#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k53 s LYS 2 N 0.00 3.46 0.08 0.03 2.36 -1.26 -5.08 119.74 119.33 2k53 s LYS 2 Ca 0.00 -0.59 -0.31 0.00 -2.55 0.00 0.00 55.97 52.52 2k53 s LYS 2 Cb 0.00 -3.04 -0.08 0.00 -1.05 0.00 0.00 37.83 33.67 2k53 s LYS 2 CO 0.00 -0.13 1.47 0.42 1.55 0.00 0.00 175.35 178.66 2k53 s ILE 3 N 1.32 3.29 0.18 5.43 -1.09 -1.26 -5.02 121.20 124.04 2k53 s ILE 3 Ca 0.04 0.83 0.09 0.00 -2.23 0.00 0.00 60.65 59.39 2k53 s ILE 3 Cb -0.14 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2k53 s ILE 3 CO -0.01 0.03 -0.12 0.42 -1.23 0.00 0.00 174.94 174.03 2k53 s THR 4 N 1.78 3.05 -0.43 2.92 -4.23 -1.26 -4.90 115.64 112.56 2k53 s THR 4 Ca 0.67 -1.70 0.24 0.00 -1.18 0.00 0.00 61.69 59.72 2k53 s THR 4 Cb -0.37 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.23 2k53 s THR 4 CO 0.30 -0.10 1.72 2.29 -0.54 0.00 0.00 174.62 178.29 2k53 n LYS 5 N 0.13 0.20 0.20 3.99 2.85 -1.26 -1.68 118.16 122.58 2k53 n LYS 5 Ca -0.11 0.45 0.09 0.00 -1.05 0.00 0.00 58.31 57.68 2k53 n LYS 5 Cb 0.55 -1.90 0.24 0.00 -0.65 0.00 0.00 35.03 33.28 2k53 n LYS 5 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2k53 h ASP 6 N 0.00 0.00 -4.11 -5.58 3.58 -1.96 -0.48 116.42 107.87 2k53 h ASP 6 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2k53 h ASP 6 Cb 0.33 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.52 2k53 h ASP 6 CO 0.00 0.23 0.48 -0.04 -2.88 0.00 0.00 179.24 177.04 2k53 s MET 7 N -3.28 2.65 0.08 0.28 -1.94 -0.68 -4.61 119.30 111.81 2k53 s MET 7 Ca 0.04 1.94 -0.29 0.00 -1.71 0.00 0.00 55.69 55.66 2k53 s MET 7 Cb 0.08 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 34.99 2k53 s MET 7 CO 0.68 -1.48 0.94 0.42 -0.01 0.00 0.00 175.02 175.56 2k53 s ILE 8 N -1.55 4.60 0.17 2.53 -1.09 -1.26 -1.19 121.20 123.41 2k53 s ILE 8 Ca 0.80 2.01 -0.18 0.00 -2.23 0.00 0.00 60.65 61.05 2k53 s ILE 8 Cb -0.34 -4.30 0.10 0.00 -1.58 0.00 0.00 42.46 36.35 2k53 s ILE 8 CO 0.38 0.30 1.65 0.40 -1.23 0.00 0.00 174.94 176.43 2k53 h ILE 9 N 4.19 0.50 -0.92 2.92 2.04 -1.55 -1.03 117.51 123.66 2k53 h ILE 9 Ca -0.43 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.48 2k53 h ILE 9 Cb 1.21 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2k53 h ILE 9 CO 0.72 0.00 0.59 0.00 0.00 0.00 0.00 178.15 179.47 2k53 h ALA 10 N 1.27 1.25 -0.83 1.87 0.00 -1.69 -1.63 119.26 119.50 2k53 h ALA 10 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k53 h ALA 10 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2k53 h ALA 10 CO -0.45 0.42 0.46 0.22 0.00 0.00 0.00 179.25 179.90 2k53 h ASP 11 N 1.12 1.01 -0.34 0.00 3.58 -1.48 -0.13 116.42 120.18 2k53 h ASP 11 Ca 0.38 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 2k53 h ASP 11 Cb 0.08 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2k53 h ASP 11 CO -0.14 0.81 0.05 0.58 -2.88 0.00 0.00 179.24 177.65 2k53 h VAL 12 N 1.15 1.24 -0.33 2.25 2.07 -0.86 -3.03 116.25 118.73 2k53 h VAL 12 Ca 0.29 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2k53 h VAL 12 Cb 0.01 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2k53 