#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s ASN 9 N 0.00 -0.38 -0.18 0.55 0.01 -1.26 -5.16 114.94 108.53 2hgi s ASN 9 Ca 0.00 0.50 -0.28 0.00 -0.71 0.00 0.00 52.86 52.37 2hgi s ASN 9 Cb 0.00 0.57 0.08 0.00 0.41 0.00 0.00 41.25 42.30 2hgi s ASN 9 CO 0.00 -0.38 0.74 -0.22 -1.51 0.00 0.00 177.10 175.72 2hgi s LEU 10 N -0.78 -0.68 -0.50 0.60 2.96 -1.26 -5.14 118.68 113.88 2hgi s LEU 10 Ca -0.09 1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2hgi s LEU 10 Cb -0.03 2.43 0.13 0.00 0.50 0.00 0.00 46.19 49.22 2hgi s LEU 10 CO 0.04 -0.39 0.34 -0.44 -1.32 0.00 0.00 176.35 174.58 2hgi s SER 11 N -0.34 5.50 0.00 3.68 0.01 -1.26 -4.47 113.70 116.82 2hgi s SER 11 Ca -0.04 -2.21 0.00 0.00 1.31 0.00 0.00 55.95 55.00 2hgi s SER 11 Cb -0.03 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2hgi s SER 11 CO 0.04 -0.56 0.00 0.00 0.41 0.00 0.00 173.24 173.13 2hgi n ALA 12 N 4.42 0.00 0.29 1.44 0.00 -1.26 -4.73 120.51 120.67 2hgi n ALA 12 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 2hgi n ALA 12 Cb 0.41 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.64 2hgi n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgi h LEU 13 N 0.00 0.00 -0.66 0.00 4.07 -2.01 1.01 115.31 117.72 2hgi h LEU 13 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2hgi h LEU 13 Cb 0.01 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.66 2hgi h LEU 13 CO 0.00 0.00 -0.45 0.11 -1.08 0.00 0.00 178.44 177.02 2hgi h LYS 14 N 0.00 -0.07 -0.54 1.13 1.57 -1.93 2.02 116.57 118.75 2hgi h LYS 14 Ca 0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 2hgi h LYS 14 Cb 0.49 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 2hgi h LYS 14 CO 0.00 -0.05 -0.07 0.54 -0.57 0.00 0.00 179.45 179.30 2hgi n ARG 15 N -4.76 -0.05 0.00 3.15 5.12 0.35 0.10 116.66 120.58 2hgi n ARG 15 Ca 0.00 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 2hgi n ARG 15 Cb 0.22 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 2hgi n ARG 15 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2hgi n HIS 16 N -4.78 0.00 -0.24 -1.55 -0.00 0.67 -0.77 115.22 108.55 2hgi n HIS 16 Ca 0.10 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.26 2hgi n HIS 16 Cb 0.33 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 2hgi n HIS 16 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2hgi n ARG 17 N -0.74 -0.17 0.19 1.57 1.74 0.29 0.19 116.66 119.72 2hgi n ARG 17 Ca 0.00 0.92 -0.15 0.00 -0.77 0.00 0.00 57.85 57.85 2hgi n ARG 17 Cb 0.00 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 2hgi n ARG 17 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 2hgi h GLN 18 N 0.00 -0.65 -0.87 5.56 3.07 -1.14 0.90 115.11 121.98 2hgi h GLN 18 Ca 0.18 0.04 0.17 0.00 0.09 0.00 0.00 58.65 59.13 2hgi h GLN 18 Cb 0.33 0.15 -0.16 0.00 0.08 0.00 0.00 27.48 27.88 2hgi h GLN 18 CO -0.59 -0.43 -0.24 0.45 0.09 0.00 0.00 178.83 178.11 2hgi n SER 19 N -5.45 -0.37 0.00 0.06 2.88 0.50 0.79 113.62 112.04 2hgi n SER 19 Ca -0.09 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2hgi n SER 19 Cb 0.35 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2hgi n SER 19 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgi n LEU 20 N -5.39 0.00 -0.11 2.46 4.77 0.20 -0.58 117.00 118.35 2hgi n LEU 20 Ca 0.13 0.68 -0.03 0.00 -0.03 0.00 0.00 56.01 56.76 2hgi n LEU 20 Cb 0.42 