#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 -4.67 -3.46 2.03 -1.26 -5.11 116.55 104.08 1hma n ASP 3 Ca 0.00 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.84 1hma n ASP 3 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1hma n ASP 3 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1hma n LYS 4 N 0.00 2.11 -1.70 -0.67 4.81 -1.26 -4.83 118.16 116.62 1hma n LYS 4 Ca 0.00 0.76 -0.30 0.00 -0.87 0.00 0.00 58.31 57.90 1hma n LYS 4 Cb 0.00 -2.55 0.06 0.00 0.02 0.00 0.00 35.03 32.56 1hma n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1hma s PRO 5 N 1.82 2.65 -1.06 1.64 0.04 -1.26 -4.92 135.00 133.91 1hma s PRO 5 Ca 0.83 0.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 1hma s PRO 5 Cb -0.70 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1hma s PRO 5 CO 0.42 -1.22 1.85 -1.59 0.04 0.00 0.00 177.00 176.50 1hma s LYS 6 N -5.21 2.85 0.67 4.56 -2.85 -1.26 -4.94 119.74 113.56 1hma s LYS 6 Ca 0.59 -0.90 -0.17 0.00 -1.00 0.00 0.00 55.97 54.48 1hma s LYS 6 Cb -0.13 -5.22 -0.09 0.00 -2.06 0.00 0.00 37.83 30.33 1hma s LYS 6 CO 0.54 -3.29 0.21 0.54 0.10 0.00 0.00 175.35 173.45 1hma n ARG 7 N 8.61 0.23 -2.42 1.78 1.74 -1.26 -4.89 116.66 120.45 1hma n ARG 7 Ca 0.42 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 57.20 1hma n ARG 7 Cb 0.47 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.09 4.49 0.06 5.56 0.04 -1.26 -5.05 135.00 136.75 1hma s PRO 8 Ca 0.61 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 1hma s PRO 8 Cb -0.39 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1hma s PRO 8 CO 0.62 0.07 0.31 -0.48 0.04 0.00 0.00 177.00 177.55 1hma s LEU 9 N -1.73 0.86 0.69 -3.56 0.05 -1.26 -5.14 118.68 108.60 1hma s LEU 9 Ca 0.48 -0.27 -0.17 0.00 0.05 0.00 0.00 54.13 54.22 1hma s LEU 9 Cb -0.32 1.40 -0.10 0.00 -2.05 0.00 0.00 46.19 45.12 1hma s LEU 9 CO 0.41 -0.67 0.02 -1.20 -0.55 0.00 0.00 176.35 174.36 1hma n SER 10 N 0.36 -3.08 -0.19 1.48 7.64 -1.26 -4.65 113.62 113.92 1hma n SER 10 Ca -0.18 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.17 1hma n SER 10 Cb 0.61 -0.99 0.03 0.00 -1.01 0.00 0.00 64.21 62.85 1hma n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hma h ALA 11 N -0.35 0.71 -0.08 -0.43 0.00 -1.91 0.50 119.26 117.70 1hma h ALA 11 Ca -0.44 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1hma h ALA 11 Cb 1.38 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1hma h ALA 11 CO 0.38 0.16 0.12 -0.92 0.00 0.00 0.00 179.25 179.00 1hma h TYR 12 N 0.76 0.00 0.11 0.00 3.20 -1.95 -0.14 116.97 118.96 1hma h TYR 12 Ca 0.20 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.81 1hma h TYR 12 Cb -0.07 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.21 1hma h TYR 12 CO -0.03 0.00 -1.19 0.52 -1.64 0.00 0.00 178.16 175.82 1hma h MET 13 N 0.00 0.37 0.37 1.82 2.86 -1.21 -2.32 114.93 116.82 1hma h MET 13 Ca 0.04 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1hma h MET 13 Cb 0.28 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1hma h MET 13 CO -0.00 1.23 -0.18 -0.07 1.06 0.00 0.00 176.91 178.95 1hma h LEU 14 N 0.14 -0.42 -1.33 1.22 3.38 -0.52 -1.50 115.31 116.28 1hma h LEU 14 Ca -0.14 