#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 0.00 -3.31 -3.46 5.68 -1.26 -5.17 116.55 109.04 1hma n ASP 3 Ca 0.00 -0.48 -0.21 0.00 -0.50 0.00 0.00 54.79 53.61 1hma n ASP 3 Cb 0.00 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1hma n ASP 3 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hma n LYS 4 N 0.00 -1.19 -1.69 0.11 4.01 -1.26 -5.03 118.16 113.11 1hma n LYS 4 Ca 0.00 -1.39 -0.31 0.00 -0.51 0.00 0.00 58.31 56.10 1hma n LYS 4 Cb 0.00 -0.99 0.04 0.00 -0.51 0.00 0.00 35.03 33.57 1hma n LYS 4 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1hma s PRO 5 N -4.97 3.15 -0.28 1.97 0.04 -1.26 -5.08 135.00 128.57 1hma s PRO 5 Ca 0.52 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1hma s PRO 5 Cb -0.02 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.65 1hma s PRO 5 CO 0.37 -0.93 0.57 0.21 0.04 0.00 0.00 177.00 177.26 1hma s LYS 6 N -5.02 0.52 0.00 4.56 2.20 -1.26 -5.04 119.74 115.70 1hma s LYS 6 Ca 0.57 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1hma s LYS 6 Cb -0.13 0.54 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1hma s LYS 6 CO 0.53 -0.41 0.00 2.89 -0.36 0.00 0.00 175.35 178.00 1hma n ARG 7 N 5.43 0.00 -2.59 4.03 1.85 -1.26 -4.80 116.66 119.32 1hma n ARG 7 Ca -0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.42 1hma n ARG 7 Cb 0.50 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.86 1hma n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1hma s PRO 8 N 0.00 4.25 1.04 2.89 0.04 -1.26 -5.01 135.00 136.95 1hma s PRO 8 Ca 0.00 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 1hma s PRO 8 Cb 0.00 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1hma s PRO 8 CO 0.00 -0.06 -0.48 1.28 0.04 0.00 0.00 177.00 177.78 1hma n LEU 9 N 0.05 -2.68 -4.94 -3.56 4.77 -1.26 -4.97 117.00 104.40 1hma n LEU 9 Ca 0.04 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1hma n LEU 9 Cb 0.50 -0.85 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1hma n LEU 9 CO 0.45 -3.47 0.61 -0.44 -1.33 0.00 0.00 177.39 173.20 1hma s SER 10 N -1.52 4.63 0.12 -1.43 0.01 -1.26 -4.84 113.70 109.41 1hma s SER 10 Ca 0.48 0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.77 1hma s SER 10 Cb -0.08 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 1hma s SER 10 CO 0.69 -1.70 1.63 0.00 0.41 0.00 0.00 173.24 174.27 1hma h ALA 11 N -0.63 -0.38 -1.05 1.44 0.00 -1.88 -0.60 119.26 116.16 1hma h ALA 11 Ca -0.43 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.75 1hma h ALA 11 Cb 1.30 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.47 1hma h ALA 11 CO 0.55 -0.78 0.66 -0.92 0.00 0.00 0.00 179.25 178.76 1hma h TYR 12 N -0.41 0.73 0.02 0.00 3.20 -1.94 -0.49 116.97 118.08 1hma h TYR 12 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1hma h TYR 12 Cb 0.50 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1hma h TYR 12 CO -0.31 0.04 -0.01 0.52 -1.64 0.00 0.00 178.16 176.76 1hma h MET 13 N 0.41 -0.03 -0.95 1.82 2.86 -1.51 -2.49 114.93 115.04 1hma h MET 13 Ca 0.62 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 58.56 1hma h MET 13 Cb 1.52 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 33.03 1hma h MET 13 CO -0.35 0.45 0.37 -0.07 1.06 0.00 0.00 176.91 178.37 1hma h LEU 14 N -0.52 0.17 -0.38 1.22 3.38 -0.15 0.90 115.31 119.93 1hma h LEU 14 Ca -0.00 0.21 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1hma h LEU 14 Cb 0.49 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1hma h LEU 14 CO 0.01 -0.20 -0.26 -0.25 0.09 0.00 0.00 178.44 177.83 1hma h TRP 15 N 0.20 0.98 -0.19 1.13 7.01 -1.41 -2.72 115.95 120.96 1hma h TRP 15 Ca 0.66 -0.27 0.06 0.00 2.11 0.00 0.00 58.89 61.45 1hma h TRP 15 Cb 1.46 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 1hma h TRP 15 CO -0.17 1.05 0.15 -0.07 -2.79 0.00 0.00 178.44 176.60 1hma h LEU 16 N 0.64 0.00 0.10 0.65 3.38 0.12 0.15 115.31 120.35 1hma h LEU 16 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1hma h LEU 16 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1hma h LEU 16 CO 0.07 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.33 1hma h ASN 17 N 0.00 -0.11 0.60 -0.43 4.21 -0.83 0.10 115.58 119.12 1hma h ASN 17 Ca 0.09 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1hma h ASN 17 Cb 0.38 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1hma h ASN 17 CO -0.00 0.50 0.00 -1.54 -1.29 0.00 0.00 177.43 175.10 1hma n SER 18 N -4.85 0.19 -0.14 5.81 3.41 -0.99 -2.18 113.62 114.86 1hma n SER 18 Ca -0.08 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 1hma n SER 18 Cb 0.29 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.58 3.69 0.30 7.33 0.00 0.48 -4.37 120.51 126.35 1hma n ALA 19 Ca 0.03 -0.48 0.17 0.00 0.00 0.00 0.00 53.44 53.17 1hma n ALA 19 Cb 0.20 -0.56 0.93 0.00 0.00 0.00 0.00 19.45 20.01 1hma n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hma h ARG 20 N 0.71 0.00 0.06 0.00 3.08 -0.28 0.37 114.38 118.32 1hma h ARG 20 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hma h ARG 20 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1hma h ARG 20 CO 0.00 0.04 -0.03 1.49 -1.07 0.00 0.00 179.97 180.40 1hma h GLU 21 N 0.00 -0.08 0.00 0.04 4.81 -1.76 -2.18 114.58 115.41 1hma h GLU 21 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1hma h GLU 21 Cb 0.16 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1hma h GLU 21 CO 0.01 -0.06 0.00 0.45 -0.73 0.00 0.00 179.01 178.68 1hma n SER 22 N -4.29 0.13 -0.05 1.04 2.88 -1.17 -2.06 113.62 110.10 1hma n SER 22 Ca -0.01 0.54 -0.18 0.00 -1.33 0.00 0.00 58.87 57.89 1hma n SER 22 Cb 0.03 -0.56 -0.13 0.00 -0.75 0.00 0.00 64.21 62.80 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 1.40 0.00 2.46 2.04 -0.28 -3.10 117.51 120.03 1hma h ILE 23 Ca 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1hma h ILE 23 Cb 0.15 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1hma h ILE 23 CO 0.00 0.57 0.00 0.29 0.00 0.00 0.00 178.15 179.01 1hma n LYS 24 N -4.37 0.21 -0.03 2.37 5.02 -0.82 -2.87 118.16 117.68 1hma n LYS 24 Ca -0.19 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 1hma n LYS 24 Cb 0.66 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.03 1hma n LYS 24 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1hma n ARG 25 N -1.37 0.73 -1.18 1.97 1.85 -0.87 -4.22 116.66 113.55 1hma n ARG 25 Ca 0.10 0.26 -0.22 0.00 -1.00 0.00 0.00 57.85 56.99 1hma n ARG 25 Cb 0.24 -1.67 0.19 0.00 -1.05 0.00 0.00 32.46 30.16 1hma n ARG 25 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1hma n GLU 26 N -3.51 2.26 -4.38 2.89 1.02 -1.17 -4.94 120.64 112.81 1hma n GLU 26 Ca -0.35 -3.03 -0.28 0.00 -0.02 0.00 0.00 57.16 53.47 1hma n GLU 26 Cb 1.01 -2.15 -0.12 0.00 -0.02 0.00 0.00 31.44 30.16 1hma n GLU 26 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1hma s ASN 27 N -1.41 3.48 -1.21 1.62 0.01 -1.14 -5.03 114.94 111.26 1hma s ASN 27 Ca 0.56 -0.74 -0.18 0.00 -0.71 0.00 0.00 52.86 51.79 1hma s ASN 27 Cb 0.47 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.81 1hma s ASN 27 CO 0.10 0.16 2.06 -0.81 -1.51 0.00 0.00 177.10 177.10 1hma n PRO 28 N 0.68 2.41 -2.36 -0.60 -0.04 -1.26 -4.34 135.00 129.49 1hma n PRO 28 Ca -0.16 -2.45 -0.05 0.00 -0.04 0.00 0.00 63.50 60.80 1hma n PRO 28 Cb 0.54 -3.23 -0.00 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 4.51 -0.41 2.97 0.55 0.00 -1.26 -4.74 105.19 106.80 1hma n GLY 29 Ca 0.50 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.74 0.43 -1.99 -0.61 3.06 -1.26 -4.83 119.36 111.42 1hma n ILE 30 Ca -0.06 -0.45 -0.35 0.00 -2.50 0.00 0.00 62.75 59.38 1hma n ILE 30 Cb 0.51 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.73 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 -0.90 2.97 0.48 9.51 3.01 -1.26 -4.81 119.74 128.73 1hma s LYS 31 Ca 0.53 1.72 0.22 0.00 -1.01 0.00 0.00 55.97 57.43 1hma s LYS 31 Cb -0.55 -1.94 1.22 0.00 -1.01 0.00 0.00 37.83 35.55 1hma s LYS 31 CO 0.57 -1.18 2.00 -0.24 0.51 0.00 0.00 175.35 177.02 1hma h VAL 32 N 0.75 0.78 0.00 3.17 3.04 -2.00 0.20 116.25 122.19 1hma h VAL 32 Ca -0.50 -0.70 -0.27 0.00 -1.01 0.00 0.00 66.70 64.22 1hma h VAL 32 Cb 1.28 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 31.94 1hma h VAL 32 CO 0.55 0.17 -1.77 0.35 -1.01 0.00 0.00 177.57 175.86 1hma n THR 33 N -3.83 1.44 0.96 3.17 -2.24 -1.26 -3.86 114.28 108.67 1hma n THR 33 Ca -0.02 -0.78 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1hma n THR 33 Cb 0.28 -0.85 0.47 0.00 -2.10 0.00 0.00 70.33 68.12 1hma n THR 33 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hma n GLU 34 N -2.94 0.03 -0.07 -0.78 0.28 -0.95 -3.60 120.64 112.61 1hma n GLU 34 Ca -0.18 0.02 0.01 0.00 -0.16 0.00 0.00 57.16 56.84 1hma n GLU 34 Cb 1.01 -1.53 0.30 0.00 1.43 0.00 0.00 31.44 32.66 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1hma h VAL 35 N 0.00 1.18 0.00 3.84 2.07 -0.72 -1.27 116.25 121.35 1hma h VAL 35 Ca 0.00 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 1hma h VAL 35 Cb 0.53 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1hma h VAL 35 CO 0.00 0.21 -0.48 0.00 0.02 0.00 0.00 177.57 177.33 1hma h ALA 36 N 1.54 1.19 0.45 1.67 0.00 -1.78 0.19 119.26 122.51 1hma h ALA 36 Ca 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1hma h ALA 36 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hma h ALA 36 CO -0.02 0.59 -0.22 -0.22 0.00 0.00 0.00 179.25 179.39 1hma h LYS 37 N 0.00 -0.58 0.00 0.00 3.64 -1.44 -2.76 116.57 115.43 1hma h LYS 37 Ca -0.00 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1hma h LYS 37 Cb 0.86 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1hma h LYS 37 CO 0.06 -0.39 -0.01 -0.09 -2.27 0.00 0.00 179.45 176.76 1hma h ARG 38 N -1.11 0.00 -0.24 1.90 9.65 -1.43 -2.36 114.38 120.78 1hma h ARG 38 Ca -0.06 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.65 