#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wce s THR 1 N 0.00 2.22 0.17 0.44 -4.23 -1.26 -4.86 115.64 108.13 2wce s THR 1 Ca 0.00 0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 2wce s THR 1 Cb 0.00 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 71.11 2wce s THR 1 CO 0.00 -0.10 1.77 0.50 -0.54 0.00 0.00 174.62 176.26 2wce h LYS 2 N -1.45 0.41 -0.38 3.99 3.11 -2.06 -1.34 116.57 118.86 2wce h LYS 2 Ca -0.50 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.37 2wce h LYS 2 Cb 1.32 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.41 2wce h LYS 2 CO 0.61 0.27 0.09 1.25 -2.81 0.00 0.00 179.45 178.87 2wce h LEU 3 N 0.43 0.05 -1.05 5.20 5.85 -2.00 -1.70 115.31 122.09 2wce h LEU 3 Ca 0.21 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2wce h LEU 3 Cb 0.15 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2wce h LEU 3 CO -0.17 0.06 0.56 -0.33 -0.34 0.00 0.00 178.44 178.22 2wce h GLU 4 N 0.23 1.21 -0.42 1.25 5.08 -1.80 -0.08 114.58 120.04 2wce h GLU 4 Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2wce h GLU 4 Cb 0.20 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wce h GLU 4 CO -0.22 0.83 0.24 0.93 -1.00 0.00 0.00 179.01 179.78 2wce h GLU 5 N 1.23 0.59 -0.50 2.33 5.08 -0.82 -0.37 114.58 122.12 2wce h GLU 5 Ca 0.33 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2wce h GLU 5 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2wce h GLU 5 CO -0.06 0.47 0.12 0.45 -1.00 0.00 0.00 179.01 178.98 2wce h HIS 6 N 0.55 0.85 -0.65 4.33 3.86 -0.92 -2.43 115.15 120.74 2wce h HIS 6 Ca 0.15 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 2wce h HIS 6 Cb 0.05 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 2wce h HIS 6 CO -0.02 0.76 0.22 -0.07 0.86 0.00 0.00 177.93 179.67 2wce h LEU 7 N 0.70 0.91 -0.54 2.43 3.38 -0.75 -2.11 115.31 119.33 2wce h LEU 7 Ca 0.16 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wce h LEU 7 Cb 0.34 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2wce h LEU 7 CO 0.00 0.84 0.30 -0.08 0.09 0.00 0.00 178.44 179.60 2wce h GLU 8 N 0.96 0.57 -0.54 1.13 4.57 -0.88 0.88 114.58 121.26 2wce h GLU 8 Ca 0.22 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 2wce h GLU 8 Cb 0.25 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2wce h GLU 8 CO -0.01 0.38 0.32 0.78 -1.18 0.00 0.00 179.01 179.29 2wce h GLY 9 N 0.59 0.77 1.06 1.92 0.00 -0.94 -1.58 103.07 104.88 2wce h GLY 9 Ca 0.23 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2wce h GLY 9 CO -0.13 0.19 -0.23 -2.22 0.00 0.00 0.00 176.54 174.15 2wce h ILE 10 N 0.62 1.28 -0.91 2.60 2.04 -0.72 -2.12 117.51 120.30 2wce h ILE 10 Ca 0.22 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.72 2wce h ILE 10 Cb 0.05 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2wce h ILE 10 CO -0.11 0.47 0.60 0.58 0.00 0.00 0.00 178.15 179.68 2wce h VAL 11 N 0.72 1.23 -0.44 1.67 2.07 -0.58 -1.11 116.25 119.80 2wce h VAL 11 Ca 0.09 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2wce h VAL 11 Cb 0.80 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2wce h VAL 11 CO 0.07 