#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 0.15 -1.68 4.04 8.00 -1.26 -4.93 116.55 120.88 1hma n ASP 3 Ca 0.00 0.68 -0.17 0.00 0.71 0.00 0.00 54.79 56.01 1hma n ASP 3 Cb 0.00 -1.36 0.10 0.00 -0.02 0.00 0.00 41.12 39.84 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 -1.43 2.80 -1.54 -1.24 0.00 -1.26 -5.04 118.16 110.45 1hma n LYS 4 Ca 0.13 -3.70 -0.29 0.00 0.00 0.00 0.00 58.31 54.44 1hma n LYS 4 Cb 0.49 -2.09 0.16 0.00 0.00 0.00 0.00 35.03 33.59 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 -3.51 0.72 -1.02 1.64 0.04 -1.26 -4.88 135.00 126.73 1hma s PRO 5 Ca 0.50 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 1hma s PRO 5 Cb 0.42 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 33.07 1hma s PRO 5 CO 0.01 -2.45 1.99 0.21 0.04 0.00 0.00 177.00 176.80 1hma s LYS 6 N -5.40 2.36 -0.14 4.56 2.20 -1.26 -4.84 119.74 117.22 1hma s LYS 6 Ca 0.66 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 55.54 1hma s LYS 6 Cb -0.12 -5.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.03 1hma s LYS 6 CO 0.54 -3.87 0.54 2.89 -0.36 0.00 0.00 175.35 175.09 1hma n ARG 7 N 8.56 0.00 -2.83 4.03 0.00 -1.26 -4.74 116.66 120.42 1hma n ARG 7 Ca 0.43 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.88 1hma n ARG 7 Cb 0.46 -0.42 -0.06 0.00 -0.00 0.00 0.00 32.46 32.44 1hma n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1hma s PRO 8 N 1.36 4.71 0.16 2.89 0.04 -1.26 -5.01 135.00 137.89 1hma s PRO 8 Ca 0.32 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.48 1hma s PRO 8 Cb -0.42 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 30.99 1hma s PRO 8 CO 0.20 0.50 0.59 -0.48 0.04 0.00 0.00 177.00 177.85 1hma s LEU 9 N -1.33 -0.49 0.72 -3.56 0.05 -1.26 -5.13 118.68 107.68 1hma s LEU 9 Ca 0.41 -0.05 -0.16 0.00 0.05 0.00 0.00 54.13 54.38 1hma s LEU 9 Cb -0.24 2.56 0.03 0.00 -2.05 0.00 0.00 46.19 46.49 1hma s LEU 9 CO 0.29 -0.98 1.25 -0.55 -0.55 0.00 0.00 176.35 175.81 1hma s SER 10 N -2.76 4.12 0.17 1.48 0.15 -1.26 -4.77 113.70 110.83 1hma s SER 10 Ca 0.02 2.50 -0.14 0.00 0.70 0.00 0.00 55.95 59.02 1hma s SER 10 Cb -0.01 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 61.81 1hma s SER 10 CO -0.12 -2.32 1.76 0.00 1.20 0.00 0.00 173.24 173.76 1hma h ALA 11 N -0.15 0.54 -0.99 5.45 0.00 -1.89 0.22 119.26 122.44 1hma h ALA 11 Ca -0.49 0.04 0.29 0.00 0.00 0.00 0.00 54.91 54.75 1hma h ALA 11 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1hma h ALA 11 CO 0.50 -0.20 0.74 -0.92 0.00 0.00 0.00 179.25 179.37 1hma h TYR 12 N 0.36 0.00 0.03 0.00 3.20 -1.94 0.17 116.97 118.79 1hma h TYR 12 Ca 0.20 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.87 1hma h TYR 12 Cb 0.17 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.46 1hma h TYR 12 CO -0.14 0.00 -0.80 0.52 -1.64 0.00 0.00 178.16 176.10 1hma h MET 13 N 0.00 0.48 -0.33 1.82 0.00 -1.29 -2.39 114.93 113.22 1hma h MET 13 Ca 0.47 -0.56 0.07 0.00 0.00 0.00 0.00 59.70 59.68 1hma h MET 13 Cb 1.95 0.17 -0.07 0.00 0.00 0.00 0.00 31.60 33.65 1hma h MET 13 CO -0.00 1.20 -0.15 -0.07 0.00 0.00 0.00 176.91 177.89 1hma h LEU 14 N 0.01 -0.51 -1.10 1.22 3.38 -0.38 0.20 115.31 118.13 1hma h LEU 14 Ca -0.11 