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2hgi n LEU 20 CO -0.11 -0.18 0.28 0.29 -1.33 0.00 0.00 177.39 176.35 2hgi n LYS 21 N -1.36 -0.12 -0.01 3.23 5.02 0.24 -0.78 118.16 124.39 2hgi n LYS 21 Ca 0.00 0.71 -0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2hgi n LYS 21 Cb 0.00 -1.06 -0.00 0.00 -0.02 0.00 0.00 35.03 33.95 2hgi n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgi h ARG 22 N 0.00 -0.01 -0.74 1.97 3.08 -0.86 0.19 114.38 118.01 2hgi h ARG 22 Ca 0.04 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.22 2hgi h ARG 22 Cb 0.11 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.03 2hgi h ARG 22 CO -0.25 -0.00 -0.24 -2.13 -1.07 0.00 0.00 179.97 176.27 2hgi n ARG 23 N -2.85 -0.13 0.00 0.04 0.00 0.25 0.12 116.66 114.09 2hgi n ARG 23 Ca -0.00 1.15 0.00 0.00 -0.00 0.00 0.00 57.85 59.00 2hgi n ARG 23 Cb 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2hgi n ARG 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2hgi n LEU 24 N -5.14 0.00 -0.12 6.15 4.77 0.55 -1.41 117.00 121.80 2hgi n LEU 24 Ca 0.09 0.85 -0.06 0.00 -0.03 0.00 0.00 56.01 56.86 2hgi n LEU 24 Cb 0.33 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2hgi n LEU 24 CO -0.10 -0.35 0.50 -0.09 -1.33 0.00 0.00 177.39 176.02 2hgi h ARG 25 N 0.00 -0.12 -0.81 3.23 2.43 0.23 -0.69 114.38 118.65 2hgi h ARG 25 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2hgi h ARG 25 Cb 0.00 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 2hgi h ARG 25 CO 0.00 -0.08 0.46 -2.95 -1.51 0.00 0.00 179.97 175.89 2hgi h ASN 26 N -0.12 0.66 0.57 -3.80 -0.00 -1.21 0.49 115.58 112.16 2hgi h ASN 26 Ca 0.05 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.38 2hgi h ASN 26 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.50 2hgi h ASN 26 CO -0.37 0.37 -0.44 0.50 -0.00 0.00 0.00 177.43 177.50 2hgi h LYS 27 N 0.77 -0.94 -0.29 4.14 3.11 -0.63 -0.48 116.57 122.25 2hgi h LYS 27 Ca 0.39 0.06 0.03 0.00 -2.81 0.00 0.00 60.65 58.32 2hgi h LYS 27 Cb 0.36 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 2hgi h LYS 27 CO -0.25 -0.62 -0.17 0.00 -2.81 0.00 0.00 179.45 175.60 2hgi n ALA 28 N -2.70 -0.19 0.04 5.00 0.00 0.16 0.26 120.51 123.08 2hgi n ALA 28 Ca -0.12 0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 2hgi n ALA 28 Cb 0.42 0.02 0.23 0.00 0.00 0.00 0.00 19.45 20.12 2hgi n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2hgi h LYS 29 N 0.00 0.42 -0.10 0.00 1.57 -0.92 -0.74 116.57 116.81 2hgi h LYS 29 Ca 0.05 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2hgi h LYS 29 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2hgi h LYS 29 CO -0.27 0.65 0.02 -0.22 -0.57 0.00 0.00 179.45 179.05 2hgi h LYS 30 N 0.38 0.06 -0.35 3.15 3.64 0.53 0.47 116.57 124.45 2hgi h LYS 30 Ca 0.06 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2hgi h LYS 30 Cb 0.65 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 2hgi h LYS 30 CO 0.05 0.04 -0.45 0.66 -2.27 0.00 0.00 179.45 177.48 2hgi h SER 31 N 0.06 -1.51 0.00 4.20 4.64 -0.78 -0.37 113.55 119.79 2hgi h SER 31 Ca 0.04 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2hgi h SER 31 Cb 0.03 0.62 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2hgi h SER 31 CO -0.06 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.59 2hgi n ALA 32 N -3.02 0.00 -0.30 5.18 0.00 -0.31 -0.69 120.51 121.37 2hgi n ALA 32 