0.22 -0.17 0.78 0.02 0.00 0.00 177.57 178.49 2wce h ASN 12 N 1.22 0.86 -0.18 0.57 2.35 -1.05 -2.40 115.58 116.95 2wce h ASN 12 Ca 0.33 -0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 2wce h ASN 12 Cb -0.13 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.01 2wce h ASN 12 CO -0.08 1.02 -0.34 0.40 -1.65 0.00 0.00 177.43 176.79 2wce h ILE 13 N 0.75 1.34 -0.21 2.81 2.04 -0.93 -1.42 117.51 121.89 2wce h ILE 13 Ca 0.11 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.45 2wce h ILE 13 Cb 0.70 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 2wce h ILE 13 CO 0.05 0.48 -0.21 0.15 0.00 0.00 0.00 178.15 178.63 2wce h PHE 14 N 0.20 -0.54 0.00 1.37 3.57 -1.17 -2.45 116.94 117.92 2wce h PHE 14 Ca 0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2wce h PHE 14 Cb 0.93 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2wce h PHE 14 CO 0.09 -0.28 -0.28 0.45 -2.23 0.00 0.00 178.31 176.06 2wce h HIS 15 N -0.22 0.00 -0.65 0.41 3.86 -1.23 0.05 115.15 117.37 2wce h HIS 15 Ca 0.13 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.43 2wce h HIS 15 Cb 0.41 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2wce h HIS 15 CO -0.35 0.28 0.43 1.96 0.86 0.00 0.00 177.93 181.10 2wce h GLN 16 N 0.00 0.52 0.15 2.45 4.20 -0.78 -1.43 115.11 120.22 2wce h GLN 16 Ca -0.00 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 2wce h GLN 16 Cb 0.57 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.25 2wce h GLN 16 CO 0.04 0.34 -0.99 1.88 -0.67 0.00 0.00 178.83 179.43 2wce h TYR 17 N 0.53 0.57 0.00 2.96 -1.99 -1.11 -3.39 116.97 114.55 2wce h TYR 17 Ca 0.29 -0.42 -0.06 0.00 2.00 0.00 0.00 58.73 60.54 2wce h TYR 17 Cb 0.45 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2wce h TYR 17 CO -0.00 1.38 -0.31 0.66 -0.00 0.00 0.00 178.16 179.89 2wce h SER 18 N -0.31 0.00 1.05 3.88 4.64 -0.79 -2.68 113.55 119.34 2wce h SER 18 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2wce h SER 18 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2wce h SER 18 CO 0.15 0.31 0.00 0.58 -0.87 0.00 0.00 176.83 177.00 2wce h VAL 19 N 0.00 0.00 -0.52 0.95 2.07 -1.17 -3.35 116.25 114.23 2wce h VAL 19 Ca -0.00 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2wce h VAL 19 Cb 0.62 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2wce h VAL 19 CO 0.04 0.00 0.34 0.03 0.02 0.00 0.00 177.57 178.00 2wce h ARG 20 N 0.00 0.67 -4.53 1.57 3.08 -1.67 -3.45 114.38 110.05 2wce h ARG 20 Ca 0.00 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.79 2wce h ARG 20 Cb 0.53 -0.15 -0.17 0.00 0.08 0.00 0.00 29.97 30.26 2wce h ARG 20 CO 0.00 0.44 -0.70 0.15 -1.07 0.00 0.00 179.97 178.79 2wce s LYS 21 N -6.15 0.70 4.18 0.04 3.01 -1.26 -5.11 119.74 115.15 2wce s LYS 21 Ca -0.13 -1.15 0.00 0.00 -1.01 0.00 0.00 55.97 53.68 2wce s LYS 21 Cb 0.12 -0.14 0.00 0.00 -1.01 0.00 0.00 37.83 36.80 2wce s LYS 21 CO 0.74 -0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.99 2wce n GLY 22 N 0.41 2.77 3.76 -3.33 0.00 -1.26 -4.58 105.19 102.97 2wce n GLY 22 Ca -0.15 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2wce