#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5e s THR 2 N 0.00 3.67 -0.35 1.12 2.01 -1.26 -5.07 115.64 115.77 2k5e s THR 2 Ca 0.00 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 2k5e s THR 2 Cb 0.00 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2k5e s THR 2 CO 0.00 -0.47 1.56 -1.10 -0.69 0.00 0.00 174.62 173.93 2k5e s GLN 3 N 1.30 3.55 0.30 4.92 -0.21 -1.26 -4.89 119.66 123.38 2k5e s GLN 3 Ca 0.03 1.23 -0.01 0.00 0.02 0.00 0.00 55.36 56.63 2k5e s GLN 3 Cb -0.22 -4.07 0.47 0.00 1.00 0.00 0.00 33.01 30.19 2k5e s GLN 3 CO -0.00 -1.59 1.94 0.87 -2.12 0.00 0.00 175.29 174.39 2k5e h LYS 4 N 11.33 1.06 -4.80 2.91 1.57 -1.99 -3.32 116.57 123.32 2k5e h LYS 4 Ca -0.30 -0.06 -0.70 0.00 -1.87 0.00 0.00 60.65 57.71 2k5e h LYS 4 Cb 1.13 -0.24 -0.19 0.00 0.08 0.00 0.00 32.23 33.01 2k5e h LYS 4 CO 1.05 0.70 -0.03 -0.06 -0.57 0.00 0.00 179.45 180.54 2k5e s PHE 5 N -5.93 3.09 0.26 -1.35 0.40 -1.26 -5.01 117.98 108.18 2k5e s PHE 5 Ca -0.12 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.61 2k5e s PHE 5 Cb 0.19 -3.48 -0.06 0.00 0.51 0.00 0.00 43.02 40.18 2k5e s PHE 5 CO 0.80 -0.99 -0.02 -0.08 0.70 0.00 0.00 175.22 175.62 2k5e s THR 6 N 2.41 1.30 0.55 0.64 -1.32 -1.25 -4.80 115.64 113.18 2k5e s THR 6 Ca 0.12 -2.07 0.32 0.00 -1.21 0.00 0.00 61.69 58.86 2k5e s THR 6 Cb -0.21 -2.43 0.36 0.00 -1.51 0.00 0.00 72.50 68.71 2k5e s THR 6 CO 0.10 -0.29 2.23 0.07 -2.21 0.00 0.00 174.62 174.53 2k5e h LYS 7 N 2.36 0.00 -0.43 7.08 2.10 -1.94 -2.86 116.57 122.88 2k5e h LYS 7 Ca -0.39 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.22 2k5e h LYS 7 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 2k5e h LYS 7 CO 0.66 0.03 0.11 0.22 -2.00 0.00 0.00 179.45 178.47 2k5e h ASP 8 N 0.00 0.64 -4.12 7.07 3.58 -1.96 -3.00 116.42 118.62 2k5e h ASP 8 Ca -0.00 -0.23 -0.50 0.00 0.42 0.00 0.00 57.03 56.73 2k5e h ASP 8 Cb 0.09 -0.17 0.07 0.00 1.72 0.00 0.00 39.33 41.04 2k5e h ASP 8 CO 0.00 0.70 0.40 0.00 -2.88 0.00 0.00 179.24 177.47 2k5e s MET 9 N -5.32 3.32 0.62 0.28 0.23 -1.08 -4.67 119.30 112.68 2k5e s MET 9 Ca -0.13 1.46 -0.12 0.00 -1.03 0.00 0.00 55.69 55.87 2k5e s MET 9 Cb 0.10 -2.02 -0.04 0.00 -1.53 0.00 0.00 34.83 31.35 2k5e s MET 9 CO 0.77 -0.84 1.03 0.95 -2.03 0.00 0.00 175.02 174.90 2k5e s THR 10 N -2.02 4.49 0.19 3.16 -4.23 -1.26 -1.54 115.64 114.42 2k5e s THR 10 Ca 0.69 0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 61.97 2k5e s THR 10 Cb -0.21 -3.72 0.11 0.00 1.34 0.00 0.00 72.50 70.03 2k5e s THR 10 CO 0.30 -0.98 1.73 -0.26 -0.54 0.00 0.00 174.62 174.87 2k5e h PHE 11 N -0.17 0.25 -0.30 3.99 0.04 -1.30 -1.62 116.94 117.83 2k5e h PHE 11 Ca -0.45 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.38 2k5e h PHE 11 Cb 1.20 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 2k5e h PHE 11 CO 0.64 0.05 0.13 0.00 -0.60 0.00 0.00 178.31 178.53 2k5e h ALA 12 N 1.38 0.36 -0.88 2.45 0.00 -1.70 -1.21 119.26 119.66 2k5e h ALA 12 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2k5e h ALA 12 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2k5e h ALA 12 CO -0.30 -0.27 0.47 1.96 0.00 0.00 0.00 179.25 181.11 2k5e h GLN 13 N 0.28 1.23 -0.38 0.00 4.20 -1.75 -1.24 