#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 1.67 0.29 1.12 -1.32 -1.26 -5.12 115.64 111.02 2k5e s THR 2 Ca 0.00 -0.70 -0.29 0.00 -1.21 0.00 0.00 61.69 59.49 2k5e s THR 2 Cb 0.00 -1.54 -0.10 0.00 -1.51 0.00 0.00 72.50 69.35 2k5e s THR 2 CO 0.00 0.47 1.12 -1.10 -2.21 0.00 0.00 174.62 172.91 2k5e s GLN 3 N 1.35 4.57 0.48 7.08 1.11 -1.26 -4.94 119.66 128.05 2k5e s GLN 3 Ca 0.03 1.84 0.13 0.00 0.01 0.00 0.00 55.36 57.37 2k5e s GLN 3 Cb -0.13 -3.13 1.10 0.00 -1.01 0.00 0.00 33.01 29.84 2k5e s GLN 3 CO -0.09 0.14 2.09 0.87 0.01 0.00 0.00 175.29 178.31 2k5e h LYS 4 N 3.68 0.15 -4.13 2.91 1.79 -1.98 -3.40 116.57 115.59 2k5e h LYS 4 Ca -0.47 -0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 57.51 2k5e h LYS 4 Cb 1.21 -0.03 -0.36 0.00 -1.58 0.00 0.00 32.23 31.47 2k5e h LYS 4 CO 0.66 0.14 -0.79 -0.06 -1.08 0.00 0.00 179.45 178.32 2k5e s PHE 5 N -5.11 1.12 0.13 -1.35 0.08 -1.26 -4.99 117.98 106.60 2k5e s PHE 5 Ca -0.06 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 2k5e s PHE 5 Cb 0.17 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 2k5e s PHE 5 CO 0.69 -0.35 0.05 -0.08 -0.10 0.00 0.00 175.22 175.44 2k5e s THR 6 N 1.36 0.11 0.41 0.64 -1.32 -1.26 -4.78 115.64 110.79 2k5e s THR 6 Ca -0.03 -1.91 0.27 0.00 -1.21 0.00 0.00 61.69 58.81 2k5e s THR 6 Cb -0.14 -2.04 0.30 0.00 -1.51 0.00 0.00 72.50 69.11 2k5e s THR 6 CO -0.03 -0.47 2.07 0.07 -2.21 0.00 0.00 174.62 174.05 2k5e h LYS 7 N 2.87 0.00 -0.43 7.08 2.10 -1.96 -2.99 116.57 123.23 2k5e h LYS 7 Ca -0.35 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.24 2k5e h LYS 7 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2k5e h LYS 7 CO 0.59 0.12 0.04 0.22 -2.00 0.00 0.00 179.45 178.42 2k5e h ASP 8 N 0.00 0.71 -4.18 7.07 3.58 -1.96 -2.98 116.42 118.66 2k5e h ASP 8 Ca -0.00 -0.28 -0.49 0.00 0.42 0.00 0.00 57.03 56.68 2k5e h ASP 8 Cb 0.34 -0.19 0.06 0.00 1.72 0.00 0.00 39.33 41.26 2k5e h ASP 8 CO 0.02 0.82 0.38 0.00 -2.88 0.00 0.00 179.24 177.57 2k5e s MET 9 N -5.11 3.39 0.62 0.28 0.23 -1.13 -4.73 119.30 112.85 2k5e s MET 9 Ca -0.13 1.22 -0.09 0.00 -1.03 0.00 0.00 55.69 55.67 2k5e s MET 9 Cb 0.10 -2.04 -0.01 0.00 -1.53 0.00 0.00 34.83 31.35 2k5e s MET 9 CO 0.79 -0.75 0.98 0.95 -2.03 0.00 0.00 175.02 174.96 2k5e s THR 10 N -2.39 4.09 0.23 3.16 -4.23 -1.26 -1.95 115.64 113.29 2k5e s THR 10 Ca 0.64 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.51 2k5e s THR 10 Cb -0.16 -3.64 0.19 0.00 1.34 0.00 0.00 72.50 70.23 2k5e s THR 10 CO 0.35 -0.76 1.80 -0.26 -0.54 0.00 0.00 174.62 175.20 2k5e h PHE 11 N -0.30 0.73 -0.34 3.99 -1.00 -1.18 -1.75 116.94 117.09 2k5e h PHE 11 Ca -0.45 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.40 2k5e h PHE 11 Cb 1.23 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 40.54 2k5e h PHE 11 CO 0.55 0.29 0.11 0.00 -1.61 0.00 0.00 178.31 177.65 2k5e h ALA 12 N 1.43 0.38 -0.39 2.45 0.00 -1.42 -0.65 119.26 121.05 2k5e h ALA 12 Ca 0.36 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.34 2k5e h ALA 12 Cb 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2k5e h ALA 12 CO -0.25 -0.28 0.20 1.96 0.00 0.00 0.00 179.25 180.87 2k5e h GLN 13 N 0.25 0.39 -0.15 0.00 4.20 -1.67 -0.25 115.11 117.88 2k5e h GLN 13 Ca 0.15 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2k5e h GLN 13 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2k5e h GLN 13 CO -0.16 0.26 -0.00 0.00 -0.67 0.00 0.00 178.83 178.26 2k5e h ALA 14 N 1.21 0.13 -0.50 3.87 0.00 -0.94 0.96 119.26 123.99 2k5e h ALA 14 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k5e h ALA 14 Cb 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k5e h ALA 14 CO -0.12 -0.45 0.23 -0.07 0.00 0.00 0.00 179.25 178.84 2k5e h LEU 15 N 0.05 0.63 -0.47 0.00 3.38 -0.84 -1.65 115.31 116.41 2k5e h LEU 15 Ca 0.07 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k5e h LEU 15 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2k5e h LEU 15 CO -0.12 0.55 -0.41 1.56 0.09 0.00 0.00 178.44 180.11 2k5e h GLN 16 N 0.70 0.00 0.10 1.13 1.08 -0.64 -3.32 115.11 114.16 2k5e h GLN 16 Ca 0.17 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2k5e h GLN 16 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2k5e h GLN 16 CO -0.02 0.41 -0.05 1.15 -0.95 0.00 0.00 178.83 179.37 2k5e h THR 17 N 0.00 1.07 -3.14 -0.54 2.02 0.02 -3.46 112.91 108.88 2k5e h THR 17 Ca -0.00 -1.27 -0.19 0.00 0.77 0.00 0.00 66.41 65.71 2k5e h THR 17 Cb 1.13 1.81 -0.28 0.00 -1.74 0.00 0.00 68.15 69.06 2k5e h THR 17 CO 0.05 0.28 -0.49 -1.00 0.37 0.00 0.00 175.52 174.73 2k5e s HIS 18 N -3.45 -0.27 0.39 3.16 3.76 -0.70 -5.06 115.29 113.12 2k5e s HIS 18 Ca -0.14 0.65 0.06 0.00 -0.15 0.00 0.00 55.06 55.49 2k5e s HIS 18 Cb 0.00 0.04 0.80 0.00 1.11 0.00 0.00 32.58 34.53 2k5e s HIS 18 CO 0.54 -0.17 2.02 -1.35 -0.85 0.00 0.00 174.74 174.93 2k5e h PRO 19 N 6.64 0.55 -0.11 8.40 0.11 -1.85 -2.83 132.00 142.90 2k5e h PRO 19 Ca -0.35 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.75 2k5e h PRO 19 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k5e h PRO 19 CO 0.38 0.40 0.23 0.78 -0.21 0.00 0.00 178.00 179.59 2k5e h GLY 20 N 0.63 0.00 0.60 -0.55 0.00 -1.94 -1.96 103.07 99.85 2k5e h GLY 20 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.60 2k5e h GLY 20 CO -0.02 0.00 0.57 -2.08 0.00 0.00 0.00 176.54 175.01 2k5e h VAL 21 N 0.00 0.88 -0.89 4.60 2.07 -1.81 -1.52 116.25 119.57 2k5e h VAL 21 Ca 0.05 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2k5e h VAL 21 Cb 0.52 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2k5e h VAL 21 CO -0.00 0.14 0.55 0.00 0.02 0.00 0.00 177.57 178.27 2k5e h ALA 22 N 1.59 1.25 -0.37 1.67 0.00 -1.60 -0.04 119.26 121.76 2k5e h ALA 22 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 2k5e h ALA 22 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k5e h ALA 22 CO -0.20 0.25 0.09 0.78 0.00 0.00 0.00 179.25 180.18 2k5e h GLY 23 N 0.96 0.65 0.96 0.00 0.00 -1.47 -1.59 103.07 102.58 2k5e h GLY 23 Ca 0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k5e h GLY 23 CO -0.20 0.38 0.17 -2.08 0.00 0.00 0.00 176.54 174.81 2k5e h VAL 24 N 0.46 1.13 0.15 4.60 2.07 -1.22 0.20 116.25 123.63 2k5e h VAL 24 Ca 0.12 