3.08 -0.76 -2.13 114.38 118.31 2opo h ARG 13 Ca 0.16 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.15 2opo h ARG 13 Cb -0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 2opo h ARG 13 CO -0.03 0.56 0.61 0.93 -1.07 0.00 0.00 179.97 180.97 2opo h GLU 14 N 0.39 1.12 -0.45 0.04 5.08 -0.85 0.31 114.58 120.23 2opo h GLU 14 Ca 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2opo h GLU 14 Cb 0.26 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2opo h GLU 14 CO -0.00 0.74 0.20 -0.09 -1.00 0.00 0.00 179.01 178.86 2opo h ARG 15 N 1.16 0.65 -0.22 2.33 2.43 -0.94 -1.43 114.38 118.37 2opo h ARG 15 Ca 0.39 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 2opo h ARG 15 Cb 0.07 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2opo h ARG 15 CO -0.14 0.57 -0.35 0.82 -1.51 0.00 0.00 179.97 179.36 2opo h ILE 16 N 0.58 1.32 -0.41 1.20 2.04 -1.17 -2.20 117.51 118.88 2opo h ILE 16 Ca 0.15 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.46 2opo h ILE 16 Cb 0.15 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2opo h ILE 16 CO -0.02 0.49 0.25 0.15 0.00 0.00 0.00 178.15 179.02 2opo h PHE 17 N 0.31 0.47 -0.05 1.37 3.04 -0.85 -0.76 116.94 120.46 2opo h PHE 17 Ca 0.02 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2opo h PHE 17 Cb 0.94 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2opo h PHE 17 CO 0.09 0.28 -0.30 0.87 -2.02 0.00 0.00 178.31 177.23 2opo h LYS 18 N 0.50 0.09 -0.24 1.11 1.57 -1.23 0.56 116.57 118.93 2opo h LYS 18 Ca 0.16 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2opo h LYS 18 Cb -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2opo h LYS 18 CO -0.06 0.39 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.88 2opo h ARG 19 N 0.08 0.59 -0.32 3.15 2.43 -0.80 -3.11 114.38 116.40 2opo h ARG 19 Ca 0.01 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 2opo h ARG 19 Cb 0.57 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2opo h ARG 19 CO 0.04 0.90 -0.20 0.74 -1.51 0.00 0.00 179.97 179.94 2opo h PHE 20 N 0.30 0.66 -0.86 2.20 -1.00 -0.72 -3.36 116.94 114.16 2opo h PHE 20 Ca 0.04 -0.13 -0.72 0.00 2.81 0.00 0.00 57.97 59.96 2opo h PHE 20 Cb 0.79 -0.17 -0.10 0.00 3.61 0.00 0.00 35.95 40.09 2opo h PHE 20 CO 0.08 0.76 2.40 -3.47 -1.61 0.00 0.00 178.31 176.46 2opo n ASP 21 N -4.14 4.61 0.25 2.17 2.03 0.15 -4.76 116.55 116.86 2opo n ASP 21 Ca 0.00 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.48 2opo n ASP 21 Cb 0.39 -1.61 0.63 0.00 -0.72 0.00 0.00 41.12 39.81 2opo n ASP 21 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2opo h THR 22 N 4.30 0.55 0.00 5.18 1.35 -1.74 -1.64 112.91 120.91 2opo h THR 22 Ca 0.46 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2opo h THR 22 Cb 0.71 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2opo h THR 22 CO 1.64 0.16 -0.79 -0.46 -0.25 0.00 0.00 175.52 175.82 2opo n ASN 23 N -3.52 0.65 -0.55 5.36 6.94 -1.26 -5.00 115.26 117.88 2opo n ASN 23 Ca -0.01 -0.37 -0.06 0.00 -0.02 0.00 0.00 54.58 54.12 2opo n ASN 23 Cb 0.31 0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 38.31 2opo n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2opo n GLY 24 N 1.45 0.54 0.50 4.83 0.00 -0.62 -4.93 105.19 106.96 2opo n GLY 24 Ca 0.04 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.46 2opo n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 25 N 0.97 1.55 0.00 1.61 5.68 -1.26 -4.92 116.55 120.18 2opo n ASP 25 Ca -0.06 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2opo n ASP 25 Cb 0.35 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2opo n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2opo n GLY 26 N 1.16 0.74 3.02 6.12 0.00 -1.26 -5.03 105.19 109.93 2opo n GLY 26 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2opo n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opo s LYS 27 N -0.45 0.41 -0.25 1.61 -2.85 -1.26 -5.13 119.74 111.82 2opo s LYS 27 Ca 0.00 -0.73 -0.08 0.00 -1.00 0.00 0.00 55.97 54.17 2opo s LYS 27 Cb 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 2opo s LYS 27 CO 0.00 -0.03 0.08 0.42 0.10 0.00 0.00 175.35 175.92 2opo s ILE 28 N -1.74 4.41 0.65 3.79 1.01 -1.26 -4.82 121.20 123.25 2opo s ILE 28 Ca -0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2opo s ILE 28 Cb -0.08 -3.06 0.05 0.00 0.01 0.00 0.00 42.46 39.38 2opo s ILE 28 CO -0.02 0.34 0.95 -0.94 0.00 0.00 0.00 174.94 175.28 2opo s SER 29 N 1.52 5.04 0.31 3.58 1.04 -1.26 -4.88 113.70 119.04 2opo s SER 29 Ca 0.06 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2opo s SER 29 Cb -0.15 -1.17 0.51 0.00 0.10 0.00 0.00 66.02 65.31 2opo s SER 29 CO 0.04 -1.42 1.86 0.77 0.98 0.00 0.00 173.24 175.47 2opo h SER 30 N -0.40 0.65 -0.61 7.02 4.64 -1.99 0.60 113.55 123.46 2opo h SER 30 Ca -0.44 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 60.69 2opo h SER 30 Cb 1.30 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2opo h SER 30 CO 0.59 0.65 0.05 -1.28 -0.87 0.00 0.00 176.83 175.98 2opo h SER 31 N 0.68 1.01 -0.75 4.97 0.87 -1.99 -0.47 113.55 117.87 2opo h SER 31 Ca 0.15 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2opo h SER 31 Cb 0.27 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2opo h SER 31 CO -0.00 1.04 0.22 -0.33 -0.53 0.00 0.00 176.83 177.23 2opo h GLU 32 N 0.94 1.16 -0.21 2.24 5.08 -1.71 -0.37 114.58 121.72 2opo h GLU 32 Ca 0.18 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2opo h GLU 32 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2opo h GLU 32 CO 0.02 0.99 -0.05 1.25 -1.00 0.00 0.00 179.01 180.23 2opo h LEU 33 N 1.11 0.40 -0.78 1.33 5.85 -0.43 -1.01 115.31 121.78 2opo h LEU 33 Ca 0.24 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2opo h LEU 33 Cb 0.32 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2opo h LEU 33 CO -0.01 0.67 0.46 1.23 -0.34 0.00 0.00 178.44 180.45 2opo h GLY 34 N 0.12 1.15 1.03 3.75 0.00 -0.99 -1.00 103.07 107.12 2opo h GLY 34 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2opo h GLY 34 CO 0.02 0.47 0.27 -0.55 0.00 0.00 0.00 176.54 176.76 2opo h ASP 35 N 1.07 0.99 -0.06 0.19 3.32 -0.81 -0.80 116.42 120.32 2opo h ASP 35 Ca 0.28 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2opo h ASP 35 Cb -0.02 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2opo h ASP 35 CO -0.05 0.90 0.04 0.00 -1.72 0.00 0.00 179.24 178.40 2opo h ALA 36 N 1.13 0.08 0.00 3.45 0.00 -0.65 -2.94 119.26 120.33 2opo h ALA 36 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2opo h ALA 36 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2opo h ALA 36 CO -0.02 -0.41 -0.12 -0.07 0.00 0.00 0.00 179.25 178.64 2opo h LEU 37 N 0.05 -0.35 -2.03 0.00 3.38 -1.02 -2.91 115.31 112.44 2opo h LEU 37 Ca 0.02 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2opo h LEU 37 Cb 0.03 