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hma h LEU 14 Cb 1.51 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 1hma h LEU 14 CO 0.16 -0.18 0.48 -0.25 0.09 0.00 0.00 178.44 178.74 1hma h TRP 15 N -0.09 1.07 -0.89 1.13 7.01 -1.55 -1.12 115.95 121.51 1hma h TRP 15 Ca 0.17 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.36 1hma h TRP 15 Cb 0.35 -0.35 -0.07 0.00 -2.10 0.00 0.00 29.16 26.99 1hma h TRP 15 CO -0.36 0.72 0.58 1.25 -2.79 0.00 0.00 178.44 177.84 1hma h LEU 16 N 1.12 0.46 -0.70 0.65 7.12 -0.10 0.29 115.31 124.15 1hma h LEU 16 Ca 0.29 0.04 -0.13 0.00 0.13 0.00 0.00 57.88 58.21 1hma h LEU 16 Cb -0.04 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 1hma h LEU 16 CO -0.05 0.19 -0.44 0.78 -0.13 0.00 0.00 178.44 178.79 1hma h ASN 17 N 0.46 0.51 0.92 1.25 2.35 -0.18 0.71 115.58 121.61 1hma h ASN 17 Ca 0.46 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1hma h ASN 17 Cb 1.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1hma h ASN 17 CO -0.18 0.88 0.00 -1.54 -1.65 0.00 0.00 177.43 174.94 1hma n SER 18 N -4.01 0.10 -0.01 5.81 3.41 0.89 -3.08 113.62 116.73 1hma n SER 18 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1hma n SER 18 Cb 0.53 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.54 2.48 -0.03 7.33 0.00 -0.43 -4.66 120.51 123.67 1hma n ALA 19 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 53.04 1hma n ALA 19 Cb 0.31 -0.01 0.35 0.00 0.00 0.00 0.00 19.45 20.10 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 0.04 0.59 0.10 0.00 2.43 0.49 0.71 114.38 118.74 1hma h ARG 20 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1hma h ARG 20 Cb 0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1hma h ARG 20 CO 0.00 0.47 -0.05 0.93 -1.51 0.00 0.00 179.97 179.81 1hma h GLU 21 N 0.59 -0.13 0.00 0.20 5.08 -1.83 -1.80 114.58 116.69 1hma h GLU 21 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1hma h GLU 21 Cb 0.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1hma h GLU 21 CO -0.02 0.37 0.00 0.45 -1.00 0.00 0.00 179.01 178.81 1hma n SER 22 N -4.84 0.00 -0.07 1.42 2.88 -1.14 -2.27 113.62 109.60 1hma n SER 22 Ca -0.07 0.31 -0.21 0.00 -1.33 0.00 0.00 58.87 57.56 1hma n SER 22 Cb 0.28 -0.40 -0.12 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.92 0.00 2.46 2.04 0.53 -2.63 117.51 120.83 1hma h ILE 23 Ca 0.00 -2.25 -0.01 0.00 1.00 0.00 0.00 64.86 63.60 1hma h ILE 23 Cb 0.19 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1hma h ILE 23 CO 0.00 0.49 -0.04 0.11 0.00 0.00 0.00 178.15 178.71 1hma h LYS 24 N -0.70 0.00 0.00 2.37 1.57 -1.13 -2.59 116.57 116.09 1hma h LYS 24 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1hma h LYS 24 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1hma h LYS 24 CO -0.11 0.04 -0.47 0.00 -0.57 0.00 0.00 179.45 178.35 1hma h ARG 25 N 0.00 0.00 -1.16 3.15 3.08 -1.58 -3.37 114.38 114.50 1hma h ARG 25 Ca -0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.38 1hma h ARG 25 Cb 0.48 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1hma h ARG 25 CO 0.01 0.00 0.80 0.93 -1.07 0.00 0.00 179.97 180.64 1hma h GLU 26 N -0.94 0.12 -6.59 0.04 4.39 -1.54 -3.40 114.58 106.66 1hma h GLU 26 Ca 0.00 -0.01 