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2k5e h VAL 24 Cb 0.31 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2k5e h VAL 24 CO 0.00 0.13 -0.18 -0.07 0.02 0.00 0.00 177.57 177.47 2k5e h LEU 25 N 0.38 -0.48 -1.10 2.57 3.38 -0.96 -1.31 115.31 117.79 2k5e h LEU 25 Ca 0.11 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2k5e h LEU 25 Cb 0.05 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2k5e h LEU 25 CO -0.02 -0.26 0.61 0.03 0.09 0.00 0.00 178.44 178.89 2k5e h ARG 26 N -0.37 1.05 -0.05 1.13 3.08 -1.20 0.25 114.38 118.28 2k5e h ARG 26 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2k5e h ARG 26 Cb 0.36 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2k5e h ARG 26 CO -0.06 0.69 -0.03 1.03 -1.07 0.00 0.00 179.97 180.53 2k5e h SER 27 N 1.08 0.06 -0.80 7.04 0.87 -0.38 -2.80 113.55 118.63 2k5e h SER 27 Ca 0.40 -0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.45 2k5e h SER 27 Cb 0.19 -0.01 -0.28 0.00 -0.44 0.00 0.00 62.40 61.85 2k5e h SER 27 CO -0.15 0.11 0.23 -1.22 -0.53 0.00 0.00 176.83 175.27 2k5e n TYR 28 N -4.46 2.62 -0.98 2.24 4.01 -0.39 -4.92 117.16 115.27 2k5e n TYR 28 Ca -0.02 -2.34 0.00 0.00 -0.16 0.00 0.00 57.90 55.38 2k5e n TYR 28 Cb 0.14 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 2k5e n TYR 28 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k5e n ASN 29 N -0.96 -4.81 -1.65 7.72 2.85 -1.06 -4.83 115.26 112.52 2k5e n ASN 29 Ca 0.51 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.95 2k5e n ASN 29 Cb 0.98 -2.55 0.23 0.00 1.24 0.00 0.00 39.78 39.68 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 0.00 4.92 0.00 1.20 4.77 0.76 -4.29 117.00 124.36 2k5e n LEU 30 Ca 0.00 -2.54 0.14 0.00 -0.03 0.00 0.00 56.01 53.57 2k5e n LEU 30 Cb 0.33 -0.68 0.72 0.00 -2.33 0.00 0.00 43.42 41.46 2k5e n LEU 30 CO 0.00 0.66 0.98 0.61 -1.33 0.00 0.00 177.39 178.31 2k5e n GLY 31 N 0.03 -1.18 1.59 -0.72 0.00 -1.24 -3.01 105.19 100.66 2k5e n GLY 31 Ca 0.29 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2k5e n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5e h ILE 33 N 4.06 0.95 -0.22 0.00 3.07 -1.88 -1.19 117.51 122.30 2k5e h ILE 33 Ca 0.00 -0.22 -0.09 0.00 1.55 0.00 0.00 64.86 66.11 2k5e h ILE 33 Cb 1.48 0.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.28 2k5e h ILE 33 CO 0.24 0.11 -0.24 1.23 -1.05 0.00 0.00 178.15 178.45 2k5e h GLY 34 N 0.63 0.44 1.74 0.16 0.00 -1.88 0.11 103.07 104.27 2k5e h GLY 34 Ca 0.32 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 2k5e h GLY 34 CO -0.11 0.32 -0.99 0.00 0.00 0.00 0.00 176.54 175.75 2k5e n MET 36 N -3.60 1.88 -2.04 0.00 0.00 -0.75 -4.93 117.12 107.68 2k5e n MET 36 Ca -0.05 -1.34 -0.16 0.00 0.00 0.00 0.00 57.70 56.15 2k5e n MET 36 Cb 0.88 -1.38 -0.03 0.00 0.00 0.00 0.00 33.22 32.69 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 1.18 0.31 0.00 3.17 0.00 -0.84 -4.88 105.19 104.12 2k5e n GLY 37 Ca 0.16 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.82 2.43 -0.18 4.61 0.00 0.31 -3.70 120.51 123.16 2k5e n ALA 38 Ca -0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2k5e