#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz3 s LEU 6 N 0.00 4.34 0.83 -3.43 1.02 -1.26 -5.07 118.68 115.10 3kz3 s LEU 6 Ca 0.00 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.14 3kz3 s LEU 6 Cb 0.00 -3.30 0.09 0.00 0.02 0.00 0.00 46.19 43.00 3kz3 s LEU 6 CO 0.00 0.10 1.16 0.42 0.02 0.00 0.00 176.35 178.04 3kz3 s THR 7 N -1.47 2.19 0.26 5.49 -4.23 -1.26 -4.81 115.64 111.81 3kz3 s THR 7 Ca 0.38 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3kz3 s THR 7 Cb -0.15 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.96 3kz3 s THR 7 CO 0.19 -0.08 1.93 -0.61 -0.54 0.00 0.00 174.62 175.52 3kz3 h GLN 8 N -1.13 1.24 -0.77 3.99 4.15 -1.99 -0.45 115.11 120.15 3kz3 h GLN 8 Ca -0.47 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 58.81 3kz3 h GLN 8 Cb 1.32 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 3kz3 h GLN 8 CO 0.64 0.83 0.27 1.49 -1.93 0.00 0.00 178.83 180.14 3kz3 h GLU 9 N 1.28 1.18 -0.46 1.69 4.57 -1.99 -0.29 114.58 120.56 3kz3 h GLU 9 Ca 0.34 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3kz3 h GLU 9 Cb -0.13 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.26 3kz3 h GLU 9 CO -0.07 0.98 0.11 1.96 -1.18 0.00 0.00 179.01 180.81 3kz3 h GLN 10 N 1.14 0.69 -0.17 1.92 4.20 -1.71 -0.17 115.11 121.00 3kz3 h GLN 10 Ca 0.25 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3kz3 h GLN 10 Cb 0.27 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3kz3 h GLN 10 CO -0.01 0.63 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.25 3kz3 h LEU 11 N 0.67 0.47 -0.57 1.46 3.38 -0.49 -2.33 115.31 117.89 3kz3 h LEU 11 Ca 0.15 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3kz3 h LEU 11 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kz3 h LEU 11 CO -0.00 0.86 -0.45 -0.33 0.09 0.00 0.00 178.44 178.61 3kz3 h GLU 12 N 0.35 0.63 -0.48 1.13 4.39 -0.61 -0.89 114.58 119.11 3kz3 h GLU 12 Ca 0.02 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.41 3kz3 h GLU 12 Cb 0.94 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 3kz3 h GLU 12 CO 0.08 0.95 0.25 -0.44 -1.16 0.00 0.00 179.01 178.69 3kz3 h ASP 13 N 0.51 0.38 -0.34 1.42 3.32 -0.86 0.30 116.42 121.15 3kz3 h ASP 13 Ca 0.03 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3kz3 h ASP 13 Cb 0.98 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3kz3 h ASP 13 CO 0.09 0.27 0.13 0.00 -1.72 0.00 0.00 179.24 178.01 3kz3 h ALA 14 N 1.24 0.44 -0.27 3.45 0.00 -1.24 0.38 119.26 123.26 3kz3 h ALA 14 Ca 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kz3 h ALA 14 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kz3 h ALA 14 CO -0.13 0.04 0.06 -0.09 0.00 0.00 0.00 179.25 179.14 3kz3 h ARG 15 N 0.40 0.16 -0.53 0.00 2.43 -0.82 0.26 114.38 116.27 3kz3 h ARG 15 Ca 0.11 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3kz3 h ARG 15 Cb 0.19 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3kz3 h ARG 15 CO -0.01 0.11 0.09 0.00 -1.51 0.00 0.00 179.97 178.64 3kz3 h ARG 16 N 0.17 0.85 -0.14 0.20 3.08 -0.76 -1.32 114.38 116.45 3kz3 h ARG 16 Ca 0.12 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3kz3 h ARG 16 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kz3 