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1hma h GLU 26 Cb 0.47 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1hma h GLU 26 CO 0.00 0.08 -0.12 -0.80 -1.16 0.00 0.00 179.01 177.01 1hma s ASN 27 N -5.15 6.32 0.00 1.42 0.01 -0.97 -5.09 114.94 111.48 1hma s ASN 27 Ca -0.06 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 1hma s ASN 27 Cb 0.24 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.80 1hma s ASN 27 CO 0.81 -0.33 0.00 -0.81 -1.51 0.00 0.00 177.10 175.26 1hma n PRO 28 N -1.69 3.16 -0.49 -0.60 -0.04 -1.26 -4.73 135.00 129.34 1hma n PRO 28 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1hma n PRO 28 Cb 0.55 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.03 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 3.42 2.82 2.82 0.55 0.00 -1.26 -4.91 105.19 108.62 1hma n GLY 29 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 0.86 0.00 -1.21 -0.61 3.06 -1.26 -4.91 119.36 115.28 1hma n ILE 30 Ca 0.09 -0.44 -0.30 0.00 -2.50 0.00 0.00 62.75 59.61 1hma n ILE 30 Cb 0.57 0.00 0.23 0.00 0.54 0.00 0.00 39.64 40.98 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 -0.98 -0.82 0.23 9.51 -0.14 -1.26 -4.83 119.74 121.45 1hma s LYS 31 Ca 0.48 -0.07 0.15 0.00 -1.36 0.00 0.00 55.97 55.17 1hma s LYS 31 Cb -0.40 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.11 1hma s LYS 31 CO 0.60 -3.44 1.32 -0.24 -0.76 0.00 0.00 175.35 172.82 1hma h VAL 32 N -2.39 0.85 -0.00 3.17 3.04 -2.00 -2.40 116.25 116.52 1hma h VAL 32 Ca -0.46 -2.26 0.00 0.00 -1.01 0.00 0.00 66.70 62.97 1hma h VAL 32 Cb 1.29 2.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1hma h VAL 32 CO 0.37 0.49 -0.01 0.41 -1.01 0.00 0.00 177.57 177.82 1hma n THR 33 N -3.17 0.00 0.00 3.17 -1.04 -1.26 -3.43 114.28 108.55 1hma n THR 33 Ca -0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1hma n THR 33 Cb 0.77 -0.42 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 1hma n THR 33 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1hma n GLU 34 N -1.00 0.20 -0.09 -2.82 -0.58 -1.18 -4.34 120.64 110.83 1hma n GLU 34 Ca 0.21 -0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.99 1hma n GLU 34 Cb 0.16 -1.00 0.39 0.00 -0.57 0.00 0.00 31.44 30.42 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hma h VAL 35 N 0.00 1.07 0.00 2.62 2.07 -1.45 -1.31 116.25 119.25 1hma h VAL 35 Ca 0.00 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1hma h VAL 35 Cb 0.03 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1hma h VAL 35 CO 0.00 0.12 -1.22 0.00 0.02 0.00 0.00 177.57 176.49 1hma h ALA 36 N 1.67 0.65 0.68 1.67 0.00 -1.82 -3.20 119.26 118.91 1hma h ALA 36 Ca 0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1hma h ALA 36 Cb 0.09 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hma h ALA 36 CO -0.06 0.85 -0.33 -0.22 0.00 0.00 0.00 179.25 179.49 1hma h LYS 37 N 0.00 -0.88 0.00 0.00 1.63 -1.47 -2.44 116.57 113.42 1hma h LYS 37 Ca -0.13 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1hma h LYS 37 Cb 1.54 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1hma h LYS 37 CO 0.05 -0.55 0.00 0.00 -3.45 0.00 0.00 179.45 175.50 1hma h ARG 38 N -1.09 0.00 -0.03 1.90 -0.00 -1.52 -1.73 114.38 111.91 1hma h ARG 