#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5e n THR 2 N 0.00 0.53 -3.87 1.12 -1.04 -1.26 -4.98 114.28 104.78 2k5e n THR 2 Ca 0.00 -0.20 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 2k5e n THR 2 Cb 0.00 -2.07 -0.10 0.00 -1.82 0.00 0.00 70.33 66.34 2k5e n THR 2 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2k5e s GLN 3 N 4.85 3.96 0.48 -2.82 -0.21 -1.26 -5.01 119.66 119.65 2k5e s GLN 3 Ca 0.96 -0.34 0.17 0.00 0.02 0.00 0.00 55.36 56.17 2k5e s GLN 3 Cb -0.59 -3.32 1.15 0.00 1.00 0.00 0.00 33.01 31.24 2k5e s GLN 3 CO 0.46 0.15 2.04 0.87 -2.12 0.00 0.00 175.29 176.70 2k5e h LYS 4 N 7.14 0.00 -4.73 2.91 1.57 -1.96 -3.37 116.57 118.13 2k5e h LYS 4 Ca -0.37 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.72 2k5e h LYS 4 Cb 1.17 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.23 2k5e h LYS 4 CO 0.67 0.14 -0.57 -0.06 -0.57 0.00 0.00 179.45 179.06 2k5e s PHE 5 N -4.64 3.19 0.26 -1.35 0.40 -1.26 -5.06 117.98 109.53 2k5e s PHE 5 Ca -0.04 -0.90 0.07 0.00 -0.60 0.00 0.00 56.93 55.46 2k5e s PHE 5 Cb 0.16 -2.33 -0.06 0.00 0.51 0.00 0.00 43.02 41.30 2k5e s PHE 5 CO 0.67 -0.57 -0.07 -0.08 0.70 0.00 0.00 175.22 175.86 2k5e s THR 6 N 1.54 1.65 0.42 0.64 -1.32 -1.26 -4.85 115.64 112.46 2k5e s THR 6 Ca 0.03 -2.14 0.40 0.00 -1.21 0.00 0.00 61.69 58.76 2k5e s THR 6 Cb -0.18 -2.37 0.42 0.00 -1.51 0.00 0.00 72.50 68.86 2k5e s THR 6 CO 0.05 -0.36 2.21 0.07 -2.21 0.00 0.00 174.62 174.38 2k5e h LYS 7 N 2.34 0.00 -0.28 7.08 2.10 -1.97 -2.88 116.57 122.95 2k5e h LYS 7 Ca -0.40 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.19 2k5e h LYS 7 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2k5e h LYS 7 CO 0.66 0.00 -0.06 0.22 -2.00 0.00 0.00 179.45 178.26 2k5e h ASP 8 N 0.00 0.55 -4.17 7.07 3.58 -1.97 -3.18 116.42 118.30 2k5e h ASP 8 Ca 0.00 -0.36 -0.51 0.00 0.42 0.00 0.00 57.03 56.58 2k5e h ASP 8 Cb 0.17 -0.15 0.10 0.00 1.72 0.00 0.00 39.33 41.17 2k5e h ASP 8 CO 0.00 0.78 0.39 0.00 -2.88 0.00 0.00 179.24 177.53 2k5e s MET 9 N -4.78 2.92 0.54 0.28 0.23 -1.09 -4.65 119.30 112.75 2k5e s MET 9 Ca -0.13 1.46 -0.01 0.00 -1.03 0.00 0.00 55.69 55.97 2k5e s MET 9 Cb 0.08 -1.96 0.02 0.00 -1.53 0.00 0.00 34.83 31.44 2k5e s MET 9 CO 0.77 -1.16 0.79 0.95 -2.03 0.00 0.00 175.02 174.34 2k5e s THR 10 N -2.19 3.21 0.22 3.16 -4.23 -1.26 -0.96 115.64 113.60 2k5e s THR 10 Ca 0.69 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2k5e s THR 10 Cb -0.22 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.57 2k5e s THR 10 CO 0.38 -0.18 1.85 -0.26 -0.54 0.00 0.00 174.62 175.86 2k5e h PHE 11 N 0.05 0.89 -0.65 3.99 0.04 -1.48 -0.77 116.94 119.03 2k5e h PHE 11 Ca -0.44 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.38 2k5e h PHE 11 Cb 1.28 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 2k5e h PHE 11 CO 0.41 0.48 0.41 0.00 -0.60 0.00 0.00 178.31 179.01 2k5e h ALA 12 N 1.35 0.84 -0.59 2.45 0.00 -1.47 -1.32 119.26 120.53 2k5e h ALA 12 Ca 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2k5e h ALA 12 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2k5e h ALA 12 CO -0.14 0.17 0.21 1.96 0.00 0.00 0.00 179.25 181.46 2k5e h GLN 13 N 0.80 0.89 -0.40 0.00 4.20 -1.68 -2.70 115.11 116.23 2k5e h GLN 13 Ca 0.26 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2k5e h GLN 13 Cb -0.