#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 3.04 0.73 1.12 2.01 -1.26 -4.96 115.64 116.32 2k5e s THR 2 Ca 0.00 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k5e s THR 2 Cb 0.00 -3.07 0.13 0.00 0.01 0.00 0.00 72.50 69.57 2k5e s THR 2 CO 0.00 -0.06 1.01 -1.10 -0.69 0.00 0.00 174.62 173.78 2k5e s GLN 3 N 7.19 1.62 -0.00 4.92 -0.21 -1.26 -5.05 119.66 126.88 2k5e s GLN 3 Ca 0.97 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 55.29 2k5e s GLN 3 Cb -0.25 -2.31 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 2k5e s GLN 3 CO 0.31 -1.50 0.10 1.63 -2.12 0.00 0.00 175.29 173.71 2k5e n LYS 4 N -2.88 2.29 -4.29 2.91 4.76 -1.26 -4.99 118.16 114.70 2k5e n LYS 4 Ca 0.15 -0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 2k5e n LYS 4 Cb 0.61 -0.92 -0.17 0.00 -1.84 0.00 0.00 35.03 32.71 2k5e n LYS 4 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2k5e s PHE 5 N -1.90 1.17 0.07 2.13 0.40 -1.26 -5.02 117.98 113.57 2k5e s PHE 5 Ca -0.00 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2k5e s PHE 5 Cb 0.02 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 2k5e s PHE 5 CO 0.14 -0.29 -0.07 -0.08 0.70 0.00 0.00 175.22 175.62 2k5e s THR 6 N 0.98 0.62 0.50 0.64 -1.32 -1.26 -4.83 115.64 110.97 2k5e s THR 6 Ca -0.09 -1.44 0.41 0.00 -1.21 0.00 0.00 61.69 59.35 2k5e s THR 6 Cb -0.15 -1.07 0.41 0.00 -1.51 0.00 0.00 72.50 70.19 2k5e s THR 6 CO 0.00 -0.58 2.25 0.07 -2.21 0.00 0.00 174.62 174.15 2k5e h LYS 7 N 3.85 0.00 -0.20 7.08 2.10 -1.97 -2.24 116.57 125.19 2k5e h LYS 7 Ca -0.36 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.13 2k5e h LYS 7 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2k5e h LYS 7 CO 0.51 0.00 -0.56 0.22 -2.00 0.00 0.00 179.45 177.62 2k5e h ASP 8 N 0.00 0.68 -4.21 7.07 3.58 -1.96 -3.04 116.42 118.55 2k5e h ASP 8 Ca 0.00 -0.37 -0.51 0.00 0.42 0.00 0.00 57.03 56.57 2k5e h ASP 8 Cb 0.04 -0.20 0.10 0.00 1.72 0.00 0.00 39.33 40.99 2k5e h ASP 8 CO 0.00 1.10 0.37 0.00 -2.88 0.00 0.00 179.24 177.83 2k5e s MET 9 N -4.00 2.89 0.54 0.28 0.23 -0.84 -4.69 119.30 113.70 2k5e s MET 9 Ca -0.08 1.32 -0.09 0.00 -1.03 0.00 0.00 55.69 55.82 2k5e s MET 9 Cb 0.11 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.40 2k5e s MET 9 CO 0.85 -1.17 0.91 0.95 -2.03 0.00 0.00 175.02 174.53 2k5e s THR 10 N -2.42 4.79 0.27 3.16 -4.23 -1.26 -1.29 115.64 114.66 2k5e s THR 10 Ca 0.66 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2k5e s THR 10 Cb -0.19 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.06 2k5e s THR 10 CO 0.42 -0.95 1.82 -0.26 -0.54 0.00 0.00 174.62 175.11 2k5e h PHE 11 N 0.12 1.04 -0.35 3.99 -1.00 -1.31 -1.47 116.94 117.95 2k5e h PHE 11 Ca -0.46 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.38 2k5e h PHE 11 Cb 1.20 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 40.40 2k5e h PHE 11 CO 0.62 0.40 0.18 0.00 -1.61 0.00 0.00 178.31 177.91 2k5e h ALA 12 N 1.52 0.43 -0.45 2.45 0.00 -1.63 -1.64 119.26 119.93 2k5e h ALA 12 Ca 0.47 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2k5e h ALA 12 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k5e