#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hma n ASP 3 N 0.00 -7.24 -1.67 4.04 8.00 -1.26 -4.79 116.55 113.63 1hma n ASP 3 Ca 0.00 1.20 -0.03 0.00 0.71 0.00 0.00 54.79 56.67 1hma n ASP 3 Cb 0.00 -4.38 0.08 0.00 -0.02 0.00 0.00 41.12 36.80 1hma n ASP 3 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1hma n LYS 4 N -4.11 1.70 -1.78 -1.24 0.00 -1.26 -5.08 118.16 106.40 1hma n LYS 4 Ca -0.07 -3.23 -0.30 0.00 0.00 0.00 0.00 58.31 54.71 1hma n LYS 4 Cb 0.61 -1.36 0.07 0.00 0.00 0.00 0.00 35.03 34.35 1hma n LYS 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1hma s PRO 5 N -2.62 2.50 -1.32 1.64 0.04 -1.26 -4.94 135.00 129.04 1hma s PRO 5 Ca 0.38 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.75 1hma s PRO 5 Cb 0.37 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 33.04 1hma s PRO 5 CO -0.06 -1.29 1.84 1.17 0.04 0.00 0.00 177.00 178.70 1hma n LYS 6 N -3.18 3.25 -1.48 4.56 0.00 -1.26 -4.97 118.16 115.07 1hma n LYS 6 Ca 0.07 -3.28 -0.37 0.00 0.00 0.00 0.00 58.31 54.73 1hma n LYS 6 Cb 0.57 -3.20 0.05 0.00 0.00 0.00 0.00 35.03 32.46 1hma n LYS 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1hma n ARG 7 N 6.02 0.61 -2.47 1.64 1.74 -1.26 -4.71 116.66 118.23 1hma n ARG 7 Ca 0.45 0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 57.37 1hma n ARG 7 Cb 0.41 -1.95 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 1hma n ARG 7 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hma s PRO 8 N -2.59 4.61 0.62 5.56 0.04 -1.26 -5.06 135.00 136.93 1hma s PRO 8 Ca 0.72 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.61 1hma s PRO 8 Cb -0.41 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.02 1hma s PRO 8 CO 0.51 0.14 0.86 -0.48 0.04 0.00 0.00 177.00 178.07 1hma s LEU 9 N -1.05 3.08 0.45 -3.56 0.05 -1.26 -5.09 118.68 111.28 1hma s LEU 9 Ca 0.47 -0.67 -0.04 0.00 0.05 0.00 0.00 54.13 53.93 1hma s LEU 9 Cb -0.32 -1.78 -0.04 0.00 -2.05 0.00 0.00 46.19 42.01 1hma s LEU 9 CO 0.39 -1.51 0.73 -0.44 -0.55 0.00 0.00 176.35 174.97 1hma s SER 10 N -4.68 6.29 0.22 1.48 0.01 -1.26 -4.94 113.70 110.81 1hma s SER 10 Ca 0.63 0.84 -0.09 0.00 1.31 0.00 0.00 55.95 58.64 1hma s SER 10 Cb -0.06 -2.21 0.20 0.00 0.21 0.00 0.00 66.02 64.17 1hma s SER 10 CO 0.41 -0.50 1.88 0.00 0.41 0.00 0.00 173.24 175.43 1hma h ALA 11 N 0.41 1.02 -0.39 1.44 0.00 -1.93 0.35 119.26 120.16 1hma h ALA 11 Ca -0.47 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.51 1hma h ALA 11 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1hma h ALA 11 CO 0.62 0.36 0.33 -0.92 0.00 0.00 0.00 179.25 179.64 1hma h TYR 12 N 1.02 0.00 -0.13 0.00 3.20 -1.97 0.60 116.97 119.70 1hma h TYR 12 Ca 0.30 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.99 1hma h TYR 12 Cb -0.05 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.23 1hma h TYR 12 CO -0.02 0.00 -0.64 0.52 -1.64 0.00 0.00 178.16 176.38 1hma h MET 13 N 0.00 0.65 0.29 1.82 2.86 -1.31 -1.95 114.93 117.30 1hma h MET 13 Ca 0.19 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1hma h MET 13 Cb 0.84 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1hma h MET 13 CO -0.00 1.15 -0.44 -0.07 1.06 0.00 0.00 176.91 178.61 1hma h LEU 14 N 0.32 -1.25 -1.58 1.22 3.38 -0.58 -0.09 115.31 116.73 1hma h LEU 14 Ca -0.04 