n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wce s HIS 23 N 0.00 3.46 0.44 1.61 5.65 -1.26 -4.92 115.29 120.26 2wce s HIS 23 Ca 0.00 1.67 0.34 0.00 0.25 0.00 0.00 55.06 57.32 2wce s HIS 23 Cb 0.00 -3.27 1.76 0.00 -1.18 0.00 0.00 32.58 29.90 2wce s HIS 23 CO 0.00 -0.65 2.16 0.27 -0.65 0.00 0.00 174.74 175.87 2wce h PHE 24 N 3.42 0.00 -0.03 3.88 -0.00 -1.81 -3.11 116.94 119.30 2wce h PHE 24 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 2wce h PHE 24 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 2wce h PHE 24 CO 0.58 0.05 0.00 -0.40 -0.00 0.00 0.00 178.31 178.54 2wce n ASP 25 N -3.37 2.14 -4.34 -0.68 3.85 -1.26 -3.00 116.55 109.89 2wce n ASP 25 Ca -0.02 -2.18 -0.18 0.00 -0.71 0.00 0.00 54.79 51.70 2wce n ASP 25 Cb 0.19 -0.09 -0.10 0.00 -1.35 0.00 0.00 41.12 39.77 2wce n ASP 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2wce s THR 26 N -1.32 1.28 0.04 2.12 -4.23 -1.18 -4.35 115.64 108.01 2wce s THR 26 Ca 0.07 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2wce s THR 26 Cb 0.06 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 2wce s THR 26 CO 0.02 -0.41 -0.03 -1.48 -0.54 0.00 0.00 174.62 172.18 2wce s LEU 27 N -3.32 2.39 0.71 4.79 2.34 -0.57 -4.60 118.68 120.41 2wce s LEU 27 Ca 0.26 -0.82 -0.14 0.00 0.06 0.00 0.00 54.13 53.50 2wce s LEU 27 Cb 0.04 0.18 0.02 0.00 -0.56 0.00 0.00 46.19 45.87 2wce s LEU 27 CO 0.08 -0.50 1.11 -0.94 -1.06 0.00 0.00 176.35 175.05 2wce s SER 28 N -2.41 4.79 0.38 1.48 1.04 -1.26 -0.31 113.70 117.41 2wce s SER 28 Ca -0.01 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.45 2wce s SER 28 Cb 0.02 -2.55 0.75 0.00 0.10 0.00 0.00 66.02 64.34 2wce s SER 28 CO -0.07 -1.84 2.03 0.11 0.98 0.00 0.00 173.24 174.45 2wce h LYS 29 N -0.39 0.66 -0.44 4.02 1.57 -0.64 0.34 116.57 121.69 2wce h LYS 29 Ca -0.46 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2wce h LYS 29 Cb 1.25 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2wce h LYS 29 CO 0.53 0.45 0.26 0.78 -0.57 0.00 0.00 179.45 180.90 2wce h GLY 30 N 0.69 0.61 1.47 3.86 0.00 -1.34 -0.74 103.07 107.64 2wce h GLY 30 Ca 0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2wce h GLY 30 CO -0.04 0.18 -0.12 0.83 0.00 0.00 0.00 176.54 177.39 2wce h GLU 31 N 0.53 0.63 -0.56 4.80 5.08 -1.51 -2.61 114.58 120.95 2wce h GLU 31 Ca 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2wce h GLU 31 Cb -0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2wce h GLU 31 CO -0.07 0.74 0.17 1.25 -1.00 0.00 0.00 179.01 180.09 2wce h LEU 32 N 0.58 0.78 -0.47 1.33 5.85 -0.55 -0.39 115.31 122.44 2wce h LEU 32 Ca 0.10 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wce h LEU 32 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2wce h LEU 32 CO 0.03 0.74 0.29 0.50 -0.34 0.00 0.00 178.44 179.66 2wce h LYS 33 N 0.82 0.64 -0.21 1.25 3.64 -0.81 0.09 116.57 121.99 2wce h LYS 33 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2wce h LYS 33 Cb 0.25 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2wce h LYS 33 CO -0.01 0.46 0.13 0.37 -2.27 0.00 0.00 179.45 178.14 2wce h GLN 34 N 0.63 0.27 -0.13 1.90 