h ALA 12 CO -0.27 -0.19 0.26 1.96 0.00 0.00 0.00 179.25 181.02 2k5e h GLN 13 N 0.37 0.62 -0.06 0.00 4.20 -1.62 -2.21 115.11 116.41 2k5e h GLN 13 Ca 0.15 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2k5e h GLN 13 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2k5e h GLN 13 CO -0.10 0.47 -0.07 0.00 -0.67 0.00 0.00 178.83 178.46 2k5e h ALA 14 N 1.11 -0.02 -0.74 3.87 0.00 -1.07 0.14 119.26 122.54 2k5e h ALA 14 Ca 0.16 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2k5e h ALA 14 Cb 0.02 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2k5e h ALA 14 CO -0.03 -0.55 0.49 -0.07 0.00 0.00 0.00 179.25 179.09 2k5e h LEU 15 N -0.10 0.61 0.00 0.00 3.38 -1.18 -1.63 115.31 116.39 2k5e h LEU 15 Ca 0.05 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2k5e h LEU 15 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2k5e h LEU 15 CO -0.12 0.37 -0.50 1.56 0.09 0.00 0.00 178.44 179.85 2k5e h GLN 16 N 0.68 0.00 -0.13 1.13 1.08 -0.82 -3.17 115.11 113.88 2k5e h GLN 16 Ca 0.34 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.46 2k5e h GLN 16 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2k5e h GLN 16 CO -0.12 0.49 -0.23 1.15 -0.95 0.00 0.00 178.83 179.18 2k5e h THR 17 N 0.00 1.37 -2.75 -0.54 2.02 -0.06 -3.44 112.91 109.51 2k5e h THR 17 Ca -0.01 -1.49 -0.21 0.00 0.77 0.00 0.00 66.41 65.48 2k5e h THR 17 Cb 1.38 2.04 -0.32 0.00 -1.74 0.00 0.00 68.15 69.50 2k5e h THR 17 CO 0.06 0.44 -0.52 -1.00 0.37 0.00 0.00 175.52 174.87 2k5e s HIS 18 N -4.04 -0.47 0.62 3.16 3.76 -0.83 -5.03 115.29 112.45 2k5e s HIS 18 Ca -0.14 0.95 0.31 0.00 -0.15 0.00 0.00 55.06 56.02 2k5e s HIS 18 Cb 0.05 -0.03 1.69 0.00 1.11 0.00 0.00 32.58 35.39 2k5e s HIS 18 CO 0.77 -0.41 2.04 -1.35 -0.85 0.00 0.00 174.74 174.94 2k5e h PRO 19 N 8.27 0.00 0.00 8.40 0.11 -1.82 -0.94 132.00 146.02 2k5e h PRO 19 Ca -0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 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 0.15 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 178.72 2k5e h GLY 20 N 0.00 0.00 1.56 -0.55 0.00 -1.94 -2.21 103.07 99.93 2k5e h GLY 20 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.47 2k5e h GLY 20 CO -0.00 0.00 0.18 -2.08 0.00 0.00 0.00 176.54 174.63 2k5e h VAL 21 N 0.00 0.92 -0.39 4.60 2.07 -1.47 -2.41 116.25 119.57 2k5e h VAL 21 Ca -0.00 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2k5e h VAL 21 Cb 0.13 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2k5e h VAL 21 CO 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 2k5e h ALA 22 N 1.87 0.34 -0.58 1.67 0.00 -1.61 0.72 119.26 121.66 2k5e h ALA 22 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2k5e h ALA 22 Cb 0.35 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2k5e h ALA 22 CO -0.01 -0.41 0.07 0.78 0.00 0.00 0.00 179.25 179.68 2k5e h GLY 23 N 0.08 1.06 0.92 0.00 0.00 -1.64 -2.73 103.07 100.76 2k5e h GLY 23 Ca 0.19 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.80 2k5e h GLY 23 CO -0.34 0.67 0.01 -2.08 0.00 0.00 0.00 176.54 174.81 2k5e h VAL 24 N 0.88 0.97 -0.03 4.60 2.07 -1.19 0.34 116.25 123.90 