#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmx n MET 2 N 0.00 2.78 -3.78 -0.41 2.00 -1.26 -5.08 117.12 111.37 2hmx n MET 2 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2hmx n MET 2 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.20 2hmx n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hmx n GLY 3 N 1.48 -2.21 0.27 3.03 0.00 -1.26 -4.96 105.19 101.54 2hmx n GLY 3 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 2hmx n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hmx h ALA 4 N 0.00 0.85 -0.91 4.61 0.00 -2.03 -3.47 119.26 118.32 2hmx h ALA 4 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2hmx h ALA 4 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2hmx h ALA 4 CO 0.00 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.43 2hmx n ARG 5 N -4.11 0.00 -3.00 0.00 1.74 -1.26 -5.05 116.66 104.98 2hmx n ARG 5 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.02 2hmx n ARG 5 Cb 0.43 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.91 2hmx n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hmx n ALA 6 N -1.59 -2.35 -0.96 7.54 0.00 -1.26 -4.78 120.51 117.10 2hmx n ALA 6 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2hmx n ALA 6 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.18 2hmx n ALA 6 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hmx n SER 7 N -2.36 -1.02 0.01 0.00 7.64 -1.26 -1.76 113.62 114.88 2hmx n SER 7 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 2hmx n SER 7 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 2hmx n SER 7 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2hmx h VAL 8 N 0.00 0.37 -3.77 0.44 2.07 -1.95 -3.48 116.25 109.94 2hmx h VAL 8 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hmx h VAL 8 Cb 0.00 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2hmx h VAL 8 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 2hmx n LEU 9 N -5.38 0.00 -4.62 2.57 4.77 -0.72 -4.88 117.00 108.73 2hmx n LEU 9 Ca -0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.71 2hmx n LEU 9 Cb 0.30 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2hmx n LEU 9 CO 0.18 -0.36 -0.32 -0.94 -1.33 0.00 0.00 177.39 174.62 2hmx s SER 10 N -0.97 4.24 0.28 -1.43 1.04 -1.26 -4.70 113.70 110.91 2hmx s SER 10 Ca 0.00 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 2hmx s SER 10 Cb 0.00 -0.60 0.41 0.00 0.10 0.00 0.00 66.02 65.93 2hmx s SER 10 CO 0.00 -0.15 1.88 1.23 0.98 0.00 0.00 173.24 177.17 2hmx h GLY 11 N 1.86 1.02 1.21 7.32 0.00 -1.98 0.66 103.07 113.17 2hmx h GLY 11 Ca -0.43 -0.50 -0.32 0.00 0.00 0.00 0.00 47.33 46.08 2hmx h GLY 11 CO 0.64 0.47 -1.39 -1.33 0.00 0.00 0.00 176.54 174.94 2hmx h GLY 12 N 1.02 0.63 2.00 4.60 0.00 -1.99 -2.51 103.07 106.83 2hmx h GLY 12 Ca 0.23 -1.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.03 2hmx h GLY 12 CO -0.03 1.34 -0.00 0.83 0.00 0.00 0.00 176.54 178.68 2hmx h GLU 13 N 0.15 0.00 0.06 4.80 5.08 -0.97 -1.19 114.58 122.51 2hmx h GLU 13 Ca -0.23 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.76 2hmx h GLU 13 Cb 2.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 2hmx h GLU 13 CO 0.26 0.00 -2.15 -0.11 -1.00 0.00 0.00 179.01 176.02 2hmx n LEU 14 N -3.33 2.66 0.03 1.33 7.94 0.20 0.59 117.00 126.41 2hmx n LEU 14 Ca -0.03 0.11 0.02 0.00 -1.11 0.00 0.00 56.01 55.00 2hmx n LEU 14 Cb 0.08 -1.02 0.11 0.00 0.53 0.00 0.00 43.42 43.12 2hmx n LEU 14 CO 0.23 0.82 0.56 -0.67 -1.11 0.00 0.00 177.39 177.22 2hmx n ASP 15 N -3.53 0.10 -0.09 1.96 2.03 -0.96 0.58 116.55 116.64 2hmx n ASP 15 Ca -0.38 0.54 -0.09 0.00 0.52 0.00 0.00 54.79 55.37 2hmx n ASP 15 Cb 0.99 -0.55 -0.15 0.00 -0.72 0.00 0.00 41.12 40.69 2hmx n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2hmx n LYS 16 N -1.63 0.95 0.20 -0.67 4.76 -0.48 -4.08 118.16 117.19 2hmx n LYS 16 Ca -0.00 -0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.56 2hmx n LYS 16 Cb 0.02 -1.48 0.33 0.00 -1.84 0.00 0.00 35.03 32.06 2hmx n LYS 16 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2hmx h TRP 17 N 0.00 0.00 0.00 2.13 2.91 0.55 -3.39 115.95 118.15 2hmx h TRP 17 Ca -0.51 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.51 2hmx h TRP 17 Cb 2.15 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 30.80 2hmx h TRP 17 CO 0.00 0.00 -0.03 0.93 -1.03 0.00 0.00 178.44 178.31 2hmx h GLU 18 N 0.00 0.00 -0.41 2.65 4.39 -0.01 -3.17 114.58 118.03 2hmx h GLU 18 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2hmx h GLU 18 Cb 0.82 