n ALA 38 Cb 0.61 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 0.49 -0.69 0.00 1.08 -1.90 -1.34 115.11 112.75 2k5e h GLN 39 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2k5e h GLN 39 Cb 0.00 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2k5e h GLN 39 CO 0.00 0.33 0.00 0.09 -0.95 0.00 0.00 178.83 178.30 2k5e n ASN 40 N -4.89 3.60 -4.51 1.46 3.02 -1.24 -1.28 115.26 111.41 2k5e n ASN 40 Ca 0.06 -2.46 -0.32 0.00 -0.03 0.00 0.00 54.58 51.83 2k5e n ASN 40 Cb 0.17 -0.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.94 2.32 0.54 3.52 2.12 -0.50 -4.96 118.70 119.80 2k5e s GLU 41 Ca 0.32 -0.84 -0.20 0.00 0.36 0.00 0.00 54.97 54.62 2k5e s GLU 41 Cb 0.23 -2.34 -0.06 0.00 0.26 0.00 0.00 34.13 32.23 2k5e s GLU 41 CO 0.12 0.58 1.13 -1.12 -0.54 0.00 0.00 175.26 175.42 2k5e s SER 42 N -1.32 5.75 0.24 -1.70 0.01 -1.26 -1.14 113.70 114.28 2k5e s SER 42 Ca 0.15 2.18 -0.04 0.00 1.31 0.00 0.00 55.95 59.55 2k5e s SER 42 Cb -0.11 -2.58 0.43 0.00 0.21 0.00 0.00 66.02 63.97 2k5e s SER 42 CO 0.05 -1.20 1.76 -0.07 0.41 0.00 0.00 173.24 174.19 2k5e h LEU 43 N 1.24 0.42 -0.08 2.44 3.38 -1.23 -2.33 115.31 119.15 2k5e h LEU 43 Ca -0.50 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2k5e h LEU 43 Cb 1.26 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2k5e h LEU 43 CO 0.57 0.20 0.03 -0.08 0.09 0.00 0.00 178.44 179.25 2k5e h GLU 44 N 0.56 0.13 -1.00 1.13 4.81 -1.87 0.28 114.58 118.61 2k5e h GLU 44 Ca 0.40 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.67 2k5e h GLU 44 Cb 0.53 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 2k5e h GLU 44 CO -0.34 0.28 0.65 1.96 -0.73 0.00 0.00 179.01 180.83 2k5e h GLN 45 N -0.05 1.14 -0.31 1.92 4.20 -1.75 -0.41 115.11 119.85 2k5e h GLN 45 Ca 0.03 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2k5e h GLN 45 Cb 0.21 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2k5e h GLN 45 CO -0.00 0.75 -0.48 0.78 -0.67 0.00 0.00 178.83 179.21 2k5e h GLY 46 N 1.17 0.96 0.64 3.46 0.00 -1.33 -2.78 103.07 105.19 2k5e h GLY 46 Ca 0.43 -1.07 0.01 0.00 0.00 0.00 0.00 47.33 46.70 2k5e h GLY 46 CO -0.18 0.97 -0.28 0.00 0.00 0.00 0.00 176.54 177.05 2k5e h ALA 47 N 0.70 -0.57 -0.14 3.60 0.00 0.06 -2.37 119.26 120.54 2k5e h ALA 47 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k5e h ALA 47 Cb 1.09 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2k5e h ALA 47 CO 0.11 -0.86 -0.03 -0.91 0.00 0.00 0.00 179.25 177.56 2k5e h ASN 48 N -0.57 0.18 0.13 0.00 2.35 -1.21 0.69 115.58 117.15 2k5e h ASN 48 Ca -0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2k5e h ASN 48 Cb 0.54 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2k5e h ASN 48 CO -0.08 0.25 -0.08 0.00 -1.65 0.00 0.00 177.43 175.87 2k5e h ALA 49 N 1.78 1.62 -0.45 -0.83 0.00 -1.15 -1.16 119.26 119.05 2k5e h ALA 49 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k5e h ALA 49 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k5e h ALA 49 CO 0.01 0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.07 2k5e n HIS 50 N -4.07 1.20 -3.55 0.00 8.25 -0.28 -4.97 115.22 