2k5e h VAL 24 Ca 0.17 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2k5e h VAL 24 Cb 0.46 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2k5e h VAL 24 CO 0.02 0.01 -0.13 -0.07 0.02 0.00 0.00 177.57 177.42 2k5e h LEU 25 N 0.04 -0.37 -1.27 2.57 3.38 -0.87 -1.20 115.31 117.59 2k5e h LEU 25 Ca 0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2k5e h LEU 25 Cb 0.03 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 25 CO -0.05 -0.18 0.51 0.03 0.09 0.00 0.00 178.44 178.85 2k5e h ARG 26 N -0.20 0.93 -0.02 1.13 3.08 -1.34 0.44 114.38 118.40 2k5e h ARG 26 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2k5e h ARG 26 Cb 0.27 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2k5e h ARG 26 CO -0.15 0.61 -0.08 1.03 -1.07 0.00 0.00 179.97 180.32 2k5e h SER 27 N 0.96 0.02 -0.69 7.04 0.87 -0.14 -2.41 113.55 119.20 2k5e h SER 27 Ca 0.31 -0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.51 2k5e h SER 27 Cb 0.03 -0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 61.78 2k5e h SER 27 CO -0.09 0.10 0.30 -1.22 -0.53 0.00 0.00 176.83 175.40 2k5e n TYR 28 N -4.43 2.13 -0.90 2.24 4.01 -0.34 -4.93 117.16 114.94 2k5e n TYR 28 Ca -0.03 -1.72 0.00 0.00 -0.16 0.00 0.00 57.90 55.99 2k5e n TYR 28 Cb 0.17 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 -1.11 -3.32 -0.90 7.72 4.05 -0.91 -4.82 115.26 115.97 2k5e n ASN 29 Ca 0.47 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.57 2k5e n ASN 29 Cb 1.37 -2.13 0.20 0.00 1.23 0.00 0.00 39.78 40.46 2k5e n ASN 29 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2k5e n LEU 30 N 0.00 2.60 0.13 1.20 4.77 0.14 -4.17 117.00 121.66 2k5e n LEU 30 Ca 0.00 -1.30 0.12 0.00 -0.03 0.00 0.00 56.01 54.79 2k5e n LEU 30 Cb 0.21 -0.35 0.49 0.00 -2.33 0.00 0.00 43.42 41.44 2k5e n LEU 30 CO 0.00 0.57 0.85 0.61 -1.33 0.00 0.00 177.39 178.09 2k5e n GLY 31 N 1.07 -1.27 1.00 -0.72 0.00 -1.18 -2.62 105.19 101.47 2k5e n GLY 31 Ca 0.15 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 2.94 0.89 0.00 0.00 3.07 -1.83 0.27 117.51 122.85 2k5e h ILE 33 Ca 0.00 -0.20 -0.03 0.00 1.55 0.00 0.00 64.86 66.18 2k5e h ILE 33 Cb 0.78 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2k5e h ILE 33 CO 0.04 0.11 -0.16 1.23 -1.05 0.00 0.00 178.15 178.32 2k5e h GLY 34 N 0.58 0.00 0.01 0.16 0.00 -1.87 0.41 103.07 102.36 2k5e h GLY 34 Ca 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.54 2k5e h GLY 34 CO -0.13 0.00 -0.77 0.00 0.00 0.00 0.00 176.54 175.65 2k5e h MET 36 N -0.99 0.00 -1.68 0.00 -0.00 -1.31 -3.47 114.93 107.48 2k5e h MET 36 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2k5e h MET 36 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2k5e h MET 36 CO -0.12 0.07 0.00 0.41 -0.00 0.00 0.00 176.91 177.27 2k5e n GLY 37 N 0.05 0.49 0.01 -3.00 0.00 -0.17 -5.05 105.19 97.52 2k5e n GLY 37 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.68 1.67 -0.33 4.61 0.00 -0.04 -4.78 120.51 120.96 2k5e n ALA 38 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.54 2k5e n ALA 38 Cb 0.28 -0.02 0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 1.08 -0.56 