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.27 2hmx h GLU 18 CO 0.00 0.03 -0.61 1.17 -1.16 0.00 0.00 179.01 178.44 2hmx n LYS 19 N -4.09 0.87 -2.82 2.33 4.81 -0.52 -4.32 118.16 114.41 2hmx n LYS 19 Ca -0.03 -2.12 -0.42 0.00 -0.87 0.00 0.00 58.31 54.88 2hmx n LYS 19 Cb 0.11 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.81 2hmx n LYS 19 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hmx s ILE 20 N 0.06 4.84 0.43 3.15 1.01 -0.85 -4.66 121.20 125.18 2hmx s ILE 20 Ca 0.30 1.76 -0.26 0.00 0.00 0.00 0.00 60.65 62.45 2hmx s ILE 20 Cb 0.25 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2hmx s ILE 20 CO -0.15 -0.00 1.43 -0.13 0.00 0.00 0.00 174.94 176.08 2hmx s ARG 21 N 2.24 3.82 -0.00 2.79 0.52 0.20 0.61 118.95 129.13 2hmx s ARG 21 Ca 0.41 2.43 -0.00 0.00 -0.52 0.00 0.00 55.73 58.05 2hmx s ARG 21 Cb -0.17 -2.75 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 2hmx s ARG 21 CO 0.13 -0.71 -0.00 1.47 0.02 0.00 0.00 175.30 176.20 2hmx n LEU 22 N 0.01 0.01 -4.73 2.53 -0.00 -0.90 -1.69 117.00 112.23 2hmx n LEU 22 Ca 0.04 0.01 -0.40 0.00 -0.00 0.00 0.00 56.01 55.66 2hmx n LEU 22 Cb 0.41 -0.50 -0.05 0.00 -0.00 0.00 0.00 43.42 43.28 2hmx n LEU 22 CO 0.60 -0.50 0.47 0.00 -0.00 0.00 0.00 177.39 177.96 2hmx s ARG 23 N -1.01 4.48 0.62 1.47 1.70 -1.26 -4.55 118.95 120.40 2hmx s ARG 23 Ca -0.00 1.04 0.35 0.00 -0.47 0.00 0.00 55.73 56.65 2hmx s ARG 23 Cb 0.00 -3.40 2.04 0.00 -0.57 0.00 0.00 34.95 33.02 2hmx s ARG 23 CO 0.00 0.18 2.29 -1.00 -1.08 0.00 0.00 175.30 175.69 2hmx h PRO 24 N 6.15 0.00 0.00 3.89 0.14 -1.95 0.54 132.00 140.77 2hmx h PRO 24 Ca -0.43 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.71 2hmx h PRO 24 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 2hmx h PRO 24 CO 0.73 0.00 0.00 0.41 0.14 0.00 0.00 178.00 179.28 2hmx n GLY 25 N -1.24 -0.84 2.04 1.56 0.00 -1.26 -4.80 105.19 100.64 2hmx n GLY 25 Ca -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2hmx n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hmx n GLY 26 N -1.20 0.47 0.20 -0.02 0.00 0.19 -4.96 105.19 99.86 2hmx n GLY 26 Ca -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2hmx n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hmx h LYS 27 N 0.24 -0.40 -6.62 1.61 1.57 -1.87 -3.47 116.57 107.63 2hmx h LYS 27 Ca -0.02 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 58.11 2hmx h LYS 27 Cb 0.07 0.09 -0.20 0.00 0.08 0.00 0.00 32.23 32.28 2hmx h LYS 27 CO 0.03 -0.16 -0.79 0.15 -0.57 0.00 0.00 179.45 178.11 2hmx s LYS 28 N -3.23 1.98 0.15 3.15 1.02 -1.26 -5.06 119.74 116.49 2hmx s LYS 28 Ca -0.09 -1.06 0.10 0.00 0.02 0.00 0.00 55.97 54.94 2hmx s LYS 28 Cb 0.01 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2hmx s LYS 28 CO 0.29 0.51 -0.21 1.14 -0.92 0.00 0.00 175.35 176.16 2hmx s GLN 29 N -1.80 1.32 0.29 1.68 0.00 -1.26 -2.12 119.66 117.76 2hmx s GLN 29 Ca 0.17 -1.38 -0.28 0.00 -0.00 0.00 0.00 55.36 53.87 2hmx s GLN 29 Cb -0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 33.01 31.26 2hmx s GLN 29 CO 0.08 0.34 1.00 0.71 0.00 0.00 0.00 175.29 177.42 2hmx s TYR 30 N -1.63 3.73 0.29 9.60 1.51 0.20 -4.80 117.35 126.25 2hmx s TYR 30 Ca 0.15 1.80 0.05 0.00 -1.01 0.00 0.00 57.07 58.05 2hmx s TYR 30 Cb -0.08 -3.07 -0.03 0.00 -0.11 0.00 0.00 41.96 38.67 2hmx s TYR 30 CO 0.07 -0.01 0.24 0.15 -1.11 0.00 0.00 175.55 174.89 2hmx s LYS 31 N -1.60 1.59 -0.03 -0.62 3.01 -1.26 -1.44 119.74 119.39 2hmx s LYS 31 Ca 0.46 -1.90 0.18 0.00 -1.01 0.00 0.00 55.97 53.70 2hmx s LYS 31 Cb -0.26 0.31 -0.21 0.00 -1.01 0.00 0.00 37.83 36.67 2hmx s LYS 31 CO 0.32 -0.58 0.55 1.28 0.51 0.00 0.00 175.35 177.43 2hmx n LEU 32 N -0.52 0.48 0.03 3.17 4.77 -1.26 0.59 117.00 124.27 2hmx n LEU 32 Ca 0.06 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.31 2hmx n LEU 32 Cb 0.63 0.19 0.23 0.00 -2.33 0.00 0.00 43.42 42.15 2hmx n LEU 32 CO 0.32 0.24 0.66 1.17 -1.33 0.00 0.00 177.39 178.45 2hmx n LYS 33 N -2.76 0.04 -0.01 3.23 4.81 -1.26 -1.99 118.16 120.21 2hmx n LYS 33 Ca -0.16 0.41 0.04 0.00 -0.87 0.00 0.00 58.31 57.73 2hmx n LYS 33 Cb 0.90 -1.59 -0.09 0.00 0.02 0.00 0.00 35.03 34.27 2hmx n LYS 33 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2hmx n HIS 34 N -1.66 0.00 -0.14 5.64 -0.00 -0.72 -1.78 115.22 116.56 2hmx n HIS 34 Ca 0.01 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.11 2hmx n HIS 34 Cb 0.09 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 29.65 2hmx n HIS 34 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 