#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 2.21 0.10 2.12 -0.14 -1.26 -4.81 119.74 117.97 2k53 s LYS 2 Ca 0.00 -0.87 -0.14 0.00 -1.36 0.00 0.00 55.97 53.60 2k53 s LYS 2 Cb 0.00 -2.16 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 2k53 s LYS 2 CO 0.00 0.58 0.50 0.42 -0.76 0.00 0.00 175.35 176.08 2k53 s ILE 3 N -0.69 4.92 0.41 2.17 -1.09 -1.26 -5.09 121.20 120.58 2k53 s ILE 3 Ca 0.11 0.78 0.07 0.00 -2.23 0.00 0.00 60.65 59.38 2k53 s ILE 3 Cb -0.10 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 2k53 s ILE 3 CO 0.00 0.33 0.06 0.42 -1.23 0.00 0.00 174.94 174.53 2k53 s THR 4 N -1.36 2.07 -0.90 2.92 -4.23 -1.26 -4.81 115.64 108.07 2k53 s THR 4 Ca 0.34 -1.90 0.28 0.00 -1.18 0.00 0.00 61.69 59.22 2k53 s THR 4 Cb -0.15 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.94 2k53 s THR 4 CO 0.18 0.00 1.83 2.29 -0.54 0.00 0.00 174.62 178.38 2k53 n LYS 5 N -1.06 0.10 0.13 3.99 2.85 -1.26 -3.26 118.16 119.65 2k53 n LYS 5 Ca -0.04 0.08 0.02 0.00 -1.05 0.00 0.00 58.31 57.31 2k53 n LYS 5 Cb 0.66 -1.61 0.01 0.00 -0.65 0.00 0.00 35.03 33.44 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 -4.21 -5.58 3.58 -1.95 -1.41 116.42 106.85 2k53 h ASP 6 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2k53 h ASP 6 Cb 0.59 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.81 2k53 h ASP 6 CO 0.00 0.54 0.25 -0.04 -2.88 0.00 0.00 179.24 177.11 2k53 s MET 7 N -2.94 1.41 -0.07 0.28 -1.94 -1.20 -4.69 119.30 110.14 2k53 s MET 7 Ca 0.03 1.28 -0.23 0.00 -1.71 0.00 0.00 55.69 55.07 2k53 s MET 7 Cb 0.08 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.09 2k53 s MET 7 CO 0.75 -2.27 0.69 0.42 -0.01 0.00 0.00 175.02 174.60 2k53 s ILE 8 N -2.77 5.05 0.20 2.53 -1.09 -1.26 -1.45 121.20 122.41 2k53 s ILE 8 Ca 0.64 1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 60.37 2k53 s ILE 8 Cb -0.20 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.77 2k53 s ILE 8 CO 0.57 0.25 1.75 0.40 -1.23 0.00 0.00 174.94 176.68 2k53 h ILE 9 N 4.77 0.81 -0.38 2.92 2.04 -0.97 -0.04 117.51 126.66 2k53 h ILE 9 Ca -0.41 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2k53 h ILE 9 Cb 1.19 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2k53 h ILE 9 CO 0.76 0.07 0.07 0.00 0.00 0.00 0.00 178.15 179.05 2k53 h ALA 10 N 1.38 1.42 -0.56 1.87 0.00 -0.43 -1.68 119.26 121.25 2k53 h ALA 10 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k53 h ALA 10 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k53 h ALA 10 CO -0.27 0.42 0.10 0.22 0.00 0.00 0.00 179.25 179.72 2k53 h ASP 11 N 0.55 0.88 -0.69 0.00 1.82 -1.35 -2.28 116.42 115.35 2k53 h ASP 11 Ca 0.13 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.49 2k53 h ASP 11 Cb 0.25 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 2k53 h ASP 11 CO -0.00 0.91 0.35 0.58 -1.61 0.00 0.00 179.24 179.48 2k53 h VAL 12 N 0.82 1.22 0.00 2.25 2.07 -0.61 -1.71 116.25 120.29 2k53 h VAL 12 Ca 0.17 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2k53 h VAL 12 Cb 0.40 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2k53 h VAL 12 CO 0.01 0.26 -0.08 -0.07 0.02 0.00 0.00 177.57 177.71 2k53 h LEU 13 N 1.00 0.00 -1.43 2.57 3.38 -0.93 -1.06 115.31 118.84 2k53 h LEU 13 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 2k53 h LEU 13 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k53 h LEU 13 CO -0.03 0.08 -0.23 1.56 0.09 0.00 0.00 178.44 179.91 2k53 h GLN 14 N 0.00 0.00 0.09 1.13 4.20 -0.75 -3.12 115.11 116.66 2k53 h GLN 14 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k53 