111.79 2k5e n HIS 50 Ca -0.03 -0.69 -0.23 0.00 -0.26 0.00 0.00 57.72 56.50 2k5e n HIS 50 Cb 0.16 -0.26 0.08 0.00 1.12 0.00 0.00 29.99 31.08 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 0.40 -0.52 3.87 -1.41 0.00 -0.44 -5.01 105.19 102.08 2k5e n GLY 51 Ca 0.22 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 -7.16 3.46 -0.49 0.99 1.43 0.08 -4.97 118.68 112.01 2k5e s LEU 52 Ca 0.56 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 2k5e s LEU 52 Cb -0.25 -2.11 0.10 0.00 0.03 0.00 0.00 46.19 43.97 2k5e s LEU 52 CO 0.70 -0.56 0.41 0.21 0.23 0.00 0.00 176.35 177.33 2k5e s ASN 53 N -4.09 6.02 0.42 2.29 2.47 -1.26 -4.31 114.94 116.47 2k5e s ASN 53 Ca 0.46 -1.63 0.13 0.00 0.42 0.00 0.00 52.86 52.24 2k5e s ASN 53 Cb -0.04 -2.14 0.98 0.00 -1.45 0.00 0.00 41.25 38.61 2k5e s ASN 53 CO 0.27 -0.72 1.97 1.62 -3.72 0.00 0.00 177.10 176.52 2k5e h VAL 54 N 5.92 0.90 -0.80 -5.21 3.04 -1.93 -2.10 116.25 116.07 2k5e h VAL 54 Ca -0.27 -0.16 0.01 0.00 -1.01 0.00 0.00 66.70 65.27 2k5e h VAL 54 Cb 1.10 0.40 -0.04 0.00 -2.01 0.00 0.00 31.29 30.73 2k5e h VAL 54 CO 0.92 0.09 0.53 -0.33 -1.01 0.00 0.00 177.57 177.77 2k5e h GLU 55 N 0.47 1.06 -0.10 4.17 4.39 -2.00 -0.62 114.58 121.94 2k5e h GLU 55 Ca 0.29 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.72 2k5e h GLU 55 Cb 0.53 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2k5e h GLU 55 CO -0.09 0.70 -0.73 0.22 -1.16 0.00 0.00 179.01 177.95 2k5e h ASP 56 N 1.09 0.82 -0.32 1.42 1.82 -1.82 -2.83 116.42 116.59 2k5e h ASP 56 Ca 0.29 -0.66 0.05 0.00 -0.39 0.00 0.00 57.03 56.32 2k5e h ASP 56 Cb -0.13 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 39.59 2k5e h ASP 56 CO -0.06 1.36 0.04 0.40 -1.61 0.00 0.00 179.24 179.37 2k5e h ILE 57 N 0.35 0.81 -0.83 2.25 2.04 -1.18 -1.55 117.51 119.41 2k5e h ILE 57 Ca -0.06 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2k5e h ILE 57 Cb 1.38 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 2k5e h ILE 57 CO 0.15 0.03 0.54 -0.07 0.00 0.00 0.00 178.15 178.80 2k5e h LEU 58 N 0.15 0.89 -0.08 1.44 3.38 -1.18 -0.08 115.31 119.83 2k5e h LEU 58 Ca 0.15 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2k5e h LEU 58 Cb 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2k5e h LEU 58 CO -0.22 0.62 -0.12 -0.09 0.09 0.00 0.00 178.44 178.71 2k5e h ARG 59 N 1.04 -0.16 -0.07 1.13 2.43 -1.05 -1.65 114.38 116.03 2k5e h ARG 59 Ca 0.33 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.36 2k5e h ARG 59 Cb 0.01 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2k5e h ARG 59 CO -0.09 -0.11 -0.59 0.22 -1.51 0.00 0.00 179.97 177.89 2k5e h ASP 60 N -0.17 0.28 0.17 -3.80 1.82 -0.85 -2.86 116.42 111.01 2k5e h ASP 60 Ca 0.07 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2k5e h ASP 60 Cb 0.27 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2k5e h ASP 60 CO -0.18 0.81 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.11 2k5e h LEU 61 N 0.19 -0.19 -1.79 2.28 3.38 -0.83 -3.06 115.31 115.29 2k5e h LEU 61 Ca -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2k5e h LEU 61 Cb 1.09 