2hmx h ILE 35 N 0.00 1.15 -0.04 3.57 2.10 0.17 -1.23 117.51 123.22 2hmx h ILE 35 Ca -0.06 -0.35 -0.05 0.00 1.08 0.00 0.00 64.86 65.48 2hmx h ILE 35 Cb 0.75 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.08 2hmx h ILE 35 CO 0.00 0.15 -0.20 0.58 -1.08 0.00 0.00 178.15 177.60 2hmx h VAL 36 N 0.56 1.16 0.46 2.19 2.07 -1.07 0.62 116.25 122.25 2hmx h VAL 36 Ca 0.15 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2hmx h VAL 36 Cb 0.02 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2hmx h VAL 36 CO -0.03 0.22 -0.25 -0.25 0.02 0.00 0.00 177.57 177.29 2hmx h TRP 37 N 0.06 -0.65 0.21 1.57 7.01 -1.07 -1.04 115.95 122.04 2hmx h TRP 37 Ca 0.01 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2hmx h TRP 37 Cb 0.39 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 2hmx h TRP 37 CO 0.00 -0.39 -0.10 0.00 -2.79 0.00 0.00 178.44 175.16 2hmx h ALA 38 N -0.13 -1.06 -0.01 2.65 0.00 0.05 -0.78 119.26 119.97 2hmx h ALA 38 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hmx h ALA 38 Cb 0.52 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hmx h ALA 38 CO 0.08 -1.04 0.05 0.77 0.00 0.00 0.00 179.25 179.11 2hmx h SER 39 N -0.29 0.00 0.53 0.00 0.02 0.12 0.86 113.55 114.79 2hmx h SER 39 Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2hmx h SER 39 Cb 0.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 2hmx h SER 39 CO 0.05 0.00 -0.26 0.03 -1.14 0.00 0.00 176.83 175.51 2hmx h ARG 40 N 0.00 -0.69 0.00 3.45 2.47 -1.18 -1.40 114.38 117.02 2hmx h ARG 40 Ca 0.00 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2hmx h ARG 40 Cb 0.10 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2hmx h ARG 40 CO -0.00 -0.46 -0.01 1.49 0.56 0.00 0.00 179.97 181.55 2hmx h GLU 41 N -1.08 0.00 0.16 0.04 4.57 0.22 0.43 114.58 118.92 2hmx h GLU 41 Ca -0.07 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2hmx h GLU 41 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2hmx h GLU 41 CO 0.12 0.01 -0.08 1.25 -1.18 0.00 0.00 179.01 179.13 2hmx h LEU 42 N 0.00 -0.19 -2.24 1.64 5.85 -0.90 0.57 115.31 120.04 2hmx h LEU 42 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2hmx h LEU 42 Cb 0.03 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2hmx h LEU 42 CO 0.00 -0.08 0.09 1.05 -0.34 0.00 0.00 178.44 179.16 2hmx h GLU 43 N -0.32 0.00 -0.00 1.25 -0.00 -0.46 0.44 114.58 115.49 2hmx h GLU 43 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2hmx h GLU 43 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 2hmx h GLU 43 CO 0.04 0.00 -0.43 0.54 -0.00 0.00 0.00 179.01 179.16 2hmx n ARG 44 N -2.75 2.52 0.49 1.06 5.12 0.14 -0.88 116.66 122.36 2hmx n ARG 44 Ca -0.02 -0.32 -0.19 0.00 -1.93 0.00 0.00 57.85 55.38 2hmx n ARG 44 Cb 0.14 -1.11 -0.09 0.00 -1.16 0.00 0.00 32.46 30.24 2hmx n ARG 44 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2hmx h PHE 45 N 0.65 -1.16 0.00 -1.55 0.04 0.24 -3.45 116.94 111.71 2hmx h PHE 45 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2hmx h PHE 45 Cb 0.35 0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2hmx h PHE 45 CO 0.00 -0.72 0.00 0.00 -0.60 0.00 0.00 178.31 176.99 2hmx n ALA 46 N -2.65 0.38 -2.54 2.45 0.00 -0.83 -5.08 120.51 112.24 2hmx n ALA 46 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2hmx n ALA 46 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2hmx n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hmx s VAL 47 N 0.00 2.24 -0.11 0.00 1.01 -0.06 -5.00 120.40 118.49 2hmx s VAL 47 Ca 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 61.98 59.76 2hmx s VAL 47 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2hmx s VAL 47 CO 0.00 -0.20 -0.05 0.21 0.00 0.00 0.00 175.10 175.06 2hmx s ASN 48 N -3.61 4.72 0.14 3.32 3.84 -1.26 -4.40 114.94 117.70 2hmx s ASN 48 Ca 0.32 -0.06 -0.16 0.00 0.21 0.00 0.00 52.86 53.17 2hmx s ASN 48 Cb 0.03 -1.45 0.01 0.00 -0.55 0.00 0.00 41.25 39.28 2hmx s ASN 48 CO 0.16 0.28 1.74 1.55 -2.79 0.00 0.00 177.10 178.05 2hmx h PRO 49 N 5.86 0.58 0.00 0.43 0.13 -1.90 -2.30 132.00 134.79 2hmx h PRO 49 Ca -0.41 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2hmx h PRO 49 Cb 1.18 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2hmx h PRO 49 CO 0.57 0.48 -0.19 0.78 -0.23 0.00 0.00 178.00 179.40 2hmx h GLY 50 N 0.53 0.00 1.72 1.56 0.00 -1.97 0.97 103.07 105.88 2hmx h GLY 50 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.49 2hmx h GLY 50 CO -0.02 0.00 0.16 -2.00 0.00 0.00 0.00 176.54 174.68 2hmx h LEU 51 N 