1hma h ARG 38 Cb 0.46 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1hma h ARG 38 CO 0.10 0.01 -0.52 0.78 2.80 0.00 0.00 179.97 183.14 1hma h GLY 39 N 0.95 0.77 2.00 2.80 0.00 -0.91 -2.90 103.07 105.78 1hma h GLY 39 Ca -0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1hma h GLY 39 CO 0.00 0.79 -0.02 -1.33 0.00 0.00 0.00 176.54 175.98 1hma h GLY 40 N 0.91 0.00 0.97 4.60 0.00 -1.12 -1.63 103.07 106.80 1hma h GLY 40 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.46 1hma h GLY 40 CO 0.11 0.00 0.42 1.05 0.00 0.00 0.00 176.54 178.11 1hma h GLU 41 N 0.00 0.35 0.01 4.80 4.11 -1.59 -1.47 114.58 120.78 1hma h GLU 41 Ca -0.00 -0.02 -0.29 0.00 0.07 0.00 0.00 59.36 59.11 1hma h GLU 41 Cb 0.04 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1hma h GLU 41 CO 0.00 0.23 -1.71 1.28 0.07 0.00 0.00 179.01 178.88 1hma n LEU 42 N -4.46 0.99 -0.37 3.06 4.77 -0.64 -3.53 117.00 116.83 1hma n LEU 42 Ca 0.11 0.41 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 1hma n LEU 42 Cb 0.43 0.09 0.19 0.00 -2.33 0.00 0.00 43.42 41.80 1hma n LEU 42 CO 0.34 0.41 1.25 -0.25 -1.33 0.00 0.00 177.39 177.82 1hma h TRP 43 N 0.00 1.18 0.00 -1.77 2.91 -0.99 1.99 115.95 119.28 1hma h TRP 43 Ca -0.29 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1hma h TRP 43 Cb 2.01 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 30.28 1hma h TRP 43 CO 0.00 0.57 -0.22 -2.13 -1.03 0.00 0.00 178.44 175.63 1hma n ARG 44 N -4.54 0.23 -0.05 2.65 0.63 -0.96 -3.68 116.66 110.94 1hma n ARG 44 Ca 0.17 0.14 0.05 0.00 -0.92 0.00 0.00 57.85 57.28 1hma n ARG 44 Cb 0.24 -1.72 0.07 0.00 0.45 0.00 0.00 32.46 31.49 1hma n ARG 44 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hma n ALA 45 N -1.75 2.08 -1.00 5.13 0.00 -0.06 -4.94 120.51 119.97 1hma n ALA 45 Ca 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1hma n ALA 45 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1hma n ALA 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1hma n MET 46 N -0.90 0.00 0.00 0.00 0.00 0.66 -4.97 117.12 111.91 1hma n MET 46 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.78 1hma n MET 46 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.68 1hma n MET 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1hma n LYS 47 N 0.00 0.00 -3.90 2.12 5.02 -1.26 -5.09 118.16 115.05 1hma n LYS 47 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1hma n LYS 47 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hma s ASP 48 N 1.00 0.06 0.27 4.39 1.11 -1.26 -5.03 116.67 117.21 1hma s ASP 48 Ca 0.00 -0.13 0.21 0.00 0.18 0.00 0.00 52.55 52.81 1hma s ASP 48 Cb 0.00 0.06 0.10 0.00 1.07 0.00 0.00 42.92 44.15 1hma s ASP 48 CO 0.00 -0.11 1.26 0.11 1.18 0.00 0.00 175.17 177.61 1hma h LYS 49 N 5.62 0.00 -0.05 8.23 6.56 -2.00 -3.28 116.57 131.65 1hma h LYS 49 Ca -0.27 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.34 1hma h LYS 49 Cb 1.21 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1hma h LYS 49 CO 0.47 0.12 0.27 0.77 -2.06 0.00 0.00 179.45 179.01 1hma h SER 50 N 0.00 0.00 0.00 0.86 0.02 -1.97 0.11 113.55 112.57 1hma h SER 50 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1hma h SER 50 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1hma h SER 50 CO 