h ARG 16 CO -0.15 0.79 0.05 1.25 -1.07 0.00 0.00 179.97 180.84 3kz3 h LEU 17 N 0.81 0.20 -1.25 3.04 5.85 -0.19 -2.40 115.31 121.37 3kz3 h LEU 17 Ca 0.17 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3kz3 h LEU 17 Cb 0.36 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3kz3 h LEU 17 CO 0.01 0.33 0.53 0.50 -0.34 0.00 0.00 178.44 179.47 3kz3 h LYS 18 N 0.05 0.93 -0.61 1.25 3.64 -0.23 -1.01 116.57 120.59 3kz3 h LYS 18 Ca 0.05 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3kz3 h LYS 18 Cb 0.20 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kz3 h LYS 18 CO -0.00 0.61 0.09 0.00 -2.27 0.00 0.00 179.45 177.89 3kz3 h ALA 19 N 1.54 1.02 -0.33 5.00 0.00 -1.04 -1.18 119.26 124.28 3kz3 h ALA 19 Ca 0.33 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3kz3 h ALA 19 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kz3 h ALA 19 CO -0.10 0.62 -0.38 0.82 0.00 0.00 0.00 179.25 180.21 3kz3 h ILE 20 N 0.93 1.28 -0.16 0.00 2.04 -0.81 -1.67 117.51 119.12 3kz3 h ILE 20 Ca 0.19 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.53 3kz3 h ILE 20 Cb 0.41 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3kz3 h ILE 20 CO 0.01 0.51 -0.03 -0.25 0.00 0.00 0.00 178.15 178.39 3kz3 h TRP 21 N 0.64 -0.06 -0.90 1.37 2.91 -0.87 -0.06 115.95 118.99 3kz3 h TRP 21 Ca 0.06 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3kz3 h TRP 21 Cb 0.93 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.59 3kz3 h TRP 21 CO 0.05 -0.06 0.58 0.93 -1.03 0.00 0.00 178.44 178.91 3kz3 h GLU 22 N 0.01 1.19 -0.21 2.65 4.39 -1.16 0.23 114.58 121.69 3kz3 h GLU 22 Ca 0.08 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 3kz3 h GLU 22 Cb 0.11 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3kz3 h GLU 22 CO -0.15 0.80 -0.49 0.87 -1.16 0.00 0.00 179.01 178.88 3kz3 h LYS 23 N 1.22 0.56 0.00 2.33 1.57 -0.66 -3.39 116.57 118.20 3kz3 h LYS 23 Ca 0.33 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kz3 h LYS 23 Cb -0.11 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kz3 h LYS 23 CO -0.07 0.93 -0.71 1.63 -0.57 0.00 0.00 179.45 180.66 3kz3 n LYS 24 N -3.98 2.98 -0.34 3.15 5.02 -0.09 -4.72 118.16 120.18 3kz3 n LYS 24 Ca -0.03 -0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3kz3 n LYS 24 Cb 0.57 -0.94 0.13 0.00 -0.02 0.00 0.00 35.03 34.77 3kz3 n LYS 24 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3kz3 h LYS 25 N 0.00 1.12 -0.18 1.97 2.10 -1.14 -1.57 116.57 118.87 3kz3 h LYS 25 Ca 0.00 -0.07 -0.14 0.00 -2.00 0.00 0.00 60.65 58.44 3kz3 h LYS 25 Cb 0.21 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3kz3 h LYS 25 CO 0.00 0.74 -0.43 -0.91 -2.00 0.00 0.00 179.45 176.85 3kz3 h ASN 26 N 1.15 0.69 0.28 7.07 4.21 -1.84 -0.41 115.58 126.72 3kz3 h ASN 26 Ca 0.38 -0.57 -0.08 0.00 1.21 0.00 0.00 56.30 57.23 3kz3 h ASN 26 Cb 0.04 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.03 3kz3 h ASN 26 CO -0.13 1.13 -0.34 1.05 -1.29 0.00 0.00 177.43 177.85 3kz3 h GLU 27 N 0.27 0.10 -0.00 0.81 4.11 -1.81 -1.97 114.58 116.08 3kz3 h GLU 27 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3kz3 h GLU 27 Cb 1.