0.00 1.08 -1.96 -1.51 115.11 113.24 2k5e h GLN 39 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2k5e h GLN 39 Cb 0.70 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2k5e h GLN 39 CO 0.00 0.71 0.00 0.09 -0.95 0.00 0.00 178.83 178.68 2k5e n ASN 40 N -4.53 3.07 -4.74 1.46 3.02 -1.26 -1.81 115.26 110.47 2k5e n ASN 40 Ca 0.11 -2.19 -0.30 0.00 -0.03 0.00 0.00 54.58 52.17 2k5e n ASN 40 Cb 0.10 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.60 2.73 0.51 3.52 2.12 -0.57 -4.94 118.70 120.48 2k5e s GLU 41 Ca 0.34 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.70 2k5e s GLU 41 Cb 0.20 -2.64 -0.07 0.00 0.26 0.00 0.00 34.13 31.88 2k5e s GLU 41 CO 0.18 0.55 1.06 -1.12 -0.54 0.00 0.00 175.26 175.40 2k5e s SER 42 N -2.40 6.11 0.19 -1.70 0.01 -1.26 -1.46 113.70 113.18 2k5e s SER 42 Ca 0.28 1.98 -0.14 0.00 1.31 0.00 0.00 55.95 59.38 2k5e s SER 42 Cb -0.12 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 63.74 2k5e s SER 42 CO 0.20 -0.95 1.67 -0.07 0.41 0.00 0.00 173.24 174.51 2k5e h LEU 43 N 1.32 -0.30 -0.91 2.44 3.38 -1.12 -2.07 115.31 118.05 2k5e h LEU 43 Ca -0.49 0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2k5e h LEU 43 Cb 1.23 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 2k5e h LEU 43 CO 0.58 -0.11 0.60 -0.08 0.09 0.00 0.00 178.44 179.53 2k5e h GLU 44 N 0.08 1.18 0.69 1.13 4.81 -1.83 -1.51 114.58 119.13 2k5e h GLU 44 Ca 0.25 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2k5e h GLU 44 Cb 0.39 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.51 2k5e h GLU 44 CO -0.46 0.78 -0.33 1.96 -0.73 0.00 0.00 179.01 180.23 2k5e h GLN 45 N 1.22 -0.89 -0.79 1.92 4.20 -1.67 0.94 115.11 120.04 2k5e h GLN 45 Ca 0.34 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.17 2k5e h GLN 45 Cb -0.11 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2k5e h GLN 45 CO -0.08 -0.58 0.52 0.78 -0.67 0.00 0.00 178.83 178.80 2k5e h GLY 46 N -0.97 1.10 0.89 3.46 0.00 -1.45 -0.08 103.07 106.03 2k5e h GLY 46 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k5e h GLY 46 CO 0.16 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.97 2k5e h ALA 47 N 1.56 0.00 -0.81 3.60 0.00 -1.02 -2.17 119.26 120.42 2k5e h ALA 47 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k5e h ALA 47 Cb 0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k5e h ALA 47 CO -0.11 -0.44 0.52 -0.91 0.00 0.00 0.00 179.25 178.31 2k5e h ASN 48 N -0.10 0.94 -0.78 0.00 -0.26 -0.29 0.20 115.58 115.29 2k5e h ASN 48 Ca 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2k5e h ASN 48 Cb 0.11 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 2k5e h ASN 48 CO -0.00 0.70 0.50 0.00 -1.06 0.00 0.00 177.43 177.57 2k5e h ALA 49 N 1.47 1.40 -0.28 -0.83 0.00 -0.86 -1.57 119.26 118.59 2k5e h ALA 49 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k5e h ALA 49 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2k5e h ALA 49 CO -0.06 0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.45 2k5e n HIS 50 N -4.40 0.37 -3.07 0.00 8.25 -0.78 -4.95 115.22 110.63 2k5e n HIS 50 Ca 0.09 -0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 