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1hma h LEU 14 Cb 1.28 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1hma h LEU 14 CO 0.13 -0.55 0.39 -0.25 0.09 0.00 0.00 178.44 178.25 1hma h TRP 15 N -0.79 0.52 -0.45 1.13 7.01 -1.55 -0.23 115.95 121.59 1hma h TRP 15 Ca -0.02 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1hma h TRP 15 Cb 0.75 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 1hma h TRP 15 CO -0.30 0.27 0.18 1.25 -2.79 0.00 0.00 178.44 177.05 1hma h LEU 16 N 0.51 0.57 -0.01 0.65 7.12 -0.26 -0.77 115.31 123.12 1hma h LEU 16 Ca 0.26 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1hma h LEU 16 Cb 0.37 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1hma h LEU 16 CO -0.07 0.52 0.00 0.59 -0.13 0.00 0.00 178.44 179.34 1hma n ASN 17 N -4.37 0.03 -0.00 1.25 3.02 -0.11 -1.53 115.26 113.54 1hma n ASN 17 Ca 0.03 0.50 0.09 0.00 -0.03 0.00 0.00 54.58 55.18 1hma n ASN 17 Cb 0.15 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.68 1hma n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hma n SER 18 N -1.53 0.79 -0.21 6.41 3.41 -0.38 -4.29 113.62 117.81 1hma n SER 18 Ca 0.06 -0.72 0.03 0.00 -0.26 0.00 0.00 58.87 57.98 1hma n SER 18 Cb 0.30 1.23 0.02 0.00 -0.26 0.00 0.00 64.21 65.50 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 -1.64 2.54 0.31 7.33 0.00 -0.68 -4.54 120.51 123.83 1hma n ALA 19 Ca 0.02 -0.48 0.20 0.00 0.00 0.00 0.00 53.44 53.18 1hma n ALA 19 Cb 0.36 -0.22 0.96 0.00 0.00 0.00 0.00 19.45 20.55 1hma n ALA 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1hma h ARG 20 N 1.04 0.00 0.00 0.00 0.11 -1.46 0.19 114.38 114.26 1hma h ARG 20 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hma h ARG 20 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1hma h ARG 20 CO 0.00 0.00 -0.01 1.49 0.10 0.00 0.00 179.97 181.55 1hma h GLU 21 N 0.00 0.00 0.00 0.08 4.81 -1.86 -1.75 114.58 115.86 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 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1hma h GLU 21 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.73 1hma n SER 22 N -3.49 0.52 -0.07 1.04 2.88 -1.19 -1.41 113.62 111.89 1hma n SER 22 Ca -0.00 0.72 -0.13 0.00 -1.33 0.00 0.00 58.87 58.13 1hma n SER 22 Cb 0.00 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.57 1hma n SER 22 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1hma h ILE 23 N 0.00 1.29 0.00 2.46 2.04 -0.67 -1.96 117.51 120.68 1hma h ILE 23 Ca 0.00 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 63.77 1hma h ILE 23 Cb 0.07 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1hma h ILE 23 CO 0.00 0.44 -0.13 0.11 0.00 0.00 0.00 178.15 178.57 1hma h LYS 24 N -1.00 0.00 0.00 2.37 1.57 -0.76 -1.78 116.57 116.97 1hma h LYS 24 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hma h LYS 24 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1hma h LYS 24 CO -0.04 0.13 -0.02 0.00 -0.57 0.00 0.00 179.45 178.95 1hma h ARG 25 N 0.00 0.00 -1.16 3.15 3.08 -1.33 -3.33 114.38 114.79 1hma h ARG 25 Ca -0.00 0.00 0.34 0.00 0.07 0.00 0.00 59.98 60.39 1hma h ARG 25 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1hma h ARG 25 CO 0.02 0.00 0.98 0.93 -1.07 0.00 0.00 179.97 180.83 1hma h GLU 26 N -0.16 0.00 -6.39 0.04 5.08 -1.42 -3.39 114.58 108.35 1hma h GLU 26 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1hma h GLU 26 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1hma h GLU 26 CO 0.00 0.00 -0.09 -0.80 -1.00 0.00 0.00 179.01 177.12 1hma s ASN 27 N -4.53 6.73 -1.27 1.42 0.01 -0.67 -4.97 114.94 111.65 1hma s ASN 27 Ca -0.04 1.01 -0.16 0.00 -0.71 0.00 0.00 52.86 52.95 1hma s ASN 27 Cb 0.20 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.59 1hma s ASN 27 CO 0.70 0.01 2.13 -0.81 -1.51 0.00 0.00 177.10 177.61 1hma n PRO 28 N 0.31 2.50 -2.16 -0.60 -0.04 -1.26 -4.34 135.00 129.41 1hma n PRO 28 Ca -0.02 -2.43 -0.07 0.00 -0.04 0.00 0.00 63.50 60.93 1hma n PRO 28 Cb 0.52 -3.21 -0.01 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.28 -0.21 2.83 0.55 0.00 -1.26 -4.76 105.19 106.61 1hma n GLY 29 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.64 0.00 -0.71 -0.61 3.06 -1.26 -4.83 119.36 112.37 1hma n ILE 30 Ca -0.08 -0.45 -0.32 0.00 -2.50 0.00 0.00 62.75 59.40 1hma n ILE 30 Cb 0.48 0.00 0.16 0.00 0.54 0.00 0.00 39.64 40.82 1hma n ILE 30 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1hma n LYS 31 N 1.69 -1.09 0.07 9.51 4.01 -1.26 -4.83 118.16 126.26 1hma n LYS 31 Ca 0.04 -0.29 -0.09 0.00 -0.51 0.00 0.00 58.31 57.46 1hma n LYS 31 Cb 0.45 -1.80 -0.11 0.00 -0.51 0.00 0.00 35.03 33.05 1hma n LYS 31 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1hma h VAL 32 N -1.89 1.66 0.00 -0.18 3.04 -2.01 -2.93 116.25 113.94 1hma h VAL 32 Ca -0.50 -3.29 -0.08 0.00 -1.01 0.00 0.00 66.70 61.82 1hma h VAL 32 Cb 1.32 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 33.44 1hma h VAL 32 CO 0.37 0.94 -0.39 0.71 -1.01 0.00 0.00 177.57 178.19 1hma h THR 33 N 0.02 0.77 -0.39 3.17 1.35 -2.01 -2.92 112.91 112.89 1hma h THR 33 Ca -0.04 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1hma h THR 33 Cb 1.79 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 1hma h THR 33 CO 0.15 0.39 0.00 -0.62 -0.25 0.00 0.00 175.52 175.18 1hma n GLU 34 N -3.33 2.19 0.09 4.72 1.02 -1.21 -4.10 120.64 120.02 1hma n GLU 34 Ca 0.01 -1.83 -0.17 0.00 -0.02 0.00 0.00 57.16 55.15 1hma n GLU 34 Cb 0.60 -1.44 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 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 3.33 1.34 0.00 2.62 2.07 -1.32 -3.22 116.25 121.07 1hma h VAL 35 Ca 0.00 -2.92 -0.11 0.00 0.82 0.00 0.00 66.70 64.48 1hma h VAL 35 Cb 0.74 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1hma h VAL 35 CO 0.00 0.85 -0.53 0.00 0.02 0.00 0.00 177.57 177.92 1hma h ALA 36 N 0.51 0.71 -0.01 1.67 0.00 -1.72 -3.03 119.26 117.39 1hma h ALA 36 Ca -0.19 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1hma h ALA 36 Cb 2.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1hma h ALA 36 CO 0.19 0.66 0.00 -0.22 0.00 0.00 0.00 179.25 179.88 1hma h LYS 37 N 0.00 0.01 -0.57 0.00 3.64 -1.74 -1.69 116.57 116.22 1hma h LYS 37 Ca -0.01 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1hma h LYS 37 Cb 1.31 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1hma h LYS 37 CO 0.07 0.29 0.18 -0.09 -2.27 0.00 0.00 179.45 177.62 1hma h ARG 38 N -0.26 0.86 -0.26 1.90 9.65 -1.62 -2.11 114.38 122.54 1hma h ARG 38 Ca 0.00 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 1hma h ARG 38 Cb 