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kz3 h GLU 27 CO 0.09 0.44 -0.19 1.28 0.07 0.00 0.00 179.01 180.70 3kz3 n LEU 28 N -4.11 0.68 -1.00 3.06 4.77 -0.61 -4.95 117.00 114.84 3kz3 n LEU 28 Ca -0.02 -0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 3kz3 n LEU 28 Cb 0.40 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kz3 n LEU 28 CO 0.39 0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 177.15 3kz3 n GLY 29 N 1.32 0.18 3.87 -0.72 0.00 -0.74 -5.02 105.19 104.08 3kz3 n GLY 29 Ca 0.13 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3kz3 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kz3 s LEU 30 N -2.32 4.30 0.08 0.99 1.43 -0.24 -5.05 118.68 117.88 3kz3 s LEU 30 Ca 0.05 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 3kz3 s LEU 30 Cb -0.02 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3kz3 s LEU 30 CO 0.07 0.10 -0.08 -0.94 0.23 0.00 0.00 176.35 175.73 3kz3 s SER 31 N -1.98 1.14 0.38 2.29 1.04 -1.26 -4.73 113.70 110.58 3kz3 s SER 31 Ca 0.38 -0.84 0.12 0.00 0.48 0.00 0.00 55.95 56.09 3kz3 s SER 31 Cb -0.13 0.06 0.92 0.00 0.10 0.00 0.00 66.02 66.96 3kz3 s SER 31 CO 0.20 -0.35 1.87 1.88 0.98 0.00 0.00 173.24 177.82 3kz3 h TYR 32 N 3.52 0.71 -0.24 5.02 -1.99 -1.99 -1.03 116.97 120.98 3kz3 h TYR 32 Ca -0.36 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.23 3kz3 h TYR 32 Cb 1.18 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.69 3kz3 h TYR 32 CO 0.62 0.24 -0.48 1.05 -0.00 0.00 0.00 178.16 179.59 3kz3 h GLU 33 N 0.58 0.75 -0.15 4.88 9.09 -1.96 0.13 114.58 127.90 3kz3 h GLU 33 Ca 0.45 -0.48 -0.16 0.00 0.05 0.00 0.00 59.36 59.21 3kz3 h GLU 33 Cb 0.86 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 3kz3 h GLU 33 CO -0.19 1.11 -0.58 0.66 0.05 0.00 0.00 179.01 180.06 3kz3 h SER 34 N 0.48 0.54 -0.28 3.06 4.64 -1.81 -1.07 113.55 119.10 3kz3 h SER 34 Ca 0.01 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3kz3 h SER 34 Cb 1.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3kz3 h SER 34 CO 0.11 1.00 0.03 0.58 -0.87 0.00 0.00 176.83 177.67 3kz3 h VAL 35 N 0.36 1.24 -0.84 0.95 2.07 -1.18 -2.14 116.25 116.71 3kz3 h VAL 35 Ca 0.00 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3kz3 h VAL 35 Cb 1.11 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3kz3 h VAL 35 CO 0.10 0.27 0.52 0.00 0.02 0.00 0.00 177.57 178.48 3kz3 h ALA 36 N 0.85 1.16 -0.66 1.67 0.00 -0.55 -0.39 119.26 121.34 3kz3 h ALA 36 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kz3 h ALA 36 Cb 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kz3 h ALA 36 CO 0.01 0.25 0.28 -0.44 0.00 0.00 0.00 179.25 179.36 3kz3 h ASP 37 N 0.94 0.89 0.07 0.00 5.19 -1.09 -1.27 116.42 121.15 3kz3 h ASP 37 Ca 0.37 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.54 3kz3 h ASP 37 Cb 0.18 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3kz3 h ASP 37 CO -0.18 0.80 -0.25 0.11 -3.12 0.00 0.00 179.24 176.61 3kz3 h LYS 38 N 0.92 0.31 -0.04 3.56 1.57 -0.63 -2.81 116.57 119.45 3kz3 h LYS 38 Ca 0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kz3 h LYS 38 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kz3 h LYS 38 CO -0.02 0.54 0.00 -1.33 -0.57 0.00 0.00 179.45 178.07 3kz3 n MET 39 N -4.15 1.51 -2.38 3.15 2.81 -0.24 -4.93 117.12 112.88 3kz3 n MET 39 Ca -0.01 -0.74 -0.19 0.00 -1.81 0.00 0.00 57.70 54.95 3kz3 n MET 39 Cb 0.37 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3kz3 n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kz3 n GLY 40 N 1.10 -0.41 3.30 3.03 0.00 -0.54 -4.97 105.19 106.71 3kz3 n GLY 40 Ca 0.19 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3kz3 n GLY 40 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kz3 s MET 41 N -4.96 1.70 0.54 1.61 0.23 -0.81 -5.05 119.30 112.56 3kz3 s MET 41 Ca 0.01 -1.99 -0.03 0.00 -1.03 0.00 0.00 55.69 52.65 3kz3 s MET 41 Cb -0.00 0.19 0.01 0.00 -1.53 0.00 0.00 34.83 33.49 3kz3 s MET 41 CO 0.01 -0.59 0.82 0.20 -2.03 0.00 0.00 175.02 173.43 3kz3 s GLY 42 N -3.37 1.61 0.30 3.16 0.00 -1.26 -4.25 107.32 103.50 3kz3 s GLY 42 Ca 0.38 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 44.25 3kz3 s GLY 42 CO 0.24 -0.63 1.81 -1.61 0.00 0.00 0.00 173.10 172.91 3kz3 h GLN 43 N 0.02 0.60 -0.01 2.90 -0.00 -1.93 -2.42 115.11 114.26 3kz3 h GLN 43 Ca -0.45 -0.15 -0.09 0.00 -0.00 0.00 0.00 58.65 57.95 3kz3 h GLN 43 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 3kz3 h GLN 43 CO 0.59 0.65 -0.42 0.77 0.00 0.00 0.00 178.83 180.42 3kz3 h SER 44 N 0.56 0.03 -0.18 -0.69 0.02 -1.96 -1.78 113.55 109.56 3kz3 h SER 44 Ca 0.11 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 3kz3 h SER 44 Cb 0.42 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3kz3 h SER 44 CO 0.02 0.45 -0.30 0.00 -1.14 0.00 0.00 176.83 175.86 3kz3 h ALA 45 N 1.55 0.88 -0.08 3.77 0.00 -1.84 -0.04 119.26 123.50 3kz3 h ALA 45 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3kz3 h ALA 45 Cb 0.76 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kz3 h ALA 45 CO 0.06 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.24 3kz3 h VAL 46 N 0.58 1.17 -0.90 0.00 2.07 -1.14 -2.53 116.25 115.50 3kz3 h VAL 46 Ca 0.07 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3kz3 h VAL 46 Cb 0.80 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 3kz3 h VAL 46 CO 0.07 0.14 0.59 0.00 0.02 0.00 0.00 177.57 178.39 3kz3 h ALA 47 N 0.84 1.48 -0.50 1.67 0.00 -1.18 -1.38 119.26 120.19 3kz3 h ALA 47 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kz3 h ALA 47 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kz3 h ALA 47 CO -0.00 0.40 0.31 0.00 0.00 0.00 0.00 179.25 179.96 3kz3 h ALA 48 N 1.50 1.60 -0.15 0.00 0.00 -0.77 0.18 119.26 121.61 3kz3 h ALA 48 Ca 0.37 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3kz3 h ALA 48 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kz3 h ALA 48 CO -0.13 0.36 -0.35 -0.07 0.00 0.00 0.00 179.25 179.05 3kz3 h LEU 49 N 0.69 0.58 -1.08 0.00 3.38 -0.84 0.42 115.31 118.45 3kz3 h LEU 49 Ca 0.18 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3kz3 h LEU 49 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3kz3 h LEU 49 CO -0.04 1.04 0.26 -0.26 0.09 0.00 0.00 178.44 179.54 3kz3 h PHE 50 N 0.14 0.92 -0.24 1.13 0.04 -0.89 -3.08 116.94 114.96 3kz3 h PHE 50 Ca -0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3kz3 