115.11 117.45 2k5e h GLN 13 Ca 0.13 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2k5e h GLN 13 Cb 0.08 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2k5e h GLN 13 CO -0.11 0.91 0.20 0.00 -0.67 0.00 0.00 178.83 179.16 2k5e h ALA 14 N 1.25 0.47 -0.88 3.87 0.00 -0.85 -0.57 119.26 122.56 2k5e h ALA 14 Ca 0.31 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2k5e h ALA 14 Cb 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2k5e h ALA 14 CO -0.05 -0.16 0.57 -0.07 0.00 0.00 0.00 179.25 179.55 2k5e h LEU 15 N 0.41 0.97 -1.17 0.00 3.38 -0.79 -1.67 115.31 116.43 2k5e h LEU 15 Ca 0.16 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2k5e h LEU 15 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2k5e h LEU 15 CO -0.10 0.68 -0.37 1.56 0.09 0.00 0.00 178.44 180.30 2k5e h GLN 16 N 1.14 0.00 -0.17 1.13 1.08 -0.83 -3.03 115.11 114.43 2k5e h GLN 16 Ca 0.34 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.38 2k5e h GLN 16 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2k5e h GLN 16 CO -0.10 0.37 -0.51 1.15 -0.95 0.00 0.00 178.83 178.79 2k5e h THR 17 N 0.00 1.33 -2.21 -0.54 2.02 -0.38 -3.44 112.91 109.68 2k5e h THR 17 Ca -0.00 -1.76 -0.19 0.00 0.77 0.00 0.00 66.41 65.23 2k5e h THR 17 Cb 0.76 1.97 -0.31 0.00 -1.74 0.00 0.00 68.15 68.83 2k5e h THR 17 CO 0.05 0.54 -0.50 -1.00 0.37 0.00 0.00 175.52 174.98 2k5e s HIS 18 N -3.88 -0.65 0.53 3.16 3.76 -0.70 -5.03 115.29 112.48 2k5e s HIS 18 Ca -0.12 0.79 0.32 0.00 -0.15 0.00 0.00 55.06 55.90 2k5e s HIS 18 Cb 0.07 -0.04 1.48 0.00 1.11 0.00 0.00 32.58 35.20 2k5e s HIS 18 CO 0.85 -0.63 1.86 -1.35 -0.85 0.00 0.00 174.74 174.62 2k5e h PRO 19 N 8.22 0.03 0.00 8.40 0.11 -1.82 0.57 132.00 147.52 2k5e h PRO 19 Ca -0.18 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2k5e h PRO 19 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k5e h PRO 19 CO 0.24 0.02 -0.04 0.78 -0.21 0.00 0.00 178.00 178.79 2k5e h GLY 20 N 0.03 0.00 0.80 -0.55 0.00 -1.94 -2.30 103.07 99.11 2k5e h GLY 20 Ca 0.47 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.91 2k5e h GLY 20 CO -0.02 0.00 0.51 -2.08 0.00 0.00 0.00 176.54 174.95 2k5e h VAL 21 N 0.00 0.91 -0.35 4.60 2.07 -1.18 -2.02 116.25 120.28 2k5e h VAL 21 Ca -0.00 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2k5e h VAL 21 Cb 0.09 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 2k5e h VAL 21 CO 0.01 0.12 0.02 0.00 0.02 0.00 0.00 177.57 177.73 2k5e h ALA 22 N 1.62 0.33 -0.53 1.67 0.00 -1.58 -0.06 119.26 120.71 2k5e h ALA 22 Ca 0.37 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2k5e h ALA 22 Cb 0.54 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k5e h ALA 22 CO -0.14 -0.38 0.27 0.78 0.00 0.00 0.00 179.25 179.78 2k5e h GLY 23 N 0.12 0.80 0.89 0.00 0.00 -1.53 -1.09 103.07 102.27 2k5e h GLY 23 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k5e h GLY 23 CO -0.26 0.36 -0.13 -2.08 0.00 0.00 0.00 176.54 174.43 2k5e h VAL 24 N 0.70 0.71 -0.09 4.60 2.07 -1.15 0.02 116.25 123.12 2k5e h VAL 24 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 2k5e h VAL 24 Cb 0.08 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2k5e h VAL 24 CO -0.03 