0.28 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1hma h ARG 38 CO 0.00 0.74 -0.07 0.78 2.80 0.00 0.00 179.97 184.23 1hma h GLY 39 N 0.98 0.45 2.00 2.80 0.00 -1.39 -2.01 103.07 105.90 1hma h GLY 39 Ca 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1hma h GLY 39 CO -0.01 0.26 -0.19 -1.33 0.00 0.00 0.00 176.54 175.26 1hma h GLY 40 N 0.82 0.00 2.00 4.60 0.00 -0.60 -1.36 103.07 108.52 1hma h GLY 40 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1hma h GLY 40 CO 0.02 0.00 -0.04 1.05 0.00 0.00 0.00 176.54 177.57 1hma h GLU 41 N 0.00 0.00 0.03 4.80 -0.00 -1.28 -2.20 114.58 115.93 1hma h GLU 41 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 59.00 1hma h GLU 41 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.05 1hma h GLU 41 CO 0.03 0.04 -2.20 1.28 -0.00 0.00 0.00 179.01 178.16 1hma n LEU 42 N -3.73 1.80 0.05 3.06 4.77 -0.60 -4.06 117.00 118.29 1hma n LEU 42 Ca -0.03 0.08 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1hma n LEU 42 Cb 0.13 -0.43 0.29 0.00 -2.33 0.00 0.00 43.42 41.09 1hma n LEU 42 CO 0.28 0.71 0.70 1.87 -1.33 0.00 0.00 177.39 179.62 1hma n TRP 43 N -3.15 0.25 0.25 -1.77 -0.00 -0.71 -3.27 117.44 109.04 1hma n TRP 43 Ca -0.34 0.11 -0.10 0.00 -0.00 0.00 0.00 57.50 57.17 1hma n TRP 43 Cb 1.06 -0.68 -0.05 0.00 -0.00 0.00 0.00 31.31 31.64 1hma n TRP 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1hma h ARG 44 N 0.00 -0.62 -0.56 5.87 3.08 -1.55 -2.87 114.38 117.73 1hma h ARG 44 Ca 0.00 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.25 1hma h ARG 44 Cb 0.17 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1hma h ARG 44 CO 0.00 -0.41 0.40 0.00 -1.07 0.00 0.00 179.97 178.89 1hma h ALA 45 N -1.58 2.52 -0.92 0.04 0.00 -1.80 -2.69 119.26 114.84 1hma h ALA 45 Ca -0.07 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.12 1hma h ALA 45 Cb 0.49 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1hma h ALA 45 CO 0.11 -0.68 0.62 -0.12 0.00 0.00 0.00 179.25 179.17 1hma n MET 46 N -4.37 -0.01 0.00 0.00 0.00 -1.08 -4.34 117.12 107.32 1hma n MET 46 Ca 0.10 0.70 0.00 0.00 0.00 0.00 0.00 57.70 58.50 1hma n MET 46 Cb 0.63 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.41 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 -2.52 2.12 4.81 -1.02 -2.93 118.16 115.03 1hma n LYS 47 Ca 0.24 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.28 1hma n LYS 47 Cb 1.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.03 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 -0.53 6.52 -0.10 3.14 1.11 -1.26 -4.72 116.67 120.83 1hma s ASP 48 Ca 0.00 -1.96 0.08 0.00 0.18 0.00 0.00 52.55 50.85 1hma s ASP 48 Cb 0.00 -2.58 0.41 0.00 1.07 0.00 0.00 42.92 41.82 1hma s ASP 48 CO 0.00 -1.49 1.16 0.29 1.18 0.00 0.00 175.17 176.32 1hma n LYS 49 N 8.59 2.81 -0.07 8.23 4.01 -1.15 -4.42 118.16 136.16 1hma n LYS 49 Ca 0.43 -1.57 0.24 0.00 -0.51 0.00 0.00 58.31 56.89 1hma n LYS 49 Cb 0.48 -1.79 0.52 0.00 -0.51 0.00 0.00 35.03 33.72 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 2.08 0.00 0.27 4.39 4.64 -1.89 -0.48 113.55 122.56 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 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1hma h SER 50 CO 0.21 0.00 -0.13 -0.08 -0.87 0.00 0.00 176.83 175.96 1hma h GLU 51 