0.00 0.22 0.00 3.11 6.46 -1.84 -1.51 115.31 121.76 2hmx h LEU 51 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2hmx h LEU 51 Cb 0.76 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2hmx h LEU 51 CO 0.02 0.16 -0.91 -0.11 -0.62 0.00 0.00 178.44 176.99 2hmx n LEU 52 N -4.50 0.63 0.02 2.25 -0.00 0.27 -2.49 117.00 113.19 2hmx n LEU 52 Ca 0.01 -0.42 0.03 0.00 -0.00 0.00 0.00 56.01 55.63 2hmx n LEU 52 Cb 0.12 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 43.95 2hmx n LEU 52 CO 0.35 0.16 1.09 -0.08 -0.00 0.00 0.00 177.39 178.90 2hmx h GLU 53 N 0.00 0.48 -6.72 1.96 4.57 0.12 -3.40 114.58 111.60 2hmx h GLU 53 Ca 0.00 -0.05 -0.49 0.00 -1.18 0.00 0.00 59.36 57.64 2hmx h GLU 53 Cb 0.43 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2hmx h GLU 53 CO 0.00 0.38 -0.02 0.95 -1.18 0.00 0.00 179.01 179.14 2hmx s THR 54 N -5.30 4.96 0.22 0.32 -4.23 -0.95 -4.91 115.64 105.75 2hmx s THR 54 Ca -0.08 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 2hmx s THR 54 Cb 0.17 -3.81 0.16 0.00 1.34 0.00 0.00 72.50 70.36 2hmx s THR 54 CO 0.73 -0.61 1.80 0.77 -0.54 0.00 0.00 174.62 176.78 2hmx h SER 55 N 0.85 0.56 0.08 3.99 4.64 -1.84 -2.05 113.55 119.78 2hmx h SER 55 Ca -0.48 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2hmx h SER 55 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2hmx h SER 55 CO 0.63 0.35 -0.04 -0.08 -0.87 0.00 0.00 176.83 176.82 2hmx h GLU 56 N 0.69 -0.10 0.00 4.77 4.81 -1.93 0.63 114.58 123.45 2hmx h GLU 56 Ca 0.33 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2hmx h GLU 56 Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2hmx h GLU 56 CO -0.21 0.09 -0.02 0.78 -0.73 0.00 0.00 179.01 178.93 2hmx h GLY 57 N -0.28 0.00 1.47 1.92 0.00 -1.53 0.57 103.07 105.23 2hmx h GLY 57 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2hmx h GLY 57 CO 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.38 2hmx h ARG 59 N 0.56 0.01 -0.11 0.00 9.65 0.42 0.57 114.38 125.46 2hmx h ARG 59 Ca 0.09 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.92 2hmx h ARG 59 Cb 0.62 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2hmx h ARG 59 CO 0.04 0.78 -0.14 0.37 2.80 0.00 0.00 179.97 183.83 2hmx h GLN 60 N 0.00 0.18 0.04 0.20 5.75 0.21 -1.84 115.11 119.64 2hmx h GLN 60 Ca -0.01 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2hmx h GLN 60 Cb 1.38 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.90 2hmx h GLN 60 CO 0.10 0.32 -0.02 0.82 -2.65 0.00 0.00 178.83 177.41 2hmx h ILE 61 N 0.17 0.00 0.00 2.39 1.08 0.17 -2.36 117.51 118.96 2hmx h ILE 61 Ca 0.03 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2hmx h ILE 61 Cb 0.35 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2hmx h ILE 61 CO 0.02 0.00 0.00 0.25 -0.69 0.00 0.00 178.15 177.73 2hmx h LEU 62 N -0.45 0.00 0.00 1.44 5.85 0.11 0.98 115.31 123.25 2hmx h LEU 62 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2hmx h LEU 62 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2hmx h LEU 62 CO 0.01 0.00 -0.60 1.23 -0.34 0.00 0.00 178.44 178.74 2hmx h GLY 63 N 0.13 0.00 2.00 3.75 0.00 -1.44 -2.44 103.07 105.06 2hmx h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hmx h GLY 63 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.54 174.93 2hmx h GLN 64 N -1.00 0.00 0.00 4.80 4.15 0.12 -3.31 115.11 119.87 2hmx h GLN 64 Ca -0.15 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.08 2hmx h GLN 64 Cb 0.96 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 2hmx h GLN 64 CO -0.09 0.00 -1.94 -0.11 -1.93 0.00 0.00 178.83 174.76 2hmx n LEU 65 N -2.74 0.00 0.20 -2.39 7.94 0.21 -2.22 117.00 118.01 2hmx n LEU 65 Ca -0.02 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.74 2hmx n LEU 65 Cb 0.10 0.27 -0.08 0.00 0.53 0.00 0.00 43.42 44.24 2hmx n LEU 65 CO 0.17 0.27 0.74 1.56 -1.11 0.00 0.00 177.39 179.01 2hmx h GLN 66 N 0.00 -0.49 -0.33 1.96 1.08 -1.52 0.94 115.11 116.75 2hmx h GLN 66 Ca -0.29 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.01 2hmx h GLN 66 Cb 1.59 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 29.05 2hmx h GLN 66 CO 0.02 -0.32 -0.36 -1.35 -0.95 0.00 0.00 178.83 175.86 2hmx h PRO 67 N -0.50 -0.31 0.00 1.46 0.11 -1.74 -2.17 132.00 128.85 2hmx h PRO 67 Ca -0.03 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2hmx h PRO 67 Cb 0.42 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2hmx h PRO 67 CO 0.04 -0.21 -0.01 1.03 -0.21 0.00 0.00 178.00 178.64 2hmx h SER 68 N -0.32 0.00 0.18 -2.05 0.87 