#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hma h ASP 3 N 0.00 0.28 -3.54 -3.46 3.32 -2.02 -3.44 116.42 107.56 1hma h ASP 3 Ca 0.00 -0.26 -0.52 0.00 0.02 0.00 0.00 57.03 56.26 1hma h ASP 3 Cb 0.00 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1hma h ASP 3 CO 0.00 1.13 0.28 -0.75 -1.72 0.00 0.00 179.24 178.18 1hma s LYS 4 N -2.95 4.64 0.75 3.56 2.20 -1.26 -4.47 119.74 122.21 1hma s LYS 4 Ca -0.03 1.31 -0.11 0.00 -0.36 0.00 0.00 55.97 56.78 1hma s LYS 4 Cb 0.09 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1hma s LYS 4 CO 0.85 0.31 1.10 -1.25 -0.36 0.00 0.00 175.35 176.00 1hma s PRO 5 N -0.30 2.52 -0.25 4.03 0.04 -1.26 -4.94 135.00 134.84 1hma s PRO 5 Ca 0.42 0.51 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 1hma s PRO 5 Cb -0.23 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1hma s PRO 5 CO 0.28 -1.28 2.01 0.21 0.04 0.00 0.00 177.00 178.25 1hma s LYS 6 N -5.29 3.28 0.37 4.56 2.20 -1.26 -4.92 119.74 118.67 1hma s LYS 6 Ca 0.59 1.79 -0.28 0.00 -0.36 0.00 0.00 55.97 57.71 1hma s LYS 6 Cb -0.12 -4.28 -0.10 0.00 -1.51 0.00 0.00 37.83 31.82 1hma s LYS 6 CO 0.53 -1.92 1.40 -0.98 -0.36 0.00 0.00 175.35 174.01 1hma s ARG 7 N 5.92 4.17 0.43 4.03 1.70 -1.26 -4.67 118.95 129.27 1hma s ARG 7 Ca 0.90 2.39 -0.23 0.00 -0.47 0.00 0.00 55.73 58.32 1hma s ARG 7 Cb -0.29 -2.97 -0.08 0.00 -0.57 0.00 0.00 34.95 31.04 1hma s ARG 7 CO 0.34 -0.41 1.12 -1.25 -1.08 0.00 0.00 175.30 174.02 1hma s PRO 8 N -2.01 3.93 0.30 3.89 0.04 -1.26 -5.01 135.00 134.88 1hma s PRO 8 Ca 0.52 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1hma s PRO 8 Cb -0.43 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1hma s PRO 8 CO 0.58 -0.38 0.46 1.47 0.04 0.00 0.00 177.00 179.17 1hma n LEU 9 N -0.32 0.00 -4.84 -3.56 -0.00 -1.26 -5.10 117.00 101.92 1hma n LEU 9 Ca 0.06 -2.28 -0.32 0.00 -0.00 0.00 0.00 56.01 53.47 1hma n LEU 9 Cb 0.49 2.36 -0.03 0.00 -0.00 0.00 0.00 43.42 46.24 1hma n LEU 9 CO 0.46 -0.58 0.69 -0.55 -0.00 0.00 0.00 177.39 177.41 1hma s SER 10 N -2.75 6.52 0.15 1.45 0.15 -1.26 -4.87 113.70 113.08 1hma s SER 10 Ca 0.21 1.59 -0.14 0.00 0.70 0.00 0.00 55.95 58.31 1hma s SER 10 Cb -0.02 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1hma s SER 10 CO 0.15 -0.66 1.68 0.00 1.20 0.00 0.00 173.24 175.61 1hma h ALA 11 N 0.80 0.64 -0.51 5.45 0.00 -1.93 -1.54 119.26 122.17 1hma h ALA 11 Ca -0.47 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.41 1hma h ALA 11 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1hma h ALA 11 CO 0.61 0.28 0.49 -0.92 0.00 0.00 0.00 179.25 179.71 1hma h TYR 12 N 0.65 0.00 0.03 0.00 3.20 -1.98 0.12 116.97 119.00 1hma h TYR 12 Ca 0.16 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1hma h TYR 12 Cb 0.26 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.55 1hma h TYR 12 CO 0.01 0.00 -0.65 0.52 -1.64 0.00 0.00 178.16 176.41 1hma h MET 13 N 0.00 0.38 -0.29 1.82 2.86 -1.67 -1.52 114.93 116.52 1hma h MET 13 Ca 0.24 -0.45 0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1hma h MET 13 Cb 1.22 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 1hma h MET 13 CO -0.00 1.13 -0.19 -0.07 1.06 0.00 0.00 176.91 178.84 1hma h LEU 14 N -0.16 -0.62 -1.20 1.22 3.38 -0.52 0.21 115.31 117.62 1hma h LEU 14 Ca -0.09 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1hma