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.47 2k5e h LEU 25 N -0.32 -0.10 -1.23 2.57 3.38 -0.93 -0.79 115.31 117.89 2k5e h LEU 25 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 25 Cb 0.28 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k5e h LEU 25 CO -0.00 -0.04 0.41 0.03 0.09 0.00 0.00 178.44 178.93 2k5e h ARG 26 N -0.01 0.94 -0.64 1.13 3.08 -1.11 0.16 114.38 117.92 2k5e h ARG 26 Ca 0.05 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2k5e h ARG 26 Cb 0.08 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2k5e h ARG 26 CO -0.10 0.66 0.25 1.03 -1.07 0.00 0.00 179.97 180.74 2k5e h SER 27 N 0.95 0.87 -0.45 7.04 0.87 -0.54 -2.70 113.55 119.59 2k5e h SER 27 Ca 0.25 -0.12 -0.23 0.00 -1.23 0.00 0.00 61.79 60.45 2k5e h SER 27 Cb -0.03 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 61.57 2k5e h SER 27 CO -0.05 0.78 0.30 -1.22 -0.53 0.00 0.00 176.83 176.11 2k5e n TYR 28 N -4.31 1.38 -1.26 2.24 4.02 -0.34 -4.85 117.16 114.04 2k5e n TYR 28 Ca 0.06 -1.11 -0.09 0.00 -0.01 0.00 0.00 57.90 56.74 2k5e n TYR 28 Cb 0.17 -0.57 -0.04 0.00 -0.02 0.00 0.00 39.34 38.89 2k5e n TYR 28 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k5e n ASN 29 N -0.23 -4.89 -1.77 7.72 2.85 -1.02 -4.85 115.26 113.07 2k5e n ASN 29 Ca 0.27 0.22 0.08 0.00 -0.11 0.00 0.00 54.58 55.04 2k5e n ASN 29 Cb 1.02 -3.19 0.39 0.00 1.24 0.00 0.00 39.78 39.25 2k5e n ASN 29 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k5e n LEU 30 N -1.03 5.39 0.24 1.20 4.77 0.44 -4.53 117.00 123.48 2k5e n LEU 30 Ca -0.09 -2.77 0.08 0.00 -0.03 0.00 0.00 56.01 53.20 2k5e n LEU 30 Cb 0.43 -0.65 0.60 0.00 -2.33 0.00 0.00 43.42 41.47 2k5e n LEU 30 CO 0.14 0.70 0.95 1.23 -1.33 0.00 0.00 177.39 179.07 2k5e h GLY 31 N 4.00 0.00 2.00 -0.72 0.00 -1.76 -2.64 103.07 103.95 2k5e h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5e h GLY 31 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.94 2k5e h ILE 33 N 0.00 0.59 -0.08 0.00 3.07 -1.83 0.21 117.51 119.46 2k5e h ILE 33 Ca 0.00 -0.04 -0.13 0.00 1.55 0.00 0.00 64.86 66.24 2k5e h ILE 33 Cb 0.28 0.46 -0.01 0.00 -0.27 0.00 0.00 36.82 37.27 2k5e h ILE 33 CO 0.00 0.02 -0.51 1.23 -1.05 0.00 0.00 178.15 177.84 2k5e h GLY 34 N 0.12 0.25 0.12 0.16 0.00 -1.84 -1.17 103.07 100.71 2k5e h GLY 34 Ca 0.44 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 2k5e h GLY 34 CO -0.06 0.24 -1.05 0.00 0.00 0.00 0.00 176.54 175.67 2k5e n MET 36 N -4.34 0.79 -0.92 0.00 0.00 -0.21 -4.81 117.12 107.63 2k5e n MET 36 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.44 2k5e n MET 36 Cb 0.69 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.76 2k5e n MET 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5e n GLY 37 N 0.22 0.45 0.00 3.17 0.00 -1.21 -4.85 105.19 102.96 2k5e n GLY 37 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2k5e n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5e n ALA 38 N 1.00 1.74 -0.27 4.61 0.00 -0.47 -2.51 120.51 124.61 2k5e n ALA 38 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k5e n ALA 38 Cb 0.11 -1.19 0.40 0.00 0.00 0.00 0.00 19.45 18.77 2k5e n ALA 38 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k5e h GLN 39 N 0.00 0.62 -0.58 0.00 1.08 -1.80 -0.68 115.11 113.76 2k5e h GLN 39 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2k5e h GLN 39 Cb 0.08 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2k5e h GLN 39 CO 0.00 0.41 0.00 0.09 -0.95 0.00 0.00 178.83 178.38 2k5e n ASN 40 N -4.57 3.12 -4.53 1.46 3.02 -1.05 -2.15 115.26 110.57 2k5e n ASN 40 Ca 0.18 -2.23 -0.29 0.00 -0.03 0.00 0.00 54.58 52.21 2k5e n ASN 40 Cb 0.52 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 2k5e n ASN 40 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k5e s GLU 41 N -1.67 1.92 0.56 3.52 2.12 -0.26 -4.97 118.70 119.93 2k5e s GLU 41 Ca 0.33 -1.17 -0.18 0.00 0.36 0.00 0.00 54.97 54.31 2k5e s GLU 41 Cb 0.20 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.38 2k5e s GLU 41 CO 0.17 0.48 1.08 -1.12 -0.54 0.00 0.00 175.26 175.33 2k5e s SER 42 N -2.32 5.80 0.18 -1.70 0.01 -1.26 -1.28 113.70 113.13 2k5e s SER 42 Ca 0.20 1.97 -0.14 0.00 1.31 0.00 0.00 55.95 59.30 2k5e s SER 42 Cb -0.10 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.75 2k5e s SER 42 CO 0.12 -1.16 1.70 -0.07 0.41 0.00 0.00 173.24 174.24 2k5e h LEU 43 N 0.85 -0.13 -0.47 2.44 3.38 -1.13 -2.59 115.31 117.66 2k5e h LEU 43 Ca -0.48 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 2k5e h LEU 43 Cb 1.24 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2k5e h LEU 43 CO 0.57 -0.04 -0.20 -0.08 0.09 0.00 0.00 178.44 178.78 2k5e h GLU 44 N 0.15 0.97 -0.20 1.13 4.81 -1.86 -1.19 114.58 118.38 2k5e h GLU 44 Ca 0.24 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2k5e h GLU 44 Cb 0.35 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2k5e h GLU 44 CO -0.37 1.08 -0.08 1.96 -0.73 0.00 0.00 179.01 180.87 2k5e h GLN 45 N 0.82 -0.04 -0.48 1.92 4.20 -1.78 0.18 115.11 119.91 2k5e h GLN 45 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2k5e h GLN 45 Cb 0.78 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2k5e h GLN 45 CO 0.06 -0.03 0.21 0.78 -0.67 0.00 0.00 178.83 179.18 2k5e h GLY 46 N -0.05 0.73 1.00 3.46 0.00 -1.38 -2.00 103.07 104.84 2k5e h GLY 46 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2k5e h GLY 46 CO -0.23 0.33 0.04 0.00 0.00 0.00 0.00 176.54 176.68 2k5e h ALA 47 N 1.55 0.09 -0.74 3.60 0.00 -0.22 -2.28 119.26 121.25 2k5e h ALA 47 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2k5e h ALA 47 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2k5e h ALA 47 CO -0.02 -0.42 0.49 -0.91 0.00 0.00 0.00 179.25 178.39 2k5e h ASN 48 N 0.09 0.75 -0.06 0.00 2.35 -0.73 0.20 115.58 118.18 2k5e h ASN 48 Ca 0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2k5e h ASN 48 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2k5e h ASN 48 CO -0.01 0.50 0.02 0.00 -1.65 0.00 0.00 177.43 176.30 2k5e h ALA 49 N 1.58 1.85 -0.46 -0.83 0.00 -0.90 -2.33 119.26 118.17 2k5e h ALA 49 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2k5e h ALA 49 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5e h ALA 49 CO -0.09 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.00 2k5e n HIS 50 N -4.47 0.60 -3.42 0.00 8.25 -0.41 -4.99 115.22 110.79 2k5e n HIS 50 Ca -0.01 -0.44 -0.20 0.00 -0.26 0.00 0.00 57.72 56.80 2k5e n HIS 50 