N 0.00 -0.35 0.17 4.77 4.81 -1.99 -2.60 114.58 119.39 1hma h GLU 51 Ca 0.35 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1hma h GLU 51 Cb 2.25 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.71 1hma h GLU 51 CO -0.00 -0.23 -0.08 -1.49 -0.73 0.00 0.00 179.01 176.47 1hma h TRP 52 N -0.37 -0.21 -0.80 0.92 4.06 -1.52 -2.78 115.95 115.25 1hma h TRP 52 Ca -0.04 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.99 1hma h TRP 52 Cb 0.28 0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 28.40 1hma h TRP 52 CO 0.16 0.05 -0.43 0.39 -3.56 0.00 0.00 178.44 175.05 1hma n GLU 53 N -5.09 -0.31 -0.32 0.49 -0.58 -0.33 0.21 120.64 114.72 1hma n GLU 53 Ca -0.09 1.21 -0.02 0.00 -0.42 0.00 0.00 57.16 57.85 1hma n GLU 53 Cb 0.19 -1.79 0.11 0.00 -0.57 0.00 0.00 31.44 29.38 1hma n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hma h ALA 54 N 0.60 1.14 -0.96 0.62 0.00 -1.44 -1.88 119.26 117.33 1hma h ALA 54 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1hma h ALA 54 Cb 0.37 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1hma h ALA 54 CO -0.76 0.43 0.59 -0.22 0.00 0.00 0.00 179.25 179.29 1hma h LYS 55 N 1.12 0.92 -0.05 0.00 1.63 0.28 0.83 116.57 121.30 1hma h LYS 55 Ca 0.34 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1hma h LYS 55 Cb -0.03 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1hma h LYS 55 CO -0.11 0.61 -0.04 0.00 -3.45 0.00 0.00 179.45 176.46 1hma h ALA 56 N 1.52 1.83 -0.70 5.00 0.00 -0.05 -2.43 119.26 124.43 1hma h ALA 56 Ca 0.48 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.47 1hma h ALA 56 Cb 0.47 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1hma h ALA 56 CO -0.27 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.09 1hma h ALA 57 N 1.89 0.68 -0.20 0.00 0.00 -0.75 -1.35 119.26 119.53 1hma h ALA 57 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1hma h ALA 57 Cb 0.13 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1hma h ALA 57 CO 0.01 -0.41 -0.34 0.87 0.00 0.00 0.00 179.25 179.37 1hma h LYS 58 N 0.09 -0.27 -1.10 0.00 1.79 -1.53 0.65 116.57 116.20 1hma h LYS 58 Ca 0.37 0.02 0.32 0.00 -2.18 0.00 0.00 60.65 59.18 1hma h LYS 58 Cb 0.63 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 31.22 1hma h LYS 58 CO -0.63 -0.18 0.69 0.00 -1.08 0.00 0.00 179.45 178.25 1hma h ALA 59 N -0.59 2.26 0.24 3.86 0.00 -1.42 0.38 119.26 123.99 1hma h ALA 59 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hma h ALA 59 Cb 0.39 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1hma h ALA 59 CO -0.34 -0.78 -0.48 -0.22 0.00 0.00 0.00 179.25 177.43 1hma h LYS 60 N 0.31 -0.75 -0.08 0.00 3.64 0.10 1.57 116.57 121.38 1hma h LYS 60 Ca 0.69 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 1hma h LYS 60 Cb 1.80 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1hma h LYS 60 CO -0.42 -0.50 0.05 -0.44 -2.27 0.00 0.00 179.45 175.88 1hma h ASP 61 N -0.77 0.09 0.31 4.20 5.19 -0.19 0.14 116.42 125.39 1hma h ASP 61 Ca -0.02 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1hma h ASP 61 Cb 0.73 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1hma h ASP 61 CO -0.19 0.08 0.00 0.47 -3.12 0.00 0.00 179.24 176.48 1hma n ASP 62 N -5.03 0.00 -0.08 6.45 9.92 -0.61 -1.72 116.55 125.48 1hma n ASP 62 Ca -0.06 0.06 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1hma n ASP 62 Cb 0.04 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 1hma n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hma n TYR 63 N -1.29 0.83 -0.01 1.24 9.36 0.54 -1.94 117.16 125.89 1hma n TYR 63 Ca 0.08 0.36 -0.03 0.00 3.32 0.00 0.00 57.90 61.63 1hma n TYR 63 Cb 0.13 -0.82 0.21 0.00 -0.63 0.00 0.00 39.34 38.23 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 -1.00 0.53 -0.01 2.98 1.82 -1.15 -1.30 116.42 118.30 1hma h ASP 64 Ca -0.09 -0.15 -0.25 0.00 -0.39 0.00 0.00 57.03 56.14 1hma h ASP 64 Cb 0.75 -0.14 0.02 0.00 0.68 0.00 0.00 39.33 40.64 1hma h ASP 64 CO -0.06 0.71 -0.98 0.03 -1.61 0.00 0.00 179.24 177.34 1hma h ARG 65 N 0.49 0.68 -0.13 0.28 3.08 -1.52 -3.12 114.38 114.14 1hma h ARG 65 Ca 0.08 -0.72 -0.06 0.00 0.07 0.00 0.00 59.98 59.36 1hma h ARG 65 Cb 0.56 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1hma h ARG 65 CO 0.04 1.30 -0.14 0.00 -1.07 0.00 0.00 179.97 180.10 1hma h ALA 66 N 0.40 0.19 -0.47 0.04 0.00 -1.21 -3.14 119.26 115.07 1hma h ALA 66 Ca -0.12 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.54 1hma h ALA 66 Cb 1.64 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1hma h ALA 66 CO 0.19 0.07 0.10 -0.39 0.00 0.00 0.00 179.25 179.22 1hma h VAL 67 N -0.07 0.75 -1.09 0.00 -1.51 -1.35 0.17 116.25 113.15 1hma h VAL 67 Ca 0.02 -0.08 0.37 0.00 -1.23 0.00 0.00 66.70 65.78 1hma h VAL 67 Cb 0.67 0.50 -0.14 0.00 -2.13 0.00 0.00 31.29 30.19 1hma h VAL 67 CO 0.03 0.04 0.65 0.11 -1.23 0.00 0.00 177.57 177.18 1hma h LYS 68 N 0.23 0.20 0.04 5.19 1.79 -1.49 1.07 116.57 123.60 1hma h LYS 68 Ca 0.23 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1hma h LYS 68 Cb 0.30 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1hma h LYS 68 CO -0.30 0.13 -0.02 1.49 -1.08 0.00 0.00 179.45 179.67 1hma h GLU 69 N 0.20 -0.05 -0.49 3.15 4.57 -0.73 0.13 114.58 121.36 1hma h GLU 69 Ca 0.77 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 59.10 1hma h GLU 69 Cb 2.02 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.60 1hma h GLU 69 CO -0.56 0.47 0.44 0.35 -1.18 0.00 0.00 179.01 178.52 1hma h PHE 70 N -0.60 0.00 0.00 0.92 3.57 0.20 0.19 116.94 121.22 1hma h PHE 70 Ca -0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1hma h PHE 70 Cb 0.54 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1hma h PHE 70 CO 0.11 0.00 -1.73 0.39 -2.23 0.00 0.00 178.31 174.84 1hma n GLU 71 N -3.98 0.65 0.28 1.11 1.02 0.26 -3.95 120.64 116.03 1hma n GLU 71 Ca 0.09 -0.02 0.16 0.00 -0.02 0.00 0.00 57.16 57.37 1hma n GLU 71 Cb 0.64 -1.64 0.84 0.00 -0.02 0.00 0.00 31.44 31.26 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 1.74 1.20 0.06 0.62 0.00 0.22 -2.07 119.26 121.04 1hma h ALA 72 Ca -0.12 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1hma h ALA 72 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1hma h ALA 72 CO 0.01 0.08 -1.27 -0.97 0.00 0.00 0.00 179.25 177.11 1hma h ASN 73 N 0.00 0.21 0.00 0.00 -0.73 -1.62 -3.51 115.58 109.94 1hma h ASN 73 Ca -0.00 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 57.91 1hma h ASN 73 Cb 0.27 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1hma h ASN 73 CO 0.01 1.21 0.00 0.61 -0.37 0.00 0.00 177.43 178.89