h VAL 12 CO -0.05 0.28 0.22 -0.07 0.02 0.00 0.00 177.57 177.97 2k53 h LEU 13 N 0.40 0.36 -1.95 2.57 3.38 -0.58 -1.31 115.31 118.19 2k53 h LEU 13 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2k53 h LEU 13 Cb 0.37 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k53 h LEU 13 CO 0.01 0.26 -0.06 1.56 0.09 0.00 0.00 178.44 180.30 2k53 h GLN 14 N 0.43 0.00 0.18 1.13 1.08 -0.92 -2.80 115.11 114.21 2k53 h GLN 14 Ca 0.12 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.01 2k53 h GLN 14 Cb -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2k53 h GLN 14 CO -0.03 0.06 -1.53 0.52 -0.95 0.00 0.00 178.83 176.90 2k53 h MET 15 N 0.00 0.38 -2.05 1.46 2.86 -1.29 -3.46 114.93 112.82 2k53 h MET 15 Ca -0.00 -0.64 0.06 0.00 -2.06 0.00 0.00 59.70 57.06 2k53 h MET 15 Cb 0.12 0.24 -0.21 0.00 0.06 0.00 0.00 31.60 31.81 2k53 h MET 15 CO 0.01 1.31 -0.14 0.34 1.06 0.00 0.00 176.91 179.49 2k53 s ASP 16 N -7.25 -1.05 0.39 1.22 -1.08 -0.88 -5.03 116.67 102.99 2k53 s ASP 16 Ca -0.16 1.52 0.28 0.00 -0.52 0.00 0.00 52.55 53.67 2k53 s ASP 16 Cb 0.04 2.13 1.17 0.00 -1.46 0.00 0.00 42.92 44.80 2k53 s ASP 16 CO 0.85 -0.22 1.84 0.03 0.52 0.00 0.00 175.17 178.18 2k53 h ARG 17 N 7.92 0.00 0.00 4.34 2.47 -1.81 -2.95 114.38 124.36 2k53 h ARG 17 Ca -0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2k53 h ARG 17 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2k53 h ARG 17 CO 0.11 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.05 2k53 n GLY 18 N -0.01 -0.69 0.21 0.04 0.00 -1.26 -1.32 105.19 102.15 2k53 n GLY 18 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2k53 n GLY 18 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k53 h THR 19 N 0.00 0.00 -0.07 2.61 1.35 -1.89 -3.36 112.91 111.55 2k53 h THR 19 Ca 0.00 -0.95 0.03 0.00 -0.55 0.00 0.00 66.41 64.94 2k53 h THR 19 Cb 0.12 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 2k53 h THR 19 CO 0.00 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.14 2k53 h ALA 20 N 2.05 -0.10 -0.01 6.62 0.00 -1.44 -0.64 119.26 125.73 2k53 h ALA 20 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k53 h ALA 20 Cb 0.97 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k53 h ALA 20 CO 0.00 -0.60 0.05 -1.00 0.00 0.00 0.00 179.25 177.69 2k53 h PRO 21 N -0.19 0.00 0.06 0.00 0.13 -1.78 -0.20 132.00 130.02 2k53 h PRO 21 Ca 0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.96 2k53 h PRO 21 Cb 0.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.44 2k53 h PRO 21 CO -0.18 0.00 -0.97 0.82 -0.23 0.00 0.00 178.00 177.43 2k53 h ILE 22 N 0.00 1.35 -0.40 -3.56 2.04 -1.36 0.12 117.51 115.70 2k53 h ILE 22 Ca 0.01 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 63.55 2k53 h ILE 22 Cb 0.10 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 2k53 h ILE 22 CO -0.00 0.69 0.24 -0.26 0.00 0.00 0.00 178.15 178.83 2k53 h PHE 23 N 0.13 0.52 -0.87 1.37 0.04 -0.31 -2.53 116.94 115.29 2k53 h PHE 23 Ca -0.14 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 2k53 h PHE 23 Cb 1.67 