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2opo h LEU 37 CO -0.00 -0.17 0.39 0.11 0.09 0.00 0.00 178.44 178.86 2opo h LYS 38 N -0.21 0.00 -0.02 1.13 1.57 -0.99 -2.31 116.57 115.75 2opo h LYS 38 Ca 0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2opo h LYS 38 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2opo h LYS 38 CO -0.12 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.57 2opo h THR 39 N 0.00 0.57 0.00 -0.16 1.35 -1.35 -0.99 112.91 112.34 2opo h THR 39 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.05 2opo h THR 39 Cb 0.97 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2opo h THR 39 CO -0.00 0.00 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.18 2opo h LEU 40 N 0.00 0.00 -2.30 3.87 3.38 -1.60 -0.40 115.31 118.26 2opo h LEU 40 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2opo h LEU 40 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2opo h LEU 40 CO -0.00 0.01 0.04 1.23 0.09 0.00 0.00 178.44 179.82 2opo h GLY 41 N 0.17 0.00 -2.27 0.83 0.00 -1.38 -1.72 103.07 98.70 2opo h GLY 41 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2opo h GLY 41 CO 0.00 0.00 -0.01 1.44 0.00 0.00 0.00 176.54 177.98 2opo n SER 42 N -4.04 2.59 -4.69 0.19 7.64 -0.16 -5.03 113.62 110.12 2opo n SER 42 Ca -0.02 -3.78 -0.44 0.00 1.01 0.00 0.00 58.87 55.65 2opo n SER 42 Cb 0.14 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 2opo n SER 42 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2opo n VAL 43 N -1.13 0.24 -2.71 0.44 3.14 -0.65 -4.93 118.33 112.74 2opo n VAL 43 Ca 0.36 -0.06 -0.31 0.00 -2.96 0.00 0.00 64.34 61.38 2opo n VAL 43 Cb 1.11 -1.72 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 2opo n VAL 43 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2opo s THR 44 N 0.76 4.73 0.23 1.55 -4.23 -1.26 -4.92 115.64 112.50 2opo s THR 44 Ca 0.74 0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 61.93 2opo s THR 44 Cb -0.60 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 69.70 2opo s THR 44 CO 0.39 -0.59 1.70 -0.65 -0.54 0.00 0.00 174.62 174.93 2opo h PRO 45 N 1.09 0.27 -0.77 3.99 0.11 -1.99 -1.10 132.00 133.61 2opo h PRO 45 Ca -0.47 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2opo h PRO 45 Cb 1.19 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 2opo h PRO 45 CO 0.63 0.18 0.45 0.22 -0.21 0.00 0.00 178.00 179.27 2opo h ASP 46 N 0.28 0.67 -0.28 -2.05 1.82 -1.99 -0.86 116.42 114.01 2opo h ASP 46 Ca 0.37 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 57.01 2opo h ASP 46 Cb 0.58 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 2opo h ASP 46 CO -0.45 0.41 0.05 -0.33 -1.61 0.00 0.00 179.24 177.31 2opo h GLU 47 N 0.80 0.46 -0.71 0.28 5.08 -1.79 -1.52 114.58 117.18 2opo h GLU 47 Ca 0.35 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2opo h GLU 47 Cb 0.24 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2opo h GLU 47 CO -0.20 0.57 0.40 0.28 -1.00 0.00 0.00 179.01 179.06 2opo h VAL 48 N 0.28 1.21 -0.89 3.13 2.07 -1.01 -0.97 116.25 120.07 2opo h VAL 48 Ca 0.08 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2opo h VAL 48 Cb 0.33 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2opo h VAL 48 CO 0.01 0.23 0.57 -0.09 0.02 0.00 0.00 177.57 178.31 2opo h ARG 49 N 0.98 1.07 -0.27 1.57 2.43 -0.91 0.27 114.38 119.53 2opo h ARG 49 Ca 0.25 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2opo