#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 -1.47 -0.47 -1.40 -0.00 -1.26 -4.91 117.12 107.61 2hmx n MET 2 Ca 0.00 1.09 -0.30 0.00 -0.00 0.00 0.00 57.70 58.49 2hmx n MET 2 Cb 0.00 -5.48 0.27 0.00 -0.00 0.00 0.00 33.22 28.01 2hmx n MET 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2hmx s GLY 3 N -2.52 1.46 -0.21 3.17 0.00 -1.26 -5.02 107.32 102.94 2hmx s GLY 3 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 44.72 43.95 2hmx s GLY 3 CO 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 173.10 173.24 2hmx n ALA 4 N -5.37 0.86 0.00 3.20 0.00 -1.26 -4.93 120.51 113.01 2hmx n ALA 4 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2hmx n ALA 4 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2hmx n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hmx n ARG 5 N -4.42 0.00 0.00 0.00 1.74 -1.26 -4.90 116.66 107.82 2hmx n ARG 5 Ca -0.30 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2hmx n ARG 5 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 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 0.00 0.00 -2.00 7.54 0.00 -1.26 -4.83 120.51 119.96 2hmx n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hmx n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.75 0.00 -0.10 0.00 7.64 -1.26 -4.99 113.62 112.16 2hmx n SER 7 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2hmx n SER 7 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2hmx n SER 7 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2hmx n VAL 8 N 0.00 1.49 -4.00 0.44 0.31 -1.26 -4.91 118.33 110.39 2hmx n VAL 8 Ca 0.00 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 2hmx n VAL 8 Cb 0.00 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 30.71 2hmx n VAL 8 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2hmx n LEU 9 N -4.38 0.00 0.00 7.52 4.77 -1.26 -4.94 117.00 118.71 2hmx n LEU 9 Ca -0.24 -0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 55.33 2hmx n LEU 9 Cb 0.60 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2hmx n LEU 9 CO 0.16 -0.10 -0.01 -1.54 -1.33 0.00 0.00 177.39 174.57 2hmx n SER 10 N -1.20 0.72 0.43 -1.43 3.41 -1.26 -4.88 113.62 109.41 2hmx n SER 10 Ca -0.02 -1.21 -0.17 0.00 -0.26 0.00 0.00 58.87 57.21 2hmx n SER 10 Cb 0.08 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 2hmx n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2hmx h GLY 11 N 0.16 -1.14 1.73 5.00 0.00 -2.02 0.58 103.07 107.38 2hmx h GLY 11 Ca -0.03 0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.60 2hmx h GLY 11 CO 0.04 -0.42 -0.51 -1.33 0.00 0.00 0.00 176.54 174.33 2hmx h GLY 12 N -1.17 0.31 1.23 4.60 0.00 -1.98 -2.47 103.07 103.59 2hmx h GLY 12 Ca -0.11 -0.34 -0.30 0.00 0.00 0.00 0.00 47.33 46.58 2hmx h GLY 12 CO 0.18 0.31 -1.22 0.83 0.00 0.00 0.00 176.54 176.64 2hmx h GLU 13 N 0.23 0.65 0.75 4.80 5.08 -1.77 0.23 114.58 124.55 2hmx h GLU 13 Ca 0.01 -0.83 -0.04 0.00 -1.00 0.00 0.00 59.36 57.50 2hmx h GLU 13 Cb 0.97 0.27 0.01 0.00 0.50 0.00 0.00 28.75 30.50 2hmx h GLU 13 CO 0.08 1.38 -0.36 1.25 -1.00 0.00 0.00 179.01 180.36 2hmx h LEU 14 N 0.30 -0.86 -2.49 1.33 7.12 0.10 0.56 115.31 121.38 2hmx h LEU 14 Ca -0.18 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 2hmx h LEU 14 Cb 1.89 0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 42.24 2hmx h LEU 14 CO 0.23 -0.58 -0.02 0.44 -0.13 0.00 0.00 178.44 178.38 2hmx h ASP 15 N -1.06 0.00 -0.03 1.25 3.32 -1.37 0.82 116.42 119.34 2hmx h ASP 15 Ca -0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2hmx h ASP 15 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2hmx h ASP 15 CO 0.17 0.02 -0.11 0.50 -1.72 0.00 0.00 179.24 178.09 2hmx h LYS 16 N 0.00 0.12 0.00 3.56 3.11 -0.47 -3.34 116.57 119.56 2hmx h LYS 16 Ca -0.00 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2hmx h LYS 16 Cb 0.06 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 2hmx h LYS 16 CO 0.00 0.75 0.00 2.35 -2.81 0.00 0.00 179.45 179.74 2hmx h TRP 17 N -0.47 0.00 -0.68 1.91 2.91 0.62 -3.08 115.95 117.16 2hmx h TRP 17 Ca -0.01 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.70 2hmx h TRP 17 Cb 0.77 0.00 -0.19 0.00 -0.51 0.00 0.00 29.16 29.23 2hmx h TRP 17 CO 0.15 0.00 0.40 -1.91 -1.03 0.00 0.00 178.44 176.05 2hmx n GLU 18 N -2.39 2.22 0.00 2.65 0.00 -0.61 -3.99 120.64 118.52 2hmx n GLU 18 Ca -0.02 -2.20 0.00 0.00 0.00 0.00 0.00 57.16 54.94 2hmx n GLU 18 Cb 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 29.59 2hmx n GLU 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2hmx n LYS 19 N -0.51 0.00 -3.36 5.31 5.02 -0.77 -4.79 118.16 119.05 2hmx n LYS 19 Ca 0.40 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.25 2hmx n LYS 19 Cb 1.29 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 36.22 2hmx n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hmx s ILE 20 N 0.00 5.19 -0.15 -0.18 1.01 -0.85 -4.73 121.20 121.49 2hmx s ILE 20 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 2hmx s ILE 20 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2hmx s ILE 20 CO 0.00 -0.59 2.02 -0.13 0.00 0.00 0.00 174.94 176.24 2hmx s ARG 21 N 1.77 3.55 0.33 2.79 0.52 0.20 0.61 118.95 128.71 2hmx s ARG 21 Ca 0.05 2.11 0.23 0.00 -0.52 0.00 0.00 55.73 57.60 2hmx s ARG 21 Cb -0.23 -4.25 1.19 0.00 0.52 0.00 0.00 34.95 32.18 2hmx s ARG 21 CO 0.08 -1.62 1.71 -0.07 0.02 0.00 0.00 175.30 175.41 2hmx h LEU 22 N 13.13 0.00 -7.06 2.53 3.38 -1.39 0.23 115.31 126.13 2hmx h LEU 22 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2hmx h LEU 22 Cb 1.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 2hmx h LEU 22 CO 0.97 0.00 0.12 0.00 0.09 0.00 0.00 178.44 179.62 2hmx s ARG 23 N -3.53 0.96 -0.66 1.13 3.03 -1.26 -4.26 118.95 114.35 2hmx s ARG 23 Ca -0.01 0.39 -0.26 0.00 2.03 0.00 0.00 55.73 57.88 2hmx s ARG 23 Cb 0.07 0.45 -0.12 0.00 -1.03 0.00 0.00 34.95 34.32 2hmx s ARG 23 CO 0.25 -0.26 2.43 -0.35 -1.13 0.00 0.00 175.30 176.24 2hmx n PRO 24 N 1.39 0.73 -1.32 3.89 -0.04 -1.26 -0.63 135.00 137.77 2hmx n PRO 24 Ca -0.18 -0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 62.98 2hmx n PRO 24 Cb 0.56 -3.23 -0.01 0.00 -0.04 0.00 0.00 33.50 30.79 2hmx n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hmx