h PHE 50 Cb 0.96 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.83 3kz3 h PHE 50 CO 0.10 0.70 0.00 0.09 -0.60 0.00 0.00 178.31 178.60 3kz3 n ASN 51 N -4.32 1.89 -1.13 2.17 3.02 0.58 -4.39 115.26 113.08 3kz3 n ASN 51 Ca 0.06 -1.81 -0.10 0.00 -0.03 0.00 0.00 54.58 52.70 3kz3 n ASN 51 Cb 0.16 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3kz3 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kz3 n GLY 52 N 1.15 -0.02 0.14 7.41 0.00 -1.05 -4.93 105.19 107.89 3kz3 n GLY 52 Ca 0.15 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3kz3 n GLY 52 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kz3 n ILE 53 N -4.00 1.73 -4.67 -0.61 5.41 0.11 -4.85 119.36 112.48 3kz3 n ILE 53 Ca -0.11 -0.62 -0.31 0.00 1.00 0.00 0.00 62.75 62.71 3kz3 n ILE 53 Cb 0.58 -1.69 -0.13 0.00 -0.71 0.00 0.00 39.64 37.70 3kz3 n ILE 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3kz3 s ASN 54 N -6.95 3.81 0.46 4.38 0.01 -1.03 -4.85 114.94 110.77 3kz3 s ASN 54 Ca -0.25 -0.42 -0.18 0.00 -0.71 0.00 0.00 52.86 51.31 3kz3 s ASN 54 Cb 0.07 -0.62 -0.09 0.00 0.41 0.00 0.00 41.25 41.02 3kz3 s ASN 54 CO 0.73 0.26 0.94 0.00 -1.51 0.00 0.00 177.10 177.52 3kz3 s ALA 55 N -0.92 3.09 0.67 0.60 0.00 -1.26 -4.32 121.76 119.64 3kz3 s ALA 55 Ca 0.14 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 3kz3 s ALA 55 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3kz3 s ALA 55 CO 0.05 -0.05 1.07 -0.51 0.00 0.00 0.00 175.76 176.32 3kz3 s LEU 56 N -3.67 3.25 0.00 0.00 1.43 -1.26 -5.02 118.68 113.41 3kz3 s LEU 56 Ca 0.59 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 3kz3 s LEU 56 Cb -0.10 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.59 3kz3 s LEU 56 CO 0.24 -1.49 0.14 -0.46 0.23 0.00 0.00 176.35 175.01 3kz3 n ASN 57 N -2.80 1.21 -0.11 2.29 0.23 -1.26 -5.01 115.26 109.82 3kz3 n ASN 57 Ca 0.08 -3.05 -0.12 0.00 -0.53 0.00 0.00 54.58 50.96 3kz3 n ASN 57 Cb 0.53 0.98 -0.03 0.00 -2.08 0.00 0.00 39.78 39.17 3kz3 n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kz3 h ALA 58 N 1.64 0.45 0.15 -2.53 0.00 -1.98 -0.65 119.26 116.33 3kz3 h ALA 58 Ca -0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3kz3 h ALA 58 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kz3 h ALA 58 CO 0.47 0.37 -0.07 -0.92 0.00 0.00 0.00 179.25 179.10 3kz3 h TYR 59 N 0.45 -0.18 -0.28 0.00 3.20 -1.99 -1.33 116.97 116.83 3kz3 h TYR 59 Ca 0.07 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 3kz3 h TYR 59 Cb 0.70 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3kz3 h TYR 59 CO 0.06 -0.06 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.31 3kz3 h ASN 60 N -0.26 0.59 -0.48 -2.11 2.35 -1.97 -1.80 115.58 111.90 3kz3 h ASN 60 Ca -0.02 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.42 3kz3 h ASN 60 Cb 0.21 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3kz3 h ASN 60 CO 0.03 0.86 -0.03 0.00 -1.65 0.00 0.00 177.43 176.64 3kz3 h ALA 61 N 1.18 0.65 -0.68 -0.83 0.00 -1.07 -0.17 119.26 118.35 3kz3 h ALA 61 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3kz3 h ALA 61 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3kz3 h ALA 61 CO 0.06 0.48 0.31 