0.37 -1.38 113.55 111.22 2hmx h SER 68 Ca 0.14 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 2hmx h SER 68 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2hmx h SER 68 CO -0.50 0.01 -0.50 -0.07 -0.53 0.00 0.00 176.83 175.23 2hmx h LEU 69 N 0.00 0.40 -1.41 2.23 3.38 0.13 0.84 115.31 120.88 2hmx h LEU 69 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2hmx h LEU 69 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2hmx h LEU 69 CO 0.00 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.37 2hmx n GLN 70 N -3.96 0.14 -0.62 1.13 10.64 -0.52 -1.98 117.38 122.21 2hmx n GLN 70 Ca -0.02 0.64 -0.00 0.00 -1.83 0.00 0.00 57.00 55.78 2hmx n GLN 70 Cb 0.56 -1.95 -0.01 0.00 -0.86 0.00 0.00 30.24 27.98 2hmx n GLN 70 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2hmx n THR 71 N -2.25 0.00 0.00 -0.39 5.66 -0.72 -4.97 114.28 111.61 2hmx n THR 71 Ca -0.01 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2hmx n THR 71 Cb 0.04 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 2hmx n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hmx n GLY 72 N 0.03 -0.10 3.65 1.09 0.00 0.28 -5.06 105.19 105.09 2hmx n GLY 72 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2hmx n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hmx s SER 73 N -1.14 -0.01 0.51 1.61 0.15 -1.25 -4.87 113.70 108.71 2hmx s SER 73 Ca 0.00 0.01 0.24 0.00 0.70 0.00 0.00 55.95 56.90 2hmx s SER 73 Cb 0.00 0.01 1.40 0.00 -1.71 0.00 0.00 66.02 65.72 2hmx s SER 73 CO 0.00 -0.00 2.08 -0.08 1.20 0.00 0.00 173.24 176.44 2hmx h GLU 74 N 2.79 0.00 0.00 5.44 4.57 -1.99 -0.12 114.58 125.27 2hmx h GLU 74 Ca -0.23 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 2hmx h GLU 74 Cb 1.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2hmx h GLU 74 CO 0.19 0.12 -0.16 1.49 -1.18 0.00 0.00 179.01 179.47 2hmx h GLU 75 N 0.00 0.00 -0.54 1.92 4.81 -1.99 0.55 114.58 119.32 2hmx h GLU 75 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2hmx h GLU 75 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2hmx h GLU 75 CO 0.02 0.16 0.04 1.25 -0.73 0.00 0.00 179.01 179.75 2hmx h LEU 76 N 0.00 0.85 -1.63 1.64 6.46 -1.40 -1.35 115.31 119.89 2hmx h LEU 76 Ca -0.00 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2hmx h LEU 76 Cb 0.86 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2hmx h LEU 76 CO 0.02 0.89 0.04 -0.09 -0.62 0.00 0.00 178.44 178.68 2hmx h ARG 77 N 0.84 0.28 -0.02 1.25 2.43 0.12 0.98 114.38 120.25 2hmx h ARG 77 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2hmx h ARG 77 Cb 0.44 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2hmx h ARG 77 CO 0.02 0.27 -0.00 1.03 -1.51 0.00 0.00 179.97 179.77 2hmx h SER 78 N 0.28 0.04 -0.02 -3.80 0.87 -1.07 -1.86 113.55 107.98 2hmx h SER 78 Ca 0.07 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2hmx h SER 78 Cb 0.12 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2hmx h SER 78 CO -0.00 0.38 0.06 -0.07 -0.53 0.00 0.00 176.83 176.67 2hmx h LEU 79 N -0.30 0.00 0.06 2.23 -0.00 0.18 -0.72 115.31 116.75 2hmx h LEU 79 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.58 2hmx h LEU 79 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2hmx h LEU 79 CO 0.00 0.00 -1.71 0.22 -0.00 0.00 0.00 178.44 176.96 2hmx h TYR 80 N 0.00 0.21 -0.02 1.13 3.20 0.10 -1.96 116.97 119.63 2hmx h TYR 80 Ca 0.01 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.55 2hmx h TYR 80 Cb 0.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2hmx h TYR 80 CO 0.00 1.28 -0.77 -2.95 -1.64 0.00 0.00 178.16 174.08 2hmx h ASN 81 N 0.03 0.25 1.55 -2.11 7.08 -0.68 0.29 115.58 122.00 2hmx h ASN 81 Ca -0.30 -0.18 -0.09 0.00 -3.08 0.00 0.00 56.30 52.65 2hmx h ASN 81 Cb 2.01 -0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 38.16 2hmx h ASN 81 CO 0.10 0.93 -0.42 0.71 -2.08 0.00 0.00 177.43 176.67 2hmx h THR 82 N 0.13 0.72 0.19 6.14 1.35 -1.45 0.58 112.91 120.57 2hmx h THR 82 Ca -0.03 -2.00 -0.25 0.00 -0.55 0.00 0.00 66.41 63.59 2hmx h THR 82 Cb 1.35 2.34 0.03 0.00 -1.73 0.00 0.00 68.15 70.13 2hmx h THR 82 CO 0.12 0.41 -1.10 0.40 -0.25 0.00 0.00 175.52 175.10 2hmx h ILE 83 N 0.00 1.41 -0.22 6.82 1.08 -0.94 0.57 117.51 126.23 2hmx h ILE 83 Ca -0.00 -2.60 -0.10 0.00 -0.39 0.00 0.00 64.86 61.77 2hmx h ILE 83 Cb 1.31 3.13 -0.01 0.00 -3.07 0.00 0.00 36.82 38.17 2hmx h ILE 83 CO 0.05 0.76 -0.29 0.00 -0.69 0.00 0.00 178.15 177.98 2hmx h ALA 84 N 0.11 1.10 0.77 1.87 0.00 0.09 0.54 119.26 123.73 2hmx h ALA 84 Ca -0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2hmx h ALA 84 Cb 1.86 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2hmx h ALA 84 CO 0.20 0.56 -0.37 0.28 0.00 0.00 0.00 179.25 179.92 2hmx h VAL 85 N 0.38 0.00 0.00 0.00 2.07 0.23 -2.19 116.25 116.74 2hmx h VAL 85 Ca 0.05 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2hmx h VAL 85 Cb 0.70 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2hmx h VAL 85 CO 0.05 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.82 2hmx h LEU 86 N -1.07 0.00 0.41 2.57 5.85 0.13 0.97 115.31 124.17 2hmx h LEU 86 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2hmx h LEU 86 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2hmx h LEU 86 CO 0.17 0.07 -0.20 0.22 -0.34 0.00 0.00 178.44 178.36 2hmx h TYR 87 N 0.00 -0.51 0.00 1.25 5.03 0.10 0.20 116.97 123.04 2hmx h TYR 87 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2hmx h TYR 87 Cb 0.39 0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.84 2hmx h TYR 87 CO 0.00 -0.29 -0.56 0.00 -1.32 0.00 0.00 178.16 175.99 2hmx h VAL 89 N 0.00 0.28 -0.25 0.00 2.07 0.54 0.59 116.25 119.49 2hmx h VAL 89 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2hmx h VAL 89 Cb 0.99 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2hmx h VAL 89 CO 0.00 0.00 -0.03 0.45 0.02 0.00 0.00 177.57 178.01 2hmx h HIS 90 N -0.95 0.39 0.40 1.57 3.86 0.07 -0.33 115.15 120.16 2hmx h HIS 90 Ca -0.09 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 2hmx h HIS 90 Cb 0.74 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2hmx h HIS 90 CO -0.05 0.42 -0.19 0.37 0.86 0.00 0.00 177.93 179.34 2hmx h GLN 91 N 0.37 -0.51 0.00 2.45 -0.00 -0.98 -3.45 115.11 112.98 2hmx h GLN 91 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2hmx h GLN 91 Cb 0.30 0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.89 2hmx h GLN 91 CO 0.01 -0.34 0.00 -2.13 0.00 0.00 0.00 178.83 176.37 2hmx n ARG 92 N -3.60 0.00 -1.72 1.69 0.00 -0.13 -5.10 116.66 107.80 2hmx n ARG 92 Ca -0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.40 2hmx n ARG 92 Cb 0.21 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.72 2hmx n ARG 92 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2hmx n ILE 93 N 0.00 4.09 -4.16 5.15 -0.00 0.20 -4.92 119.36 119.73 2hmx n ILE 93 Ca 0.00 -0.50 -0.14 0.00 -0.00 0.00 0.00 62.75 62.11 2hmx n ILE 93 Cb 0.00 -1.53 -0.11 0.00 -0.00 0.00 0.00 39.64 38.01 2hmx n ILE 93 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 2hmx s ASP 94 N -1.08 1.38 0.44 4.38 1.47 -1.26 -2.44 116.67 119.55 2hmx s ASP 94 Ca 0.75 -0.76 0.03 0.00 1.18 0.00 0.00 52.55 53.75 2hmx s ASP 94 Cb -0.41 0.01 -0.03 0.00 -0.34 0.00 0.00 42.92 42.15 2hmx s ASP 94 CO 0.47 -0.24 0.07 0.68 0.68 0.00 0.00 175.17 176.82 2hmx s VAL 95 N -2.19 0.96 0.00 2.11 -7.23 -1.26 -5.04 120.40 107.74 2hmx s VAL 95 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2hmx s VAL 95 Cb -0.04 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2hmx s VAL 95 CO 0.00 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 175.96 2hmx n LYS 96 N -1.02 0.00 -3.67 4.82 4.81 -1.26 -4.95 118.16 116.90 2hmx n LYS 96 Ca -0.10 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.13 2hmx n LYS 96 Cb 0.66 -0.08 -0.03 0.00 0.02 0.00 0.00 35.03 35.59 2hmx n LYS 96 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2hmx s ASP 97 N -2.65 5.16 0.00 3.14 1.47 -1.26 0.59 116.67 123.12 2hmx s ASP 97 Ca 0.00 -0.63 0.24 0.00 1.18 0.00 0.00 52.55 53.34 2hmx s ASP 97 Cb 0.00 -0.75 0.31 0.00 -0.34 0.00 0.00 42.92 42.14 2hmx s ASP 97 CO 0.00 -0.52 1.29 0.41 0.68 0.00 0.00 175.17 177.03 2hmx n THR 98 N -1.47 0.00 0.08 2.11 -1.04 -0.68 -1.14 114.28 112.14 2hmx n THR 98 Ca 0.01 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 2hmx n THR 98 Cb 0.61 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 70.08 2hmx n THR 98 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2hmx h LYS 99 N 2.23 0.23 0.00 -2.82 6.56 -1.85 -2.34 116.57 118.57 2hmx h LYS 99 Ca 0.00 -0.23 -0.06 0.00 -1.06 0.00 0.00 60.65 59.30 2hmx h LYS 99 Cb 0.68 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 2hmx h LYS 99 CO 0.00 0.95 -0.81 1.49 -2.06 0.00 0.00 179.45 179.02 2hmx h GLU 100 N 0.13 0.00 0.01 3.15 4.81 -1.64 -1.61 114.58 119.43 2hmx h GLU 100 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2hmx h GLU 100 Cb 1.