h LEU 14 Cb 1.38 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1hma h LEU 14 CO 0.13 -0.22 0.06 -0.25 0.09 0.00 0.00 178.44 178.24 1hma h TRP 15 N -0.16 0.63 0.00 1.13 7.01 -1.53 -1.23 115.95 121.81 1hma h TRP 15 Ca 0.16 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1hma h TRP 15 Cb 0.40 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1hma h TRP 15 CO -0.38 0.57 -0.00 1.25 -2.79 0.00 0.00 178.44 177.09 1hma h LEU 16 N 0.59 0.00 0.03 0.65 7.12 0.42 -1.20 115.31 122.92 1hma h LEU 16 Ca 0.13 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.89 1hma h LEU 16 Cb 0.29 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 1hma h LEU 16 CO 0.00 0.00 -1.26 0.78 -0.13 0.00 0.00 178.44 177.84 1hma h ASN 17 N 0.00 0.09 0.36 1.25 2.35 0.18 -1.37 115.58 118.43 1hma h ASN 17 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1hma h ASN 17 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1hma h ASN 17 CO 0.00 1.09 0.00 -1.54 -1.65 0.00 0.00 177.43 175.33 1hma n SER 18 N -3.31 0.00 0.00 5.81 3.41 -0.55 -3.27 113.62 115.72 1hma n SER 18 Ca -0.07 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1hma n SER 18 Cb 0.99 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1hma n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hma n ALA 19 N -1.18 1.65 0.23 7.33 0.00 -0.65 -4.67 120.51 123.22 1hma n ALA 19 Ca 0.18 -0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1hma n ALA 19 Cb 0.19 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.44 1hma n ALA 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1hma h ARG 20 N 0.00 0.00 0.00 0.00 2.43 -1.23 0.17 114.38 115.75 1hma h ARG 20 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hma h ARG 20 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1hma h ARG 20 CO 0.00 0.00 -0.00 1.49 -1.51 0.00 0.00 179.97 179.95 1hma h GLU 21 N 0.00 -0.00 0.00 0.20 4.81 -1.83 -1.75 114.58 116.01 1hma h GLU 21 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hma h GLU 21 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1hma h GLU 21 CO 0.00 -0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.15 1hma n SER 22 N -3.68 0.12 0.01 1.04 3.41 -1.10 -2.12 113.62 111.29 1hma n SER 22 Ca -0.00 0.54 -0.22 0.00 -0.26 0.00 0.00 58.87 58.93 1hma n SER 22 Cb 0.00 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.25 1hma n SER 22 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1hma h ILE 23 N 0.00 0.92 -0.15 -1.33 2.04 -0.74 -2.98 117.51 115.28 1hma h ILE 23 Ca 0.00 -2.38 -0.06 0.00 1.00 0.00 0.00 64.86 63.42 1hma h ILE 23 Cb 0.17 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1hma h ILE 23 CO 0.00 0.73 -0.19 0.07 0.00 0.00 0.00 178.15 178.76 1hma h LYS 24 N -0.24 0.25 0.00 2.37 2.10 -0.77 -2.54 116.57 117.73 1hma h LYS 24 Ca -0.34 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1hma h LYS 24 Cb 1.82 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1hma h LYS 24 CO 0.05 0.44 -0.01 0.00 -2.00 0.00 0.00 179.45 177.94 1hma h ARG 25 N 0.23 0.00 -0.96 0.07 3.08 -1.61 -3.31 114.38 111.88 1hma h ARG 25 Ca 0.04 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.37 1hma h ARG 25 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1hma h ARG 25 CO 0.03 0.00 1.02 0.93 -1.07 0.00 0.00 179.97 180.88 1hma h GLU 26 N -0.34 