h GLN 14 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2k53 h GLN 14 CO 0.01 0.23 -0.04 0.52 -0.67 0.00 0.00 178.83 178.88 2k53 h MET 15 N 0.00 -0.11 -2.40 1.46 2.86 -1.11 -3.47 114.93 112.16 2k53 h MET 15 Ca -0.00 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2k53 h MET 15 Cb 0.59 0.03 -0.25 0.00 0.06 0.00 0.00 31.60 32.03 2k53 h MET 15 CO 0.03 0.40 -0.25 0.34 1.06 0.00 0.00 176.91 178.49 2k53 s ASP 16 N -5.69 -0.57 0.49 1.22 -1.08 -0.92 -5.03 116.67 105.10 2k53 s ASP 16 Ca -0.12 1.13 0.33 0.00 -0.52 0.00 0.00 52.55 53.37 2k53 s ASP 16 Cb -0.00 1.33 1.59 0.00 -1.46 0.00 0.00 42.92 44.37 2k53 s ASP 16 CO 0.47 -0.22 2.00 0.03 0.52 0.00 0.00 175.17 177.97 2k53 h ARG 17 N 7.66 0.00 0.00 4.34 2.47 -1.84 -2.67 114.38 124.35 2k53 h ARG 17 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2k53 h ARG 17 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2k53 h ARG 17 CO 0.18 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.12 2k53 n GLY 18 N -0.53 -0.73 0.16 0.04 0.00 -1.26 -1.54 105.19 101.34 2k53 n GLY 18 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.51 -0.09 2.61 1.35 -1.83 -3.37 112.91 112.09 2k53 h THR 19 Ca 0.00 -1.74 0.03 0.00 -0.55 0.00 0.00 66.41 64.15 2k53 h THR 19 Cb 0.13 2.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 2k53 h THR 19 CO 0.00 0.29 -0.14 0.00 -0.25 0.00 0.00 175.52 175.43 2k53 h ALA 20 N 1.69 -0.09 -0.09 6.62 0.00 -1.50 -0.81 119.26 125.07 2k53 h ALA 20 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k53 h ALA 20 Cb 1.25 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2k53 h ALA 20 CO 0.04 -0.60 0.10 -1.00 0.00 0.00 0.00 179.25 177.78 2k53 h PRO 21 N -0.19 0.00 -0.18 0.00 0.13 -1.77 0.20 132.00 130.19 2k53 h PRO 21 Ca 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.03 2k53 h PRO 21 Cb 0.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.43 2k53 h PRO 21 CO -0.20 0.00 -0.56 0.82 -0.23 0.00 0.00 178.00 177.83 2k53 h ILE 22 N 0.00 1.31 -0.01 -3.56 2.04 -1.39 0.19 117.51 116.10 2k53 h ILE 22 Ca 0.04 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.11 2k53 h ILE 22 Cb 0.24 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2k53 h ILE 22 CO -0.00 0.56 0.00 -0.26 0.00 0.00 0.00 178.15 178.45 2k53 h PHE 23 N 0.39 0.01 -0.78 1.37 0.04 -0.12 -2.75 116.94 115.10 2k53 h PHE 23 Ca -0.02 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.78 2k53 h PHE 23 Cb 1.18 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 2k53 h PHE 23 CO 0.09 0.10 0.52 0.82 -0.60 0.00 0.00 178.31 179.24 2k53 h ILE 24 N -0.09 1.14 -0.62 -0.55 2.04 -1.01 -2.02 117.51 116.41 2k53 h ILE 24 Ca 0.00 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.64 2k53 h ILE 24 Cb 0.09 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.16 2k53 h ILE 24 CO -0.00 0.18 0.16 -1.13 0.00 0.00 0.00 178.15 177.36 2k53 h ASN 25 N 0.99 0.06 -0.01 1.72 -1.24 -0.38 -0.98 115.58 115.74 2k53 h ASN 25 Ca 0.31 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.42 2k53 h ASN 25 Cb -0.00 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2k53 h ASN 25 CO -0.08 0.04 0.00 0.59 -1.29 0.00 0.00 177.43 176.68 2k53 n ASN 26 N -5.10 0.19 0.00 1.15 3.02 -0.88 -4.86 115.26 108.79 2k53 n ASN 26 Ca 0.09 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2k53 n ASN 26 Cb 0.32 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.95 1.36 3.79 7.41 0.00 -0.37 -4.89 105.19 113.43 2k53 n GLY 27 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 2.16 -0.10 1.61 -1.94 -0.82 -4.98 119.30 114.93 2k53 s