Cb 0.12 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.29 2k5e n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5e n GLY 51 N 0.99 -0.31 3.62 -1.41 0.00 0.47 -5.02 105.19 103.53 2k5e n GLY 51 Ca 0.16 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 2k5e n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5e s LEU 52 N -6.31 2.98 -0.37 0.99 1.43 0.13 -4.99 118.68 112.54 2k5e s LEU 52 Ca 0.48 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 2k5e s LEU 52 Cb -0.21 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2k5e s LEU 52 CO 0.62 -0.17 0.51 0.21 0.23 0.00 0.00 176.35 177.75 2k5e s ASN 53 N -3.69 6.29 0.42 2.29 2.47 -1.26 -4.26 114.94 117.21 2k5e s ASN 53 Ca 0.34 -0.19 0.11 0.00 0.42 0.00 0.00 52.86 53.54 2k5e s ASN 53 Cb -0.02 -2.27 0.97 0.00 -1.45 0.00 0.00 41.25 38.48 2k5e s ASN 53 CO 0.19 -0.54 2.00 1.62 -3.72 0.00 0.00 177.10 176.66 2k5e h VAL 54 N 5.67 0.97 -0.11 -5.21 3.04 -1.92 -1.95 116.25 116.73 2k5e h VAL 54 Ca -0.27 -0.16 -0.07 0.00 -1.01 0.00 0.00 66.70 65.18 2k5e h VAL 54 Cb 1.12 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 2k5e h VAL 54 CO 0.79 0.09 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.84 2k5e h GLU 55 N 0.47 0.20 -0.17 4.17 5.08 -1.98 0.23 114.58 122.57 2k5e h GLU 55 Ca 0.24 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2k5e h GLU 55 Cb 0.34 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k5e h GLU 55 CO -0.07 0.46 -0.52 0.22 -1.00 0.00 0.00 179.01 178.10 2k5e h ASP 56 N 0.18 0.54 -0.00 1.42 3.58 -1.78 -1.96 116.42 118.40 2k5e h ASP 56 Ca 0.03 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k5e h ASP 56 Cb 0.57 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k5e h ASP 56 CO 0.04 0.97 -0.00 0.40 -2.88 0.00 0.00 179.24 177.76 2k5e h ILE 57 N 0.38 1.39 -0.69 2.25 2.04 -1.24 -3.17 117.51 118.47 2k5e h ILE 57 Ca 0.01 -1.16 0.14 0.00 1.00 0.00 0.00 64.86 64.86 2k5e h ILE 57 Cb 1.04 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 39.26 2k5e h ILE 57 CO 0.10 0.30 0.47 -0.07 0.00 0.00 0.00 178.15 178.94 2k5e h LEU 58 N -0.48 0.31 -0.24 1.44 3.38 -0.58 -0.83 115.31 118.31 2k5e h LEU 58 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2k5e h LEU 58 Cb 0.50 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 2k5e h LEU 58 CO 0.00 0.17 -0.27 -0.09 0.09 0.00 0.00 178.44 178.33 2k5e h ARG 59 N 0.34 -0.28 -0.18 1.13 2.43 -1.32 -1.01 114.38 115.48 2k5e h ARG 59 Ca 0.33 0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 2k5e h ARG 59 Cb 0.84 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2k5e h ARG 59 CO -0.09 -0.18 -0.71 0.22 -1.51 0.00 0.00 179.97 177.70 2k5e h ASP 60 N -0.29 0.90 -0.03 -3.80 1.82 -1.25 -1.59 116.42 112.19 2k5e h ASP 60 Ca 0.13 -0.56 0.02 0.00 -0.39 0.00 0.00 57.03 56.23 2k5e h ASP 60 Cb 0.49 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2k5e h ASP 60 CO -0.40 1.35 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.43 2k5e h LEU 61 N 0.55 -0.24 -1.06 2.28 3.38 -1.04 -0.81 115.31 118.36 2k5e h LEU 61 Ca -0.03 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k5e h LEU 61 Cb 1.32 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2k5e h LEU 