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2k5e h GLN 13 CO -0.09 0.78 0.26 0.00 -0.67 0.00 0.00 178.83 179.11 2k5e h ALA 14 N 1.07 0.51 -0.00 3.87 0.00 -0.69 0.11 119.26 124.13 2k5e h ALA 14 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k5e h ALA 14 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5e h ALA 14 CO -0.01 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.08 2k5e h LEU 15 N 0.53 0.00 -0.10 0.00 3.38 -1.17 -1.28 115.31 116.68 2k5e h LEU 15 Ca 0.15 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 2k5e h LEU 15 Cb -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k5e h LEU 15 CO -0.04 0.04 -0.99 1.56 0.09 0.00 0.00 178.44 179.09 2k5e h GLN 16 N 0.00 0.11 0.20 1.13 1.08 -1.03 -3.32 115.11 113.28 2k5e h GLN 16 Ca -0.00 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2k5e h GLN 16 Cb 0.07 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2k5e h GLN 16 CO 0.00 1.01 -0.10 1.15 -0.95 0.00 0.00 178.83 179.95 2k5e h THR 17 N 0.04 0.89 -2.99 -0.54 2.02 0.09 -3.44 112.91 108.97 2k5e h THR 17 Ca -0.05 -0.51 -0.24 0.00 0.77 0.00 0.00 66.41 66.39 2k5e h THR 17 Cb 1.70 1.19 -0.33 0.00 -1.74 0.00 0.00 68.15 68.97 2k5e h THR 17 CO 0.14 0.11 -0.56 -1.00 0.37 0.00 0.00 175.52 174.59 2k5e s HIS 18 N -5.10 -0.31 0.54 3.16 3.76 -0.65 -5.03 115.29 111.65 2k5e s HIS 18 Ca -0.15 0.79 0.25 0.00 -0.15 0.00 0.00 55.06 55.80 2k5e s HIS 18 Cb 0.03 -0.09 1.42 0.00 1.11 0.00 0.00 32.58 35.05 2k5e s HIS 18 CO 0.61 -0.29 2.01 -1.35 -0.85 0.00 0.00 174.74 174.87 2k5e h PRO 19 N 8.01 0.00 0.00 8.40 0.11 -1.84 -1.12 132.00 145.56 2k5e h PRO 19 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2k5e h PRO 19 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k5e h PRO 19 CO 0.21 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.78 2k5e h GLY 20 N 0.00 0.00 1.15 -0.55 0.00 -1.94 -2.81 103.07 98.93 2k5e h GLY 20 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.60 2k5e h GLY 20 CO -0.00 0.00 0.44 -2.08 0.00 0.00 0.00 176.54 174.90 2k5e h VAL 21 N 0.00 1.04 -0.34 4.60 2.07 -1.50 -2.43 116.25 119.69 2k5e h VAL 21 Ca 0.00 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2k5e h VAL 21 Cb 0.16 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 2k5e h VAL 21 CO 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.62 2k5e h ALA 22 N 1.63 0.19 -0.74 1.67 0.00 -1.71 0.81 119.26 121.11 2k5e h ALA 22 Ca 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2k5e h ALA 22 Cb 0.19 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k5e h ALA 22 CO -0.09 -0.48 0.43 0.78 0.00 0.00 0.00 179.25 179.89 2k5e h GLY 23 N -0.03 1.08 0.89 0.00 0.00 -1.65 -1.25 103.07 102.11 2k5e h GLY 23 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2k5e h GLY 23 CO -0.37 0.44 0.08 -2.08 0.00 0.00 0.00 176.54 174.62 2k5e h VAL 24 N 1.02 1.19 -0.21 4.60 2.07 -1.05 0.15 116.25 124.03 2k5e h VAL 24 Ca 0.27 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2k5e