2k5e n HIS 50 Cb 0.05 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 1.18 -0.38 3.33 -1.41 0.00 -0.36 -5.04 105.19 102.51 2k5e n GLY 51 Ca 0.16 0.12 -0.25 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 -5.32 2.35 -0.68 0.99 1.43 0.57 -4.99 118.68 113.03 2k5e s LEU 52 Ca 0.12 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2k5e s LEU 52 Cb -0.02 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.28 2k5e s LEU 52 CO 0.59 0.07 1.16 0.21 0.23 0.00 0.00 176.35 178.61 2k5e s ASN 53 N -2.17 6.22 0.50 2.29 2.47 -1.26 -4.22 114.94 118.77 2k5e s ASN 53 Ca 0.11 -0.48 0.17 0.00 0.42 0.00 0.00 52.86 53.09 2k5e s ASN 53 Cb -0.09 -2.51 1.22 0.00 -1.45 0.00 0.00 41.25 38.42 2k5e s ASN 53 CO 0.06 -1.64 2.07 1.62 -3.72 0.00 0.00 177.10 175.49 2k5e h VAL 54 N 6.04 0.92 -0.29 -5.21 3.04 -1.92 -2.61 116.25 116.21 2k5e h VAL 54 Ca -0.28 -0.04 0.03 0.00 -1.01 0.00 0.00 66.70 65.40 2k5e h VAL 54 Cb 1.06 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 2k5e h VAL 54 CO 1.23 0.02 0.11 -0.33 -1.01 0.00 0.00 177.57 177.59 2k5e h GLU 55 N 0.13 0.24 -0.02 4.17 4.39 -2.00 0.16 114.58 121.66 2k5e h GLU 55 Ca 0.14 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2k5e h GLU 55 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2k5e h GLU 55 CO -0.02 0.16 -0.30 0.22 -1.16 0.00 0.00 179.01 177.92 2k5e h ASP 56 N 0.25 0.03 -0.06 1.42 3.58 -1.89 -2.52 116.42 117.23 2k5e h ASP 56 Ca 0.13 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2k5e h ASP 56 Cb 0.08 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2k5e h ASP 56 CO -0.12 0.32 -0.05 0.40 -2.88 0.00 0.00 179.24 176.92 2k5e h ILE 57 N 0.03 1.37 -0.84 2.25 2.04 -1.34 -3.23 117.51 117.79 2k5e h ILE 57 Ca 0.00 -1.19 0.11 0.00 1.00 0.00 0.00 64.86 64.79 2k5e h ILE 57 Cb 0.54 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 2k5e h ILE 57 CO 0.04 0.33 0.55 -0.07 0.00 0.00 0.00 178.15 178.99 2k5e h LEU 58 N -0.30 0.67 0.05 1.44 3.38 -0.70 -1.36 115.31 118.49 2k5e h LEU 58 Ca 0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k5e h LEU 58 Cb 0.55 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2k5e h LEU 58 CO 0.01 0.38 -0.37 -0.09 0.09 0.00 0.00 178.44 178.46 2k5e h ARG 59 N 0.73 -0.53 -0.18 1.13 2.43 -1.47 -0.60 114.38 115.89 2k5e h ARG 59 Ca 0.40 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.52 2k5e h ARG 59 Cb 0.54 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2k5e h ARG 59 CO -0.17 -0.36 -0.29 0.22 -1.51 0.00 0.00 179.97 177.87 2k5e h ASP 60 N -0.55 0.34 0.18 -3.80 3.58 -1.43 -1.85 116.42 112.89 2k5e h ASP 60 Ca 0.04 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2k5e h ASP 60 Cb 0.62 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2k5e h ASP 60 CO -0.26 0.63 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.57 2k5e h LEU 61 N 0.30 -0.21 -1.47 2.28 3.38 -0.95 -2.90 115.31 115.74 2k5e h LEU 61 Ca 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2k5e h LEU 61 Cb 0.66 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2k5e h LEU 61 CO 0.05 0.02 -0.23 0.78 0.09 0.00 0.00 178.44 