#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 3.51 0.22 0.03 2.47 -1.26 -5.05 119.74 119.67 2k53 s LYS 2 Ca 0.00 -0.54 -0.31 0.00 -1.56 0.00 0.00 55.97 53.56 2k53 s LYS 2 Cb 0.00 -3.81 -0.11 0.00 -1.46 0.00 0.00 37.83 32.45 2k53 s LYS 2 CO 0.00 -0.50 1.61 0.42 0.16 0.00 0.00 175.35 177.04 2k53 s ILE 3 N 1.88 2.29 0.26 5.43 -1.09 -1.26 -5.02 121.20 123.68 2k53 s ILE 3 Ca 0.09 0.22 0.11 0.00 -2.23 0.00 0.00 60.65 58.85 2k53 s ILE 3 Cb -0.17 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2k53 s ILE 3 CO 0.11 0.02 -0.20 0.42 -1.23 0.00 0.00 174.94 174.07 2k53 s THR 4 N 0.69 2.38 -0.15 2.92 -4.23 -1.26 -4.87 115.64 111.11 2k53 s THR 4 Ca 0.68 -2.35 0.26 0.00 -1.18 0.00 0.00 61.69 59.11 2k53 s THR 4 Cb -0.46 -2.25 0.27 0.00 1.34 0.00 0.00 72.50 71.40 2k53 s THR 4 CO 0.38 -0.39 1.80 0.07 -0.54 0.00 0.00 174.62 175.93 2k53 h LYS 5 N 2.40 0.00 0.00 3.99 2.10 -1.95 -2.09 116.57 121.02 2k53 h LYS 5 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.14 2k53 h LYS 5 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 2k53 h LYS 5 CO 0.59 0.00 -0.52 0.22 -2.00 0.00 0.00 179.45 177.74 2k53 h ASP 6 N 0.00 0.00 -4.26 7.07 3.58 -1.97 -1.71 116.42 119.13 2k53 h ASP 6 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2k53 h ASP 6 Cb 0.17 0.00 0.15 0.00 1.72 0.00 0.00 39.33 41.37 2k53 h ASP 6 CO 0.00 0.52 0.31 -0.04 -2.88 0.00 0.00 179.24 177.14 2k53 s MET 7 N -3.24 1.90 0.06 0.28 -1.94 -0.79 -4.60 119.30 110.97 2k53 s MET 7 Ca 0.02 1.42 -0.25 0.00 -1.71 0.00 0.00 55.69 55.16 2k53 s MET 7 Cb 0.10 -1.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.04 2k53 s MET 7 CO 0.73 -1.95 0.77 0.42 -0.01 0.00 0.00 175.02 174.98 2k53 s ILE 8 N -2.60 4.70 0.13 2.53 -1.09 -1.26 -0.56 121.20 123.04 2k53 s ILE 8 Ca 0.66 1.65 -0.20 0.00 -2.23 0.00 0.00 60.65 60.53 2k53 s ILE 8 Cb -0.21 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 2k53 s ILE 8 CO 0.53 0.37 1.72 0.40 -1.23 0.00 0.00 174.94 176.73 2k53 h ILE 9 N 4.06 0.84 -0.45 2.92 2.04 -1.55 -0.13 117.51 125.25 2k53 h ILE 9 Ca -0.44 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.46 2k53 h ILE 9 Cb 1.21 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2k53 h ILE 9 CO 0.71 0.01 0.30 0.00 0.00 0.00 0.00 178.15 179.17 2k53 h ALA 10 N 1.18 1.96 -0.19 1.87 0.00 -1.32 -1.62 119.26 121.14 2k53 h ALA 10 Ca 0.10 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2k53 h ALA 10 Cb 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k53 h ALA 10 CO -0.17 -0.05 -0.64 0.22 0.00 0.00 0.00 179.25 178.61 2k53 h ASP 11 N 0.36 0.90 -0.82 0.00 3.58 -1.53 -1.63 116.42 117.28 2k53 h ASP 11 Ca 0.20 -0.59 0.06 0.00 0.42 0.00 0.00 57.03 57.11 2k53 h ASP 11 Cb 0.32 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 2k53 h ASP 11 CO -0.05 1.33 0.53 0.58 -2.88 0.00 0.00 179.24 178.76 2k53 h VAL 12 N 0.51 1.06 -0.45 2.25 2.07 -0.42 0.36 116.25 121.62 2k53 h VAL 12 Ca -0.02 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2k53 