0.00 -6.21 0.04 5.08 -1.62 -3.39 114.58 108.15 1hma h GLU 26 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1hma h GLU 26 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1hma h GLU 26 CO 0.00 0.00 -0.30 -0.80 -1.00 0.00 0.00 179.01 176.91 1hma s ASN 27 N -4.06 6.46 -1.25 1.42 0.01 -0.96 -4.99 114.94 111.57 1hma s ASN 27 Ca -0.03 0.55 -0.17 0.00 -0.71 0.00 0.00 52.86 52.49 1hma s ASN 27 Cb 0.16 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1hma s ASN 27 CO 0.54 0.01 2.03 -0.81 -1.51 0.00 0.00 177.10 177.36 1hma n PRO 28 N -0.19 2.52 -2.23 -0.60 -0.04 -1.26 -4.35 135.00 128.85 1hma n PRO 28 Ca -0.03 -2.57 -0.05 0.00 -0.04 0.00 0.00 63.50 60.81 1hma n PRO 28 Cb 0.52 -3.29 -0.01 0.00 -0.04 0.00 0.00 33.50 30.68 1hma n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hma n GLY 29 N 4.62 -0.32 2.95 0.55 0.00 -1.26 -4.75 105.19 106.99 1hma n GLY 29 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 1hma n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hma n ILE 30 N -2.57 0.04 -1.23 -0.61 3.06 -1.26 -4.87 119.36 111.92 1hma n ILE 30 Ca -0.06 -0.45 -0.31 0.00 -2.50 0.00 0.00 62.75 59.43 1hma n ILE 30 Cb 0.47 0.00 0.10 0.00 0.54 0.00 0.00 39.64 40.75 1hma n ILE 30 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1hma s LYS 31 N -0.91 2.14 0.42 9.51 3.01 -1.26 -4.77 119.74 127.89 1hma s LYS 31 Ca 0.52 1.24 0.12 0.00 -1.01 0.00 0.00 55.97 56.84 1hma s LYS 31 Cb -0.46 -1.88 0.92 0.00 -1.01 0.00 0.00 37.83 35.40 1hma s LYS 31 CO 0.60 -1.74 1.98 -0.24 0.51 0.00 0.00 175.35 176.45 1hma h VAL 32 N -1.12 1.14 0.00 3.17 3.04 -1.99 0.54 116.25 121.03 1hma h VAL 32 Ca -0.44 -0.61 -0.06 0.00 -1.01 0.00 0.00 66.70 64.58 1hma h VAL 32 Cb 1.24 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1hma h VAL 32 CO 0.50 0.19 -0.30 0.71 -1.01 0.00 0.00 177.57 177.66 1hma h THR 33 N 0.13 0.68 -0.00 3.17 1.35 -2.01 -2.91 112.91 113.32 1hma h THR 33 Ca 0.03 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1hma h THR 33 Cb 0.29 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1hma h THR 33 CO 0.02 0.29 -0.81 -0.62 -0.25 0.00 0.00 175.52 174.15 1hma n GLU 34 N -3.41 0.20 0.01 4.72 1.02 -0.56 -4.18 120.64 118.45 1hma n GLU 34 Ca 0.00 -0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 56.83 1hma n GLU 34 Cb 0.49 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hma h VAL 35 N 0.39 1.32 0.00 2.62 2.07 -0.73 -2.70 116.25 119.22 1hma h VAL 35 Ca 0.00 -2.10 -0.12 0.00 0.82 0.00 0.00 66.70 65.30 1hma h VAL 35 Cb 0.54 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1hma h VAL 35 CO 0.00 0.65 -0.57 0.00 0.02 0.00 0.00 177.57 177.68 1hma h ALA 36 N 0.65 1.02 0.47 1.67 0.00 -1.73 -0.70 119.26 120.65 1hma h ALA 36 Ca -0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1hma h ALA 36 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1hma h ALA 36 CO 0.16 0.71 -0.23 -0.22 0.00 0.00 0.00 179.25 179.67 1hma h LYS 37 N 0.00 -0.61 0.00 0.00 1.63 -1.71 -2.12 116.57 113.76 1hma h LYS 37 Ca -0.01 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1hma h LYS 37 Cb 1.03 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1hma h LYS 37 CO 0.07 -0.41 0.00 0.00 -3.45 0.00 0.00 179.45 175.66 1hma h ARG 38 N -1.07 0.00 0.00 1.90 -0.00 -1.55 -2.10 114.38 111.55 1hma h ARG 38 Ca -0.07 