#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ASN 9 N 0.00 0.25 -0.52 0.55 0.01 -1.26 -5.09 114.94 108.88 3huw s ASN 9 Ca 0.00 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.13 3huw s ASN 9 Cb 0.00 -0.10 0.14 0.00 0.41 0.00 0.00 41.25 41.69 3huw s ASN 9 CO 0.00 -0.05 0.31 -0.22 -1.51 0.00 0.00 177.10 175.62 3huw s LEU 10 N 0.57 5.00 0.00 0.60 0.20 -1.26 -4.99 118.68 118.79 3huw s LEU 10 Ca -0.05 -2.62 0.00 0.00 0.69 0.00 0.00 54.13 52.15 3huw s LEU 10 Cb -0.08 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 3huw s LEU 10 CO -0.01 -0.38 0.00 -1.20 -0.29 0.00 0.00 176.35 174.46 3huw n SER 11 N 3.75 0.00 -0.21 3.68 7.64 -1.26 -3.35 113.62 123.87 3huw n SER 11 Ca 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.89 3huw n SER 11 Cb 0.38 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.72 3huw n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3huw h ALA 12 N 0.33 1.16 -0.72 -0.43 0.00 -2.04 -3.14 119.26 114.42 3huw h ALA 12 Ca 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.93 3huw h ALA 12 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3huw h ALA 12 CO 0.00 0.60 0.68 1.47 0.00 0.00 0.00 179.25 182.00 3huw n LEU 13 N -4.28 0.00 0.11 0.00 -0.00 -1.21 0.24 117.00 111.86 3huw n LEU 13 Ca 0.06 0.44 0.18 0.00 -0.00 0.00 0.00 56.01 56.69 3huw n LEU 13 Cb 0.20 -0.18 0.74 0.00 -0.00 0.00 0.00 43.42 44.17 3huw n LEU 13 CO 0.40 -0.44 1.16 0.50 -0.00 0.00 0.00 177.39 179.01 3huw h LYS 14 N 0.00 0.00 -0.33 1.47 3.64 -1.89 0.69 116.57 120.15 3huw h LYS 14 Ca 0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3huw h LYS 14 Cb 1.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.51 3huw h LYS 14 CO -0.00 0.00 0.19 0.00 -2.27 0.00 0.00 179.45 177.37 3huw h ARG 15 N 0.00 0.45 0.67 1.90 2.47 0.29 -0.48 114.38 119.68 3huw h ARG 15 Ca 0.16 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 3huw h ARG 15 Cb 0.73 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.97 3huw h ARG 15 CO -0.00 0.36 -0.32 1.25 0.56 0.00 0.00 179.97 181.82 3huw h HIS 16 N 0.42 -0.83 -0.77 3.04 2.76 0.16 -0.60 115.15 119.33 3huw h HIS 16 Ca 0.12 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.44 3huw h HIS 16 Cb 0.03 0.27 -0.14 0.00 1.55 0.00 0.00 27.41 29.13 3huw h HIS 16 CO -0.04 -0.48 -0.09 0.00 -1.30 0.00 0.00 177.93 176.03 3huw h ARG 17 N -1.05 0.05 -0.79 5.26 3.08 -1.13 1.18 114.38 120.97 3huw h ARG 17 Ca -0.09 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.04 3huw h ARG 17 Cb 0.72 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 3huw h ARG 17 CO 0.15 0.03 0.45 1.96 -1.07 0.00 0.00 179.97 181.49 3huw h GLN 18 N 0.05 0.75 -1.00 0.04 4.20 -0.89 -2.70 115.11 115.56 3huw h GLN 18 Ca 0.40 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.16 3huw h GLN 18 Cb 0.68 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 3huw h GLN 18 CO -0.74 0.50 0.63 1.03 -0.67 0.00 0.00 178.83 179.58 3huw h SER 19 N 0.77 0.97 -0.41 1.46 0.87 0.31 -2.69 113.55 114.83 3huw h SER 19 Ca 0.38 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 3huw h SER 19 Cb 0.32 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3huw h SER 19 CO -0.23 0.57 0.22 -0.07 -0.53 0.00 0.00 176.83 176.78 3huw h LEU 20 N 1.07 0.51 -0.71 2.23 3.38 -1.08 0.70 115.31 121.41 3huw h LEU 20 Ca 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 3huw h LEU 20 