h ARG 49 Cb 0.02 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2opo h ARG 49 CO -0.04 0.71 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.88 2opo h ARG 50 N 1.11 0.58 -0.64 0.20 2.43 -1.00 -2.17 114.38 114.89 2opo h ARG 50 Ca 0.36 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2opo h ARG 50 Cb 0.03 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2opo h ARG 50 CO -0.13 0.84 0.08 1.98 -1.51 0.00 0.00 179.97 181.24 2opo h MET 51 N 0.31 1.07 -0.60 0.20 4.05 -0.87 -2.38 114.93 116.71 2opo h MET 51 Ca 0.06 -0.30 0.10 0.00 -0.28 0.00 0.00 59.70 59.27 2opo h MET 51 Cb 0.69 -0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.29 2opo h MET 51 CO 0.05 1.00 0.20 1.98 0.23 0.00 0.00 176.91 180.37 2opo h MET 52 N 0.98 0.35 0.00 0.39 1.85 -0.90 -1.75 114.93 115.85 2opo h MET 52 Ca 0.19 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.22 2opo h MET 52 Cb 0.47 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 2opo h MET 52 CO 0.02 0.23 -0.17 0.00 -0.40 0.00 0.00 176.91 176.59 2opo h ALA 53 N 1.43 1.44 0.00 0.39 0.00 -1.00 0.52 119.26 122.04 2opo h ALA 53 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2opo h ALA 53 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2opo h ALA 53 CO -0.33 0.22 -0.03 0.93 0.00 0.00 0.00 179.25 180.04 2opo h GLU 54 N 0.00 0.00 0.00 0.00 5.08 -0.83 -3.36 114.58 115.47 2opo h GLU 54 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 2opo h GLU 54 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2opo h GLU 54 CO 0.02 0.03 -2.00 -0.89 -1.00 0.00 0.00 179.01 175.17 2opo n ILE 55 N -3.11 1.00 -2.56 3.13 5.41 -0.92 -4.75 119.36 117.56 2opo n ILE 55 Ca 0.04 -0.46 -0.42 0.00 1.00 0.00 0.00 62.75 62.90 2opo n ILE 55 Cb 0.53 -0.96 -0.01 0.00 -0.71 0.00 0.00 39.64 38.49 2opo n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2opo s ASP 56 N -5.39 6.74 0.33 4.38 2.15 0.18 -4.77 116.67 120.29 2opo s ASP 56 Ca -0.18 -2.31 0.01 0.00 0.43 0.00 0.00 52.55 50.50 2opo s ASP 56 Cb 0.05 -2.58 0.56 0.00 -0.30 0.00 0.00 42.92 40.65 2opo s ASP 56 CO 0.47 -1.27 1.94 0.74 -0.17 0.00 0.00 175.17 176.88 2opo h THR 57 N 5.73 1.19 -0.02 1.71 2.02 -1.84 -2.66 112.91 119.04 2opo h THR 57 Ca 0.41 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2opo h THR 57 Cb 0.89 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2opo h THR 57 CO 1.45 0.21 -0.04 -0.90 0.37 0.00 0.00 175.52 176.61 2opo n ASP 58 N -4.38 1.74 -1.44 4.18 5.68 -1.26 -4.96 116.55 116.11 2opo n ASP 58 Ca 0.05 -1.53 -0.15 0.00 -0.50 0.00 0.00 54.79 52.66 2opo n ASP 58 Cb 0.11 0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 2opo n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2opo n GLY 59 N 1.23 0.66 0.25 6.12 0.00 -1.01 -4.89 105.19 107.55 2opo n GLY 59 Ca 0.17 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.05 2opo n GLY 59 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2opo n ASP 60 N -0.66 0.78 0.00 1.61 5.75 -1.26 -4.93 116.55 117.83 2opo n ASP 60 Ca -0.17 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2opo n ASP 60 Cb 0.57 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2opo n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2opo n GLY 61 N 1.05 0.75 2.96 6.12 0.00 -1.26 -5.04 105.19 109.78 2opo n GLY 61 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2opo n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2opo