38 Ca -0.09 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.27 1hma h ARG 38 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 1hma h ARG 38 CO 0.15 0.00 -0.53 0.78 0.00 0.00 0.00 179.97 180.37 1hma h GLY 39 N 0.94 0.09 2.00 0.04 0.00 -1.43 -2.43 103.07 102.28 1hma h GLY 39 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1hma h GLY 39 CO 0.00 0.09 0.00 -1.33 0.00 0.00 0.00 176.54 175.30 1hma h GLY 40 N 1.52 0.00 0.92 4.60 0.00 -0.97 -2.67 103.07 106.46 1hma h GLY 40 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1hma h GLY 40 CO 0.07 0.00 -0.02 1.05 0.00 0.00 0.00 176.54 177.65 1hma h GLU 41 N 0.00 0.63 0.00 4.80 4.11 -1.55 -2.98 114.58 119.59 1hma h GLU 41 Ca 0.00 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 59.05 1hma h GLU 41 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1hma h GLU 41 CO 0.00 0.75 -0.83 -0.07 0.07 0.00 0.00 179.01 178.94 1hma h LEU 42 N 0.43 0.00 0.42 3.06 3.38 -1.64 -3.02 115.31 117.94 1hma h LEU 42 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1hma h LEU 42 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1hma h LEU 42 CO 0.02 0.77 -0.40 -0.25 0.09 0.00 0.00 178.44 178.67 1hma h TRP 43 N 0.00 -1.09 -0.11 1.13 2.91 -1.37 0.69 115.95 118.11 1hma h TRP 43 Ca -0.02 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1hma h TRP 43 Cb 1.61 0.42 0.00 0.00 -0.51 0.00 0.00 29.16 30.68 1hma h TRP 43 CO 0.00 -0.56 0.00 0.54 -1.03 0.00 0.00 178.44 177.39 1hma n ARG 44 N -5.50 1.32 0.00 2.65 5.12 -1.14 -3.35 116.66 115.77 1hma n ARG 44 Ca -0.11 -0.50 0.00 0.00 -1.93 0.00 0.00 57.85 55.32 1hma n ARG 44 Cb 0.40 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1hma n ARG 44 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hma n ALA 45 N -0.19 2.36 -1.01 7.54 0.00 -0.55 -4.96 120.51 123.70 1hma n ALA 45 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1hma n ALA 45 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1hma n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hma n MET 46 N -0.22 0.00 0.00 0.00 0.00 0.23 -4.98 117.12 112.16 1hma n MET 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1hma n MET 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -4.44 3.17 4.01 -1.26 -5.10 118.16 114.53 1hma n LYS 47 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 1hma n LYS 47 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1hma s ASP 48 N -0.07 2.50 -0.01 4.39 1.11 -1.26 -5.06 116.67 118.28 1hma s ASP 48 Ca 0.00 -1.75 0.06 0.00 0.18 0.00 0.00 52.55 51.04 1hma s ASP 48 Cb 0.00 0.59 -0.08 0.00 1.07 0.00 0.00 42.92 44.50 1hma s ASP 48 CO 0.00 -1.02 0.16 0.29 1.18 0.00 0.00 175.17 175.78 1hma n LYS 49 N -0.85 1.45 0.10 8.23 4.01 -1.26 -4.47 118.16 125.37 1hma n LYS 49 Ca -0.01 -0.04 0.08 0.00 -0.51 0.00 0.00 58.31 57.83 1hma n LYS 49 Cb 0.64 -1.05 0.40 0.00 -0.51 0.00 0.00 35.03 34.51 1hma n LYS 49 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1hma n SER 50 N -1.56 0.39 0.00 4.39 2.88 -1.26 -1.36 113.62 117.10 1hma n SER 50 Ca -0.01 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1hma n SER 50 Cb 0.14 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1hma n SER 50 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1hma