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.22 1hma h ARG 38 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.43 1hma h ARG 38 CO 0.11 0.00 -0.93 0.78 0.00 0.00 0.00 179.97 179.93 1hma h GLY 39 N 1.42 0.00 2.00 0.04 0.00 -1.05 -3.17 103.07 102.31 1hma h GLY 39 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1hma h GLY 39 CO 0.00 0.00 -0.27 -1.33 0.00 0.00 0.00 176.54 174.94 1hma h GLY 40 N 2.93 0.00 -0.08 4.60 0.00 -0.67 -3.07 103.07 106.79 1hma h GLY 40 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.49 1hma h GLY 40 CO 0.12 0.00 0.23 1.05 0.00 0.00 0.00 176.54 177.94 1hma h GLU 41 N 0.00 0.31 0.07 4.80 4.11 -1.57 0.63 114.58 122.92 1hma h GLU 41 Ca -0.00 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.17 1hma h GLU 41 Cb 0.73 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1hma h GLU 41 CO 0.04 0.20 -1.09 -0.07 0.07 0.00 0.00 179.01 178.16 1hma h LEU 42 N 0.32 0.38 -1.28 3.06 3.38 -1.73 -3.08 115.31 116.36 1hma h LEU 42 Ca 0.44 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1hma h LEU 42 Cb 0.77 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1hma h LEU 42 CO -0.50 1.23 0.00 1.87 0.09 0.00 0.00 178.44 181.13 1hma n TRP 43 N -3.59 0.72 0.49 1.13 -0.00 0.09 -2.74 117.44 113.53 1hma n TRP 43 Ca -0.06 0.36 -0.19 0.00 -0.00 0.00 0.00 57.50 57.61 1hma n TRP 43 Cb 0.93 -1.08 -0.09 0.00 -0.00 0.00 0.00 31.31 31.08 1hma n TRP 43 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 1hma h ARG 44 N 0.00 -1.19 -0.64 5.87 2.43 -1.11 -2.44 114.38 117.29 1hma h ARG 44 Ca 0.00 0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 1hma h ARG 44 Cb 0.05 0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1hma h ARG 44 CO 0.00 -0.80 0.44 0.00 -1.51 0.00 0.00 179.97 178.10 1hma h ALA 45 N -1.37 2.27 -0.98 2.80 0.00 -1.72 -2.57 119.26 117.70 1hma h ALA 45 Ca -0.13 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.09 1hma h ALA 45 Cb 0.95 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1hma h ALA 45 CO 0.21 -0.44 0.66 -0.12 0.00 0.00 0.00 179.25 179.56 1hma n MET 46 N -4.43 -0.01 0.00 0.00 0.00 -0.92 -4.30 117.12 107.45 1hma n MET 46 Ca 0.12 0.72 0.00 0.00 0.00 0.00 0.00 57.70 58.54 1hma n MET 46 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.26 1hma n MET 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1hma n LYS 47 N -3.60 0.00 -2.46 2.12 4.81 -0.97 -2.98 118.16 115.08 1hma n LYS 47 Ca 0.25 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.30 1hma n LYS 47 Cb 1.06 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.09 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1hma s ASP 48 N -0.35 6.41 -0.01 3.14 1.11 -1.26 -4.68 116.67 121.02 1hma s ASP 48 Ca 0.00 -2.16 0.10 0.00 0.18 0.00 0.00 52.55 50.66 1hma s ASP 48 Cb 0.00 -2.58 0.30 0.00 1.07 0.00 0.00 42.92 41.71 1hma s ASP 48 CO 0.00 -1.62 1.22 0.29 1.18 0.00 0.00 175.17 176.24 1hma n LYS 49 N 8.43 1.88 0.09 8.23 4.01 -1.16 -4.25 118.16 135.40 1hma n LYS 49 Ca 0.47 -1.21 0.18 0.00 -0.51 0.00 0.00 58.31 57.24 1hma n LYS 49 Cb 0.47 -1.33 0.56 0.00 -0.51 0.00 0.00 35.03 34.22 1hma n LYS 49 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1hma h SER 50 N 1.90 0.00 0.24 4.39 4.64 -1.90 -1.03 113.55 121.80 1hma h SER 50 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1hma h SER 50 