0.02 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 1hma n GLU 51 N -3.08 0.00 0.29 3.45 1.02 -1.24 -2.43 120.64 118.65 1hma n GLU 51 Ca -0.01 0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 57.41 1hma n GLU 51 Cb 0.34 -1.27 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 1hma n GLU 51 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1hma h TRP 52 N 0.00 -0.69 -0.32 -0.32 4.06 -1.75 -2.78 115.95 114.16 1hma h TRP 52 Ca 0.00 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.96 1hma h TRP 52 Cb 0.00 0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 1hma h TRP 52 CO 0.13 -0.36 -0.19 0.39 -3.56 0.00 0.00 178.44 174.85 1hma n GLU 53 N -5.33 -0.14 -0.32 0.49 1.02 0.36 0.17 120.64 116.89 1hma n GLU 53 Ca -0.12 0.82 0.05 0.00 -0.02 0.00 0.00 57.16 57.88 1hma n GLU 53 Cb 0.33 -1.21 0.19 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.17 1.30 -0.54 0.62 0.00 -1.52 -0.21 119.26 118.75 1hma h ALA 54 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hma h ALA 54 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1hma h ALA 54 CO -0.30 0.15 0.36 -0.22 0.00 0.00 0.00 179.25 179.23 1hma h LYS 55 N 0.87 0.69 -0.08 0.00 1.63 0.21 -2.62 116.57 117.27 1hma h LYS 55 Ca 0.44 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.13 1hma h LYS 55 Cb 0.41 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1hma h LYS 55 CO -0.26 0.46 -0.21 0.00 -3.45 0.00 0.00 179.45 175.99 1hma h ALA 56 N 1.67 0.13 -0.49 5.00 0.00 0.12 -2.99 119.26 122.70 1hma h ALA 56 Ca 0.20 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hma h ALA 56 Cb -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1hma h ALA 56 CO -0.04 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.34 1hma h ALA 57 N 0.47 0.50 -0.38 0.00 0.00 -1.08 -0.32 119.26 118.46 1hma h ALA 57 Ca -0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1hma h ALA 57 Cb 0.82 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1hma h ALA 57 CO 0.05 -0.36 0.16 -0.22 0.00 0.00 0.00 179.25 178.87 1hma h LYS 58 N 0.16 0.32 0.00 0.00 1.63 -1.51 0.79 116.57 117.95 1hma h LYS 58 Ca 0.25 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1hma h LYS 58 Cb 0.36 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1hma h LYS 58 CO -0.38 0.21 -0.05 0.00 -3.45 0.00 0.00 179.45 175.78 1hma h ALA 59 N 1.22 1.44 0.27 5.00 0.00 -1.10 -1.57 119.26 124.52 1hma h ALA 59 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1hma h ALA 59 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hma h ALA 59 CO -0.15 0.07 -0.13 -0.22 0.00 0.00 0.00 179.25 178.82 1hma h LYS 60 N 0.00 -0.35 -0.55 0.00 3.11 0.79 -1.66 116.57 117.90 1hma h LYS 60 Ca -0.00 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1hma h LYS 60 Cb 0.14 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1hma h LYS 60 CO 0.01 -0.00 0.16 -0.44 -2.81 0.00 0.00 179.45 176.36 1hma h ASP 61 N -0.82 0.81 0.37 4.20 3.32 -1.07 0.12 116.42 123.35 1hma h ASP 61 Ca -0.04 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1hma h ASP 61 Cb 0.51 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1hma h ASP 61 CO 0.06 0.81 0.00 0.47 -1.72 0.00 0.00 179.24 178.86 1hma n ASP 62 N -4.44 0.32 0.00 6.45 8.00 -0.62 -2.57 116.55 123.70 1hma n ASP 62 