MET 28 Ca 0.00 0.79 -0.09 0.00 -1.71 0.00 0.00 55.69 54.68 2k53 s MET 28 Cb 0.00 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 34.95 2k53 s MET 28 CO 0.00 -1.61 0.27 -3.38 -0.01 0.00 0.00 175.02 170.29 2k53 s HIS 29 N -3.07 -0.31 -0.29 -0.03 -3.43 -1.26 -4.52 115.29 102.38 2k53 s HIS 29 Ca 0.61 0.75 -0.16 0.00 -0.80 0.00 0.00 55.06 55.45 2k53 s HIS 29 Cb -0.15 0.10 0.13 0.00 -1.43 0.00 0.00 32.58 31.23 2k53 s HIS 29 CO 0.55 -0.16 0.89 0.00 -2.00 0.00 0.00 174.74 174.02 2k53 n LEU 31 N 4.04 4.26 -0.25 0.00 -0.00 -1.26 -4.80 117.00 118.99 2k53 n LEU 31 Ca -0.18 -4.22 0.00 0.00 -0.00 0.00 0.00 56.01 51.61 2k53 n LEU 31 Cb 0.57 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2k53 n LEU 31 CO 0.00 1.64 0.00 0.61 -0.00 0.00 0.00 177.39 179.64 2k53 n GLY 32 N -0.96 0.92 3.71 -3.96 0.00 -1.26 -5.10 105.19 98.54 2k53 n GLY 32 Ca 0.35 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 6.33 -0.98 -5.13 0.00 0.11 -1.98 -3.14 132.00 127.21 2k53 h PRO 34 Ca -0.42 0.07 -0.37 0.00 0.11 0.00 0.00 66.00 65.39 2k53 h PRO 34 Cb 1.17 0.22 0.01 0.00 0.11 0.00 0.00 31.00 32.51 2k53 h PRO 34 CO 0.70 -0.65 1.19 0.43 -0.21 0.00 0.00 178.00 179.45 2k53 n SER 35 N -5.47 2.44 0.00 -2.05 7.64 -1.26 -1.24 113.62 113.68 2k53 n SER 35 Ca -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2k53 n SER 35 Cb 0.46 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2k53 n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k53 n SER 36 N 13.35 0.00 -0.01 6.43 2.88 -1.26 -4.92 113.62 130.09 2k53 n SER 36 Ca 0.45 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 2k53 n SER 36 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2k53 n SER 36 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2k53 n MET 37 N 0.00 0.07 0.00 -1.46 2.81 -0.37 -4.66 117.12 113.51 2k53 n MET 37 Ca 0.00 0.03 0.04 0.00 -1.81 0.00 0.00 57.70 55.96 2k53 n MET 37 Cb 0.00 -0.55 0.26 0.00 -0.71 0.00 0.00 33.22 32.22 2k53 n MET 37 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k53 n GLY 38 N 1.85 -0.45 3.82 3.03 0.00 -0.96 0.24 105.19 112.73 2k53 n GLY 38 Ca -0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.83 0.63 1.61 2.02 -1.26 -4.86 118.70 117.68 2k53 s GLU 39 Ca 0.13 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.81 2k53 s GLU 39 Cb 0.06 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 2k53 s GLU 39 CO 0.10 0.30 1.13 -1.12 0.02 0.00 0.00 175.26 175.70 2k53 s SER 40 N -3.88 5.19 0.16 -0.19 0.01 -1.26 -0.89 113.70 112.83 2k53 s SER 40 Ca 0.35 2.12 -0.19 0.00 1.31 0.00 0.00 55.95 59.54 2k53 s SER 40 Cb -0.07 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.66 2k53 s SER 40 CO 0.25 -1.58 1.65 0.40 0.41 0.00 0.00 173.24 174.37 2k53 h ILE 41 N 0.40 0.52 -0.17 1.44 5.03 -1.10 0.13 117.51 123.76 2k53 h ILE 41 Ca -0.48 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.14 2k53 h ILE 41 Cb 1.26 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 35.56 2k53 h ILE 41 CO 0.54 0.00 -0.40 1.05 -0.68 0.00 0.00 178.15 178.67 2k53 h GLU 42 N -0.10 0.38 -0.17 2.37 4.11 -1.55 -0.95 114.58 118.66 2k53 h GLU 42 Ca 0.17 -0.18 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2k53 h GLU 42 Cb 0.