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 2hgi n ALA 32 Cb 0.27 0.37 0.18 0.00 0.00 0.00 0.00 19.45 20.28 2hgi n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hgi n ILE 33 N -2.11 -0.36 0.00 0.00 5.41 0.08 -0.16 119.36 122.23 2hgi n ILE 33 Ca 0.00 1.90 0.00 0.00 1.00 0.00 0.00 62.75 65.65 2hgi n ILE 33 Cb 0.00 -2.70 0.00 0.00 -0.71 0.00 0.00 39.64 36.23 2hgi n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2hgi n LYS 34 N -5.30 0.00 -0.21 0.38 5.02 0.13 -0.61 118.16 117.57 2hgi n LYS 34 Ca 0.17 0.05 0.15 0.00 -2.02 0.00 0.00 58.31 56.66 2hgi n LYS 34 Cb 0.54 -0.97 0.28 0.00 -0.02 0.00 0.00 35.03 34.86 2hgi n LYS 34 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hgi n THR 35 N -0.52 -0.26 -0.04 -0.18 -2.24 0.78 0.26 114.28 112.07 2hgi n THR 35 Ca 0.00 1.32 -0.14 0.00 -2.27 0.00 0.00 64.05 62.96 2hgi n THR 35 Cb 0.00 -2.04 -0.09 0.00 -2.10 0.00 0.00 70.33 66.10 2hgi n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2hgi h LEU 36 N 0.00 0.28 -0.83 3.22 6.46 -0.93 -0.68 115.31 122.83 2hgi h LEU 36 Ca 0.46 -0.58 0.12 0.00 -0.12 0.00 0.00 57.88 57.77 2hgi h LEU 36 Cb 1.12 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.89 2hgi h LEU 36 CO -0.53 0.80 0.45 0.77 -0.62 0.00 0.00 178.44 179.31 2hgi h SER 37 N -0.24 0.60 0.00 1.25 4.64 0.59 0.06 113.55 120.45 2hgi h SER 37 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2hgi h SER 37 Cb 0.76 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2hgi h SER 37 CO 0.04 0.30 0.00 0.29 -0.87 0.00 0.00 176.83 176.59 2hgi n LYS 38 N -4.81 0.00 -0.23 4.77 5.02 0.14 -0.81 118.16 122.24 2hgi n LYS 38 Ca 0.15 0.55 0.04 0.00 -2.02 0.00 0.00 58.31 57.04 2hgi n LYS 38 Cb 0.36 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.98 2hgi n LYS 38 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2hgi n LYS 39 N -2.09 -0.06 0.06 1.97 4.81 -0.27 0.18 118.16 122.76 2hgi n LYS 39 Ca 0.00 1.00 -0.06 0.00 -0.87 0.00 0.00 58.31 58.38 2hgi n LYS 39 Cb 0.00 -1.51 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 2hgi n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgi h ALA 40 N 1.29 -0.77 -0.72 3.14 0.00 -0.63 0.82 119.26 122.39 2hgi h ALA 40 Ca 0.32 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.47 2hgi h ALA 40 Cb 0.50 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2hgi h ALA 40 CO -0.66 -0.81 0.34 -0.89 0.00 0.00 0.00 179.25 177.23 2hgi n ILE 41 N -3.57 -0.30 0.00 0.00 5.41 0.48 0.48 119.36 121.85 2hgi n ILE 41 Ca -0.04 1.49 0.00 0.00 1.00 0.00 0.00 62.75 65.20 2hgi n ILE 41 Cb 0.16 -2.38 0.00 0.00 -0.71 0.00 0.00 39.64 36.71 2hgi n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgi n GLN 42 N -4.69 0.00 -0.28 0.38 1.13 0.13 -0.73 117.38 113.32 2hgi n GLN 42 Ca 0.26 0.21 0.01 0.00 -1.94 0.00 0.00 57.00 55.54 2hgi n GLN 42 Cb 0.88 -1.17 0.06 0.00 0.11 0.00 0.00 30.24 30.12 2hgi n GLN 42 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2hgi n LEU 43 N -1.12 -0.40 0.18 1.08 4.77 0.18 0.19 117.00 121.88 2hgi n LEU 43 Ca 0.00 1.30 -0.14 0.00 -0.03 0.00 0.00 56.01 57.14 2hgi n LEU 43 Cb 0.00 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 2hgi n LEU 43 CO 0.00 -1.20 0.70 0.00 -1.33 0.00 0.00 177.39 175.56 2hgi h ALA 44 N 1.23 -0.52 -0.17 -1.18 0.00 -1.27 -0.26 119.26 117.08 2hgi h ALA 44 Ca 0.30 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2hgi