4.15 -1.10 -1.34 115.11 119.49 2wce h GLN 34 Ca 0.17 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.62 2wce h GLN 34 Cb -0.01 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.56 2wce h GLN 34 CO -0.03 0.18 -0.28 1.25 -1.93 0.00 0.00 178.83 178.02 2wce h LEU 35 N 0.27 -0.88 -0.71 -2.39 6.46 -0.78 -1.37 115.31 115.91 2wce h LEU 35 Ca 0.07 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2wce h LEU 35 Cb -0.03 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2wce h LEU 35 CO -0.02 -0.33 0.31 -0.07 -0.62 0.00 0.00 178.44 177.71 2wce h LEU 36 N -0.36 0.95 -0.81 2.25 3.38 -0.89 0.19 115.31 120.03 2wce h LEU 36 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wce h LEU 36 Cb 0.51 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2wce h LEU 36 CO -0.33 0.84 0.52 0.74 0.09 0.00 0.00 178.44 180.31 2wce h THR 37 N 1.00 1.15 0.00 0.22 2.02 -0.94 -0.72 112.91 115.63 2wce h THR 37 Ca 0.24 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2wce h THR 37 Cb 0.17 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2wce h THR 37 CO -0.02 0.19 -0.14 0.50 0.37 0.00 0.00 175.52 176.42 2wce h LYS 38 N 1.03 0.00 0.00 6.66 3.64 -0.95 -3.28 116.57 123.67 2wce h LYS 38 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2wce h LYS 38 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wce h LYS 38 CO -0.10 0.68 -0.13 0.93 -2.27 0.00 0.00 179.45 178.56 2wce h GLU 39 N -1.00 0.00 -0.49 1.90 4.39 -0.65 -3.02 114.58 115.71 2wce h GLU 39 Ca -0.03 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.39 2wce h GLU 39 Cb 0.72 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.21 2wce h GLU 39 CO -0.02 0.00 -0.02 1.28 -1.16 0.00 0.00 179.01 179.09 2wce n LEU 40 N -3.03 4.68 -0.26 1.33 4.77 -0.28 -4.84 117.00 119.36 2wce n LEU 40 Ca 0.04 -3.90 -0.01 0.00 -0.03 0.00 0.00 56.01 52.11 2wce n LEU 40 Cb 0.53 -0.65 0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2wce n LEU 40 CO 0.35 1.34 1.12 0.00 -1.33 0.00 0.00 177.39 178.88 2wce h ALA 41 N 1.17 1.00 -0.11 -1.18 0.00 -1.59 0.16 119.26 118.71 2wce h ALA 41 Ca 0.30 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2wce h ALA 41 Cb 1.71 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2wce h ALA 41 CO 0.57 0.12 -0.53 -0.91 0.00 0.00 0.00 179.25 178.50 2wce h ASN 42 N 0.78 0.65 -0.33 0.00 2.35 -1.88 -2.50 115.58 114.65 2wce h ASN 42 Ca 0.33 -0.64 0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2wce h ASN 42 Cb 0.20 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2wce h ASN 42 CO -0.18 1.18 0.01 0.74 -1.65 0.00 0.00 177.43 177.53 2wce h THR 43 N 0.16 0.76 -0.78 2.81 2.02 -1.66 -0.77 112.91 115.44 2wce h THR 43 Ca -0.04 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.14 2wce h THR 43 Cb 1.17 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 2wce h THR 43 CO 0.11 0.02 0.50 0.40 0.37 0.00 0.00 175.52 176.91 2wce h ILE 44 N 0.11 1.11 0.00 3.11 2.04 -0.98 -0.69 117.51 122.21 2wce h ILE 44 Ca 0.16 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2wce h ILE 44 Cb 0.21 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2wce