h VAL 24 Cb -0.02 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2k5e h VAL 24 CO -0.05 0.20 0.07 -0.07 0.02 0.00 0.00 177.57 177.74 2k5e h LEU 25 N 0.25 0.08 -0.65 2.57 3.38 -0.62 0.10 115.31 120.42 2k5e h LEU 25 Ca 0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2k5e h LEU 25 Cb 0.23 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k5e h LEU 25 CO -0.00 0.08 0.37 0.03 0.09 0.00 0.00 178.44 179.01 2k5e h ARG 26 N 0.17 0.69 -0.60 1.13 3.08 -1.13 0.48 114.38 118.20 2k5e h ARG 26 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2k5e h ARG 26 Cb 0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2k5e h ARG 26 CO -0.09 0.45 0.40 1.03 -1.07 0.00 0.00 179.97 180.69 2k5e h SER 27 N 0.71 0.70 -0.39 7.04 0.87 -0.01 -1.59 113.55 120.87 2k5e h SER 27 Ca 0.28 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2k5e h SER 27 Cb 0.13 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2k5e h SER 27 CO -0.16 0.51 0.00 -1.22 -0.53 0.00 0.00 176.83 175.43 2k5e n TYR 28 N -4.44 0.54 -1.43 2.24 4.02 0.29 -4.90 117.16 113.48 2k5e n TYR 28 Ca 0.06 -0.27 -0.13 0.00 -0.01 0.00 0.00 57.90 57.55 2k5e n TYR 28 Cb 0.05 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 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 0.64 -4.59 -0.42 7.72 5.15 -0.60 -4.87 115.26 118.29 2k5e n ASN 29 Ca 0.13 0.31 0.14 0.00 -0.60 0.00 0.00 54.58 54.56 2k5e n ASN 29 Cb 0.34 -3.29 0.48 0.00 -0.53 0.00 0.00 39.78 36.78 2k5e n ASN 29 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k5e n LEU 30 N -1.54 1.38 0.26 1.20 4.77 0.16 -4.31 117.00 118.91 2k5e n LEU 30 Ca -0.14 -0.44 0.18 0.00 -0.03 0.00 0.00 56.01 55.59 2k5e n LEU 30 Cb 0.45 -0.04 0.87 0.00 -2.33 0.00 0.00 43.42 42.38 2k5e n LEU 30 CO 0.20 0.24 1.15 1.23 -1.33 0.00 0.00 177.39 178.88 2k5e h GLY 31 N 4.87 0.00 1.23 -0.72 0.00 -1.79 -0.81 103.07 105.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2k5e h ILE 33 N 0.00 0.23 0.15 0.00 3.07 -1.50 -2.71 117.51 116.76 2k5e h ILE 33 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 2k5e h ILE 33 Cb 0.03 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.43 2k5e h ILE 33 CO 0.00 0.00 -0.07 1.23 -1.05 0.00 0.00 178.15 178.26 2k5e h GLY 34 N 0.00 -0.21 1.08 0.16 0.00 -1.83 -0.05 103.07 102.22 2k5e h GLY 34 Ca 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 2k5e h GLY 34 CO -0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 176.54 175.84 2k5e n MET 36 N -4.05 0.02 -3.05 0.00 0.00 -1.06 -4.92 117.12 104.06 2k5e n MET 36 Ca -0.07 0.11 -0.17 0.00 0.00 0.00 0.00 57.70 57.58 2k5e n MET 36 Cb 0.67 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.43 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 0.80 -0.17 0.26 3.17 0.00 -0.51 -4.90 105.19 103.84 2k5e n GLY 37 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.69 2.53 -0.28 4.61 0.00 -0.15 -4.03 120.51 119.49 2k5e n ALA 38 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 2k5e n ALA 38 Cb 0.57 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 19.13 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 0.35 0.89 -0.57 