h VAL 12 Cb 1.26 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2k53 h VAL 12 CO 0.14 0.17 0.05 -0.07 0.02 0.00 0.00 177.57 177.87 2k53 h LEU 13 N 0.92 0.66 -1.62 2.57 3.38 -1.10 -1.07 115.31 119.04 2k53 h LEU 13 Ca 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2k53 h LEU 13 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k53 h LEU 13 CO -0.12 0.70 -0.20 1.56 0.09 0.00 0.00 178.44 180.47 2k53 h GLN 14 N 0.67 0.00 -0.02 1.13 1.08 0.02 -2.59 115.11 115.40 2k53 h GLN 14 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2k53 h GLN 14 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2k53 h GLN 14 CO 0.01 0.20 -0.04 0.52 -0.95 0.00 0.00 178.83 178.57 2k53 h MET 15 N 0.00 0.06 -1.98 1.46 2.86 -0.60 -3.47 114.93 113.27 2k53 h MET 15 Ca -0.00 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k53 h MET 15 Cb 0.37 0.01 -0.21 0.00 0.06 0.00 0.00 31.60 31.82 2k53 h MET 15 CO 0.03 0.62 0.05 0.34 1.06 0.00 0.00 176.91 179.00 2k53 s ASP 16 N -5.86 -0.91 0.52 1.22 -1.08 -0.46 -5.04 116.67 105.05 2k53 s ASP 16 Ca -0.16 1.48 0.31 0.00 -0.52 0.00 0.00 52.55 53.66 2k53 s ASP 16 Cb 0.01 1.39 1.16 0.00 -1.46 0.00 0.00 42.92 44.02 2k53 s ASP 16 CO 0.69 -0.24 1.91 0.03 0.52 0.00 0.00 175.17 178.09 2k53 h ARG 17 N 6.76 0.00 0.00 4.34 2.47 -1.79 -3.03 114.38 123.13 2k53 h ARG 17 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2k53 h ARG 17 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2k53 h ARG 17 CO 0.15 0.02 0.00 0.41 0.56 0.00 0.00 179.97 181.11 2k53 n GLY 18 N 0.23 -0.65 0.21 0.04 0.00 -1.26 -2.40 105.19 101.36 2k53 n GLY 18 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.30 2.61 1.35 -1.87 -3.36 112.91 111.35 2k53 h THR 19 Ca 0.00 -0.95 0.06 0.00 -0.55 0.00 0.00 66.41 64.97 2k53 h THR 19 Cb 0.04 1.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.35 2k53 h THR 19 CO 0.00 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 175.20 2k53 h ALA 20 N 2.05 0.21 -0.91 6.62 0.00 -1.73 -1.46 119.26 124.04 2k53 h ALA 20 Ca 0.00 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.23 2k53 h ALA 20 Cb 0.98 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2k53 h ALA 20 CO 0.00 -0.46 0.45 -1.35 0.00 0.00 0.00 179.25 177.89 2k53 h PRO 21 N 0.01 0.47 -0.45 0.00 0.11 -1.82 -0.49 132.00 129.83 2k53 h PRO 21 Ca 0.15 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2k53 h PRO 21 Cb 0.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2k53 h PRO 21 CO -0.30 0.31 0.27 0.82 -0.21 0.00 0.00 178.00 178.89 2k53 h ILE 22 N 0.49 1.14 -0.36 4.15 2.04 -1.50 0.23 117.51 123.70 2k53 h ILE 22 Ca 0.56 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 66.11 2k53 h ILE 22 Cb 1.01 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2k53 h ILE 22 CO -0.48 0.14 0.19 -0.26 0.00 0.00 0.00 178.15 177.75 2k53 h PHE 23 N 0.59 0.36 -0.93 1.37 0.04 -0.81 -2.56 116.94 115.01 2k53 h PHE 23 Ca 0.16 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.97 2k53 