h ILE 44 CO -0.26 0.18 -0.13 0.50 0.00 0.00 0.00 178.15 178.43 2wce h LYS 45 N 0.96 0.00 0.00 2.37 1.63 -0.96 -2.28 116.57 118.30 2wce h LYS 45 Ca 0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2wce h LYS 45 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2wce h LYS 45 CO -0.12 0.13 0.00 0.09 -3.45 0.00 0.00 179.45 176.11 2wce n ASN 46 N -4.13 0.61 -4.66 4.20 3.02 -0.30 -4.76 115.26 109.23 2wce n ASN 46 Ca -0.02 0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 54.67 2wce n ASN 46 Cb 0.21 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 2wce n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wce s ILE 47 N -3.12 4.05 0.04 2.41 1.01 -0.86 -4.71 121.20 120.03 2wce s ILE 47 Ca 0.10 1.28 -0.18 0.00 0.00 0.00 0.00 60.65 61.86 2wce s ILE 47 Cb 0.13 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 38.55 2wce s ILE 47 CO 0.53 -0.11 1.16 0.07 0.00 0.00 0.00 174.94 176.60 2wce h LYS 48 N 8.57 0.53 -5.59 2.79 5.09 -1.86 -3.40 116.57 122.71 2wce h LYS 48 Ca -0.31 -0.53 -0.64 0.00 0.09 0.00 0.00 60.65 59.27 2wce h LYS 48 Cb 1.13 0.14 -0.14 0.00 0.10 0.00 0.00 32.23 33.46 2wce h LYS 48 CO 0.96 1.16 1.07 0.34 -2.09 0.00 0.00 179.45 180.89 2wce s ASP 49 N -6.89 6.49 0.30 7.07 3.68 -1.26 -4.87 116.67 121.19 2wce s ASP 49 Ca -0.12 -1.58 0.22 0.00 2.13 0.00 0.00 52.55 53.20 2wce s ASP 49 Cb 0.05 -2.48 1.10 0.00 -1.45 0.00 0.00 42.92 40.15 2wce s ASP 49 CO 0.85 -1.34 1.67 0.29 0.13 0.00 0.00 175.17 176.77 2wce n LYS 50 N 7.78 0.15 0.23 4.34 4.76 -1.26 -1.24 118.16 132.92 2wce n LYS 50 Ca 0.23 0.58 0.09 0.00 -2.87 0.00 0.00 58.31 56.33 2wce n LYS 50 Cb 0.49 -1.93 0.54 0.00 -1.84 0.00 0.00 35.03 32.30 2wce n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wce h ALA 51 N 2.07 1.27 0.17 7.82 0.00 -1.97 -2.41 119.26 126.22 2wce h ALA 51 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wce h ALA 51 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wce h ALA 51 CO 0.00 0.29 -0.08 0.28 0.00 0.00 0.00 179.25 179.73 2wce h VAL 52 N 0.00 0.90 0.09 0.00 2.07 -1.59 -0.25 116.25 117.46 2wce h VAL 52 Ca -0.00 -0.35 -0.28 0.00 0.82 0.00 0.00 66.70 66.89 2wce h VAL 52 Cb 0.53 1.11 0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2wce h VAL 52 CO 0.03 0.08 -1.18 0.40 0.02 0.00 0.00 177.57 176.92 2wce h ILE 53 N -0.40 1.33 -0.65 4.57 1.08 -1.72 -1.43 117.51 120.29 2wce h ILE 53 Ca -0.02 -2.51 0.13 0.00 -0.39 0.00 0.00 64.86 62.07 2wce h ILE 53 Cb 0.31 2.64 -0.10 0.00 -3.07 0.00 0.00 36.82 36.61 2wce h ILE 53 CO 0.04 0.76 0.12 0.44 -0.69 0.00 0.00 178.15 178.82 2wce h ASP 54 N 0.26 -0.03 -0.25 1.72 3.32 -1.51 0.21 116.42 120.13 2wce h ASP 54 Ca -0.16 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2wce h ASP 54 Cb 1.85 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.57 2wce h ASP 54 CO 0.22 -0.02 0.10 -0.33 -1.72 0.00 0.00 179.24 177.49 2wce h GLU 55 N 0.24 0.37 -0.71 3.56 4.39 -0.86 0.36 114.58 121.94 2wce h GLU 55 Ca 0.35 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.01 2wce h GLU 55 Cb 0.55 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2wce h GLU 55 CO -0.45 0.41 0.45 0.82 -1.16 0.00 0.00 179.01 179.07 2wce h ILE 56 N 0.25 1.11 -0.18 3.13 2.04 -0.85 -2.33 117.51 120.68 2wce h ILE 56 Ca 0.08 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 2wce h ILE 56 Cb 0.18 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2wce h ILE 56 CO -0.01 0.16 -0.45 -0.26 0.00 0.00 0.00 178.15 177.59 2wce h PHE 57 N 0.88 0.55 -0.41 1.37 -1.00 -0.39 -2.18 116.94 115.77 2wce h PHE 57 Ca 0.28 -0.17 0.08 0.00 2.81 0.00 0.00 57.97 60.97 2wce h PHE 57 Cb -0.00 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 39.37 2wce h PHE 57 CO -0.04 0.83 -0.05 0.37 -1.61 0.00 0.00 178.31 177.81 2wce h GLN 58 N 0.37 0.05 -0.90 1.51 -0.00 0.11 0.11 115.11 116.37 2wce h GLN 58 Ca 0.03 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 2wce h GLN 58 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.36 2wce h GLN 58 CO 0.08 0.03 0.58 0.78 0.00 0.00 0.00 178.83 180.30 2wce h GLY 59 N 0.05 1.27 0.97 2.39 0.00 -1.18 0.12 103.07 106.69 2wce h GLY 59 Ca 0.20 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2wce h GLY 59 CO -0.38 0.48 -0.14 1.41 0.00 0.00 0.00 176.54 177.92 2wce h LEU 60 N 1.22 0.75 -0.56 3.11 3.38 -0.85 -2.78 115.31 119.58 2wce h LEU 60 Ca 0.33 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2wce h LEU 60 Cb -0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2wce h LEU 60 CO -0.07 0.97 0.19 0.44 0.09 0.00 0.00 178.44 180.06 2wce h ASP 61 N 0.53 0.81 -0.85 -0.43 3.32 -0.58 -2.29 116.42 116.92 2wce h ASP 61 Ca 0.09 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.03 2wce h ASP 61 Cb 0.67 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 2wce h ASP 61 CO 0.05 0.78 0.55 0.00 -1.72 0.00 0.00 179.24 178.90 2wce h ALA 62 N 1.05 1.67 -1.11 3.45 0.00 -0.66 -3.19 119.26 120.47 2wce h ALA 62 Ca 0.18 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.61 2wce h ALA 62 Cb 0.25 -0.20 -0.41 0.00 0.00 0.00 0.00 17.79 17.43 2wce h ALA 62 CO -0.01 0.17 -0.92 0.09 0.00 0.00 0.00 179.25 178.57 2wce n ASN 63 N -4.51 3.45 0.29 0.00 3.02 -1.06 -4.95 115.26 111.50 2wce n ASN 63 Ca 0.14 -3.24 0.17 0.00 -0.03 0.00 0.00 54.58 51.62 2wce n ASN 63 Cb 0.29 -0.46 0.84 0.00 -0.61 0.00 0.00 39.78 39.84 2wce n ASN 63 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2wce h GLN 64 N 2.63 0.00 -0.02 3.52 3.07 -1.40 -1.70 115.11 121.22 2wce h GLN 64 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2wce h GLN 64 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 2wce h GLN 64 CO 0.66 0.04 -0.04 -0.25 0.09 0.00 0.00 178.83 179.33 2wce n ASP 65 N -3.25 2.05 -4.76 0.06 8.00 -1.26 -1.20 116.55 116.19 2wce n ASP 65 Ca -0.01 -1.65 -0.41 0.00 0.71 0.00 0.00 54.79 53.44 2wce n ASP 65 Cb 0.23 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2wce n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wce s GLU 66 N -2.05 4.52 0.10 -1.24 2.02 -0.64 -4.77 118.70 116.63 2wce s GLU 66 Ca 0.33 1.96 -0.17 0.00 0.02 0.00 0.00 54.97 57.10 2wce s GLU 66 Cb 0.20 -3.