0.00 1.08 -1.91 -1.65 115.11 113.30 2k5e h GLN 39 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2k5e h GLN 39 Cb 0.24 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2k5e h GLN 39 CO 0.01 0.59 0.00 0.09 -0.95 0.00 0.00 178.83 178.57 2k5e n ASN 40 N -4.65 2.57 -4.58 1.46 3.02 -1.26 -1.31 115.26 110.52 2k5e n ASN 40 Ca 0.10 -2.21 -0.34 0.00 -0.03 0.00 0.00 54.58 52.10 2k5e n ASN 40 Cb 0.14 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.68 2.82 0.63 3.52 2.12 -0.62 -4.97 118.70 120.52 2k5e s GLU 41 Ca 0.25 -0.54 -0.18 0.00 0.36 0.00 0.00 54.97 54.86 2k5e s GLU 41 Cb 0.16 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 2k5e s GLU 41 CO 0.12 0.63 1.20 -1.12 -0.54 0.00 0.00 175.26 175.56 2k5e s SER 42 N -0.72 4.96 0.21 -1.70 0.01 -1.26 -2.12 113.70 113.07 2k5e s SER 42 Ca 0.11 2.36 -0.10 0.00 1.31 0.00 0.00 55.95 59.63 2k5e s SER 42 Cb -0.11 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.80 2k5e s SER 42 CO 0.02 -1.75 1.71 -0.07 0.41 0.00 0.00 173.24 173.56 2k5e h LEU 43 N 0.57 0.01 -0.56 2.44 3.38 -1.05 -1.08 115.31 119.03 2k5e h LEU 43 Ca -0.50 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2k5e h LEU 43 Cb 1.30 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 2k5e h LEU 43 CO 0.54 0.02 0.21 -0.08 0.09 0.00 0.00 178.44 179.21 2k5e h GLU 44 N 0.26 0.84 0.40 1.13 4.81 -1.84 0.50 114.58 120.69 2k5e h GLU 44 Ca 0.31 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2k5e h GLU 44 Cb 0.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k5e h GLU 44 CO -0.39 0.74 -0.29 1.96 -0.73 0.00 0.00 179.01 180.30 2k5e h GLN 45 N 0.77 -0.66 -0.63 1.92 4.20 -1.58 -0.83 115.11 118.30 2k5e h GLN 45 Ca 0.18 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2k5e h GLN 45 Cb 0.23 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2k5e h GLN 45 CO -0.01 -0.44 0.32 0.78 -0.67 0.00 0.00 178.83 178.81 2k5e h GLY 46 N -0.69 0.94 0.78 3.46 0.00 -1.20 -0.28 103.07 106.09 2k5e h GLY 46 Ca -0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2k5e h GLY 46 CO 0.01 0.41 -0.44 0.00 0.00 0.00 0.00 176.54 176.52 2k5e h ALA 47 N 1.47 -1.11 -0.50 3.60 0.00 -0.60 -0.92 119.26 121.20 2k5e h ALA 47 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k5e h ALA 47 Cb 0.06 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k5e h ALA 47 CO -0.03 -1.14 0.32 -0.91 0.00 0.00 0.00 179.25 177.49 2k5e h ASN 48 N -1.06 0.58 -0.55 0.00 2.35 -1.06 0.31 115.58 116.14 2k5e h ASN 48 Ca -0.08 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2k5e h ASN 48 Cb 0.86 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 2k5e h ASN 48 CO 0.07 0.43 0.36 0.00 -1.65 0.00 0.00 177.43 176.64 2k5e h ALA 49 N 1.67 1.77 -0.03 -0.83 0.00 -0.75 -0.65 119.26 120.44 2k5e h ALA 49 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k5e h ALA 49 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2k5e h ALA 49 CO -0.04 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.09 2k5e n HIS 50 N -4.47 0.01 -2.98 0.00 8.25 -0.33 -4.98 115.22 110.72 2k5e n HIS 50 Ca 0.07 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2k5e n HIS 50 Cb 