Ca 0.02 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1hma n ASP 62 Cb 0.21 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 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 -1.89 0.00 -0.68 1.24 9.36 0.28 -3.55 117.16 121.93 1hma n TYR 63 Ca 0.01 0.00 0.52 0.00 3.32 0.00 0.00 57.90 61.75 1hma n TYR 63 Cb 0.13 -0.16 0.81 0.00 -0.63 0.00 0.00 39.34 39.49 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 0.02 0.59 2.98 3.58 -1.26 0.92 116.42 123.26 1hma h ASP 64 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1hma h ASP 64 Cb 0.00 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.07 1hma h ASP 64 CO 0.00 -0.03 -0.28 0.03 -2.88 0.00 0.00 179.24 176.08 1hma h ARG 65 N 0.00 -0.76 0.00 0.28 3.08 -1.64 -0.92 114.38 114.41 1hma h ARG 65 Ca 0.93 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 61.00 1hma h ARG 65 Cb 3.64 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 33.86 1hma h ARG 65 CO -0.06 -0.50 -0.21 0.00 -1.07 0.00 0.00 179.97 178.13 1hma h ALA 66 N -0.40 0.04 -0.67 0.04 0.00 0.67 -3.34 119.26 115.61 1hma h ALA 66 Ca -0.08 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 54.51 1hma h ALA 66 Cb 0.61 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 1hma h ALA 66 CO 0.13 0.13 0.02 -0.39 0.00 0.00 0.00 179.25 179.15 1hma h VAL 67 N -1.00 0.45 -0.96 0.00 -1.51 -0.86 0.41 116.25 112.77 1hma h VAL 67 Ca -0.05 -0.05 0.30 0.00 -1.23 0.00 0.00 66.70 65.68 1hma h VAL 67 Cb 0.74 0.31 -0.17 0.00 -2.13 0.00 0.00 31.29 30.04 1hma h VAL 67 CO -0.03 0.02 0.23 0.50 -1.23 0.00 0.00 177.57 177.06 1hma h LYS 68 N 0.13 0.07 0.37 5.19 3.64 -1.29 1.11 116.57 125.80 1hma h LYS 68 Ca 0.36 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1hma h LYS 68 Cb 0.60 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1hma h LYS 68 CO -0.56 0.05 -0.18 1.05 -2.27 0.00 0.00 179.45 177.53 1hma h GLU 69 N 0.07 -0.49 -0.57 1.90 4.11 -0.35 0.13 114.58 119.40 1hma h GLU 69 Ca 0.65 0.03 0.16 0.00 0.07 0.00 0.00 59.36 60.28 1hma h GLU 69 Cb 1.46 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1hma h GLU 69 CO -0.80 -0.21 0.54 0.35 0.07 0.00 0.00 179.01 178.96 1hma h PHE 70 N -0.72 0.00 0.00 2.06 3.57 0.18 0.22 116.94 122.25 1hma h PHE 70 Ca -0.05 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 1hma h PHE 70 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1hma h PHE 70 CO -0.00 0.00 -1.69 0.39 -2.23 0.00 0.00 178.31 174.78 1hma n GLU 71 N -3.83 0.64 0.18 1.11 1.02 0.30 -3.85 120.64 116.21 1hma n GLU 71 Ca 0.11 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1hma n GLU 71 Cb 0.76 -1.67 0.64 0.00 -0.02 0.00 0.00 31.44 31.14 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 1.63 1.00 -0.50 0.62 0.00 0.23 -3.33 119.26 118.92 1hma h ALA 72 Ca -0.15 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.07 1hma h ALA 72 Cb 1.41 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1hma h ALA 72 CO 0.02 0.00 2.59 -1.71 0.00 0.00 0.00 179.25 180.15 1hma n ASN 73 N -2.34 4.47 0.00 0.00 5.15 -1.19 -5.09 115.26 116.27 1hma n ASN 73 Ca -0.01 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 1hma n ASN 73 Cb 0.06 -1.71 0.00 0.00 -0.53 0.00 0.00 39.78 37.60 1hma n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27