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.61 2k53 h PHE 23 CO 0.13 0.37 0.52 0.82 -0.60 0.00 0.00 178.31 179.55 2k53 h ILE 24 N 0.53 1.24 -0.90 -0.55 2.04 -1.10 -1.96 117.51 116.81 2k53 h ILE 24 Ca 0.14 -0.53 0.15 0.00 1.00 0.00 0.00 64.86 65.62 2k53 h ILE 24 Cb -0.00 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.02 2k53 h ILE 24 CO -0.03 0.25 0.58 -1.13 0.00 0.00 0.00 178.15 177.83 2k53 h ASN 25 N 1.20 0.67 0.11 1.72 -1.24 -0.34 -0.03 115.58 117.66 2k53 h ASN 25 Ca 0.31 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.36 2k53 h ASN 25 Cb -0.05 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2k53 h ASN 25 CO -0.06 0.33 -0.11 0.59 -1.29 0.00 0.00 177.43 176.89 2k53 n ASN 26 N -4.57 1.25 -0.12 1.15 3.02 -0.94 -4.95 115.26 110.10 2k53 n ASN 26 Ca 0.18 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2k53 n ASN 26 Cb 0.47 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2k53 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k53 n GLY 27 N 1.25 1.11 3.88 7.41 0.00 -0.02 -4.83 105.19 113.98 2k53 n GLY 27 Ca 0.16 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2k53 n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k53 s MET 28 N -1.64 2.40 0.34 1.61 -1.94 -0.78 -4.97 119.30 114.32 2k53 s MET 28 Ca 0.00 0.33 -0.28 0.00 -1.71 0.00 0.00 55.69 54.03 2k53 s MET 28 Cb 0.00 -1.98 -0.09 0.00 2.01 0.00 0.00 34.83 34.76 2k53 s MET 28 CO 0.00 -1.33 1.19 -1.01 -0.01 0.00 0.00 175.02 173.86 2k53 s HIS 29 N -3.43 3.24 0.42 -0.03 3.76 -1.26 -4.75 115.29 113.24 2k53 s HIS 29 Ca 0.60 1.56 -0.25 0.00 -0.15 0.00 0.00 55.06 56.82 2k53 s HIS 29 Cb -0.11 -3.45 -0.08 0.00 1.11 0.00 0.00 32.58 30.05 2k53 s HIS 29 CO 0.51 -1.22 1.20 0.00 -0.85 0.00 0.00 174.74 174.38 2k53 s LEU 31 N -2.66 4.32 0.37 0.00 1.98 -1.26 -4.64 118.68 116.79 2k53 s LEU 31 Ca 0.59 2.39 0.00 0.00 -2.89 0.00 0.00 54.13 54.22 2k53 s LEU 31 Cb -0.32 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.00 2k53 s LEU 31 CO 0.40 -1.04 0.00 0.61 -1.89 0.00 0.00 176.35 174.42 2k53 n GLY 32 N 4.41 -1.36 3.70 7.98 0.00 -1.26 -5.10 105.19 113.56 2k53 n GLY 32 Ca 0.19 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 2k53 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k53 h PRO 34 N 7.01 0.00 -0.76 0.00 0.13 -1.99 -2.09 132.00 134.29 2k53 h PRO 34 Ca -0.37 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.89 2k53 h PRO 34 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2k53 h PRO 34 CO 0.76 0.00 0.33 0.77 -0.23 0.00 0.00 178.00 179.63 2k53 h SER 35 N 0.00 0.35 0.04 1.44 0.02 -2.00 -1.18 113.55 112.22 2k53 h SER 35 Ca 0.12 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2k53 h SER 35 Cb 0.80 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2k53 h SER 35 CO -0.00 0.15 -0.00 -1.28 -1.14 0.00 0.00 176.83 174.55 2k53 h SER 36 N 0.50 0.00 0.32 3.07 0.87 -1.79 -1.00 113.55 115.52 2k53 h SER 36 Ca 0.41 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.71 2k53 h SER 36 Cb 0.59 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2k53 h