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1hma h LEU 14 Cb 1.88 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.69 1hma h LEU 14 CO 0.20 -0.21 0.51 -0.25 0.09 0.00 0.00 178.44 178.78 1hma h TRP 15 N -0.60 0.82 0.04 1.13 7.01 -1.59 -0.62 115.95 122.15 1hma h TRP 15 Ca -0.05 0.02 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1hma h TRP 15 Cb 0.44 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1hma h TRP 15 CO -0.02 0.41 -0.20 1.25 -2.79 0.00 0.00 178.44 177.08 1hma h LEU 16 N 0.79 -0.57 -0.77 0.65 7.12 -0.80 0.22 115.31 121.95 1hma h LEU 16 Ca 0.35 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.44 1hma h LEU 16 Cb 0.34 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1hma h LEU 16 CO -0.13 -0.27 0.00 -0.55 -0.13 0.00 0.00 178.44 177.36 1hma h ASN 17 N -0.34 0.00 -0.26 1.25 7.08 -0.47 -1.69 115.58 121.15 1hma h ASN 17 Ca 0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1hma h ASN 17 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.64 1hma h ASN 17 CO -0.15 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 173.66 1hma n SER 18 N -2.36 2.91 0.00 6.14 3.41 -0.06 -4.05 113.62 119.61 1hma n SER 18 Ca 0.02 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1hma n SER 18 Cb 0.25 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.16 1.71 0.29 7.33 0.00 0.58 -4.69 120.51 126.90 1hma n ALA 19 Ca 0.18 -0.33 0.18 0.00 0.00 0.00 0.00 53.44 53.47 1hma n ALA 19 Cb 0.54 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.87 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 0.00 0.00 0.00 0.00 3.08 -1.54 0.24 114.38 116.16 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1hma h ARG 20 CO 0.00 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.82 1hma h GLU 21 N 0.00 0.00 0.00 0.04 5.08 -1.86 -1.79 114.58 116.05 1hma h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hma h GLU 21 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1hma h GLU 21 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1hma n SER 22 N -3.52 0.41 -0.08 1.42 3.41 -1.18 -2.02 113.62 112.06 1hma n SER 22 Ca -0.00 0.66 -0.16 0.00 -0.26 0.00 0.00 58.87 59.11 1hma n SER 22 Cb 0.01 -0.72 -0.12 0.00 -0.26 0.00 0.00 64.21 63.11 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 1.52 0.00 -1.33 2.04 -0.58 -2.50 117.51 116.67 1hma h ILE 23 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1hma h ILE 23 Cb 0.12 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1hma h ILE 23 CO 0.00 0.52 0.00 2.29 0.00 0.00 0.00 178.15 180.96 1hma n LYS 24 N -4.56 0.03 -0.07 2.37 2.85 -0.67 -1.86 118.16 116.24 1hma n LYS 24 Ca -0.16 0.30 -0.21 0.00 -1.05 0.00 0.00 58.31 57.19 1hma n LYS 24 Cb 0.53 -1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 33.23 1hma n LYS 24 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1hma n ARG 25 N -1.60 0.69 0.09 -1.58 1.85 -0.86 -4.21 116.66 111.04 1hma n ARG 25 Ca 0.03 0.24 0.13 0.00 -1.00 0.00 0.00 57.85 57.25 1hma n ARG 25 Cb 0.16 -1.62 0.44 0.00 -1.05 0.00 0.00 32.46 30.40 1hma n ARG 25 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1hma n GLU 26 N -3.52 0.21 -3.94 2.89 0.28 -0.94 -4.78 120.64 110.85 1hma n GLU 26 Ca -0.40 0.22 -0.32 0.00 -0.16 0.00 0.00 57.16 56.50 1hma n GLU 26 Cb 0.99 -1.77 -0.05 0.00 1.43 0.00 0.00 31.44 32.04 1hma n GLU 26 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1hma s ASN 27 N -4.25 6.24 -1.33 -1.84 0.01 -0.78 -5.00 114.94 107.99 1hma s ASN 27 Ca 0.10 0.27 -0.15 0.00 -0.71 0.00 0.00 52.86 52.36 1hma s ASN 27 Cb 0.13 -1.91 -0.00 0.00 0.41 0.00 0.00 41.25 39.88 1hma s ASN 27 CO 0.55 0.22 2.19 -0.81 -1.51 0.00 0.00 177.10 177.73 1hma n PRO 28 N 0.65 2.61 -1.97 -0.60 -0.04 -1.26 -4.36 135.00 130.04 1hma n PRO 28 Ca -0.08 -2.44 -0.08 0.00 -0.04 0.00 0.00 63.50 60.85 1hma n PRO 28 Cb 0.52 -3.21 -0.02 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 4.17 0.02 3.11 0.55 0.00 -1.26 -4.78 105.19 106.99 1hma n GLY 29 Ca 0.52 0.00 -0.37 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 -2.48 0.01 -0.61 -0.61 3.06 -1.26 -4.85 119.36 112.63 1hma n ILE 30 Ca -0.09 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.36 1hma n ILE 30 Cb 0.45 -0.01 0.20 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 2.05 -1.08 0.15 9.51 4.76 -1.26 -4.83 118.16 127.46 1hma n LYS 31 Ca 0.02 -0.26 0.01 0.00 -2.87 0.00 0.00 58.31 55.21 1hma n LYS 31 Cb 0.52 -2.32 0.21 0.00 -1.84 0.00 0.00 35.03 31.60 1hma n LYS 31 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1hma h VAL 32 N -2.15 1.23 -0.01 -0.18 3.04 -2.00 -2.51 116.25 113.67 1hma h VAL 32 Ca -0.49 -1.99 -0.21 0.00 -1.01 0.00 0.00 66.70 63.01 1hma h VAL 32 Cb 1.29 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 32.69 1hma h VAL 32 CO 0.43 0.54 -0.88 0.71 -1.01 0.00 0.00 177.57 177.36 1hma h THR 33 N 0.00 1.44 0.00 3.17 1.35 -2.01 -3.03 112.91 113.82 1hma h THR 33 Ca -0.01 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1hma h THR 33 Cb 1.08 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1hma h THR 33 CO 0.07 0.73 -0.06 -0.62 -0.25 0.00 0.00 175.52 175.39 1hma n GLU 34 N -3.73 0.07 0.10 4.72 -0.58 -1.17 -3.36 120.64 116.69 1hma n GLU 34 Ca -0.05 0.05 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1hma n GLU 34 Cb 0.80 -1.57 0.09 0.00 -0.57 0.00 0.00 31.44 30.19 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 1.46 0.12 2.62 2.07 -1.32 -2.17 116.25 119.03 1hma h VAL 35 Ca 0.00 -2.30 -0.27 0.00 0.82 0.00 0.00 66.70 64.95 1hma h VAL 35 Cb 0.56 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1hma h VAL 35 CO 0.00 0.67 -1.23 0.00 0.02 0.00 0.00 177.57 177.02 1hma h ALA 36 N 1.18 0.11 -0.04 1.67 0.00 -1.64 -2.50 119.26 118.05 1hma h ALA 36 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1hma h ALA 36 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hma h ALA 36 CO 0.10 0.99 -0.03 -0.22 0.00 0.00 0.00 179.25 180.10 1hma h LYS 37 N 0.07 0.09 0.00 0.00 3.64 -1.60 -2.99 116.57 115.77 1hma h LYS 37 Ca -0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1hma h LYS 37 Cb 1.96 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 1hma h LYS 37 CO 0.20 0.52 -0.17 0.00 -2.27 0.00 0.00 179.45 177.72 1hma h ARG 38 N -0.34 0.00 0.00 1.90 -0.00 -1.51 -2.36 114.38 112.07 1hma h ARG 38 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 