0.00 0.00 0.00 0.00 179.25 180.10 3kz3 h ALA 62 N 0.91 0.88 -0.38 0.00 0.00 -1.10 -0.26 119.26 119.31 3kz3 h ALA 62 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3kz3 h ALA 62 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kz3 h ALA 62 CO 0.03 0.46 -0.40 1.25 0.00 0.00 0.00 179.25 180.59 3kz3 h LEU 63 N 0.95 1.01 -0.95 0.00 5.85 -1.21 -1.98 115.31 118.98 3kz3 h LEU 63 Ca 0.23 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3kz3 h LEU 63 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3kz3 h LEU 63 CO -0.03 1.28 -0.21 -0.07 -0.34 0.00 0.00 178.44 179.08 3kz3 h LEU 64 N 0.76 0.52 -0.80 2.25 3.38 -0.88 -0.61 115.31 119.93 3kz3 h LEU 64 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3kz3 h LEU 64 Cb 1.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3kz3 h LEU 64 CO 0.10 0.73 0.09 0.00 0.09 0.00 0.00 178.44 179.46 3kz3 h ALA 65 N 1.31 1.01 -0.69 1.53 0.00 -0.88 0.65 119.26 122.19 3kz3 h ALA 65 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3kz3 h ALA 65 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kz3 h ALA 65 CO 0.04 0.63 0.19 0.87 0.00 0.00 0.00 179.25 180.98 3kz3 h LYS 66 N 0.94 1.10 -0.40 0.00 1.57 -0.95 0.12 116.57 118.95 3kz3 h LYS 66 Ca 0.19 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3kz3 h LYS 66 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kz3 h LYS 66 CO 0.01 0.96 -0.28 0.82 -0.57 0.00 0.00 179.45 180.39 3kz3 h ILE 67 N 1.03 1.27 -0.01 1.86 2.04 -0.73 -2.95 117.51 120.02 3kz3 h ILE 67 Ca 0.22 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3kz3 h ILE 67 Cb 0.34 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3kz3 h ILE 67 CO -0.00 0.48 -0.18 0.18 0.00 0.00 0.00 178.15 178.63 3kz3 n LEU 68 N -4.09 1.14 -3.50 1.44 4.77 0.19 -4.95 117.00 112.01 3kz3 n LEU 68 Ca -0.01 -0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.46 3kz3 n LEU 68 Cb 0.48 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3kz3 n LEU 68 CO 0.46 0.21 0.12 0.29 -1.33 0.00 0.00 177.39 177.14 3kz3 n LYS 69 N -0.43 -6.69 -4.30 3.23 4.76 0.30 -5.01 118.16 110.02 3kz3 n LYS 69 Ca 0.14 0.82 -0.16 0.00 -2.87 0.00 0.00 58.31 56.24 3kz3 n LYS 69 Cb 0.35 -5.80 -0.10 0.00 -1.84 0.00 0.00 35.03 27.64 3kz3 n LYS 69 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3kz3 s VAL 70 N -3.38 1.01 0.44 -0.18 -7.23 -0.45 -5.05 120.40 105.55 3kz3 s VAL 70 Ca 0.12 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 3kz3 s VAL 70 Cb -0.06 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.57 3kz3 s VAL 70 CO 0.74 -0.43 0.96 -0.94 -0.31 0.00 0.00 175.10 175.11 3kz3 s SER 71 N -3.26 6.90 0.31 4.85 1.04 -1.26 -4.39 113.70 117.89 3kz3 s SER 71 Ca 0.25 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.41 3kz3 s SER 71 Cb 0.05 -2.54 0.60 0.00 0.10 0.00 0.00 66.02 64.23 3kz3 s SER 71 CO 0.06 -0.39 1.90 0.58 0.98 0.00 0.00 173.24 176.38 3kz3 h VAL 72 N 1.87 1.02 0.00 5.02 2.07 -1.92 -1.49 116.25 122.81 3kz3 h VAL 72 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3kz3 h VAL 72 Cb 1.18 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3kz3 h VAL 72 CO 0.61 0.17 0.00 1.05 0.02 0.00 0.00 177.57 179.42 3kz3 