h PHE 23 Cb 0.00 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 2k53 h PHE 23 CO -0.03 0.20 0.61 0.82 -0.60 0.00 0.00 178.31 179.31 2k53 h ILE 24 N 0.40 1.17 -0.69 -0.55 2.04 -0.59 -1.43 117.51 117.87 2k53 h ILE 24 Ca 0.15 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2k53 h ILE 24 Cb 0.03 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 35.96 2k53 h ILE 24 CO -0.09 0.22 0.45 -1.13 0.00 0.00 0.00 178.15 177.60 2k53 h ASN 25 N 1.18 0.69 -0.12 1.72 -1.24 -0.17 -1.46 115.58 116.19 2k53 h ASN 25 Ca 0.36 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.37 2k53 h ASN 25 Cb -0.01 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2k53 h ASN 25 CO -0.11 0.47 0.00 0.59 -1.29 0.00 0.00 177.43 177.10 2k53 n ASN 26 N -4.46 1.15 0.00 1.15 3.02 -0.80 -4.89 115.26 110.43 2k53 n ASN 26 Ca 0.09 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2k53 n ASN 26 Cb 0.14 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.02 0.99 3.67 7.41 0.00 -0.55 -4.84 105.19 112.89 2k53 n GLY 27 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.78 0.09 -0.03 1.61 -1.94 -0.61 -4.98 119.30 112.67 2k53 s MET 28 Ca 0.00 0.33 0.01 0.00 -1.71 0.00 0.00 55.69 54.32 2k53 s MET 28 Cb 0.00 -1.71 0.02 0.00 2.01 0.00 0.00 34.83 35.15 2k53 s MET 28 CO 0.00 -2.92 -0.01 -3.38 -0.01 0.00 0.00 175.02 168.70 2k53 s HIS 29 N -3.02 0.38 -1.10 -0.03 -3.43 -1.26 -4.52 115.29 102.30 2k53 s HIS 29 Ca 0.67 -0.04 -0.20 0.00 -0.80 0.00 0.00 55.06 54.68 2k53 s HIS 29 Cb -0.16 -0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 30.51 2k53 s HIS 29 CO 0.57 -0.12 1.95 0.00 -2.00 0.00 0.00 174.74 175.14 2k53 s LEU 31 N 4.67 1.94 -1.15 0.00 1.98 -1.26 -5.05 118.68 119.82 2k53 s LEU 31 Ca 0.58 -0.45 -0.13 0.00 -2.89 0.00 0.00 54.13 51.24 2k53 s LEU 31 Cb 0.08 -1.18 -0.07 0.00 0.66 0.00 0.00 46.19 45.68 2k53 s LEU 31 CO 0.08 0.14 2.27 0.61 -1.89 0.00 0.00 176.35 177.55 2k53 n GLY 32 N 3.47 3.50 2.97 7.98 0.00 -1.26 -4.76 105.19 117.09 2k53 n GLY 32 Ca -0.20 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 7.41 0.30 -0.42 0.00 0.11 -1.95 -0.11 132.00 137.34 2k53 h PRO 34 Ca -0.31 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.90 2k53 h PRO 34 Cb 1.16 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2k53 h PRO 34 CO 0.45 0.20 0.32 1.03 -0.21 0.00 0.00 178.00 179.79 2k53 h SER 35 N 0.31 0.00 0.00 -2.05 0.87 -1.96 0.47 113.55 111.19 2k53 h SER 35 Ca 0.74 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 2k53 h SER 35 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2k53 h SER 35 CO -0.57 0.00 -0.61 -1.20 -0.53 0.00 0.00 176.83 173.92 2k53 n SER 36 N -4.29 0.61 0.05 6.23 7.64 -0.11 -4.18 113.62 119.58 2k53 n SER 36 Ca 0.07 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2k53 n SER 36 Cb 0.52 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 2k53 n SER 36 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2k53 n MET 37 N -1.31 0.00 0.26 1.43 2.81 -0.57 -4.84 