0.17 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.33 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 1.29 0.02 3.26 -1.41 0.00 0.81 -5.05 105.19 104.11 2k5e n GLY 51 Ca 0.16 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.63 2.26 -0.37 0.99 1.43 0.31 -4.97 118.68 113.71 2k5e s LEU 52 Ca 0.16 -0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 2k5e s LEU 52 Cb -0.07 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2k5e s LEU 52 CO 0.43 0.07 1.65 0.21 0.23 0.00 0.00 176.35 178.94 2k5e s ASN 53 N -1.66 6.05 0.38 2.29 3.84 -1.26 -3.88 114.94 120.71 2k5e s ASN 53 Ca 0.05 1.10 0.07 0.00 0.21 0.00 0.00 52.86 54.29 2k5e s ASN 53 Cb -0.10 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.86 2k5e s ASN 53 CO 0.03 -1.62 1.99 1.62 -2.79 0.00 0.00 177.10 176.34 2k5e h VAL 54 N 6.68 1.05 -0.28 -5.21 3.04 -1.91 -2.78 116.25 116.83 2k5e h VAL 54 Ca -0.31 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 65.13 2k5e h VAL 54 Cb 1.14 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2k5e h VAL 54 CO 1.06 0.12 0.10 -0.33 -1.01 0.00 0.00 177.57 177.51 2k5e h GLU 55 N 0.68 0.43 -0.31 4.17 5.08 -1.99 0.34 114.58 122.98 2k5e h GLU 55 Ca 0.26 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2k5e h GLU 55 Cb 0.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k5e h GLU 55 CO -0.07 0.47 -0.05 0.22 -1.00 0.00 0.00 179.01 178.58 2k5e h ASP 56 N 0.30 0.46 -0.22 1.42 3.58 -1.93 -1.36 116.42 118.66 2k5e h ASP 56 Ca 0.09 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2k5e h ASP 56 Cb 0.21 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2k5e h ASP 56 CO -0.01 0.56 0.10 0.40 -2.88 0.00 0.00 179.24 177.42 2k5e h ILE 57 N 0.47 1.15 -0.42 2.25 2.04 -1.19 -2.73 117.51 119.08 2k5e h ILE 57 Ca 0.10 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2k5e h ILE 57 Cb 0.38 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2k5e h ILE 57 CO 0.02 0.15 0.28 -0.07 0.00 0.00 0.00 178.15 178.53 2k5e h LEU 58 N 0.21 0.25 0.25 1.44 3.38 -0.37 -1.24 115.31 119.24 2k5e h LEU 58 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k5e h LEU 58 Cb 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2k5e h LEU 58 CO -0.01 0.17 -0.28 -0.09 0.09 0.00 0.00 178.44 178.32 2k5e h ARG 59 N 0.29 -0.55 -0.63 1.13 2.43 -0.95 0.95 114.38 117.04 2k5e h ARG 59 Ca 0.18 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2k5e h ARG 59 Cb 0.36 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2k5e h ARG 59 CO -0.04 -0.37 0.13 0.22 -1.51 0.00 0.00 179.97 178.40 2k5e h ASP 60 N -0.58 0.98 0.17 -3.80 1.82 -1.33 -0.89 116.42 112.80 2k5e h ASP 60 Ca -0.00 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.38 2k5e h ASP 60 Cb 0.54 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2k5e h ASP 60 CO -0.08 0.97 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.37 2k5e h LEU 61 N 0.94 -0.19 -1.61 2.28 3.38 -1.12 -2.41 115.31 116.59 2k5e h LEU 61 Ca 0.20 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2k5e h LEU 61 Cb 0.39 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k5e h LEU 61 CO 0.01 -0.13 -0.19 0.78 