h ALA 44 Cb 0.49 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2hgi h ALA 44 CO -0.75 -0.82 -0.11 0.37 0.00 0.00 0.00 179.25 177.93 2hgi h GLN 45 N -0.54 -0.01 -0.78 0.00 -0.00 0.44 -1.48 115.11 112.74 2hgi h GLN 45 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 58.81 2hgi h GLN 45 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 27.87 2hgi h GLN 45 CO -0.05 -0.01 0.28 1.05 0.00 0.00 0.00 178.83 180.11 2hgi h GLU 46 N -0.01 0.37 0.00 1.69 4.11 -0.81 -3.45 114.58 116.48 2hgi h GLU 46 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2hgi h GLU 46 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hgi h GLU 46 CO -0.17 0.24 0.00 0.41 0.07 0.00 0.00 179.01 179.57 2hgi n GLY 47 N -1.34 -0.01 2.83 1.06 0.00 -0.50 -5.05 105.19 102.17 2hgi n GLY 47 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2hgi n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgi n LYS 48 N 0.00 4.61 0.00 1.61 4.01 -0.23 -4.90 118.16 123.26 2hgi n LYS 48 Ca 0.00 -4.30 0.00 0.00 -0.51 0.00 0.00 58.31 53.50 2hgi n LYS 48 Cb 0.00 -2.58 0.00 0.00 -0.51 0.00 0.00 35.03 31.94 2hgi n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgi n ALA 49 N 1.42 0.00 -0.05 7.82 0.00 -1.26 -1.29 120.51 127.15 2hgi n ALA 49 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 2hgi n ALA 49 Cb 0.31 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 2hgi n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hgi h GLU 50 N 0.00 -0.01 -0.88 0.00 4.81 -1.90 -0.44 114.58 116.16 2hgi h GLU 50 Ca 0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 2hgi h GLU 50 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.25 2hgi h GLU 50 CO 0.00 -0.01 0.29 1.05 -0.73 0.00 0.00 179.01 179.61 2hgi h GLU 51 N -0.01 0.25 -0.46 1.92 9.09 -1.87 0.57 114.58 124.07 2hgi h GLU 51 Ca 0.02 -0.01 0.08 0.00 0.05 0.00 0.00 59.36 59.50 2hgi h GLU 51 Cb 0.07 -0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 27.04 2hgi h GLU 51 CO -0.13 0.16 0.01 0.00 0.05 0.00 0.00 179.01 179.11 2hgi h ALA 52 N 1.76 0.44 -0.71 1.06 0.00 0.23 -0.50 119.26 121.53 2hgi h ALA 52 Ca 0.56 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.57 2hgi h ALA 52 Cb 1.12 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2hgi h ALA 52 CO -0.62 -0.38 0.36 -0.07 0.00 0.00 0.00 179.25 178.54 2hgi h LEU 53 N 0.13 0.92 0.25 0.00 3.38 0.14 0.77 115.31 120.90 2hgi h LEU 53 Ca 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2hgi h LEU 53 Cb 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2hgi h LEU 53 CO -0.37 0.79 -0.51 0.11 0.09 0.00 0.00 178.44 178.55 2hgi h LYS 54 N 0.99 -0.80 -0.35 1.13 1.57 0.29 0.56 116.57 119.98 2hgi h LYS 54 Ca 0.25 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 2hgi h LYS 54 Cb 0.10 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2hgi h LYS 54 CO -0.03 -0.53 -0.51 0.82 -0.57 0.00 0.00 179.45 178.63 2hgi h ILE 55 N -0.83 0.04 -0.27 1.86 2.04 -1.04 1.00 117.51 120.31 2hgi h ILE 55 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2hgi h ILE 55 Cb 0.78 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2hgi h ILE 55 CO -0.20 0.00 -0.11 0.80 0.00 0.00 0.00 178.15 178.64 2hgi n MET 56 N -5.40 -0.07 0.00 2.37 1.56 0.25 0.12 117.12 115.95 2hgi n MET 56 Ca -0.03 0.41 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 2hgi n MET 56 Cb 0.35 -0.61 