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3huw h LEU 20 CO -0.22 0.45 0.41 0.11 0.09 0.00 0.00 178.44 179.28 3huw h LYS 21 N 0.52 0.97 0.01 1.13 1.57 -1.54 0.39 116.57 119.62 3huw h LYS 21 Ca 0.14 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3huw h LYS 21 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3huw h LYS 21 CO -0.02 0.70 -0.00 0.00 -0.57 0.00 0.00 179.45 179.55 3huw h ARG 22 N 0.97 -0.01 -0.34 3.15 3.08 -1.15 1.33 114.38 121.40 3huw h ARG 22 Ca 0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.36 3huw h ARG 22 Cb -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 3huw h ARG 22 CO -0.05 0.39 -0.45 -0.09 -1.07 0.00 0.00 179.97 178.71 3huw h ARG 23 N -0.41 -0.36 -0.57 0.04 2.43 0.78 -0.40 114.38 115.88 3huw h ARG 23 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3huw h ARG 23 Cb 0.41 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3huw h ARG 23 CO 0.00 -0.24 0.31 1.25 -1.51 0.00 0.00 179.97 179.78 3huw h LEU 24 N -0.38 0.72 0.00 3.80 7.12 -0.20 -2.14 115.31 124.24 3huw h LEU 24 Ca 0.11 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.03 3huw h LEU 24 Cb 0.60 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 3huw h LEU 24 CO -0.54 0.61 0.00 -1.14 -0.13 0.00 0.00 178.44 177.24 3huw n ARG 25 N -4.59 0.00 0.03 1.25 0.63 0.46 -2.83 116.66 111.60 3huw n ARG 25 Ca 0.03 0.86 -0.16 0.00 -0.92 0.00 0.00 57.85 57.66 3huw n ARG 25 Cb 0.09 -1.40 -0.06 0.00 0.45 0.00 0.00 32.46 31.53 3huw n ARG 25 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3huw h ASN 26 N 0.00 0.78 -0.93 6.15 -0.00 -1.48 -3.28 115.58 116.83 3huw h ASN 26 Ca 0.00 -0.58 0.26 0.00 -0.00 0.00 0.00 56.30 55.98 3huw h ASN 26 Cb 0.00 -0.24 -0.16 0.00 -0.00 0.00 0.00 38.32 37.92 3huw h ASN 26 CO 0.00 1.37 0.11 0.50 -0.00 0.00 0.00 177.43 179.41 3huw h LYS 27 N 0.39 0.07 0.00 4.14 3.64 -1.37 0.56 116.57 124.01 3huw h LYS 27 Ca -0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3huw h LYS 27 Cb 1.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 3huw h LYS 27 CO 0.17 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.40 3huw n ALA 28 N -2.94 -0.20 0.19 5.00 0.00 -1.13 -1.42 120.51 120.01 3huw n ALA 28 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.75 3huw n ALA 28 Cb 0.73 0.11 0.45 0.00 0.00 0.00 0.00 19.45 20.75 3huw n ALA 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3huw h LYS 29 N 0.00 0.00 0.19 0.00 2.10 -1.42 -0.40 116.57 117.03 3huw h LYS 29 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3huw h LYS 29 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3huw h LYS 29 CO 0.00 0.00 -0.09 -0.22 -2.00 0.00 0.00 179.45 177.14 3huw h LYS 30 N 0.00 -0.24 -0.29 0.07 3.11 0.87 -2.98 116.57 117.11 3huw h LYS 30 Ca 0.00 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 3huw h LYS 30 Cb 0.57 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 3huw h LYS 30 CO 0.00 0.14 -0.17 0.66 -2.81 0.00 0.00 179.45 177.27 3huw h SER 31 N -0.90 0.50 -0.85 4.20 4.64 0.09 -1.45 113.55 119.78 3huw h SER 31 Ca -0.03 -0.14 0.18 0.00 -0.47 0.00 0.00 61.79 61.33 3huw h SER 31 Cb 0.50 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 3huw h SER 31 CO 0.04 0.69 0.56 0.00 -0.87 0.00 0.00 176.83 177.25 3huw h ALA 32 N 1.36 2.14 0.39 5.18 0.00 -1.36 0.49 119.26 127.46 3huw h ALA 32 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3huw h ALA 32 