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1hma h SER 50 CO 0.03 0.00 -0.12 -0.08 -0.87 0.00 0.00 176.83 175.79 1hma h GLU 51 N 0.00 -0.31 0.55 4.77 4.81 -1.98 -2.54 114.58 119.87 1hma h GLU 51 Ca 0.21 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1hma h GLU 51 Cb 1.66 0.07 0.01 0.00 0.63 0.00 0.00 28.75 31.12 1hma h GLU 51 CO -0.00 -0.21 -0.26 -1.49 -0.73 0.00 0.00 179.01 176.32 1hma h TRP 52 N -0.33 -0.68 -0.52 0.92 4.06 -1.59 -2.86 115.95 114.95 1hma h TRP 52 Ca -0.03 -0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.02 1hma h TRP 52 Cb 0.25 0.23 -0.10 0.00 -1.00 0.00 0.00 29.16 28.54 1hma h TRP 52 CO 0.14 -0.42 -0.07 0.39 -3.56 0.00 0.00 178.44 174.92 1hma n GLU 53 N -4.54 -0.04 0.01 0.49 1.02 -0.58 0.26 120.64 117.25 1hma n GLU 53 Ca -0.09 0.80 -0.13 0.00 -0.02 0.00 0.00 57.16 57.72 1hma n GLU 53 Cb 0.29 -1.23 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 1hma n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 54 N 1.04 -0.00 -0.72 0.62 0.00 -1.43 -2.82 119.26 115.95 1hma h ALA 54 Ca 0.28 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.19 1hma h ALA 54 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1hma h ALA 54 CO -0.52 -0.38 0.28 0.87 0.00 0.00 0.00 179.25 179.50 1hma h LYS 55 N -0.25 0.42 -0.59 0.00 1.79 0.37 -0.32 116.57 117.99 1hma h LYS 55 Ca -0.00 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1hma h LYS 55 Cb 0.25 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 1hma h LYS 55 CO 0.00 0.28 0.26 0.00 -1.08 0.00 0.00 179.45 178.91 1hma h ALA 56 N 1.52 0.76 -0.43 3.86 0.00 -0.79 -0.97 119.26 123.22 1hma h ALA 56 Ca 0.39 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1hma h ALA 56 Cb 0.56 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1hma h ALA 56 CO -0.38 -0.12 0.12 0.00 0.00 0.00 0.00 179.25 178.87 1hma h ALA 57 N 1.36 0.49 -0.38 0.00 0.00 -0.83 -1.55 119.26 118.35 1hma h ALA 57 Ca 0.28 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1hma h ALA 57 Cb 0.27 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1hma h ALA 57 CO -0.24 -0.28 -0.25 0.87 0.00 0.00 0.00 179.25 179.35 1hma h LYS 58 N 0.27 -0.18 -0.43 0.00 1.57 -0.58 0.49 116.57 117.71 1hma h LYS 58 Ca 0.20 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1hma h LYS 58 Cb 0.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1hma h LYS 58 CO -0.24 -0.12 0.29 0.00 -0.57 0.00 0.00 179.45 178.81 1hma h ALA 59 N 0.97 1.92 -0.14 3.86 0.00 -0.95 -1.73 119.26 123.19 1hma h ALA 59 Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1hma h ALA 59 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1hma h ALA 59 CO -0.50 0.00 0.04 -0.22 0.00 0.00 0.00 179.25 178.58 1hma h LYS 60 N 0.38 0.10 -0.09 0.00 3.11 0.92 1.02 116.57 122.01 1hma h LYS 60 Ca 0.18 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 1hma h LYS 60 Cb 0.25 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1hma h LYS 60 CO -0.04 0.07 -0.01 0.22 -2.81 0.00 0.00 179.45 176.87 1hma h ASP 61 N 0.10 0.17 0.48 4.20 1.82 -0.52 -0.48 116.42 122.19 1hma h ASP 61 Ca 0.06 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1hma h ASP 61 Cb 0.04 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1hma h ASP 61 CO -0.07 0.48 0.00 0.47 -1.61 0.00 0.00 179.24 178.51 1hma n ASP 62 N -4.80 0.00 -0.08 2.28 