0.00 0.00 2.15 0.00 0.00 33.22 35.11 2hgi n MET 56 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2hgi n ARG 57 N -4.39 0.00 -0.22 2.12 1.74 0.34 -0.63 116.66 115.62 2hgi n ARG 57 Ca 0.02 0.47 0.17 0.00 -0.77 0.00 0.00 57.85 57.75 2hgi n ARG 57 Cb 0.10 -1.42 0.32 0.00 -1.02 0.00 0.00 32.46 30.45 2hgi n ARG 57 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgi n LYS 58 N -1.86 -0.04 0.00 5.56 4.76 0.33 0.21 118.16 127.12 2hgi n LYS 58 Ca 0.00 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 2hgi n LYS 58 Cb 0.00 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 2hgi n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgi n ALA 59 N -2.79 0.00 -0.09 7.82 0.00 0.36 -1.01 120.51 124.81 2hgi n ALA 59 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 2hgi n ALA 59 Cb 0.73 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.22 2hgi n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgi n GLU 60 N -0.54 -0.10 0.00 0.00 2.13 0.55 0.15 120.64 122.83 2hgi n GLU 60 Ca 0.00 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2hgi n GLU 60 Cb 0.00 -0.51 0.00 0.00 0.27 0.00 0.00 31.44 31.20 2hgi n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2hgi n SER 61 N -4.20 0.00 -0.32 4.31 3.41 -0.33 -1.25 113.62 115.24 2hgi n SER 61 Ca 0.00 0.88 0.14 0.00 -0.26 0.00 0.00 58.87 59.63 2hgi n SER 61 Cb 0.06 -0.38 0.27 0.00 -0.26 0.00 0.00 64.21 63.89 2hgi n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2hgi n LEU 62 N -2.08 -0.11 0.02 1.04 4.77 0.39 0.39 117.00 121.40 2hgi n LEU 62 Ca 0.00 1.58 -0.08 0.00 -0.03 0.00 0.00 56.01 57.48 2hgi n LEU 62 Cb 0.00 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 2hgi n LEU 62 CO 0.00 -1.60 0.50 0.40 -1.33 0.00 0.00 177.39 175.37 2hgi h ILE 63 N 0.00 0.00 -0.78 -0.08 2.04 0.42 0.66 117.51 119.77 2hgi h ILE 63 Ca 0.56 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.51 2hgi h ILE 63 Cb 1.15 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 2hgi h ILE 63 CO -0.88 0.00 0.43 0.44 0.00 0.00 0.00 178.15 178.15 2hgi h ASP 64 N -0.33 0.61 -0.95 1.72 3.32 0.13 0.46 116.42 121.38 2hgi h ASP 64 Ca 0.01 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.24 2hgi h ASP 64 Cb 0.36 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 39.70 2hgi h ASP 64 CO -0.20 0.36 -0.40 0.29 -1.72 0.00 0.00 179.24 177.57 2hgi n LYS 65 N -4.77 -0.25 -0.02 3.56 4.76 0.51 0.68 118.16 122.63 2hgi n LYS 65 Ca 0.12 1.46 -0.09 0.00 -2.87 0.00 0.00 58.31 56.93 2hgi n LYS 65 Cb 0.26 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.26 2hgi n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgi h ALA 66 N 1.19 -0.03 -0.40 7.82 0.00 0.75 0.13 119.26 128.72 2hgi h ALA 66 Ca 0.30 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2hgi h ALA 66 Cb 0.54 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2hgi h ALA 66 CO -0.94 -0.58 -0.14 0.00 0.00 0.00 0.00 179.25 177.59 2hgi n ALA 67 N -2.57 -0.02 -0.75 0.00 0.00 3.21 -1.86 120.51 118.51 2hgi n ALA 67 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2hgi n ALA 67 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2hgi n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgi n LYS 68 N -4.60 0.00 0.00 0.00 4.76 0.44 -4.66 118.16 114.10 2hgi n LYS 68 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2hgi n LYS 68 Cb 0.17 