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3huw h ALA 32 CO 0.04 -0.39 -0.25 0.82 0.00 0.00 0.00 179.25 179.47 3huw h ILE 33 N 0.44 0.00 -0.88 0.00 1.08 -1.10 -1.88 117.51 115.16 3huw h ILE 33 Ca 0.43 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 65.14 3huw h ILE 33 Cb 1.01 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.62 3huw h ILE 33 CO -0.16 0.00 0.25 0.11 -0.69 0.00 0.00 178.15 177.66 3huw h LYS 34 N -0.60 0.21 0.80 2.37 1.57 -0.41 0.65 116.57 121.16 3huw h LYS 34 Ca -0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3huw h LYS 34 Cb 0.49 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3huw h LYS 34 CO 0.04 0.14 -0.38 1.79 -0.57 0.00 0.00 179.45 180.47 3huw h THR 35 N 0.21 0.00 -0.39 -0.16 1.35 -0.06 0.36 112.91 114.22 3huw h THR 35 Ca 0.56 -0.16 0.02 0.00 -0.55 0.00 0.00 66.41 66.28 3huw h THR 35 Cb 1.13 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 3huw h THR 35 CO -0.65 0.00 0.23 -0.07 -0.25 0.00 0.00 175.52 174.78 3huw h LEU 36 N -1.23 0.38 -0.58 3.87 -0.00 -0.70 1.54 115.31 118.60 3huw h LEU 36 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.89 3huw h LEU 36 Cb 0.82 -0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 41.31 3huw h LEU 36 CO 0.18 0.28 0.05 0.28 -0.00 0.00 0.00 178.44 179.23 3huw h SER 37 N 0.48 -0.14 0.43 -0.43 0.02 0.29 0.72 113.55 114.92 3huw h SER 37 Ca 0.16 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3huw h SER 37 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3huw h SER 37 CO -0.07 -0.05 -0.21 0.50 -1.14 0.00 0.00 176.83 175.86 3huw h LYS 38 N 0.17 -0.55 -0.83 3.45 3.64 -0.19 -1.90 116.57 120.37 3huw h LYS 38 Ca 0.30 0.04 0.33 0.00 -1.27 0.00 0.00 60.65 60.04 3huw h LYS 38 Cb 0.46 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.28 3huw h LYS 38 CO -0.44 -0.31 0.47 1.17 -2.27 0.00 0.00 179.45 178.07 3huw n LYS 39 N -5.16 -0.04 0.17 1.90 4.81 0.52 -0.07 118.16 120.29 3huw n LYS 39 Ca -0.08 1.01 -0.07 0.00 -0.87 0.00 0.00 58.31 58.30 3huw n LYS 39 Cb 0.26 -1.86 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 3huw n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3huw h ALA 40 N 1.42 -0.81 -0.46 3.14 0.00 0.71 -3.12 119.26 120.15 3huw h ALA 40 Ca 0.64 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.59 3huw h ALA 40 Cb 1.80 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3huw h ALA 40 CO -0.52 -0.78 0.65 -0.84 0.00 0.00 0.00 179.25 177.76 3huw h ILE 41 N -0.60 0.19 0.27 0.00 3.07 0.33 0.69 117.51 121.46 3huw h ILE 41 Ca -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.35 3huw h ILE 41 Cb 0.35 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 37.35 3huw h ILE 41 CO 0.08 0.00 -0.13 0.06 -1.05 0.00 0.00 178.15 177.11 3huw h GLN 42 N 0.00 -0.35 0.16 0.16 -0.00 -1.20 -2.56 115.11 111.33 3huw h GLN 42 Ca 0.22 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 3huw h GLN 42 Cb 1.51 0.08 -0.04 0.00 -0.00 0.00 0.00 27.48 29.03 3huw h GLN 42 CO -0.00 -0.07 -0.38 -0.07 -0.00 0.00 0.00 178.83 178.31 3huw h LEU 43 N -0.61 -1.11 -1.81 0.06 3.38 0.43 0.25 115.31 115.89 3huw h LEU 43 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3huw h LEU 43 Cb 0.44 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3huw h LEU 43 CO 0.06 -0.47 0.24 0.00 0.09 0.00 0.00 178.44 178.35 3huw h ALA 44 N -0.12 1.21 0.00 1.53 0.00 -1.40 -1.56 119.26 118.91 3huw h ALA 