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k53 h GLU 42 CO -0.39 0.72 0.01 0.22 0.07 0.00 0.00 179.01 179.64 2k53 h ASP 43 N 0.32 0.29 -0.05 3.06 3.58 -1.58 -1.78 116.42 120.27 2k53 h ASP 43 Ca 0.03 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 2k53 h ASP 43 Cb 0.84 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 2k53 h ASP 43 CO 0.07 0.51 -0.05 0.00 -2.88 0.00 0.00 179.24 176.89 2k53 h ALA 44 N 0.79 0.07 -0.84 -0.78 0.00 -0.76 -3.25 119.26 114.49 2k53 h ALA 44 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2k53 h ALA 44 Cb 0.36 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2k53 h ALA 44 CO 0.01 -0.13 0.50 0.00 0.00 0.00 0.00 179.25 179.63 2k53 h ALA 46 N 1.44 2.01 -0.09 0.00 0.00 -1.36 0.27 119.26 121.53 2k53 h ALA 46 Ca 0.39 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2k53 h ALA 46 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k53 h ALA 46 CO -0.22 -0.15 -0.10 0.28 0.00 0.00 0.00 179.25 179.06 2k53 h VAL 47 N 0.41 0.71 0.00 0.00 2.07 -1.36 -2.71 116.25 115.38 2k53 h VAL 47 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2k53 h VAL 47 Cb 0.54 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2k53 h VAL 47 CO -0.08 0.00 -0.75 -0.74 0.02 0.00 0.00 177.57 176.02 2k53 h HIS 48 N -0.13 0.00 0.00 1.57 2.76 -1.60 -3.48 115.15 114.28 2k53 h HIS 48 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k53 h HIS 48 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2k53 h HIS 48 CO -0.21 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 176.83 2k53 n GLY 49 N 1.17 1.34 3.80 5.26 0.00 0.61 -5.09 105.19 112.28 2k53 n GLY 49 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.93 -0.90 -0.61 1.01 0.60 -4.96 121.20 118.28 2k53 s ILE 50 Ca 0.00 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 61.72 2k53 s ILE 50 Cb 0.00 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.90 2k53 s ILE 50 CO 0.00 -0.15 1.45 -0.62 0.00 0.00 0.00 174.94 175.62 2k53 s ASP 51 N -1.86 6.23 0.52 3.58 -1.08 -1.26 -4.44 116.67 118.36 2k53 s ASP 51 Ca 0.62 -0.97 0.28 0.00 -0.52 0.00 0.00 52.55 51.96 2k53 s ASP 51 Cb -0.17 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.17 2k53 s ASP 51 CO 0.21 -1.75 2.06 0.00 0.52 0.00 0.00 175.17 176.21 2k53 h ALA 52 N 10.22 1.21 -0.37 3.66 0.00 -1.92 -2.97 119.26 129.10 2k53 h ALA 52 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k53 h ALA 52 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2k53 h ALA 52 CO 1.35 0.14 0.19 0.22 0.00 0.00 0.00 179.25 181.15 2k53 h ASP 53 N 0.00 0.48 -0.20 0.00 3.58 -1.97 0.04 116.42 118.34 2k53 h ASP 53 Ca -0.00 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2k53 h ASP 53 Cb 0.37 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2k53 h ASP 53 CO 0.01 0.46 -0.02 0.11 -2.88 0.00 0.00 179.24 176.92 2k53 h LYS 54 N 0.46 0.38 -0.22 0.28 1.57 -1.95 -2.77 116.57 114.32 2k53 h LYS 54 Ca 0.13 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2k53 h LYS 54 Cb 0.10 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2k53 h LYS 54 CO -0.02 0.60 -0.16 1.25 -0.57 0.00 0.00 179.45 180.55 2k53 h LEU 55 N 0.12 -0.52 -0.54 2.94 5.85 -1.36 -0.86 115.31 120.93 2k53 h LEU 55 Ca 0.05 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2k53 h LEU 55 Cb 0.45 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2k53 h LEU 55 CO 0.02 -0.20 0.29 0.58 -0.34 0.00 0.00 178.44 178.79 2k53 h VAL 56 N -0.16 0.98 -0.56 1.05 2.07 -1.03 -1.28 116.25 117.32 2k53 h VAL 56 Ca 0.13 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2k53 h VAL 56 Cb 0.35 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2k53 h VAL 56 CO -0.32 0.10 0.31 0.11 0.02 0.00 0.00 177.57 177.80 2k53 h LYS 57 N 0.56 0.59 -0.93 1.57 1.57 -1.11 -0.06 116.57 118.76 2k53 h LYS 57 Ca 0.24 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2k53 h LYS 57 Cb 0.12 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2k53 