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 2wce s GLU 66 CO 0.34 0.02 0.56 -0.65 0.02 0.00 0.00 175.26 175.56 2wce s GLN 67 N -1.34 4.11 0.02 1.61 -1.52 -1.26 -0.67 119.66 120.61 2wce s GLN 67 Ca 0.47 0.64 0.05 0.00 -1.95 0.00 0.00 55.36 54.58 2wce s GLN 67 Cb -0.35 -3.13 -0.02 0.00 -0.22 0.00 0.00 33.01 29.30 2wce s GLN 67 CO 0.44 0.58 -0.15 0.14 -0.25 0.00 0.00 175.29 176.05 2wce s VAL 68 N -1.24 1.22 0.56 1.09 -7.23 0.58 -4.93 120.40 110.46 2wce s VAL 68 Ca 0.32 -0.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2wce s VAL 68 Cb -0.18 -1.07 0.09 0.00 0.56 0.00 0.00 36.38 35.78 2wce s VAL 68 CO 0.19 0.14 0.72 -0.90 -0.31 0.00 0.00 175.10 174.94 2wce n ASP 69 N 2.15 2.15 -0.26 4.85 5.68 -1.26 -1.51 116.55 128.35 2wce n ASP 69 Ca -0.17 -2.55 0.03 0.00 -0.50 0.00 0.00 54.79 51.61 2wce n ASP 69 Cb 0.55 -0.36 0.16 0.00 -1.14 0.00 0.00 41.12 40.33 2wce n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2wce h PHE 70 N 0.18 0.69 -0.88 2.11 3.57 -2.00 -1.23 116.94 119.37 2wce h PHE 70 Ca -0.27 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.31 2wce h PHE 70 Cb 1.22 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 2wce h PHE 70 CO 0.00 0.23 0.56 1.96 -2.23 0.00 0.00 178.31 178.83 2wce h GLN 71 N 0.63 1.03 -0.10 1.11 4.20 -1.97 -0.38 115.11 119.62 2wce h GLN 71 Ca 0.39 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.83 2wce h GLN 71 Cb 0.45 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2wce h GLN 71 CO -0.30 0.68 -0.77 1.49 -0.67 0.00 0.00 178.83 179.26 2wce h GLU 72 N 1.06 0.57 -0.55 1.46 4.81 -1.76 -2.29 114.58 117.87 2wce h GLU 72 Ca 0.37 -0.47 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2wce h GLU 72 Cb 0.09 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2wce h GLU 72 CO -0.15 1.10 0.29 0.35 -0.73 0.00 0.00 179.01 179.87 2wce h PHE 73 N 0.38 0.52 -0.63 0.92 3.57 -0.79 -2.74 116.94 118.17 2wce h PHE 73 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wce h PHE 73 Cb 1.37 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 2wce h PHE 73 CO 0.06 0.25 0.37 0.82 -2.23 0.00 0.00 178.31 177.58 2wce h ILE 74 N 0.55 1.19 0.00 1.41 1.08 -0.93 -0.82 117.51 119.98 2wce h ILE 74 Ca 0.24 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2wce h ILE 74 Cb 0.15 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2wce h ILE 74 CO -0.17 0.20 0.00 -0.24 -0.69 0.00 0.00 178.15 177.26 2wce n SER 75 N -4.58 0.00 0.00 1.72 2.88 -0.88 -0.96 113.62 111.81 2wce n SER 75 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2wce n SER 75 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2wce n SER 75 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2wce n VAL 77 N 0.44 0.00 -0.38 2.46 0.31 -0.32 -1.93 118.33 118.93 2wce n VAL 77 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wce n VAL 77 Cb 0.00 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.06 2wce n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wce h ALA 78 N 0.00 1.31 -0.27 3.52 0.00 -1.31 0.04 119.26 122.56 2wce h ALA 78 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wce h ALA 78 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2wce h ALA 78 CO 0.00 0.59 0.15 0.82 0.00 0.00 0.00 179.25 