44 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3huw h ALA 44 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3huw h ALA 44 CO -0.20 -0.21 -0.55 0.37 0.00 0.00 0.00 179.25 178.66 3huw h GLN 45 N 0.00 0.00 0.00 0.00 -0.00 -0.70 -3.18 115.11 111.23 3huw h GLN 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3huw h GLN 45 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.95 3huw h GLN 45 CO 0.00 0.11 0.53 1.49 0.00 0.00 0.00 178.83 180.96 3huw h GLU 46 N -1.00 0.00 -2.08 1.69 4.81 0.37 -3.43 114.58 114.94 3huw h GLU 46 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3huw h GLU 46 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3huw h GLU 46 CO -0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 3huw n GLY 47 N -1.27 0.72 3.83 1.92 0.00 -0.80 -5.08 105.19 104.49 3huw n GLY 47 Ca -0.01 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3huw n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huw s LYS 48 N -2.91 2.26 0.00 1.61 -0.14 -1.01 -4.99 119.74 114.56 3huw s LYS 48 Ca 0.00 -1.97 0.00 0.00 -1.36 0.00 0.00 55.97 52.64 3huw s LYS 48 Cb 0.00 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.15 3huw s LYS 48 CO 0.00 -0.38 0.00 0.00 -0.76 0.00 0.00 175.35 174.21 3huw n ALA 49 N -1.50 0.00 -0.38 5.17 0.00 -1.26 -4.66 120.51 117.89 3huw n ALA 49 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.42 3huw n ALA 49 Cb 0.65 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.17 3huw n ALA 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3huw n GLU 50 N 0.00 -0.19 0.20 0.00 0.28 -1.26 0.11 120.64 119.78 3huw n GLU 50 Ca 0.00 1.54 0.09 0.00 -0.16 0.00 0.00 57.16 58.64 3huw n GLU 50 Cb 0.00 -2.30 0.27 0.00 1.43 0.00 0.00 31.44 30.84 3huw n GLU 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 3huw h GLU 51 N 0.00 0.00 0.44 3.44 4.11 -1.95 0.22 114.58 120.84 3huw h GLU 51 Ca 0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.81 3huw h GLU 51 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3huw h GLU 51 CO -1.00 0.22 -0.31 0.00 0.07 0.00 0.00 179.01 177.98 3huw h ALA 52 N 1.78 -0.74 0.00 1.06 0.00 0.52 -2.81 119.26 119.07 3huw h ALA 52 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3huw h ALA 52 Cb 0.99 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3huw h ALA 52 CO 0.03 -0.94 -0.57 1.47 0.00 0.00 0.00 179.25 179.24 3huw n LEU 53 N -5.44 0.67 0.20 0.00 -0.00 -0.81 -3.55 117.00 108.07 3huw n LEU 53 Ca -0.11 0.23 0.10 0.00 -0.00 0.00 0.00 56.01 56.23 3huw n LEU 53 Cb 0.34 -0.20 0.54 0.00 -0.00 0.00 0.00 43.42 44.10 3huw n LEU 53 CO 0.32 -0.04 0.88 0.50 -0.00 0.00 0.00 177.39 179.05 3huw h LYS 54 N 0.00 0.00 0.00 1.47 3.64 -0.27 0.52 116.57 121.93 3huw h LYS 54 Ca 0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.99 3huw h LYS 54 Cb 0.72 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3huw h LYS 54 CO 0.00 0.00 -2.12 -0.89 -2.27 0.00 0.00 179.45 174.17 3huw n ILE 55 N -2.30 1.54 -0.34 2.00 2.08 -1.21 -3.91 119.36 117.22 3huw n ILE 55 Ca -0.01 -0.28 0.17 0.00 0.56 0.00 0.00 62.75 63.18 3huw n ILE 55 Cb 0.24 -1.91 0.33 0.00 -0.75 0.00 0.00 39.64 37.55 3huw n ILE 55 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 3huw h MET 56 N -0.94 0.00 0.05 0.38 1.85 -0.17 2.14 114.93 118.25 3huw h MET 56 Ca -0.58 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.51 3huw h MET 56 Cb 1.54 