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2hmx h GLU 100 CO 0.13 0.15 -0.00 0.00 -0.73 0.00 0.00 179.01 178.56 2hmx h ALA 101 N 1.78 -0.01 0.00 2.92 0.00 -1.23 -2.52 119.26 120.19 2hmx h ALA 101 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2hmx h ALA 101 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2hmx h ALA 101 CO 0.02 -0.18 0.00 1.25 0.00 0.00 0.00 179.25 180.34 2hmx h LEU 102 N -0.66 0.00 0.04 0.00 5.85 -0.82 0.98 115.31 120.70 2hmx h LEU 102 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hmx h LEU 102 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2hmx h LEU 102 CO 0.00 0.00 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.30 2hmx h ASP 103 N 0.00 -0.04 -0.00 1.25 3.58 -1.38 -2.44 116.42 117.38 2hmx h ASP 103 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hmx h ASP 103 Cb 0.09 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2hmx h ASP 103 CO 0.00 0.10 0.01 0.50 -2.88 0.00 0.00 179.24 176.96 2hmx h LYS 104 N -0.30 0.00 0.00 0.28 3.64 0.11 0.64 116.57 120.94 2hmx h LYS 104 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2hmx h LYS 104 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2hmx h LYS 104 CO 0.01 0.00 -0.02 0.82 -2.27 0.00 0.00 179.45 177.98 2hmx h ILE 105 N 0.00 1.64 0.00 2.00 5.03 0.15 0.81 117.51 127.14 2hmx h ILE 105 Ca 0.00 -1.91 -0.00 0.00 -0.12 0.00 0.00 64.86 62.83 2hmx h ILE 105 Cb 0.01 2.93 -0.00 0.00 -3.03 0.00 0.00 36.82 36.73 2hmx h ILE 105 CO -0.00 0.50 -0.00 -0.08 -0.68 0.00 0.00 178.15 177.89 2hmx h GLU 106 N -0.78 0.00 0.00 2.37 4.81 -0.28 0.92 114.58 121.62 2hmx h GLU 106 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2hmx h GLU 106 Cb 0.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2hmx h GLU 106 CO 0.00 0.00 -1.66 -1.91 -0.73 0.00 0.00 179.01 174.72 2hmx n GLU 107 N -3.09 1.65 0.00 1.92 4.07 0.20 -1.74 120.64 123.65 2hmx n GLU 107 Ca -0.01 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2hmx n GLU 107 Cb 0.19 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 2hmx n GLU 107 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2hmx n GLU 108 N -2.23 0.74 0.11 5.31 4.07 0.28 -4.47 120.64 124.44 2hmx n GLU 108 Ca -0.12 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.10 2hmx n GLU 108 Cb 0.67 -0.75 0.45 0.00 -0.06 0.00 0.00 31.44 31.75 2hmx n GLU 108 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2hmx n GLN 109 N -1.73 0.21 -2.39 5.31 -0.06 0.13 -4.99 117.38 113.86 2hmx n GLN 109 Ca 0.00 0.31 -0.01 0.00 -2.00 0.00 0.00 57.00 55.30 2hmx n GLN 109 Cb 0.25 -1.81 -0.00 0.00 -4.06 0.00 0.00 30.24 24.62 2hmx n GLN 109 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2hmx n ASN 110 N -2.18 -8.54 -3.25 1.69 2.85 0.27 -4.91 115.26 101.19 2hmx n ASN 110 Ca 0.04 1.82 0.03 0.00 -0.11 0.00 0.00 54.58 56.36 2hmx n ASN 110 Cb 0.32 -5.19 -0.04 0.00 1.24 0.00 0.00 39.78 36.12 2hmx n ASN 110 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2hmx s LYS 111 N -0.60 0.13 -0.27 1.20 -2.85 -0.71 -4.92 119.74 111.73 2hmx s LYS 111 Ca -0.03 0.33 -0.27 0.00 -1.00 0.00 0.00 55.97 55.00 2hmx s LYS 111 Cb 0.00 0.20 0.16 0.00 -2.06 0.00 0.00 37.83 36.13 2hmx s LYS 111 CO 0.08 -0.06 1.22 0.45 0.10 0.00 0.00 175.35 177.15 2hmx s SER 112 N 2.28 -0.23 0.00 0.03 0.15 -1.26 -4.78 113.70 109.89 2hmx s SER 112 Ca -0.01 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2hmx s SER 112 Cb -0.03 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2hmx s SER 112 CO -0.16 -0.12 0.00 1.17 1.20 0.00 0.00 173.24 175.33 2hmx n LYS 113 N 1.43 0.00 -0.32 5.44 0.00 -1.26 -5.16 118.16 118.29 2hmx n LYS 113 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.91 2hmx n LYS 113 Cb 0.57 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.90 2hmx n LYS 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hmx s LYS 114 N -0.02 -3.27 1.33 1.64 2.36 -1.26 -4.95 119.74 115.58 2hmx s LYS 114 Ca 0.00 0.07 -0.19 0.00 -2.55 0.00 0.00 55.97 53.30 2hmx s LYS 114 Cb 0.00 -1.34 0.34 0.00 -1.05 0.00 0.00 37.83 35.78 2hmx s LYS 114 CO 0.00 -5.08 0.96 0.21 1.55 0.00 0.00 175.35 172.99 2hmx s LYS 115 N -5.13 -2.21 0.00 4.03 2.20 -1.26 -5.04 119.74 112.33 2hmx s LYS 115 Ca 0.68 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 2hmx s LYS 115 Cb -0.12 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.76 2hmx s LYS 115 CO 0.57 -4.47 0.00 0.00 -0.36 0.00 0.00 175.35 171.09 2hmx n ALA 116 N -5.39 0.00 0.01 3.13 0.00 -1.26 -5.11 120.51 111.90 2hmx n ALA 116 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2hmx n ALA 116 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 