h LYS 57 CO -0.15 0.39 0.61 0.93 -0.57 0.00 0.00 179.45 180.65 2k53 h GLU 58 N 0.60 1.15 0.05 3.15 5.08 -0.67 -0.14 114.58 123.80 2k53 h GLU 58 Ca 0.24 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2k53 h GLU 58 Cb 0.11 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2k53 h GLU 58 CO -0.14 0.76 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.54 2k53 h LEU 59 N 1.19 -0.05 0.34 1.33 3.38 -0.40 -1.70 115.31 119.39 2k53 h LEU 59 Ca 0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2k53 h LEU 59 Cb -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k53 h LEU 59 CO -0.11 -0.03 -0.27 0.78 0.09 0.00 0.00 178.44 178.90 2k53 h ASN 60 N -0.07 -0.71 -0.91 -0.43 2.35 -0.65 -2.06 115.58 113.10 2k53 h ASN 60 Ca -0.01 0.06 0.19 0.00 -0.55 0.00 0.00 56.30 55.99 2k53 h ASN 60 Cb 0.05 0.23 -0.11 0.00 0.05 0.00 0.00 38.32 38.55 2k53 h ASN 60 CO 0.01 -0.41 0.48 -0.33 -1.65 0.00 0.00 177.43 175.53 2k53 h GLU 61 N -0.62 0.55 0.25 0.81 5.08 -1.03 -0.24 114.58 119.39 2k53 h GLU 61 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k53 h GLU 61 Cb 0.54 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k53 h GLU 61 CO -0.02 0.37 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.27 2k53 h TYR 62 N 0.57 -0.45 -0.86 4.33 3.20 -0.86 -0.37 116.97 122.54 2k53 h TYR 62 Ca 0.54 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.40 2k53 h TYR 62 Cb 0.91 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2k53 h TYR 62 CO -0.08 -0.27 0.51 0.74 -1.64 0.00 0.00 178.16 177.43 2k53 h PHE 63 N -0.41 1.13 -0.93 -3.82 0.04 -0.65 -1.78 116.94 110.52 2k53 h PHE 63 Ca -0.02 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.79 2k53 h PHE 63 Cb 0.36 -0.37 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 2k53 h PHE 63 CO -0.10 0.76 0.60 0.93 -0.60 0.00 0.00 178.31 179.89 2k53 h GLU 64 N 1.19 1.12 -0.80 1.51 5.08 -0.77 -0.93 114.58 120.97 2k53 h GLU 64 Ca 0.31 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2k53 h GLU 64 Cb -0.04 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 28.88 2k53 h GLU 64 CO -0.06 0.74 0.44 0.87 -1.00 0.00 0.00 179.01 180.00 2k53 h LYS 65 N 1.15 0.70 -0.21 2.33 1.79 -0.18 0.49 116.57 122.64 2k53 h LYS 65 Ca 0.38 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 2k53 h LYS 65 Cb 0.03 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2k53 h LYS 65 CO -0.13 0.46 0.09 0.87 -1.08 0.00 0.00 179.45 179.67 2k53 h LYS 66 N 0.72 0.31 0.00 3.15 1.57 -1.01 0.69 116.57 122.00 2k53 h LYS 66 Ca 0.40 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2k53 h LYS 66 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k53 h LYS 66 CO -0.27 0.35 0.00 0.93 -0.57 0.00 0.00 179.45 179.89 2k53 h GLU 67 N 0.20 0.00 0.00 3.15 5.08 -0.27 -1.53 114.58 121.21 2k53 h GLU 67 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2k53 h GLU 67 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k53 h GLU 67 CO -0.01 0.00 -0.83 0.28 -1.00 0.00 0.00 179.01 177.45 2k53 n VAL 68 N -2.66 1.46 0.10 3.13 0.31 0.08 -4.74 118.33 116.01 2k53 n VAL 68 Ca -0.00 0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.33 2k53 n VAL 68 Cb 0.17 -2.27 -0.08 0.00 -0.91 0.00 0.00 33.84 30.76 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 -0.26 0.00 7.52 3.38 -0.82 -3.51 115.31 120.61 2k53 h LEU 69 Ca -0.13 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k53 h LEU 69 Cb 0.81 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k53 h LEU 69 CO -0.08 0.21 0.00 -0.62 0.09 0.00 0.00 178.44 178.04