8.00 -0.73 -2.67 116.55 118.55 1hma n ASP 62 Ca -0.06 0.18 -0.19 0.00 0.71 0.00 0.00 54.79 55.42 1hma n ASP 62 Cb 0.22 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.83 1hma n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hma n TYR 63 N -1.36 0.46 -0.03 1.24 9.36 0.35 -2.81 117.16 124.37 1hma n TYR 63 Ca 0.08 0.10 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 1hma n TYR 63 Cb 0.18 -1.06 0.02 0.00 -0.63 0.00 0.00 39.34 37.86 1hma n TYR 63 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1hma h ASP 64 N 0.00 0.76 0.13 2.98 1.82 -1.07 -0.56 116.42 120.47 1hma h ASP 64 Ca -0.52 -0.39 -0.27 0.00 -0.39 0.00 0.00 57.03 55.45 1hma h ASP 64 Cb 1.94 -0.22 0.02 0.00 0.68 0.00 0.00 39.33 41.75 1hma h ASP 64 CO -0.03 1.14 -1.09 -0.09 -1.61 0.00 0.00 179.24 177.55 1hma h ARG 65 N 0.54 0.61 0.00 0.28 2.43 -1.70 -3.26 114.38 113.28 1hma h ARG 65 Ca 0.02 -0.71 -0.16 0.00 -0.81 0.00 0.00 59.98 58.31 1hma h ARG 65 Cb 1.08 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1hma h ARG 65 CO 0.11 1.30 -0.77 0.00 -1.51 0.00 0.00 179.97 179.09 1hma h ALA 66 N 0.44 0.67 -0.51 2.80 0.00 -1.50 -3.23 119.26 117.94 1hma h ALA 66 Ca -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1hma h ALA 66 Cb 1.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1hma h ALA 66 CO 0.21 0.96 0.18 -0.39 0.00 0.00 0.00 179.25 180.22 1hma h VAL 67 N 0.00 1.22 -0.84 0.00 -1.51 -1.17 -0.92 116.25 113.03 1hma h VAL 67 Ca -0.01 -0.71 0.21 0.00 -1.23 0.00 0.00 66.70 64.97 1hma h VAL 67 Cb 1.41 0.74 -0.14 0.00 -2.13 0.00 0.00 31.29 31.17 1hma h VAL 67 CO 0.10 0.26 0.16 0.11 -1.23 0.00 0.00 177.57 176.98 1hma h LYS 68 N 0.68 0.18 -0.55 5.19 1.57 -1.59 1.22 116.57 123.26 1hma h LYS 68 Ca 0.17 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1hma h LYS 68 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1hma h LYS 68 CO -0.01 0.12 -0.01 0.93 -0.57 0.00 0.00 179.45 179.90 1hma h GLU 69 N 0.18 0.96 0.00 3.15 5.08 -1.46 0.46 114.58 122.95 1hma h GLU 69 Ca 0.50 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1hma h GLU 69 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1hma h GLU 69 CO -0.65 0.96 -0.24 0.35 -1.00 0.00 0.00 179.01 178.42 1hma h PHE 70 N 0.88 0.00 0.00 4.33 3.57 0.25 -2.42 116.94 123.54 1hma h PHE 70 Ca 0.16 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1hma h PHE 70 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1hma h PHE 70 CO 0.03 0.24 -1.35 0.39 -2.23 0.00 0.00 178.31 175.39 1hma n GLU 71 N -4.02 0.62 0.34 1.11 1.02 0.24 -3.05 120.64 116.90 1hma n GLU 71 Ca -0.02 0.12 0.22 0.00 -0.02 0.00 0.00 57.16 57.46 1hma n GLU 71 Cb 0.31 -1.77 1.16 0.00 -0.02 0.00 0.00 31.44 31.12 1hma n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 72 N 1.72 1.07 0.00 0.62 0.00 -0.40 -2.79 119.26 119.49 1hma h ALA 72 Ca -0.09 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1hma h ALA 72 Cb 1.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1hma h ALA 72 CO 0.02 -0.04 -1.74 -1.71 0.00 0.00 0.00 179.25 175.78 1hma n ASN 73 N -3.11 2.80 0.00 0.00 5.15 -1.23 -5.09 115.26 113.78 1hma n ASN 73 Ca -0.03 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1hma n ASN 73 Cb 0.11 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1hma n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27