s PHE 62 N -2.72 0.08 -0.40 1.61 0.08 -1.26 -5.12 117.98 110.25 2opo s PHE 62 Ca 0.00 -0.15 -0.20 0.00 0.12 0.00 0.00 56.93 56.70 2opo s PHE 62 Cb 0.00 -0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.40 2opo s PHE 62 CO 0.00 -0.12 0.59 0.42 -0.10 0.00 0.00 175.22 176.01 2opo s ILE 63 N -0.69 4.91 0.84 0.64 1.01 -1.26 -4.79 121.20 121.86 2opo s ILE 63 Ca -0.08 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 2opo s ILE 63 Cb -0.05 -4.11 0.09 0.00 0.01 0.00 0.00 42.46 38.41 2opo s ILE 63 CO -0.00 -0.44 1.12 -0.94 0.00 0.00 0.00 174.94 174.68 2opo s SER 64 N 1.89 4.18 0.20 3.58 1.04 -1.26 -4.87 113.70 118.46 2opo s SER 64 Ca 0.21 1.09 -0.08 0.00 0.48 0.00 0.00 55.95 57.65 2opo s SER 64 Cb -0.15 -1.74 0.12 0.00 0.10 0.00 0.00 66.02 64.35 2opo s SER 64 CO 0.16 -2.14 1.72 0.15 0.98 0.00 0.00 173.24 174.11 2opo h PHE 65 N -1.21 1.20 -0.69 5.02 3.57 -1.98 -0.72 116.94 122.13 2opo h PHE 65 Ca -0.48 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 60.85 2opo h PHE 65 Cb 1.30 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2opo h PHE 65 CO 0.38 0.96 0.30 -0.44 -2.23 0.00 0.00 178.31 177.28 2opo h ASP 66 N 1.09 0.91 -0.50 0.41 3.32 -1.98 0.23 116.42 119.89 2opo h ASP 66 Ca 0.23 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2opo h ASP 66 Cb 0.35 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2opo h ASP 66 CO -0.00 0.79 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.87 2opo h GLU 67 N 0.98 0.98 -0.21 3.56 5.08 -1.76 -0.64 114.58 122.57 2opo h GLU 67 Ca 0.23 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2opo h GLU 67 Cb 0.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2opo h GLU 67 CO -0.02 1.03 0.09 0.35 -1.00 0.00 0.00 179.01 179.46 2opo h PHE 68 N 0.88 0.32 -0.75 4.33 3.57 -0.91 -2.04 116.94 122.34 2opo h PHE 68 Ca 0.14 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2opo h PHE 68 Cb 0.66 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 2opo h PHE 68 CO 0.04 0.35 0.44 1.15 -2.23 0.00 0.00 178.31 178.06 2opo h THR 69 N 0.20 0.99 -0.34 4.41 2.02 -0.40 0.16 112.91 119.95 2opo h THR 69 Ca 0.07 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2opo h THR 69 Cb 0.16 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.64 2opo h THR 69 CO -0.01 0.15 -0.02 0.44 0.37 0.00 0.00 175.52 176.45 2opo h ASP 70 N 0.80 -0.18 -0.24 4.18 3.32 -0.88 0.27 116.42 123.70 2opo h ASP 70 Ca 0.33 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.49 2opo h ASP 70 Cb 0.19 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2opo h ASP 70 CO -0.18 -0.05 0.10 0.15 -1.72 0.00 0.00 179.24 177.54 2opo h PHE 71 N 0.07 0.19 -0.52 4.55 3.57 -0.79 -2.86 116.94 121.15 2opo h PHE 71 Ca 0.17 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 2opo h PHE 71 Cb 0.23 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2opo h PHE 71 CO -0.26 0.10 -0.02 0.00 -2.23 0.00 0.00 178.31 175.91 2opo h ALA 72 N 1.13 0.99 -0.09 2.41 0.00 -0.14 -1.79 119.26 121.77 2opo h ALA 72 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2opo h ALA 72 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2opo h ALA 72 CO -0.08 0.62 -0.45 0.00 0.00 0.00 0.00 179.25 179.34 2opo h ARG 73 N 0.83 0.22 0.00 0.00 3.08 -0.45 -2.42 114.38 115.64 2opo h ARG 73 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2opo h ARG 73 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2opo