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.57 3huw h MET 56 CO -0.34 0.00 -0.03 0.00 -0.40 0.00 0.00 176.91 176.15 3huw h ARG 57 N 0.00 -0.07 -0.75 0.39 -0.00 -1.22 0.58 114.38 113.32 3huw h ARG 57 Ca 0.63 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 60.09 3huw h ARG 57 Cb 1.36 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 31.31 3huw h ARG 57 CO -0.92 0.03 0.36 -0.22 0.00 0.00 0.00 179.97 179.22 3huw h LYS 58 N -0.15 1.06 0.03 0.04 1.63 0.13 -1.10 116.57 118.21 3huw h LYS 58 Ca -0.01 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3huw h LYS 58 Cb 0.13 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3huw h LYS 58 CO 0.01 0.82 -0.01 0.00 -3.45 0.00 0.00 179.45 176.82 3huw h ALA 59 N 1.34 -0.04 -0.57 5.00 0.00 0.32 -3.01 119.26 122.30 3huw h ALA 59 Ca 0.26 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3huw h ALA 59 Cb 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 3huw h ALA 59 CO -0.03 -0.22 -0.04 1.49 0.00 0.00 0.00 179.25 180.45 3huw h GLU 60 N -0.64 0.08 -0.13 0.00 4.81 0.22 -1.59 114.58 117.32 3huw h GLU 60 Ca -0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3huw h GLU 60 Cb 0.59 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3huw h GLU 60 CO 0.01 0.05 -0.08 0.45 -0.73 0.00 0.00 179.01 178.71 3huw n SER 61 N -5.30 -0.14 -0.20 1.04 2.88 -0.42 -0.82 113.62 110.66 3huw n SER 61 Ca 0.07 0.95 0.26 0.00 -1.33 0.00 0.00 58.87 58.83 3huw n SER 61 Cb 0.31 -0.39 0.66 0.00 -0.75 0.00 0.00 64.21 64.05 3huw n SER 61 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3huw h LEU 62 N 0.00 0.12 0.22 2.46 3.38 -1.16 -0.93 115.31 119.40 3huw h LEU 62 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3huw h LEU 62 Cb 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3huw h LEU 62 CO -0.12 0.04 -0.11 0.40 0.09 0.00 0.00 178.44 178.74 3huw h ILE 63 N 0.11 0.00 -0.89 1.22 2.04 -0.63 -1.61 117.51 117.75 3huw h ILE 63 Ca 0.45 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 66.44 3huw h ILE 63 Cb 1.58 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 3huw h ILE 63 CO -0.06 0.00 0.48 0.44 0.00 0.00 0.00 178.15 179.00 3huw h ASP 64 N -0.33 0.58 -0.24 1.72 5.19 -1.33 0.35 116.42 122.35 3huw h ASP 64 Ca -0.03 0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 3huw h ASP 64 Cb 0.23 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.66 3huw h ASP 64 CO 0.05 0.22 -0.49 0.11 -3.12 0.00 0.00 179.24 176.01 3huw h LYS 65 N 0.65 -0.46 -0.63 3.56 1.79 -1.10 0.32 116.57 120.71 3huw h LYS 65 Ca 0.50 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.94 3huw h LYS 65 Cb 0.73 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3huw h LYS 65 CO -0.38 -0.31 0.15 0.00 -1.08 0.00 0.00 179.45 177.84 3huw h ALA 66 N 0.00 1.08 -0.11 3.86 0.00 -0.32 -2.33 119.26 121.44 3huw h ALA 66 Ca 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3huw h ALA 66 Cb 0.64 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3huw h ALA 66 CO -0.49 0.61 0.13 0.00 0.00 0.00 0.00 179.25 179.50 3huw h ALA 67 N 1.22 1.71 -0.94 0.00 0.00 0.14 -2.57 119.26 118.83 3huw h ALA 67 Ca 0.20 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.30 3huw h ALA 67 Cb 0.34 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3huw h ALA 67 CO 0.00 -0.18 0.60 0.87 0.00 0.00 0.00 179.25 180.54 3huw h LYS 68 N 0.00 0.53 0.00 0.00 1.57 0.14 -3.41 116.57 115.39 