61 CO 0.15 -0.12 -0.43 0.78 0.09 0.00 0.00 178.44 178.91 2k5e h ASN 62 N -0.13 0.00 0.48 -0.43 2.35 -1.25 -2.49 115.58 114.11 2k5e h ASN 62 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2k5e h ASN 62 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2k5e h ASN 62 CO -0.11 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 2k5e h ALA 63 N 1.57 1.00 0.00 -0.83 0.00 -0.32 -0.21 119.26 120.48 2k5e h ALA 63 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2k5e h ALA 63 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k5e h ALA 63 CO 0.06 0.00 -0.45 -0.07 0.00 0.00 0.00 179.25 178.78 2k5e h LEU 64 N 0.00 0.00 0.04 0.00 3.38 -0.70 0.48 115.31 118.51 2k5e h LEU 64 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2k5e h LEU 64 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2k5e h LEU 64 CO 0.00 0.45 -1.93 0.00 0.09 0.00 0.00 178.44 177.05 2k5e n ALA 65 N -2.43 1.31 -0.07 1.53 0.00 -0.21 -4.52 120.51 116.11 2k5e n ALA 65 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 53.44 52.39 2k5e n ALA 65 Cb 0.48 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 2k5e n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k5e n LEU 66 N -3.15 2.30 0.00 0.00 4.77 -0.48 -5.00 117.00 115.43 2k5e n LEU 66 Ca -0.25 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k5e n LEU 66 Cb 1.06 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2k5e n LEU 66 CO 0.43 0.61 0.00 -0.62 -1.33 0.00 0.00 177.39 176.48 2k5e n GLU 67 N -3.92 0.00 0.00 3.23 1.02 0.17 -4.83 120.64 116.31 2k5e n GLU 67 Ca -0.37 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2k5e n GLU 67 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.30 2k5e n GLU 67 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k5e n HIS 68 N 0.00 0.00 -1.66 -0.32 8.25 -1.26 -4.88 115.22 115.36 2k5e n HIS 68 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 2k5e n HIS 68 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2k5e n HIS 68 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5e s HIS 69 N 0.00 1.23 -0.97 4.41 3.76 -1.26 -4.87 115.29 117.60 2k5e s HIS 69 Ca 0.00 1.64 -0.24 0.00 -0.15 0.00 0.00 55.06 56.31 2k5e s HIS 69 Cb 0.00 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 2k5e s HIS 69 CO 0.00 -1.88 1.90 -3.38 -0.85 0.00 0.00 174.74 170.52 2k5e s HIS 70 N 13.22 1.92 0.33 1.40 -3.43 -1.26 -4.88 115.29 122.59 2k5e s HIS 70 Ca 0.89 0.43 -0.01 0.00 -0.80 0.00 0.00 55.06 55.57 2k5e s HIS 70 Cb -0.13 -4.11 -0.00 0.00 -1.43 0.00 0.00 32.58 26.90 2k5e s HIS 70 CO 0.12 -1.67 0.43 -1.01 -2.00 0.00 0.00 174.74 170.61 2k5e s HIS 71 N 9.66 1.15 -0.05 0.38 3.76 -1.26 -5.17 115.29 123.76 2k5e s HIS 71 Ca 0.67 -1.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.28 2k5e s HIS 71 Cb -0.05 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.45 2k5e s HIS 71 CO 0.01 -1.08 -0.16 -1.01 -0.85 0.00 0.00 174.74 171.65 2k5e s HIS 72 N -3.18 1.65 -1.52 1.40 0.09 -1.26 -5.21 115.29 107.26 2k5e s HIS 72 Ca 0.32 -0.51 0.00 0.00 -0.00 0.00 0.00 55.06 54.87 2k5e s HIS 72 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 32.58 31.45 2k5e s HIS 72 CO 0.21 -0.19 0.38 -2.39 -0.00 0.00 0.00 174.74 172.74