179.15 2k5e h ASN 62 N -0.43 0.05 -0.05 -0.43 2.35 -1.04 -1.92 115.58 114.12 2k5e h ASN 62 Ca -0.02 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2k5e h ASN 62 Cb 0.33 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2k5e h ASN 62 CO 0.04 0.28 0.04 0.00 -1.65 0.00 0.00 177.43 176.14 2k5e h ALA 63 N 1.72 1.94 -0.01 -0.83 0.00 -1.18 0.14 119.26 121.05 2k5e h ALA 63 Ca 0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2k5e h ALA 63 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k5e h ALA 63 CO 0.03 -0.06 -0.49 -0.07 0.00 0.00 0.00 179.25 178.66 2k5e h LEU 64 N 0.00 0.03 0.14 0.00 3.38 -1.15 0.30 115.31 118.01 2k5e h LEU 64 Ca 0.02 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 2k5e h LEU 64 Cb 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k5e h LEU 64 CO -0.00 0.52 -1.53 0.00 0.09 0.00 0.00 178.44 177.51 2k5e h ALA 65 N 1.48 0.21 0.02 1.53 0.00 -1.16 -3.37 119.26 117.97 2k5e h ALA 65 Ca -0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 54.91 53.76 2k5e h ALA 65 Cb 0.88 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k5e h ALA 65 CO 0.07 1.08 -0.30 -0.07 0.00 0.00 0.00 179.25 180.03 2k5e h LEU 66 N 0.08 0.23 0.00 0.00 3.38 -1.04 -3.47 115.31 114.49 2k5e h LEU 66 Ca -0.25 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.89 2k5e h LEU 66 Cb 2.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2k5e h LEU 66 CO 0.18 1.04 0.00 -0.62 0.09 0.00 0.00 178.44 179.12 2k5e n GLU 67 N -4.46 0.00 -1.70 1.13 1.02 0.09 -4.93 120.64 111.79 2k5e n GLU 67 Ca -0.10 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.65 2k5e n GLU 67 Cb 0.55 -3.20 0.04 0.00 -0.02 0.00 0.00 31.44 28.81 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 -1.77 1.80 -1.68 -0.32 8.25 -1.26 -4.85 115.22 115.39 2k5e n HIS 68 Ca 0.00 0.45 -0.51 0.00 -0.26 0.00 0.00 57.72 57.40 2k5e n HIS 68 Cb 0.00 -2.29 -0.05 0.00 1.12 0.00 0.00 29.99 28.76 2k5e n HIS 68 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5e n HIS 69 N -1.17 2.20 -1.27 4.41 -0.00 -1.26 -4.95 115.22 113.17 2k5e n HIS 69 Ca 0.11 0.22 -0.31 0.00 0.46 0.00 0.00 57.72 58.20 2k5e n HIS 69 Cb 0.45 -2.57 0.10 0.00 -0.12 0.00 0.00 29.99 27.84 2k5e n HIS 69 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5e s HIS 70 N 3.42 2.55 -1.94 1.57 3.76 -1.26 -3.35 115.29 120.04 2k5e s HIS 70 Ca 0.93 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 57.29 2k5e s HIS 70 Cb -0.82 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 29.80 2k5e s HIS 70 CO 0.54 -1.93 0.00 1.58 -0.85 0.00 0.00 174.74 174.09 2k5e n HIS 71 N -3.60 -0.65 -4.14 1.40 -0.00 -1.26 -4.98 115.22 101.99 2k5e n HIS 71 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.63 2k5e n HIS 71 Cb 0.54 -3.81 -0.15 0.00 -0.00 0.00 0.00 29.99 26.57 2k5e n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5e s HIS 72 N -2.95 0.53 -2.61 1.57 5.04 -1.21 -5.32 115.29 110.33 2k5e s HIS 72 Ca 0.00 -0.11 0.27 0.00 -1.54 0.00 0.00 55.06 53.69 2k5e s HIS 72 Cb 0.00 -0.41 0.86 0.00 0.04 0.00 0.00 32.58 33.07 2k5e s HIS 72 CO 0.00 -0.07 1.64 0.72 -2.34 0.00 0.00 174.74 174.69