n GLU 51 N -1.99 0.00 0.15 -1.46 1.02 -1.26 -2.51 120.64 114.59 1hma n GLU 51 Ca 0.00 0.43 -0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1hma n GLU 51 Cb 0.09 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.30 -0.30 -0.32 4.06 -1.85 -2.83 115.95 114.41 1hma h TRP 52 Ca 0.00 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.97 1hma h TRP 52 Cb 0.00 0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 1hma h TRP 52 CO 0.11 -0.18 -0.18 0.39 -3.56 0.00 0.00 178.44 175.02 1hma n GLU 53 N -5.23 -0.13 -0.31 0.49 1.02 -0.46 0.18 120.64 116.20 1hma n GLU 53 Ca -0.09 0.85 0.07 0.00 -0.02 0.00 0.00 57.16 57.97 1hma n GLU 53 Cb 0.15 -1.26 0.23 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.25 1.32 -0.87 0.62 0.00 -1.42 0.03 119.26 118.68 1hma h ALA 54 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1hma h ALA 54 Cb 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1hma h ALA 54 CO -0.28 -0.04 0.54 -0.22 0.00 0.00 0.00 179.25 179.25 1hma h LYS 55 N 0.68 0.93 -0.55 0.00 3.64 0.21 0.82 116.57 122.31 1hma h LYS 55 Ca 0.47 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.92 1hma h LYS 55 Cb 0.63 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1hma h LYS 55 CO -0.34 0.62 0.38 0.00 -2.27 0.00 0.00 179.45 177.84 1hma h ALA 56 N 1.42 2.24 -0.28 5.00 0.00 0.12 0.05 119.26 127.82 1hma h ALA 56 Ca 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1hma h ALA 56 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1hma h ALA 56 CO -0.19 -0.39 0.02 0.00 0.00 0.00 0.00 179.25 178.69 1hma h ALA 57 N 1.73 0.38 -0.88 0.00 0.00 -0.72 -2.68 119.26 117.08 1hma h ALA 57 Ca 0.26 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1hma h ALA 57 Cb 0.76 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1hma h ALA 57 CO -0.05 0.10 0.55 -0.22 0.00 0.00 0.00 179.25 179.63 1hma h LYS 58 N 0.28 0.97 0.00 0.00 3.64 -0.78 0.17 116.57 120.86 1hma h LYS 58 Ca 0.08 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1hma h LYS 58 Cb 0.40 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1hma h LYS 58 CO 0.01 0.64 -0.12 0.00 -2.27 0.00 0.00 179.45 177.72 1hma h ALA 59 N 1.41 1.52 0.69 5.00 0.00 -1.25 -1.03 119.26 125.60 1hma h ALA 59 Ca 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1hma h ALA 59 Cb 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hma h ALA 59 CO -0.17 0.15 -0.33 -0.22 0.00 0.00 0.00 179.25 178.67 1hma h LYS 60 N 0.00 -0.89 -0.16 0.00 3.64 -0.34 0.13 116.57 118.95 1hma h LYS 60 Ca -0.00 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1hma h LYS 60 Cb 0.25 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1hma h LYS 60 CO 0.02 -0.59 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.15 1hma h ASP 61 N -1.20 0.21 1.33 4.20 5.19 -1.30 -0.21 116.42 124.64 1hma h ASP 61 Ca -0.09 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1hma h ASP 61 Cb 0.71 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1hma h ASP 61 CO 0.15 0.27 -0.01 0.47 -3.12 0.00 0.00 179.24 177.01 1hma n ASP 62 N -4.38 0.57 -0.00 6.45 9.92 -0.40 -2.36 116.55 126.35 1hma n ASP 62 Ca -0.00 0.55 -0.20 0.00 -0.53 0.00 0.00 54.79 54.60 1hma n ASP 62 Cb 0.18 -0.70 -0.14 0.00 -0.64 0.00 0.00 41.12 39.82 1hma n ASP 62 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1hma h TYR 63 N 0.00 0.38 -0.08 1.24 5.03 0.11 -0.27 116.97 123.39 1hma h TYR 63 Ca 0.00 -0.28 -0.17 0.00 2.58 0.00 0.00 58.73 60.86 1hma h TYR 63 Cb 0.67 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 1hma h TYR 63 CO 0.00 1.44 -0.69 0.22 -1.32 0.00 0.00 178.16 177.81 1hma h ASP 64 N -0.45 0.43 0.46 -2.11 1.82 -1.50 -2.32 116.42 112.75 1hma h ASP 64 Ca -0.24 -0.27 -0.31 0.00 -0.39 0.00 0.00 57.03 55.82 1hma h ASP 64 Cb 1.62 -0.13 0.02 0.00 0.68 0.00 0.00 39.33 41.52 1hma h ASP 64 CO 0.05 0.99 -1.37 -0.09 -1.61 0.00 0.00 179.24 177.21 1hma h ARG 65 N 0.25 0.39 0.00 0.28 2.43 -1.60 -3.32 114.38 112.82 1hma h ARG 65 Ca -0.02 -0.67 -0.10 0.00 -0.81 0.00 0.00 59.98 58.38 1hma h ARG 65 Cb 1.25 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 1hma h ARG 65 CO 0.12 1.32 -0.46 0.00 -1.51 0.00 0.00 179.97 179.44 1hma h ALA 66 N 0.38 0.91 -0.52 2.80 0.00 -1.04 -3.13 119.26 118.66 1hma h ALA 66 Ca -0.20 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1hma h ALA 66 Cb 2.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1hma h ALA 66 CO 0.23 0.57 -0.04 -0.39 0.00 0.00 0.00 179.25 179.63 1hma h VAL 67 N 0.00 1.27 0.53 0.00 -1.51 -1.51 0.10 116.25 115.13 1hma h VAL 67 Ca -0.00 -1.15 -0.02 0.00 -1.23 0.00 0.00 66.70 64.29 1hma h VAL 67 Cb 1.04 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1hma h VAL 67 CO 0.06 0.41 -0.34 0.11 -1.23 0.00 0.00 177.57 176.58 1hma h LYS 68 N 0.82 -0.79 -0.33 5.19 1.57 -1.64 1.32 116.57 122.70 1hma h LYS 68 Ca 0.14 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1hma h LYS 68 Cb 0.58 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1hma h LYS 68 CO 0.03 -0.53 0.22 0.93 -0.57 0.00 0.00 179.45 179.54 1hma h GLU 69 N -0.82 0.28 0.00 3.15 5.08 -1.52 0.17 114.58 120.92 1hma h GLU 69 Ca -0.06 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1hma h GLU 69 Cb 0.68 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1hma h GLU 69 CO 0.05 0.18 -0.58 0.35 -1.00 0.00 0.00 179.01 178.01 1hma h PHE 70 N 0.29 0.00 0.00 4.33 3.57 0.48 -2.86 116.94 122.74 1hma h PHE 70 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1hma h PHE 70 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1hma h PHE 70 CO -0.00 0.58 -0.60 0.39 -2.23 0.00 0.00 178.31 176.45 1hma n GLU 71 N -3.82 0.01 -0.52 1.11 1.02 0.44 -3.87 120.64 115.02 1hma n GLU 71 Ca -0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1hma n GLU 71 Cb 0.59 -1.51 0.14 0.00 -0.02 0.00 0.00 31.44 30.64 1hma n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma n ALA 72 N -1.52 3.60 -1.90 0.62 0.00 0.33 -4.39 120.51 117.26 1hma n ALA 72 Ca 0.05 -1.17 -0.37 0.00 0.00 0.00 0.00 53.44 51.95 1hma n ALA 72 Cb 0.34 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1hma n ALA 72 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hma n ASN 73 N -0.00 7.11 0.00 0.00 6.94 -1.25 -5.03 115.26 123.02 1hma n ASN 73 Ca 0.21 -3.81 0.00 0.00 -0.02 0.00 0.00 54.58 50.96 1hma n ASN 73 Cb 0.90 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1hma n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84