3huw h LYS 68 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3huw h LYS 68 Cb 0.31 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3huw h LYS 68 CO -0.00 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 3huw n GLY 69 N -1.46 3.83 0.00 3.86 0.00 -0.97 -5.05 105.19 105.40 3huw n GLY 69 Ca 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3huw n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3huw n SER 70 N -0.80 0.00 0.00 1.61 7.64 -1.26 -3.86 113.62 116.94 3huw n SER 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3huw n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3huw n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3huw n THR 71 N -2.18 0.00 -2.10 0.44 -1.04 -1.25 -4.85 114.28 103.30 3huw n THR 71 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3huw n THR 71 Cb 0.00 -0.29 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 3huw n THR 71 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3huw s LEU 72 N 0.00 3.58 0.00 -4.42 0.20 -1.22 -4.95 118.68 111.87 3huw s LEU 72 Ca 0.00 1.94 0.00 0.00 0.69 0.00 0.00 54.13 56.76 3huw s LEU 72 Cb 0.00 -4.55 0.00 0.00 -0.43 0.00 0.00 46.19 41.21 3huw s LEU 72 CO 0.00 -1.21 0.00 1.41 -0.29 0.00 0.00 176.35 176.26 3huw n HIS 73 N -1.81 0.00 0.00 5.38 8.25 -1.26 -3.23 115.22 122.54 3huw n HIS 73 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3huw n HIS 73 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3huw n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3huw n LYS 74 N 0.00 0.00 -0.03 -0.41 4.76 -1.26 -2.36 118.16 118.86 3huw n LYS 74 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 3huw n LYS 74 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3huw n LYS 74 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3huw h ASN 75 N 0.00 0.86 -0.49 4.39 2.35 -2.00 -3.35 115.58 117.34 3huw h ASN 75 Ca 0.00 -0.52 0.06 0.00 -0.55 0.00 0.00 56.30 55.28 3huw h ASN 75 Cb 0.00 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.05 3huw h ASN 75 CO 0.00 1.31 -0.25 0.00 -1.65 0.00 0.00 177.43 176.84 3huw n ALA 76 N -2.57 -0.22 -0.31 -0.83 0.00 -1.09 0.33 120.51 115.82 3huw n ALA 76 Ca -0.06 0.44 0.19 0.00 0.00 0.00 0.00 53.44 54.02 3huw n ALA 76 Cb 0.69 -0.13 0.45 0.00 0.00 0.00 0.00 19.45 20.47 3huw n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw h ALA 77 N 0.41 2.04 -0.01 0.00 0.00 -1.60 0.42 119.26 120.53 3huw h ALA 77 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3huw h ALA 77 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3huw h ALA 77 CO -0.47 -0.42 -0.02 0.00 0.00 0.00 0.00 179.25 178.34 3huw h ALA 78 N 1.63 0.01 -1.02 0.00 0.00 0.53 -3.00 119.26 117.41 3huw h ALA 78 Ca 0.56 -0.33 0.25 0.00 0.00 0.00 0.00 54.91 55.39 3huw h ALA 78 Cb 1.24 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 3huw h ALA 78 CO -0.30 -0.16 0.63 -0.09 0.00 0.00 0.00 179.25 179.33 3huw h ARG 79 N -0.61 0.51 0.30 0.00 2.43 0.20 0.55 114.38 117.75 3huw h ARG 79 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3huw h ARG 79 Cb 0.66 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3huw h ARG 79 CO 0.00 0.34 -0.22 0.00 -1.51 0.00 0.00 179.97 178.58 3huw h ARG 80 N 0.52 -0.50 -0.66 0.20 2.47 -0.27 -3.11 114.38 113.03 3huw h ARG 80 Ca 0.61 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.35 3huw h ARG 80 Cb 1.30 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.70 