117.12 114.90 2k53 n MET 37 Ca 0.02 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.07 2k53 n MET 37 Cb 0.20 -0.40 0.59 0.00 -0.71 0.00 0.00 33.22 32.89 2k53 n MET 37 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2k53 h GLY 38 N 0.00 0.00 -0.93 3.03 0.00 -0.38 -0.43 103.07 104.35 2k53 h GLY 38 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2k53 h GLY 38 CO 0.00 0.00 0.37 -0.54 0.00 0.00 0.00 176.54 176.37 2k53 s GLU 39 N -3.62 0.80 0.67 4.80 0.41 0.11 -4.83 118.70 117.04 2k53 s GLU 39 Ca 0.02 -0.54 -0.11 0.00 -0.41 0.00 0.00 54.97 53.92 2k53 s GLU 39 Cb 0.09 -1.93 -0.01 0.00 -1.78 0.00 0.00 34.13 30.50 2k53 s GLU 39 CO 0.58 -2.26 1.06 -1.54 -0.49 0.00 0.00 175.26 172.60 2k53 s SER 40 N -4.87 5.73 0.15 -0.19 1.04 -1.26 -2.52 113.70 111.78 2k53 s SER 40 Ca 0.73 1.38 -0.16 0.00 0.48 0.00 0.00 55.95 58.37 2k53 s SER 40 Cb -0.04 -2.30 0.06 0.00 0.10 0.00 0.00 66.02 63.84 2k53 s SER 40 CO 0.52 -1.19 1.75 0.40 0.98 0.00 0.00 173.24 175.69 2k53 h ILE 41 N -0.54 0.88 -0.59 -1.02 2.04 -0.79 -0.70 117.51 116.78 2k53 h ILE 41 Ca -0.44 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2k53 h ILE 41 Cb 1.22 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2k53 h ILE 41 CO 0.61 0.05 0.30 1.05 0.00 0.00 0.00 178.15 180.16 2k53 h GLU 42 N 0.25 0.84 0.21 2.37 4.11 -1.58 -0.66 114.58 120.12 2k53 h GLU 42 Ca 0.16 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2k53 h GLU 42 Cb 0.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k53 h GLU 42 CO -0.18 0.67 -0.10 -0.44 0.07 0.00 0.00 179.01 179.03 2k53 h ASP 43 N 0.80 -0.24 -0.30 3.06 5.19 -1.75 -1.30 116.42 121.89 2k53 h ASP 43 Ca 0.20 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2k53 h ASP 43 Cb 0.09 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2k53 h ASP 43 CO -0.03 -0.16 0.14 0.00 -3.12 0.00 0.00 179.24 176.07 2k53 h ALA 44 N 0.51 0.38 -0.57 3.45 0.00 -1.08 -2.86 119.26 119.09 2k53 h ALA 44 Ca -0.03 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k53 h ALA 44 Cb 0.22 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2k53 h ALA 44 CO 0.05 -0.05 0.17 0.00 0.00 0.00 0.00 179.25 179.42 2k53 h ALA 46 N 1.41 1.88 -0.31 0.00 0.00 -1.02 0.67 119.26 121.88 2k53 h ALA 46 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2k53 h ALA 46 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k53 h ALA 46 CO -0.32 -0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.31 2k53 h VAL 47 N 0.57 1.18 0.00 0.00 2.07 -1.06 -3.01 116.25 116.00 2k53 h VAL 47 Ca 0.31 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k53 h VAL 47 Cb 0.46 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2k53 h VAL 47 CO -0.10 0.19 -0.45 1.57 0.02 0.00 0.00 177.57 178.80 2k53 n HIS 48 N -4.73 0.00 -2.52 1.57 -0.00 -0.83 -4.96 115.22 103.75 2k53 n HIS 48 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.67 2k53 n HIS 48 Cb 0.13 -0.28 0.01 0.00 -0.00 0.00 0.00 29.99 29.86 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 