1hma h ARG 38 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.46 1hma h ARG 38 CO 0.01 0.17 -0.07 0.78 0.00 0.00 0.00 179.97 180.86 1hma h GLY 39 N 1.64 0.00 2.00 0.04 0.00 -1.30 -1.67 103.07 103.79 1hma h GLY 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hma h GLY 39 CO 0.02 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.23 1hma h GLY 40 N 1.35 0.00 1.40 4.60 0.00 -1.37 -2.77 103.07 106.27 1hma h GLY 40 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1hma h GLY 40 CO 0.01 0.00 -0.75 1.05 0.00 0.00 0.00 176.54 176.85 1hma h GLU 41 N 0.00 0.59 0.00 4.80 4.11 -1.43 -3.18 114.58 119.47 1hma h GLU 41 Ca 0.00 -0.48 -0.15 0.00 0.07 0.00 0.00 59.36 58.79 1hma h GLU 41 Cb 0.62 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1hma h GLU 41 CO 0.00 1.10 -0.91 -0.07 0.07 0.00 0.00 179.01 179.21 1hma h LEU 42 N 0.40 0.00 0.10 3.06 3.38 -1.65 -3.16 115.31 117.44 1hma h LEU 42 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1hma h LEU 42 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1hma h LEU 42 CO 0.14 0.66 -0.09 -0.25 0.09 0.00 0.00 178.44 178.99 1hma h TRP 43 N 0.00 -0.24 -0.15 1.13 2.91 -1.48 0.28 115.95 118.40 1hma h TRP 43 Ca -0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1hma h TRP 43 Cb 1.55 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 30.30 1hma h TRP 43 CO 0.00 -0.15 0.00 0.54 -1.03 0.00 0.00 178.44 177.80 1hma n ARG 44 N -5.21 1.39 0.00 2.65 1.74 -1.20 -3.41 116.66 112.61 1hma n ARG 44 Ca -0.07 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 1hma n ARG 44 Cb 0.13 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1hma n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hma n ALA 45 N -0.05 1.93 -1.12 7.54 0.00 -0.48 -4.98 120.51 123.34 1hma n ALA 45 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.01 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 -0.08 0.00 0.00 0.00 0.00 0.86 -4.99 117.12 112.91 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 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 -2.27 3.17 4.01 -1.26 -5.11 118.16 116.70 1hma n LYS 47 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1hma n LYS 47 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1hma n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1hma n ASP 48 N -0.96 0.05 -0.00 4.39 9.92 -1.26 -5.07 116.55 123.61 1hma n ASP 48 Ca 0.00 -1.26 0.01 0.00 -0.53 0.00 0.00 54.79 53.01 1hma n ASP 48 Cb 0.00 0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 1hma n ASP 48 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hma n LYS 49 N -0.08 0.79 0.15 -1.24 5.02 -1.26 -4.53 118.16 117.01 1hma n LYS 49 Ca 0.01 -0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1hma n LYS 49 Cb 0.07 -1.08 0.54 0.00 -0.02 0.00 0.00 35.03 34.54 1hma n LYS 49 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1hma n SER 50 N -1.71 0.51 0.10 4.39 7.64 -1.26 -1.62 113.62 121.66 1hma n SER 50 Ca -0.01 0.74 -0.04 0.00 1.01 0.00 0.00 58.87 60.56 1hma n SER 50 Cb 0.19 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1hma n SER 50 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1hma h GLU 