3huw h ARG 80 CO -0.38 -0.33 0.36 0.87 0.56 0.00 0.00 179.97 181.05 3huw h LYS 81 N -0.52 0.93 -1.78 0.04 1.57 0.03 -0.33 116.57 116.51 3huw h LYS 81 Ca -0.02 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3huw h LYS 81 Cb 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3huw h LYS 81 CO -0.00 0.70 0.00 -1.13 -0.57 0.00 0.00 179.45 178.45 3huw n SER 82 N -4.52 2.60 0.09 0.86 3.41 0.88 -1.71 113.62 115.22 3huw n SER 82 Ca 0.05 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 3huw n SER 82 Cb 0.09 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3huw n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3huw n ARG 83 N 1.34 0.00 0.00 4.33 1.74 -1.05 -4.92 116.66 118.10 3huw n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3huw n ARG 83 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 3huw n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3huw n LEU 84 N -2.90 0.00 -4.56 0.55 -0.00 -0.16 -0.55 117.00 109.38 3huw n LEU 84 Ca 0.00 0.38 -0.34 0.00 -0.00 0.00 0.00 56.01 56.05 3huw n LEU 84 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3huw n LEU 84 CO 0.00 0.00 1.44 0.00 -0.00 0.00 0.00 177.39 178.83 3huw s MET 85 N -0.75 2.75 0.00 1.96 0.23 -0.70 -2.06 119.30 120.73 3huw s MET 85 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 55.69 54.59 3huw s MET 85 Cb 0.00 -4.79 0.00 0.00 -1.53 0.00 0.00 34.83 28.51 3huw s MET 85 CO 0.00 -2.91 0.00 -2.13 -2.03 0.00 0.00 175.02 167.95 3huw n ARG 86 N 9.02 0.00 0.07 3.16 0.63 -0.83 -4.50 116.66 124.20 3huw n ARG 86 Ca 0.29 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.06 3huw n ARG 86 Cb 0.49 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.33 3huw n ARG 86 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3huw h LYS 87 N 0.00 0.51 -0.84 -0.14 1.63 -0.24 -1.07 116.57 116.42 3huw h LYS 87 Ca 0.00 -0.58 0.24 0.00 -0.85 0.00 0.00 60.65 59.46 3huw h LYS 87 Cb 0.00 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 3huw h LYS 87 CO 0.00 1.21 0.62 0.28 -3.45 0.00 0.00 179.45 178.11 3huw h VAL 88 N 0.27 0.56 0.04 2.00 2.07 -1.71 0.32 116.25 119.81 3huw h VAL 88 Ca -0.11 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 3huw h VAL 88 Cb 1.68 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3huw h VAL 88 CO 0.19 0.00 -1.79 -1.14 0.02 0.00 0.00 177.57 174.85 3huw n ARG 89 N -4.25 0.67 0.00 1.57 0.63 -1.11 0.76 116.66 114.94 3huw n ARG 89 Ca 0.17 0.29 0.11 0.00 -0.92 0.00 0.00 57.85 57.50 3huw n ARG 89 Cb 0.92 -1.77 0.56 0.00 0.45 0.00 0.00 32.46 32.62 3huw n ARG 89 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3huw n GLN 90 N -3.18 0.36 -0.02 -0.14 6.02 0.58 -3.10 117.38 117.90 3huw n GLN 90 Ca -0.21 0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.82 3huw n GLN 90 Cb 1.05 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.79 3huw n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3huw n LEU 91 N -1.25 2.72 -3.38 1.08 4.77 0.81 -4.76 117.00 117.00 3huw n LEU 91 Ca 0.11 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 3huw n LEU 91 Cb 0.16 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3huw n LEU 91 CO 0.16 0.51 2.98 0.18 -1.33 0.00 0.00 177.39 179.89 3huw n LEU 92 N -2.66 8.47 0.00 2.23 4.77 0.23 -2.46 117.00 127.58 3huw n LEU 92 Ca -0.06 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 3huw n LEU 92 Cb 0.57 