h ARG 73 CO 0.03 0.63 -0.08 0.00 -1.07 0.00 0.00 179.97 179.48 2opo n ALA 74 N -2.47 2.42 -3.14 0.04 0.00 -1.05 -4.26 120.51 112.04 2opo n ALA 74 Ca -0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2opo n ALA 74 Cb 0.50 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2opo n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2opo n ASN 75 N -1.92 1.05 0.27 0.00 3.02 -0.70 -4.97 115.26 112.01 2opo n ASN 75 Ca 0.06 -3.03 0.12 0.00 -0.03 0.00 0.00 54.58 51.70 2opo n ASN 75 Cb 0.39 -0.61 0.75 0.00 -0.61 0.00 0.00 39.78 39.70 2opo n ASN 75 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2opo h ARG 76 N 3.00 0.00 -0.49 3.52 3.08 -1.64 -2.55 114.38 119.29 2opo h ARG 76 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2opo h ARG 76 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 2opo h ARG 76 CO 0.52 0.07 0.01 0.78 -1.07 0.00 0.00 179.97 180.27 2opo h GLY 77 N 0.34 0.93 1.86 0.04 0.00 -1.93 -1.28 103.07 103.03 2opo h GLY 77 Ca -0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 2opo h GLY 77 CO 0.01 0.62 -0.34 -2.00 0.00 0.00 0.00 176.54 174.83 2opo h LEU 78 N 0.72 0.16 0.23 3.11 5.85 -1.84 1.01 115.31 124.56 2opo h LEU 78 Ca 0.14 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2opo h LEU 78 Cb 0.50 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2opo h LEU 78 CO 0.02 0.50 -0.11 0.58 -0.34 0.00 0.00 178.44 179.09 2opo h VAL 79 N 0.14 0.69 0.00 1.05 2.07 -1.47 -1.32 116.25 117.41 2opo h VAL 79 Ca 0.02 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2opo h VAL 79 Cb 0.67 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2opo h VAL 79 CO 0.05 0.16 -0.00 0.11 0.02 0.00 0.00 177.57 177.91 2opo h LYS 80 N -0.88 0.00 0.00 1.57 1.79 -1.15 0.19 116.57 118.09 2opo h LYS 80 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2opo h LYS 80 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2opo h LYS 80 CO 0.05 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.17 2opo n ASP 81 N -3.09 0.00 -0.19 0.86 9.92 0.35 -1.87 116.55 122.53 2opo n ASP 81 Ca -0.00 0.86 -0.01 0.00 -0.53 0.00 0.00 54.79 55.11 2opo n ASP 81 Cb 0.24 -0.47 0.06 0.00 -0.64 0.00 0.00 41.12 40.31 2opo n ASP 81 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2opo h VAL 82 N 0.00 0.43 -0.20 2.53 2.07 -0.79 0.55 116.25 120.84 2opo h VAL 82 Ca 0.00 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2opo h VAL 82 Cb 0.00 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2opo h VAL 82 CO 0.00 0.00 -0.28 0.28 0.02 0.00 0.00 177.57 177.59 2opo h SER 83 N 0.01 -0.94 -0.63 0.57 0.02 -0.76 -0.24 113.55 111.60 2opo h SER 83 Ca 0.28 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2opo h SER 83 Cb 0.44 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2opo h SER 83 CO -0.58 -0.20 0.00 2.29 -1.14 0.00 0.00 176.83 177.19 2opo n LYS 84 N -4.04 3.86 -0.04 3.45 2.85 -0.55 -4.19 118.16 119.50 2opo n LYS 84 Ca -0.02 -2.84 -0.08 0.00 -1.05 0.00 0.00 58.31 54.32 2opo n LYS 84 Cb 0.17 -1.95 -0.03 0.00 -0.65 0.00 0.00 35.03 32.58 2opo n LYS 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2opo n ILE 85 N 1.03 0.63 1.59 0.58 -0.00 0.18 -5.01 119.36 118.37 2opo n ILE 85 Ca 0.26 -0.05 0.14 0.00 -0.00 0.00 0.00 62.75 63.10 2opo n ILE 85 Cb 0.92 -1.66 0.60 0.00 -0.00 0.00 0.00 39.64 39.51 2opo n ILE 85 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04