180.81 2wce h ILE 79 N 1.30 1.13 -0.41 0.00 2.04 -1.66 -1.29 117.51 118.62 2wce h ILE 79 Ca 0.39 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 2wce h ILE 79 Cb -0.05 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2wce h ILE 79 CO -0.11 0.13 0.04 0.00 0.00 0.00 0.00 178.15 178.20 2wce h ALA 80 N 1.02 0.55 -0.21 1.87 0.00 -1.78 -2.09 119.26 118.62 2wce h ALA 80 Ca 0.10 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wce h ALA 80 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2wce h ALA 80 CO -0.01 0.29 0.07 1.25 0.00 0.00 0.00 179.25 180.85 2wce h LEU 81 N 0.54 0.08 -0.64 0.00 5.85 -0.90 -1.84 115.31 118.39 2wce h LEU 81 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2wce h LEU 81 Cb 0.42 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2wce h LEU 81 CO 0.01 0.07 0.33 0.50 -0.34 0.00 0.00 178.44 179.02 2wce h LYS 82 N 0.17 0.58 0.00 1.25 3.64 -1.07 0.66 116.57 121.80 2wce h LYS 82 Ca 0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2wce h LYS 82 Cb 0.06 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2wce h LYS 82 CO -0.10 0.38 -0.13 0.00 -2.27 0.00 0.00 179.45 177.33 2wce h ALA 83 N 1.36 1.61 -0.20 5.00 0.00 -0.69 -0.25 119.26 126.10 2wce h ALA 83 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wce h ALA 83 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wce h ALA 83 CO -0.21 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2wce n ALA 84 N -2.44 2.48 -3.24 0.00 0.00 -0.62 -4.38 120.51 112.31 2wce n ALA 84 Ca -0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 2wce n ALA 84 Cb 0.21 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2wce n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wce n HIS 85 N 0.09 -1.88 -1.65 0.00 -0.00 -0.11 -2.07 115.22 109.60 2wce n HIS 85 Ca 0.09 0.50 -0.16 0.00 -0.00 0.00 0.00 57.72 58.15 2wce n HIS 85 Cb 0.19 -3.60 -0.06 0.00 -0.00 0.00 0.00 29.99 26.53 2wce n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2wce n TYR 86 N -4.19 -0.16 -3.14 4.41 4.01 0.13 -4.99 117.16 113.23 2wce n TYR 86 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.28 2wce n TYR 86 Cb 0.57 -2.94 -0.07 0.00 -0.31 0.00 0.00 39.34 36.59 2wce n TYR 86 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2wce s HIS 87 N -2.65 3.21 -0.92 -0.72 3.76 -0.88 -4.92 115.29 112.17 2wce s HIS 87 Ca 0.00 0.51 0.08 0.00 -0.15 0.00 0.00 55.06 55.50 2wce s HIS 87 Cb 0.00 -2.98 0.08 0.00 1.11 0.00 0.00 32.58 30.79 2wce s HIS 87 CO 0.00 -0.48 0.79 0.25 -0.85 0.00 0.00 174.74 174.44 2wce n THR 88 N 5.40 0.10 -3.54 1.30 -2.24 -1.26 -4.32 114.28 109.72 2wce n THR 88 Ca -0.02 -0.55 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 2wce n THR 88 Cb 0.49 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 2wce n THR 88 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2wce s HIS 89 N -0.67 3.49 -2.00 4.78 -3.43 -1.26 -4.32 115.29 111.87 2wce s HIS 89 Ca 0.10 0.36 0.22 0.00 -0.80 0.00 0.00 55.06 54.93 2wce s HIS 89 Cb 0.07 -1.88 1.30 0.00 -1.43 0.00 0.00 32.58 30.64 2wce s HIS 89 CO 0.10 0.25 1.68 0.36 -2.00 0.00 0.00 174.74 175.13