51 N 0.00 -0.25 -0.15 1.43 5.08 -2.00 -2.72 114.58 115.97 1hma h GLU 51 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1hma h GLU 51 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1hma h GLU 51 CO 0.00 -0.17 -0.00 -1.49 -1.00 0.00 0.00 179.01 176.35 1hma h TRP 52 N -0.33 0.29 -0.08 4.33 4.06 -1.84 -2.21 115.95 120.17 1hma h TRP 52 Ca -0.03 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.88 1hma h TRP 52 Cb 0.20 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1hma h TRP 52 CO 0.13 0.49 -0.05 0.39 -3.56 0.00 0.00 178.44 175.84 1hma n GLU 53 N -4.75 -0.04 0.16 0.49 1.02 -0.64 0.14 120.64 117.02 1hma n GLU 53 Ca -0.05 1.02 0.13 0.00 -0.02 0.00 0.00 57.16 58.24 1hma n GLU 53 Cb 0.22 -1.52 0.67 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.85 2.18 -0.36 0.62 0.00 -1.54 -0.42 119.26 118.88 1hma h ALA 54 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1hma h ALA 54 Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1hma h ALA 54 CO -0.08 -0.27 0.09 -0.22 0.00 0.00 0.00 179.25 178.78 1hma h LYS 55 N 0.00 0.52 0.00 0.00 3.64 0.19 -1.44 116.57 119.48 1hma h LYS 55 Ca 0.10 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1hma h LYS 55 Cb 0.41 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1hma h LYS 55 CO -0.00 0.48 -0.08 0.00 -2.27 0.00 0.00 179.45 177.58 1hma h ALA 56 N 1.60 1.13 0.25 5.00 0.00 0.13 -2.99 119.26 124.38 1hma h ALA 56 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1hma h ALA 56 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hma h ALA 56 CO -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.22 1hma h ALA 57 N 1.92 -0.34 -0.75 0.00 0.00 -1.30 -1.25 119.26 117.54 1hma h ALA 57 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1hma h ALA 57 Cb 0.37 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1hma h ALA 57 CO 0.01 -0.48 0.30 0.87 0.00 0.00 0.00 179.25 179.95 1hma h LYS 58 N -0.77 0.44 -0.36 0.00 1.79 -1.56 0.61 116.57 116.72 1hma h LYS 58 Ca -0.03 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1hma h LYS 58 Cb 0.50 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1hma h LYS 58 CO 0.06 0.29 0.06 0.00 -1.08 0.00 0.00 179.45 178.78 1hma h ALA 59 N 1.54 1.44 0.24 3.86 0.00 -1.49 -1.83 119.26 123.01 1hma h ALA 59 Ca 0.41 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1hma h ALA 59 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1hma h ALA 59 CO -0.39 0.41 -0.28 -0.22 0.00 0.00 0.00 179.25 178.76 1hma h LYS 60 N 0.52 -0.55 -0.02 0.00 1.63 0.15 1.18 116.57 119.48 1hma h LYS 60 Ca 0.12 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1hma h LYS 60 Cb 0.24 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1hma h LYS 60 CO 0.00 -0.36 0.01 -0.44 -3.45 0.00 0.00 179.45 175.20 1hma h ASP 61 N -0.57 0.03 0.37 4.20 3.32 -1.05 -0.53 116.42 122.19 1hma h ASP 61 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1hma h ASP 61 Cb 0.54 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1hma h ASP 61 CO -0.09 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 178.06 1hma n ASP 62 N -5.01 0.00 -0.10 6.45 9.92 -0.72 -2.60 116.55 124.50 1hma n ASP 62 Ca -0.07 0.15 -0.24 0.00 -0.53 0.00 0.00 54.79 54.10 1hma n ASP 62 Cb 0.09 -0.33 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.33 0.67 0.18 1.24 9.36 0.40 -2.46 117.16 125.22 1hma n TYR 63 Ca 0.07 0.24 0.04 0.00 3.32 0.00 0.00 57.90 61.57 1hma n TYR 63 Cb 0.15 -1.07 0.33 0.00 -0.63 0.00 0.00 39.34 38.12 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 -0.73 0.00 0.25 2.98 3.58 -1.13 -0.70 116.42 120.67 1hma h ASP 64 Ca -0.49 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.62 1hma h ASP 64 Cb 1.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1hma h ASP 64 CO -0.21 0.42 -1.74 0.03 -2.88 0.00 0.00 179.24 174.85 1hma h ARG 65 N 0.00 0.33 0.11 0.28 3.08 -1.68 -3.30 114.38 113.20 1hma h ARG 65 Ca -0.00 -0.57 -0.28 0.00 0.07 0.00 0.00 59.98 59.20 1hma h ARG 65 Cb 0.84 0.21 0.02 0.00 0.08 0.00 0.00 29.97 31.11 1hma h ARG 65 CO 0.05 1.23 -1.20 0.00 -1.07 0.00 0.00 179.97 178.99 1hma h ALA 66 N 0.22 0.10 -0.36 0.04 0.00 -1.45 -3.29 119.26 114.52 1hma h ALA 66 Ca -0.33 -0.80 0.02 0.00 0.00 0.00 0.00 54.91 53.80 1hma h ALA 66 Cb 2.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1hma h ALA 66 CO 0.16 0.81 0.18 -0.39 0.00 0.00 0.00 179.25 180.01 1hma h VAL 67 N 0.19 0.99 -1.38 0.00 -1.51 -1.29 0.38 116.25 113.63 1hma h VAL 67 Ca -0.15 -0.13 0.41 0.00 -1.23 0.00 0.00 66.70 65.60 1hma h VAL 67 Cb 1.88 0.58 -0.09 0.00 -2.13 0.00 0.00 31.29 31.54 1hma h VAL 67 CO 0.21 0.07 0.95 0.50 -1.23 0.00 0.00 177.57 178.07 1hma h LYS 68 N 0.38 0.09 -0.01 5.19 3.11 -1.64 1.85 116.57 125.55 1hma h LYS 68 Ca 0.15 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.86 1hma h LYS 68 Cb 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1hma h LYS 68 CO -0.10 0.06 -0.48 1.49 -2.81 0.00 0.00 179.45 177.61 1hma h GLU 69 N 0.10 0.35 -0.01 1.90 4.57 -1.08 0.16 114.58 120.57 1hma h GLU 69 Ca 0.74 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1hma h GLU 69 Cb 2.57 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 31.26 1hma h GLU 69 CO -0.19 1.04 0.01 0.35 -1.18 0.00 0.00 179.01 179.03 1hma h PHE 70 N -0.19 0.00 0.00 0.92 3.57 0.36 -1.87 116.94 119.72 1hma h PHE 70 Ca -0.06 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.30 1hma h PHE 70 Cb 1.20 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1hma h PHE 70 CO 0.15 0.00 -1.88 0.39 -2.23 0.00 0.00 178.31 174.74 1hma n GLU 71 N -4.22 0.65 0.29 1.11 1.02 0.26 -4.03 120.64 115.73 1hma n GLU 71 Ca -0.03 -0.02 0.20 0.00 -0.02 0.00 0.00 57.16 57.29 1hma n GLU 71 Cb 0.09 -1.61 1.02 0.00 -0.02 0.00 0.00 31.44 30.92 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 1.60 1.00 -3.06 0.62 0.00 -0.10 -3.34 119.26 115.98 1hma h ALA 72 Ca -0.19 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.02 1hma h ALA 72 Cb 1.47 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.93 1hma h ALA 72 CO 0.02 0.00 -0.44 -0.80 0.00 0.00 0.00 179.25 178.03 1hma s ASN 73 N -4.96 5.37 0.00 0.00 -0.87 -1.19 -5.08 114.94 108.21 1hma s ASN 73 Ca -0.04 -2.33 0.00 0.00 -1.57 0.00 0.00 52.86 48.92 1hma s ASN 73 Cb 0.11 -1.88 0.00 0.00 -0.02 0.00 0.00 41.25 39.46 1hma s ASN 73 CO 0.38 -0.51 0.00 0.61 -2.57 0.00 0.00 177.10 175.02