h GLU 73 N 0.95 0.00 0.00 1.57 9.09 -1.92 0.19 114.58 124.45 3kz3 h GLU 73 Ca 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.79 3kz3 h GLU 73 Cb 0.30 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3kz3 h GLU 73 CO -0.16 0.00 -0.07 0.93 0.05 0.00 0.00 179.01 179.76 3kz3 h GLU 74 N 0.00 0.00 0.00 1.06 5.08 -1.66 -3.29 114.58 115.78 3kz3 h GLU 74 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kz3 h GLU 74 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kz3 h GLU 74 CO 0.00 0.07 -0.96 1.97 -1.00 0.00 0.00 179.01 179.09 3kz3 n PHE 75 N -3.31 0.00 -3.69 4.33 -1.74 0.05 -4.84 117.46 108.26 3kz3 n PHE 75 Ca -0.01 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.59 3kz3 n PHE 75 Cb 0.26 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.13 3kz3 n PHE 75 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3kz3 s SER 76 N -3.09 3.59 0.30 5.98 0.15 0.44 -4.21 113.70 116.86 3kz3 s SER 76 Ca 0.00 -2.56 0.01 0.00 0.70 0.00 0.00 55.95 54.10 3kz3 s SER 76 Cb 0.00 -0.97 0.54 0.00 -1.71 0.00 0.00 66.02 63.88 3kz3 s SER 76 CO 0.00 -0.27 1.89 -0.65 1.20 0.00 0.00 173.24 175.41 3kz3 h PRO 77 N 6.79 0.98 -0.25 5.44 0.11 -1.77 -0.77 132.00 142.53 3kz3 h PRO 77 Ca -0.01 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3kz3 h PRO 77 Cb 0.93 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3kz3 h PRO 77 CO 0.46 0.65 -0.02 0.66 -0.21 0.00 0.00 178.00 179.54 3kz3 h SER 78 N 1.01 0.45 0.45 -2.05 4.64 -1.93 -2.61 113.55 113.51 3kz3 h SER 78 Ca 0.42 -0.33 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3kz3 h SER 78 Cb 0.29 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3kz3 h SER 78 CO -0.17 0.67 -0.55 0.40 -0.87 0.00 0.00 176.83 176.31 3kz3 h ILE 79 N 0.22 1.38 -0.95 0.95 2.04 -1.90 -2.36 117.51 116.89 3kz3 h ILE 79 Ca 0.07 -1.86 0.08 0.00 1.00 0.00 0.00 64.86 64.15 3kz3 h ILE 79 Cb 0.46 1.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 3kz3 h ILE 79 CO 0.02 0.54 0.61 0.00 0.00 0.00 0.00 178.15 179.32 3kz3 h ALA 80 N 1.36 1.52 -0.21 1.87 0.00 -0.99 0.12 119.26 122.92 3kz3 h ALA 80 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kz3 h ALA 80 Cb 0.99 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kz3 h ALA 80 CO 0.08 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 3kz3 h ARG 81 N 1.03 0.34 -0.08 0.00 3.08 -1.05 -2.17 114.38 115.53 3kz3 h ARG 81 Ca 0.43 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 3kz3 h ARG 81 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3kz3 h ARG 81 CO -0.18 0.46 -0.47 1.49 -1.07 0.00 0.00 179.97 180.20 3kz3 h GLU 82 N 0.32 0.21 -0.02 0.04 4.81 -0.77 -2.59 114.58 116.59 3kz3 h GLU 82 Ca 0.07 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 3kz3 h GLU 82 Cb 0.40 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3kz3 h GLU 82 CO 0.02 0.65 -0.82 0.82 -0.73 0.00 0.00 179.01 178.95 3kz3 h ILE 83 N 0.17 1.45 0.00 2.32 2.04 -1.13 -3.52 117.51 118.83 3kz3 h ILE 83 Ca 0.01 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3kz3 h ILE 83 Cb 0.91 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 3kz3 h ILE 83 CO 0.07 0.71 0.00 -1.14 0.00 0.00 0.00 178.15 177.79