SER 36 CO -0.38 0.00 -1.14 0.24 -0.53 0.00 0.00 176.83 175.03 2k53 h MET 37 N 0.00 0.47 0.00 2.24 2.86 -1.40 -3.32 114.93 115.78 2k53 h MET 37 Ca -0.00 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 2k53 h MET 37 Cb 0.02 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k53 h MET 37 CO 0.00 1.24 -0.17 0.41 1.06 0.00 0.00 176.91 179.46 2k53 n GLY 38 N 1.25 -1.45 3.76 8.32 0.00 -0.41 -2.09 105.19 114.58 2k53 n GLY 38 Ca -0.10 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2k53 n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k53 s GLU 39 N -3.02 4.55 0.58 1.61 2.02 -1.04 -4.84 118.70 118.55 2k53 s GLU 39 Ca 0.12 1.76 -0.16 0.00 0.02 0.00 0.00 54.97 56.72 2k53 s GLU 39 Cb 0.18 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2k53 s GLU 39 CO 0.59 0.14 1.04 -1.12 0.02 0.00 0.00 175.26 175.93 2k53 s SER 40 N -0.99 5.98 0.10 -0.19 0.01 -1.26 -2.16 113.70 115.19 2k53 s SER 40 Ca 0.47 1.74 -0.33 0.00 1.31 0.00 0.00 55.95 59.14 2k53 s SER 40 Cb -0.30 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.27 2k53 s SER 40 CO 0.39 -1.03 1.58 0.40 0.41 0.00 0.00 173.24 174.98 2k53 h ILE 41 N 0.48 0.09 -0.25 1.44 2.04 -1.04 0.14 117.51 120.42 2k53 h ILE 41 Ca -0.47 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2k53 h ILE 41 Cb 1.21 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k53 h ILE 41 CO 0.58 0.00 -0.11 1.05 0.00 0.00 0.00 178.15 179.67 2k53 h GLU 42 N -0.79 0.40 0.33 2.37 4.11 -1.38 -0.24 114.58 119.39 2k53 h GLU 42 Ca -0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2k53 h GLU 42 Cb 0.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k53 h GLU 42 CO -0.18 0.52 -0.16 0.22 0.07 0.00 0.00 179.01 179.48 2k53 h ASP 43 N 0.38 -0.38 -0.92 3.06 3.58 -1.70 0.28 116.42 120.73 2k53 h ASP 43 Ca 0.07 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.45 2k53 h ASP 43 Cb 0.43 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 2k53 h ASP 43 CO 0.02 -0.09 0.60 0.00 -2.88 0.00 0.00 179.24 176.90 2k53 h ALA 44 N -0.08 1.44 -0.25 -0.78 0.00 -0.62 -1.68 119.26 117.29 2k53 h ALA 44 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k53 h ALA 44 Cb 0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2k53 h ALA 44 CO 0.07 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.79 2k53 h ALA 46 N 1.20 1.95 -0.49 0.00 0.00 -0.05 0.76 119.26 122.63 2k53 h ALA 46 Ca 0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2k53 h ALA 46 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k53 h ALA 46 CO -0.19 -0.06 -0.15 0.28 0.00 0.00 0.00 179.25 179.13 2k53 h VAL 47 N 0.00 1.27 -0.37 0.00 2.07 -0.79 -3.24 116.25 115.19 2k53 h VAL 47 Ca 0.02 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2k53 h VAL 47 Cb 0.09 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k53 h VAL 47 CO -0.00 0.45 0.00 1.57 0.02 0.00 0.00 177.57 179.61 2k53 n HIS 48 N -4.13 0.49 -2.48 1.57 -0.00 -0.59 -4.97 115.22 105.11 2k53 n HIS 48 Ca 0.01 -0.49 -0.17 0.00 -0.00 0.00 0.00 57.72 57.07 2k53 n HIS 48 Cb 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 