1.50 0.65 3.89 1.57 0.00 0.21 -5.06 105.19 107.95 2k53 n GLY 49 Ca 0.06 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.85 5.05 -0.68 -0.61 1.01 0.31 -4.99 121.20 118.44 2k53 s ILE 50 Ca 0.06 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 2k53 s ILE 50 Cb -0.03 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.82 2k53 s ILE 50 CO 0.08 -0.11 1.22 -0.62 0.00 0.00 0.00 174.94 175.51 2k53 s ASP 51 N -2.63 6.25 0.49 3.58 2.15 -1.26 -4.49 116.67 120.76 2k53 s ASP 51 Ca 0.44 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 53.36 2k53 s ASP 51 Cb -0.11 -2.54 1.24 0.00 -0.30 0.00 0.00 42.92 41.21 2k53 s ASP 51 CO 0.25 -1.68 1.97 0.00 -0.17 0.00 0.00 175.17 175.53 2k53 h ALA 52 N 9.83 1.14 -0.06 3.66 0.00 -1.94 -2.85 119.26 129.04 2k53 h ALA 52 Ca -0.27 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k53 h ALA 52 Cb 1.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2k53 h ALA 52 CO 1.24 0.20 -0.08 0.22 0.00 0.00 0.00 179.25 180.83 2k53 h ASP 53 N 0.00 -0.24 -0.07 0.00 1.82 -2.00 -1.89 116.42 114.04 2k53 h ASP 53 Ca -0.00 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 2k53 h ASP 53 Cb 0.52 0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 2k53 h ASP 53 CO 0.02 -0.11 -0.09 0.11 -1.61 0.00 0.00 179.24 177.56 2k53 h LYS 54 N -0.11 0.19 -0.19 0.28 1.57 -1.96 -2.98 116.57 113.37 2k53 h LYS 54 Ca 0.05 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2k53 h LYS 54 Cb 0.18 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2k53 h LYS 54 CO -0.12 0.65 -0.21 1.25 -0.57 0.00 0.00 179.45 180.45 2k53 h LEU 55 N -0.25 -0.65 -0.89 2.94 5.85 -1.45 0.57 115.31 121.42 2k53 h LEU 55 Ca 0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2k53 h LEU 55 Cb 0.62 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2k53 h LEU 55 CO 0.02 -0.25 0.53 0.58 -0.34 0.00 0.00 178.44 178.98 2k53 h VAL 56 N -0.23 1.25 0.00 1.05 2.07 -1.44 -0.90 116.25 118.04 2k53 h VAL 56 Ca 0.12 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 2k53 h VAL 56 Cb 0.41 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2k53 h VAL 56 CO -0.33 0.27 -0.46 0.11 0.02 0.00 0.00 177.57 177.18 2k53 h LYS 57 N 1.24 0.00 -0.32 1.57 1.57 -1.22 0.51 116.57 119.92 2k53 h LYS 57 Ca 0.32 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.93 2k53 h LYS 57 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2k53 h LYS 57 CO -0.06 0.46 -0.48 0.93 -0.57 0.00 0.00 179.45 179.73 2k53 h GLU 58 N 0.00 0.86 -0.38 3.15 5.08 -0.39 -1.97 114.58 120.93 2k53 h GLU 58 Ca -0.00 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2k53 h GLU 58 Cb 0.84 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2k53 h GLU 58 CO 0.06 1.14 0.19 -0.07 -1.00 0.00 0.00 179.01 179.33 2k53 h LEU 59 N 0.68 0.28 0.14 1.33 3.38 -0.70 -2.25 115.31 118.18 2k53 h LEU 59 Ca 0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k53 h LEU 59 Cb 1.07 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2k53 