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3huw n LEU 92 CO 0.03 2.07 0.00 -1.84 -1.33 0.00 0.00 177.39 176.33 3huw n GLU 93 N 2.77 0.00 -0.98 3.23 0.00 -1.25 -3.90 120.64 120.51 3huw n GLU 93 Ca 0.72 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.77 3huw n GLU 93 Cb 0.24 0.00 0.23 0.00 0.00 0.00 0.00 31.44 31.90 3huw n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3huw n ALA 94 N 0.00 4.73 0.00 -1.84 0.00 -1.03 -4.44 120.51 117.93 3huw n ALA 94 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.66 3huw n ALA 94 Cb 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3huw n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw n ALA 95 N -0.83 0.00 -2.67 0.00 0.00 -1.26 -5.09 120.51 110.66 3huw n ALA 95 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3huw n ALA 95 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.79 3huw n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 96 N 0.00 4.86 0.00 0.00 0.00 -1.26 -5.02 105.19 103.77 3huw n GLY 96 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3huw n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 97 N -3.00 0.00 -1.66 4.61 0.00 -1.25 -4.57 120.51 114.64 3huw n ALA 97 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3huw n ALA 97 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3huw n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3huw n PRO 98 N 0.00 1.23 -0.43 0.00 -0.04 -1.26 -4.64 135.00 129.86 3huw n PRO 98 Ca 0.00 -2.10 -0.07 0.00 -0.04 0.00 0.00 63.50 61.29 3huw n PRO 98 Cb 0.00 -3.48 0.04 0.00 -0.04 0.00 0.00 33.50 30.03 3huw n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3huw n LEU 99 N 13.19 4.48 -3.67 1.53 0.00 -1.26 -4.65 117.00 126.62 3huw n LEU 99 Ca 0.46 -2.27 -0.15 0.00 0.00 0.00 0.00 56.01 54.04 3huw n LEU 99 Cb 0.45 -0.71 -0.15 0.00 0.00 0.00 0.00 43.42 43.01 3huw n LEU 99 CO 0.79 0.76 -0.21 -0.63 0.00 0.00 0.00 177.39 178.11 3huw s ILE 100 N -1.00 -0.28 -2.00 1.96 1.09 -1.26 -4.91 121.20 114.80 3huw s ILE 100 Ca 0.16 0.32 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 3huw s ILE 100 Cb 0.13 -0.33 0.01 0.00 -1.06 0.00 0.00 42.46 41.21 3huw s ILE 100 CO 0.02 0.13 0.38 0.61 -0.10 0.00 0.00 174.94 175.98 3huw n GLY 101 N 5.21 -0.37 3.70 6.18 0.00 -1.26 -4.75 105.19 113.91 3huw n GLY 101 Ca -0.07 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3huw n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huw s GLY 102 N -1.64 2.47 0.04 -0.02 0.00 -1.26 -4.87 107.32 102.04 3huw s GLY 102 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3huw s GLY 102 CO 0.00 1.97 0.00 0.61 0.00 0.00 0.00 173.10 175.69 3huw n GLY 103 N 3.15 -0.66 0.00 0.20 0.00 -1.26 -4.91 105.19 101.72 3huw n GLY 103 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3huw n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3huw n LEU 104 N 0.00 0.00 -4.75 0.99 0.00 -1.26 -4.85 117.00 107.13 3huw n LEU 104 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 3huw n LEU 104 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.46 3huw n LEU 104 CO 0.00 0.00 0.44 -0.94 0.00 0.00 0.00 177.39 176.89 3huw s SER 105 N 0.00 7.16 0.00 1.96 1.04 -1.26 -4.99 113.70 117.61 3huw s SER 105 Ca 0.00 1.39 0.05 0.00 0.48 0.00 0.00 55.95 57.87 3huw s SER 105 Cb 0.00 -2.45 0.30 0.00 0.10 0.00 0.00 66.02 63.97 3huw s SER 105 CO 0.00 0.02 0.77 0.00 0.98 0.00 0.00 173.24 175.01