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 2hgi n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hgi n GLY 69 N 0.00 -0.47 0.77 0.72 0.00 -0.78 -4.83 105.19 100.61 2hgi n GLY 69 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2hgi n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgi n SER 70 N 0.00 3.39 0.00 1.61 3.41 -1.26 -4.87 113.62 115.89 2hgi n SER 70 Ca 0.00 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2hgi n SER 70 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2hgi n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hgi n THR 71 N 0.07 0.00 -0.88 6.66 -1.04 -1.26 -4.88 114.28 112.95 2hgi n THR 71 Ca 0.16 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.83 2hgi n THR 71 Cb 0.64 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.24 2hgi n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hgi n LEU 72 N 0.00 -2.71 0.00 -4.42 4.77 -1.26 -4.91 117.00 108.47 2hgi n LEU 72 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2hgi n LEU 72 Cb 0.00 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2hgi n LEU 72 CO 0.00 -4.58 0.00 1.57 -1.33 0.00 0.00 177.39 173.05 2hgi n HIS 73 N -3.17 0.00 0.00 -1.77 -0.00 -1.26 -4.08 115.22 104.93 2hgi n HIS 73 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2hgi n HIS 73 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 2hgi n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2hgi n LYS 74 N 0.00 0.00 -0.22 1.57 4.76 -1.26 0.31 118.16 123.32 2hgi n LYS 74 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 2hgi n LYS 74 Cb 0.00 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.32 2hgi n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2hgi n ASN 75 N -0.09 2.00 0.00 4.39 2.04 -1.26 -4.27 115.26 118.07 2hgi n ASN 75 Ca 0.00 -2.16 0.00 0.00 -0.44 0.00 0.00 54.58 51.98 2hgi n ASN 75 Cb 0.00 -0.36 0.00 0.00 -2.53 0.00 0.00 39.78 36.89 2hgi n ASN 75 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2hgi n ALA 76 N 0.24 -0.13 -0.27 -2.53 0.00 0.91 -0.67 120.51 118.06 2hgi n ALA 76 Ca 0.09 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.79 2hgi n ALA 76 Cb 0.39 0.03 0.47 0.00 0.00 0.00 0.00 19.45 20.35 2hgi n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi n ALA 77 N -1.01 0.85 -0.68 0.00 0.00 -1.08 -0.04 120.51 118.56 2hgi n ALA 77 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.20 2hgi n ALA 77 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2hgi n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi n ALA 78 N -2.45 -0.09 -0.35 0.00 0.00 -0.50 -0.81 120.51 116.30 2hgi n ALA 78 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.74 2hgi n ALA 78 Cb 1.05 0.15 0.05 0.00 0.00 0.00 0.00 19.45 20.70 2hgi n ALA 78 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2hgi n ARG 79 N -1.29 -0.20 -0.29 0.00 0.00 0.94 0.19 116.66 116.01 2hgi n ARG 79 Ca 0.00 1.43 -0.07 0.00 -0.00 0.00 0.00 57.85 59.20 2hgi n ARG 79 Cb 0.00 -2.12 -0.03 0.00 -0.00 0.00 0.00 32.46 30.31 2hgi n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgi h ARG 80 N 0.00 -0.12 -0.01 2.89 2.47 -0.52 0.23 114.38 119.31 2hgi h ARG 80 Ca 0.34 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2hgi h ARG 80 Cb 0.57 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 2hgi h ARG 80 CO -0.92 -0.08 -0.04 0.87 0.56 0.00 0.00 179.97 180.35 2hgi h LYS 81 N -0.13 -0.05 -0.24 0.04 1.57 0.41 -0.04 116.57 118.14 2hgi h LYS 81 Ca 0.22 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2hgi h LYS 81 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2hgi h LYS 81 CO -0.81 -0.03 -0.14 -1.13 -0.57 0.00 0.00 179.45 176.76 2hgi n SER 82 N -2.79 -0.26 -0.12 0.86 3.41 0.64 0.23 113.62 115.59 2hgi n SER 82 Ca -0.01 0.83 -0.05 0.00 -0.26 0.00 0.00 58.87 59.39 2hgi n SER 82 Cb 0.03 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 2hgi n SER 82 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hgi h ARG 83 N 0.00 0.02 0.00 4.33 3.08 -1.08 -1.15 114.38 119.57 2hgi h ARG 83 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2hgi h ARG 83 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2hgi h ARG 83 CO -0.23 0.01 0.00 -0.11 -1.07 0.00 0.00 179.97 178.57 2hgi n LEU 84 N -5.29 0.00 -0.20 3.04 -0.00 0.61 -0.91 117.00 114.25 2hgi n LEU 84 Ca 0.02 0.54 0.01 0.00 -0.00 0.00 0.00 56.01 56.58 2hgi n LEU 84 Cb 0.22 -0.04 0.11 0.00 -0.00 0.00 0.00 43.42 43.71 2hgi n LEU 84 CO 0.16 -0.04 0.87 0.00 -0.00 0.00 0.00 177.39 178.38 2hgi h MET 85 N 0.00 0.18 -0.26 1.96 -0.00 -0.95 0.73 114.93 116.59 2hgi h MET 85 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.75 2hgi h MET 85 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 31.60 31.49 2hgi h MET 85 CO 0.00 0.12 -0.20 0.07 -0.00 0.00 0.00 176.91 176.89 2hgi h ARG 86 N 0.18 -0.18 0.79 -0.10 0.11 -1.09 -0.56 114.38 113.52 2hgi h ARG 86 Ca 0.33 0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.38 2hgi h ARG 86 Cb 0.52 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2hgi h ARG 86 CO -0.48 -0.12 -0.43 -0.22 0.10 0.00 0.00 179.97 178.82 2hgi h LYS 87 N -0.19 -1.09 -0.42 0.08 1.63 0.90 0.53 116.57 118.01 2hgi h LYS 87 Ca 0.14 0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2hgi h LYS 87 Cb 0.41 0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 2hgi h LYS 87 CO -0.37 -0.72 -0.25 0.28 -3.45 0.00 0.00 179.45 174.93 2hgi n VAL 88 N -5.18 -0.29 -0.06 2.00 0.31 0.06 0.21 118.33 115.38 2hgi n VAL 88 Ca -0.14 1.42 -0.14 0.00 -0.01 0.00 0.00 64.34 65.47 2hgi n VAL 88 Cb 0.46 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 2hgi n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2hgi h ARG 89 N 0.00 -0.47 -0.05 5.55 2.43 -0.93 -0.45 114.38 120.45 2hgi h ARG 89 Ca 0.07 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2hgi h ARG 89 Cb 0.17 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2hgi h ARG 89 CO -0.40 -0.32 -0.03 1.04 -1.51 0.00 0.00 179.97 178.75 2hgi n GLN 90 N -5.28 -0.02 -0.31 0.20 3.00 0.57 0.23 117.38 115.76 2hgi n GLN 90 Ca -0.05 0.68 0.05 0.00 -0.01 0.00 0.00 57.00 57.67 2hgi n GLN 90 Cb 0.35 -1.01 0.20 0.00 0.00 0.00 0.00 30.24 29.78 2hgi n GLN 90 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 2hgi h LEU 91 N 0.00 0.73 -4.01 1.08 -0.00 -0.77 -0.51 115.31 111.83 2hgi h LEU 91 Ca 0.01 0.06 -0.13 0.00 -0.00 0.00 0.00 57.88 57.82 2hgi h LEU 91 Cb 0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 40.55 2hgi h LEU 91 CO -0.05 0.38 -0.19 0.18 -0.00 0.00 0.00 178.44 178.77 2hgi n LEU 92 N -4.73 4.28 -1.79 0.17 4.77 0.62 -2.67 117.00 117.65 2hgi n LEU 92 Ca 0.16 -2.56 -0.02 0.00 -0.03 0.00 0.00 56.01 53.57 2hgi n LEU 92 Cb 0.34 -1.11 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2hgi n LEU 92 CO 