2hmx n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx n GLN 117 N -0.26 0.05 -4.51 0.00 10.64 -1.26 -5.13 117.38 116.91 2hmx n GLN 117 Ca 0.00 0.02 -0.24 0.00 -1.83 0.00 0.00 57.00 54.95 2hmx n GLN 117 Cb 0.00 -0.42 -0.10 0.00 -0.86 0.00 0.00 30.24 28.86 2hmx n GLN 117 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2hmx s GLN 118 N -1.66 1.78 0.22 2.61 -2.07 -1.26 -5.07 119.66 114.20 2hmx s GLN 118 Ca -0.03 -2.01 0.00 0.00 -1.82 0.00 0.00 55.36 51.50 2hmx s GLN 118 Cb 0.00 -1.07 0.00 0.00 -1.09 0.00 0.00 33.01 30.86 2hmx s GLN 118 CO 0.04 -0.19 0.00 0.00 -1.32 0.00 0.00 175.29 173.83 2hmx n ALA 119 N -0.80 2.57 -3.00 2.60 0.00 -1.26 -5.16 120.51 115.46 2hmx n ALA 119 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2hmx n ALA 119 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2hmx n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx n ALA 120 N -3.17 0.00 -1.38 0.00 0.00 -1.26 -5.16 120.51 109.54 2hmx n ALA 120 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2hmx n ALA 120 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 2hmx n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx s ALA 121 N -1.41 1.92 0.74 0.00 0.00 -1.26 -5.08 121.76 116.67 2hmx s ALA 121 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 2hmx s ALA 121 Cb 0.00 -3.15 0.13 0.00 0.00 0.00 0.00 23.12 20.10 2hmx s ALA 121 CO 0.00 -2.02 1.01 0.16 0.00 0.00 0.00 175.76 174.91 2hmx s ASP 122 N -3.66 4.27 0.00 0.00 1.47 -1.26 -5.11 116.67 112.38 2hmx s ASP 122 Ca 0.62 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.03 2hmx s ASP 122 Cb -0.16 -0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.38 2hmx s ASP 122 CO 0.56 -1.91 0.00 1.07 0.68 0.00 0.00 175.17 175.56 2hmx n THR 123 N -2.89 0.00 -2.03 2.11 5.66 -1.26 -5.05 114.28 110.81 2hmx n THR 123 Ca 0.15 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2hmx n THR 123 Cb 0.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.38 2hmx n THR 123 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hmx n GLY 124 N -0.03 0.79 1.81 1.09 0.00 -1.26 -5.10 105.19 102.49 2hmx n GLY 124 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2hmx n GLY 124 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hmx n ASN 125 N 0.03 -6.69 0.00 1.61 3.02 -1.26 -5.08 115.26 106.90 2hmx n ASN 125 Ca -0.02 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 2hmx n ASN 125 Cb 0.63 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 2hmx n ASN 125 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2hmx n ASN 126 N 1.14 0.00 0.00 6.41 6.94 -1.26 -5.02 115.26 123.47 2hmx n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2hmx n ASN 126 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2hmx n ASN 126 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2hmx n SER 127 N 0.00 0.00 0.00 0.53 7.64 -1.26 -4.27 113.62 116.26 2hmx n SER 127 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2hmx n SER 127 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2hmx n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hmx n GLN 128 N 0.00 0.00 0.00 1.43 3.00 -1.26 -5.12 117.38 115.43 2hmx n GLN 128 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hmx n GLN 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2hmx n GLN 128 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2hmx n VAL 129 N -0.39 0.00 0.00 5.09 0.24 -1.26 -5.05 118.33 116.96 2hmx n VAL 129 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hmx n VAL 129 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hmx n VAL 129 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2hmx n SER 130 N -2.16 0.00 -0.37 -1.34 2.88 -1.26 -4.93 113.62 106.44 2hmx n SER 130 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2hmx n SER 130 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2hmx n SER 130 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2hmx n GLN 131 N -0.06 -0.89 0.00 -1.46 -0.06 -1.26 -4.86 117.38 108.79 2hmx n GLN 131 Ca 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 2hmx n GLN 131 Cb 0.00 -4.38 0.00 0.00 -4.06 0.00 0.00 30.24 21.80 2hmx n GLN 131 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2hmx n ASN 132 N -0.15 -5.25 0.00 1.69 0.23 -1.26 -5.32 115.26 105.20 2hmx n ASN 132 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2hmx n ASN 132 Cb 0.30 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2hmx n ASN 132 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33