h LEU 59 CO 0.11 0.21 -0.34 0.78 0.09 0.00 0.00 178.44 179.29 2k53 h ASN 60 N 0.39 -0.98 -0.73 -0.43 2.35 -0.85 -2.55 115.58 112.78 2k53 h ASN 60 Ca 0.16 0.11 0.16 0.00 -0.55 0.00 0.00 56.30 56.18 2k53 h ASN 60 Cb 0.07 0.37 -0.13 0.00 0.05 0.00 0.00 38.32 38.67 2k53 h ASN 60 CO -0.11 -0.43 -0.09 -0.33 -1.65 0.00 0.00 177.43 174.82 2k53 h GLU 61 N -0.58 0.05 -0.12 0.81 5.08 -1.22 -0.90 114.58 117.70 2k53 h GLU 61 Ca 0.02 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2k53 h GLU 61 Cb 0.60 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2k53 h GLU 61 CO -0.19 0.03 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.76 2k53 h TYR 62 N 0.05 -0.46 -0.71 4.33 3.20 -1.02 0.32 116.97 122.68 2k53 h TYR 62 Ca 0.38 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.22 2k53 h TYR 62 Cb 0.63 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2k53 h TYR 62 CO -0.50 -0.25 0.22 0.74 -1.64 0.00 0.00 178.16 176.73 2k53 h PHE 63 N -0.23 1.12 -0.28 -3.82 0.04 -0.99 -0.50 116.94 112.27 2k53 h PHE 63 Ca 0.09 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2k53 h PHE 63 Cb 0.37 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2k53 h PHE 63 CO -0.28 0.88 -0.03 0.93 -0.60 0.00 0.00 178.31 179.21 2k53 h GLU 64 N 1.04 0.43 -0.38 1.51 5.08 -0.58 -2.43 114.58 119.25 2k53 h GLU 64 Ca 0.23 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 2k53 h GLU 64 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k53 h GLU 64 CO -0.01 0.48 -0.32 0.87 -1.00 0.00 0.00 179.01 179.03 2k53 h LYS 65 N 0.41 0.85 -0.62 2.33 1.79 0.37 -3.24 116.57 118.46 2k53 h LYS 65 Ca 0.09 -0.41 0.07 0.00 -2.18 0.00 0.00 60.65 58.22 2k53 h LYS 65 Cb 0.32 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 2k53 h LYS 65 CO 0.01 1.05 0.31 0.87 -1.08 0.00 0.00 179.45 180.61 2k53 h LYS 66 N 0.71 0.55 0.00 3.15 1.57 -0.62 0.11 116.57 122.04 2k53 h LYS 66 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k53 h LYS 66 Cb 0.88 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2k53 h LYS 66 CO 0.08 0.36 0.00 0.39 -0.57 0.00 0.00 179.45 179.71 2k53 n GLU 67 N -4.87 0.06 -0.12 3.15 1.02 -1.14 -0.17 120.64 118.58 2k53 n GLU 67 Ca 0.08 0.49 -0.24 0.00 -0.02 0.00 0.00 57.16 57.47 2k53 n GLU 67 Cb 0.20 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 2k53 n GLU 67 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k53 n VAL 68 N -1.79 1.52 0.26 2.62 0.31 -0.15 -4.70 118.33 116.41 2k53 n VAL 68 Ca 0.00 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 2k53 n VAL 68 Cb 0.06 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 30.90 2k53 n VAL 68 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k53 h LEU 69 N -1.00 -0.55 0.00 7.52 3.38 -0.50 -3.52 115.31 120.64 2k53 h LEU 69 Ca -0.47 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2k53 h LEU 69 Cb 1.38 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2k53 h LEU 69 CO -0.29 -0.29 0.00 -0.62 0.09 0.00 0.00 178.44 177.34