0.26 1.21 0.26 -0.62 -1.33 0.00 0.00 177.39 177.17 2hgi n GLU 93 N 2.42 0.56 -0.98 3.23 1.02 -0.20 -4.50 120.64 122.19 2hgi n GLU 93 Ca 0.29 -1.76 -0.06 0.00 -0.02 0.00 0.00 57.16 55.61 2hgi n GLU 93 Cb 0.69 -0.02 0.29 0.00 -0.02 0.00 0.00 31.44 32.38 2hgi n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hgi n ALA 94 N -0.27 4.51 -1.68 0.62 0.00 -1.09 -4.89 120.51 117.71 2hgi n ALA 94 Ca -0.10 -2.44 -0.01 0.00 0.00 0.00 0.00 53.44 50.89 2hgi n ALA 94 Cb 0.88 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2hgi n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi n ALA 95 N -0.32 -3.02 -0.45 0.00 0.00 -1.26 -5.08 120.51 110.37 2hgi n ALA 95 Ca 0.40 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2hgi n ALA 95 Cb 1.35 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.40 2hgi n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgi n GLY 96 N -0.29 1.00 1.81 0.00 0.00 -1.26 -5.15 105.19 101.30 2hgi n GLY 96 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hgi n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi n ALA 97 N 0.00 -1.53 -1.53 4.61 0.00 -1.26 -4.58 120.51 116.21 2hgi n ALA 97 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 2hgi n ALA 97 Cb 0.07 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 2hgi n ALA 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hgi n PRO 98 N 1.44 0.46 0.00 0.00 -0.04 -1.26 -4.89 135.00 130.72 2hgi n PRO 98 Ca 0.00 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2hgi n PRO 98 Cb 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 2hgi n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hgi n LEU 99 N 13.56 0.00 -2.39 1.53 4.77 -1.26 -3.36 117.00 129.85 2hgi n LEU 99 Ca 0.52 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2hgi n LEU 99 Cb 0.32 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2hgi n LEU 99 CO 0.79 0.00 1.96 2.30 -1.33 0.00 0.00 177.39 181.10 2hgi n ILE 100 N 0.00 3.40 -0.58 -0.08 -5.35 -1.26 -4.84 119.36 110.64 2hgi n ILE 100 Ca 0.00 -2.10 -0.37 0.00 -0.27 0.00 0.00 62.75 60.01 2hgi n ILE 100 Cb 0.00 -2.04 -0.10 0.00 -1.74 0.00 0.00 39.64 35.76 2hgi n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hgi n GLY 101 N 2.35 0.44 0.00 3.28 0.00 -1.21 -4.61 105.19 105.44 2hgi n GLY 101 Ca 0.51 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2hgi n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 102 N 4.74 1.26 0.18 -0.02 0.00 -1.26 -4.30 105.19 105.80 2hgi n GLY 102 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2hgi n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 103 N 2.93 -0.27 3.13 -0.02 0.00 -1.26 -3.29 105.19 106.41 2hgi n GLY 103 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2hgi n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgi s LEU 104 N -3.31 4.75 0.00 0.99 1.43 -1.26 -5.06 118.68 116.22 2hgi s LEU 104 Ca 0.00 -1.77 -0.04 0.00 -1.03 0.00 0.00 54.13 51.29 2hgi s LEU 104 Cb 0.00 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.51 2hgi s LEU 104 CO 0.00 -0.43 0.15 -1.54 0.23 0.00 0.00 176.35 174.76 2hgi n SER 105 N 4.58 -1.70 0.00 2.29 3.41 -1.21 -4.88 113.62 116.11 2hgi n SER 105 Ca -0.05 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2hgi n SER 105 Cb 0.42 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2hgi n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88