2k53 n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k53 n GLY 49 N 0.60 -0.30 3.85 1.57 0.00 0.23 -5.00 105.19 106.14 2k53 n GLY 49 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2k53 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k53 s ILE 50 N -2.89 4.57 -0.53 -0.61 1.01 0.64 -4.97 121.20 118.41 2k53 s ILE 50 Ca 0.07 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.59 2k53 s ILE 50 Cb -0.03 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2k53 s ILE 50 CO 0.09 -0.54 1.00 -0.62 0.00 0.00 0.00 174.94 174.87 2k53 s ASP 51 N -2.85 6.41 0.23 3.58 -1.08 -1.26 -4.56 116.67 117.15 2k53 s ASP 51 Ca 0.58 -0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.61 2k53 s ASP 51 Cb -0.10 -2.47 0.14 0.00 -1.46 0.00 0.00 42.92 39.03 2k53 s ASP 51 CO 0.27 -1.24 1.48 0.00 0.52 0.00 0.00 175.17 176.19 2k53 h ALA 52 N 9.30 0.69 -0.34 3.66 0.00 -1.93 -2.72 119.26 127.92 2k53 h ALA 52 Ca -0.25 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.03 2k53 h ALA 52 Cb 1.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2k53 h ALA 52 CO 1.10 0.90 0.17 0.22 0.00 0.00 0.00 179.25 181.64 2k53 h ASP 53 N 0.00 0.26 -0.07 0.00 1.82 -2.00 -0.15 116.42 116.28 2k53 h ASP 53 Ca -0.01 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.56 2k53 h ASP 53 Cb 1.37 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2k53 h ASP 53 CO 0.09 0.19 -0.31 0.11 -1.61 0.00 0.00 179.24 177.71 2k53 h LYS 54 N 0.36 0.33 -0.25 0.28 1.57 -1.99 -3.07 116.57 113.80 2k53 h LYS 54 Ca 0.14 -0.27 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2k53 h LYS 54 Cb 0.05 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2k53 h LYS 54 CO -0.10 0.91 -0.15 1.25 -0.57 0.00 0.00 179.45 180.80 2k53 h LEU 55 N -0.17 -0.48 -0.83 2.94 5.85 -1.33 0.11 115.31 121.40 2k53 h LEU 55 Ca -0.02 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2k53 h LEU 55 Cb 0.97 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2k53 h LEU 55 CO 0.07 -0.18 0.55 0.58 -0.34 0.00 0.00 178.44 179.11 2k53 h VAL 56 N -0.13 1.21 -0.59 1.05 2.07 -1.13 -1.03 116.25 117.70 2k53 h VAL 56 Ca 0.14 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 2k53 h VAL 56 Cb 0.33 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2k53 h VAL 56 CO -0.33 0.20 0.00 0.11 0.02 0.00 0.00 177.57 177.58 2k53 h LYS 57 N 1.12 1.04 -0.68 1.57 1.57 -1.30 0.01 116.57 119.90 2k53 h LYS 57 Ca 0.31 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k53 h LYS 57 Cb -0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 2k53 h LYS 57 CO -0.07 1.01 0.40 0.93 -0.57 0.00 0.00 179.45 181.16 2k53 h GLU 58 N 0.95 0.91 0.08 3.15 5.08 -0.32 -0.79 114.58 123.65 2k53 h GLU 58 Ca 0.17 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2k53 h GLU 58 Cb 0.55 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k53 h GLU 58 CO 0.03 0.65 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.57 2k53 h LEU 59 N 0.93 -0.09 -0.05 1.33 3.38 -0.71 -2.77 115.31 117.32 2k53 h LEU 59 Ca 0.24 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k53 