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k5e h LEU 61 CO 0.09 0.14 -0.14 0.78 0.09 0.00 0.00 178.44 179.40 2k5e h ASN 62 N -0.54 0.00 0.01 -0.43 2.35 -1.37 -1.34 115.58 114.26 2k5e h ASN 62 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2k5e h ASN 62 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2k5e h ASN 62 CO 0.04 0.14 -0.00 0.00 -1.65 0.00 0.00 177.43 175.96 2k5e h ALA 63 N 1.86 1.51 -0.06 -0.83 0.00 -1.40 -1.07 119.26 119.27 2k5e h ALA 63 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k5e h ALA 63 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k5e h ALA 63 CO 0.02 0.01 -0.20 -0.07 0.00 0.00 0.00 179.25 179.01 2k5e h LEU 64 N 0.00 0.08 0.04 0.00 3.38 -1.23 0.20 115.31 117.79 2k5e h LEU 64 Ca -0.00 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2k5e h LEU 64 Cb 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k5e h LEU 64 CO 0.00 0.29 -1.09 0.00 0.09 0.00 0.00 178.44 177.73 2k5e h ALA 65 N 1.72 0.19 -0.25 1.53 0.00 -1.36 -3.39 119.26 117.70 2k5e h ALA 65 Ca 0.02 -1.04 -0.20 0.00 0.00 0.00 0.00 54.91 53.69 2k5e h ALA 65 Cb 0.40 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k5e h ALA 65 CO 0.03 0.63 -0.61 -0.07 0.00 0.00 0.00 179.25 179.22 2k5e h LEU 66 N -0.73 0.97 0.00 0.00 3.38 -1.39 -3.47 115.31 114.07 2k5e h LEU 66 Ca -0.27 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2k5e h LEU 66 Cb 1.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k5e h LEU 66 CO -0.07 1.36 0.00 -0.62 0.09 0.00 0.00 178.44 179.20 2k5e n GLU 67 N -4.00 0.00 -1.91 1.13 1.02 0.71 -4.90 120.64 112.69 2k5e n GLU 67 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2k5e n GLU 67 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 -0.10 -0.56 -0.32 1.44 -1.26 -4.62 115.22 109.80 2k5e n HIS 68 Ca 0.00 0.06 -0.23 0.00 -2.01 0.00 0.00 57.72 55.54 2k5e n HIS 68 Cb 0.00 -0.96 -0.04 0.00 0.12 0.00 0.00 29.99 29.11 2k5e n HIS 68 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2k5e n HIS 69 N 1.91 0.55 -0.16 -1.40 1.44 -1.26 -4.74 115.22 111.56 2k5e n HIS 69 Ca 0.00 0.36 -0.02 0.00 -2.01 0.00 0.00 57.72 56.05 2k5e n HIS 69 Cb 0.00 -0.78 0.01 0.00 0.12 0.00 0.00 29.99 29.34 2k5e n HIS 69 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k5e n HIS 70 N 1.73 0.20 -2.87 -1.40 -0.00 -1.26 -4.80 115.22 106.82 2k5e n HIS 70 Ca 0.13 -0.98 -0.43 0.00 0.46 0.00 0.00 57.72 56.90 2k5e n HIS 70 Cb -0.02 -0.49 -0.03 0.00 -0.12 0.00 0.00 29.99 29.33 2k5e n HIS 70 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5e s HIS 71 N -0.23 2.85 -0.34 1.57 3.76 -1.26 -4.99 115.29 116.65 2k5e s HIS 71 Ca 0.04 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.00 2k5e s HIS 71 Cb 0.03 -4.31 0.06 0.00 1.11 0.00 0.00 32.58 29.47 2k5e s HIS 71 CO 0.00 -1.60 0.08 -1.58 -0.85 0.00 0.00 174.74 170.79 2k5e s HIS 72 N 3.54 3.33 -2.00 1.40 5.04 -1.26 -5.28 115.29 120.06 2k5e s HIS 72 Ca 0.28 -1.86 0.32 0.00 -1.54 0.00 0.00 55.06 52.25 2k5e s HIS 72 Cb -0.11 -2.42 1.89 0.00 0.04 0.00 0.00 32.58 31.98 2k5e s HIS 72 CO 0.01 -0.82 2.21 -2.39 -2.34 0.00 0.00 174.74 171.41