0.09 0.00 0.00 178.44 179.00 2k5e h ASN 62 N -0.24 0.00 0.08 -0.43 2.35 -0.76 -1.58 115.58 115.01 2k5e h ASN 62 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2k5e h ASN 62 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2k5e h ASN 62 CO 0.04 0.19 -0.09 0.00 -1.65 0.00 0.00 177.43 175.92 2k5e h ALA 63 N 1.81 1.81 0.00 -0.83 0.00 -0.68 -0.49 119.26 120.87 2k5e h ALA 63 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k5e h ALA 63 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k5e h ALA 63 CO 0.03 0.15 -0.22 -0.07 0.00 0.00 0.00 179.25 179.13 2k5e h LEU 64 N 0.03 0.00 0.04 0.00 3.38 -0.88 0.21 115.31 118.09 2k5e h LEU 64 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2k5e h LEU 64 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5e h LEU 64 CO 0.01 0.22 -0.45 0.00 0.09 0.00 0.00 178.44 178.32 2k5e h ALA 65 N 1.78 0.02 0.45 1.53 0.00 -1.16 -3.40 119.26 118.48 2k5e h ALA 65 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 2k5e h ALA 65 Cb 0.61 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k5e h ALA 65 CO 0.03 0.23 -0.21 -0.07 0.00 0.00 0.00 179.25 179.23 2k5e h LEU 66 N -0.79 -0.51 0.00 0.00 3.38 -1.20 -3.46 115.31 112.73 2k5e h LEU 66 Ca -0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k5e h LEU 66 Cb 1.25 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2k5e h LEU 66 CO 0.02 -0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.85 2k5e n GLU 67 N -5.18 0.00 -1.67 1.13 1.02 0.73 -4.83 120.64 111.85 2k5e n GLU 67 Ca -0.08 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.60 2k5e n GLU 67 Cb 0.25 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.63 2k5e n GLU 67 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k5e n HIS 68 N 0.00 2.40 0.21 -0.32 1.44 -1.26 -4.87 115.22 112.82 2k5e n HIS 68 Ca 0.00 -0.17 0.10 0.00 -2.01 0.00 0.00 57.72 55.64 2k5e n HIS 68 Cb 0.00 -2.73 0.33 0.00 0.12 0.00 0.00 29.99 27.71 2k5e n HIS 68 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k5e h HIS 69 N 9.95 0.00 -3.51 -1.40 3.86 -1.99 -3.42 115.15 118.63 2k5e h HIS 69 Ca -0.49 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.20 2k5e h HIS 69 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2k5e h HIS 69 CO 0.92 0.21 0.48 -1.01 0.86 0.00 0.00 177.93 179.39 2k5e s HIS 70 N -3.40 3.58 -0.02 2.45 3.76 -1.26 -5.05 115.29 115.35 2k5e s HIS 70 Ca 0.03 1.57 -0.03 0.00 -0.15 0.00 0.00 55.06 56.47 2k5e s HIS 70 Cb 0.08 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.49 2k5e s HIS 70 CO 0.66 -0.66 0.09 -3.38 -0.85 0.00 0.00 174.74 170.59 2k5e s HIS 71 N -0.03 -0.04 -0.26 1.40 -3.43 -1.26 -5.05 115.29 106.63 2k5e s HIS 71 Ca 0.51 0.10 0.20 0.00 -0.80 0.00 0.00 55.06 55.06 2k5e s HIS 71 Cb -0.29 -0.01 0.09 0.00 -1.43 0.00 0.00 32.58 30.94 2k5e s HIS 71 CO 0.34 -0.10 1.24 0.45 -2.00 0.00 0.00 174.74 174.67 2k5e h HIS 72 N 5.56 0.00 -0.02 0.38 3.86 -1.99 -3.56 115.15 119.38 2k5e h HIS 72 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2k5e h HIS 72 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2k5e h HIS 72 CO 0.47 0.20 0.00 0.72 0.86 0.00 0.00 177.93 180.17