h LEU 59 Cb -0.03 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2k53 h LEU 59 CO -0.05 0.21 -0.12 0.78 0.09 0.00 0.00 178.44 179.35 2k53 h ASN 60 N -0.40 -0.37 -0.61 -0.43 2.35 -0.73 -2.30 115.58 113.09 2k53 h ASN 60 Ca -0.01 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2k53 h ASN 60 Cb 0.34 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2k53 h ASN 60 CO 0.02 -0.17 0.40 -0.33 -1.65 0.00 0.00 177.43 175.70 2k53 h GLU 61 N -0.18 0.57 -0.20 0.81 5.08 -1.23 -1.70 114.58 117.72 2k53 h GLU 61 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2k53 h GLU 61 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k53 h GLU 61 CO -0.16 0.37 0.11 -0.92 -1.00 0.00 0.00 179.01 177.41 2k53 h TYR 62 N 0.58 0.20 -0.81 4.33 3.20 -1.12 -0.00 116.97 123.35 2k53 h TYR 62 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2k53 h TYR 62 Cb 0.30 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2k53 h TYR 62 CO -0.00 0.12 0.43 0.74 -1.64 0.00 0.00 178.16 177.81 2k53 h PHE 63 N 0.22 1.12 -0.75 -3.82 0.04 -1.05 -1.61 116.94 111.09 2k53 h PHE 63 Ca 0.08 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.83 2k53 h PHE 63 Cb 0.01 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 37.76 2k53 h PHE 63 CO -0.09 0.79 0.50 0.93 -0.60 0.00 0.00 178.31 179.84 2k53 h GLU 64 N 1.14 0.98 0.00 1.51 5.08 -0.89 -1.94 114.58 120.46 2k53 h GLU 64 Ca 0.28 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2k53 h GLU 64 Cb 0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2k53 h GLU 64 CO -0.04 0.65 -0.25 0.87 -1.00 0.00 0.00 179.01 179.24 2k53 h LYS 65 N 1.01 0.00 -0.55 2.33 1.79 -0.07 -3.04 116.57 118.04 2k53 h LYS 65 Ca 0.28 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 2k53 h LYS 65 Cb -0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 2k53 h LYS 65 CO -0.06 0.25 0.30 0.87 -1.08 0.00 0.00 179.45 179.72 2k53 h LYS 66 N 0.00 0.77 0.00 3.15 1.57 -0.69 0.47 116.57 121.84 2k53 h LYS 66 Ca -0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2k53 h LYS 66 Cb 0.58 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2k53 h LYS 66 CO 0.03 0.60 -0.02 0.93 -0.57 0.00 0.00 179.45 180.42 2k53 h GLU 67 N 0.74 0.00 0.01 3.15 5.08 -1.54 0.16 114.58 122.18 2k53 h GLU 67 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2k53 h GLU 67 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k53 h GLU 67 CO -0.03 0.02 -0.00 0.28 -1.00 0.00 0.00 179.01 178.28 2k53 h VAL 68 N 0.00 1.15 0.13 3.13 2.07 -1.26 -3.41 116.25 118.05 2k53 h VAL 68 Ca -0.00 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 2k53 h VAL 68 Cb 0.27 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2k53 h VAL 68 CO 0.00 0.38 -0.06 -0.07 0.02 0.00 0.00 177.57 177.84 2k53 h LEU 69 N -0.99 -0.15 0.00 2.57 3.38 -0.80 -3.52 115.31 115.81 2k53 h LEU 69 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k53 h LEU 69 Cb 0.64 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k53 h LEU 69 CO 0.00 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.32