n GLY 25 N 6.29 0.47 0.00 0.55 0.00 -1.26 -4.98 105.19 106.26 2hmx n GLY 25 Ca 0.45 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.29 -2.61 0.00 -0.02 0.00 0.20 -4.99 105.19 95.48 2hmx n GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hmx n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hmx n LYS 27 N -0.21 0.00 -2.73 1.61 -0.00 -1.26 -5.05 118.16 110.51 2hmx n LYS 27 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2hmx n LYS 27 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 2hmx n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hmx n LYS 28 N 0.00 0.19 -3.32 -1.58 4.76 -1.26 -5.07 118.16 111.87 2hmx n LYS 28 Ca 0.00 -1.09 -0.11 0.00 -2.87 0.00 0.00 58.31 54.24 2hmx n LYS 28 Cb 0.00 0.87 -0.03 0.00 -1.84 0.00 0.00 35.03 34.03 2hmx n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hmx n GLN 29 N -0.21 0.46 -2.91 1.97 0.00 -1.26 -1.18 117.38 114.24 2hmx n GLN 29 Ca 0.02 -2.04 -0.32 0.00 0.00 0.00 0.00 57.00 54.66 2hmx n GLN 29 Cb 0.20 1.91 -0.06 0.00 0.00 0.00 0.00 30.24 32.29 2hmx n GLN 29 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2hmx s TYR 30 N -3.42 3.38 0.13 2.61 1.51 0.20 -4.56 117.35 117.20 2hmx s TYR 30 Ca 0.22 1.32 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 2hmx s TYR 30 Cb -0.00 -2.63 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 2hmx s TYR 30 CO 0.16 -0.05 0.05 1.63 -1.11 0.00 0.00 175.55 176.23 2hmx n LYS 31 N -0.75 0.74 -0.01 -0.62 5.02 -1.26 -1.84 118.16 119.43 2hmx n LYS 31 Ca 0.05 -1.12 0.06 0.00 -2.02 0.00 0.00 58.31 55.27 2hmx n LYS 31 Cb 0.54 0.65 -0.12 0.00 -0.02 0.00 0.00 35.03 36.08 2hmx n LYS 31 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2hmx n LEU 32 N 0.00 0.00 0.08 -0.35 7.94 -1.26 0.59 117.00 124.00 2hmx n LEU 32 Ca -0.01 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.96 2hmx n LEU 32 Cb 0.20 0.04 0.37 0.00 0.53 0.00 0.00 43.42 44.56 2hmx n LEU 32 CO 0.10 0.04 0.74 1.17 -1.11 0.00 0.00 177.39 178.34 2hmx n LYS 33 N -2.09 0.09 -0.00 1.96 4.81 -1.26 -1.95 118.16 119.72 2hmx n LYS 33 Ca -0.05 0.47 0.06 0.00 -0.87 0.00 0.00 58.31 57.92 2hmx n LYS 33 Cb 0.46 -1.73 -0.09 0.00 0.02 0.00 0.00 35.03 33.69 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 -1.92 0.00 -0.18 5.64 -0.00 -0.97 -1.95 115.22 115.84 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 0.11 -0.25 0.01 0.00 -0.12 0.00 0.00 29.99 29.74 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 1.20 -0.33 3.57 2.10 0.21 -0.84 117.51 123.43 2hmx h ILE 35 Ca 0.00 -0.59 -0.07 0.00 1.08 0.00 0.00 64.86 65.28 2hmx h ILE 35 Cb 0.54 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 36.90 2hmx h ILE 35 CO 0.00 0.23 -0.09 0.58 -1.08 0.00 0.00 178.15 177.79 2hmx h VAL 36 N 0.68 1.23 0.38 2.19 2.07 -1.10 0.60 116.25 122.30 2hmx h VAL 36 Ca 0.17 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2hmx h VAL 36 Cb 0.15 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2hmx h VAL 36 CO -0.02 0.33 -0.24 -0.25 0.02 0.00 0.00 177.57 177.41 2hmx h TRP 37 N 0.52 -0.63 0.27 1.57 7.01 -1.36 -1.78 115.95 121.54 2hmx h TRP 37 Ca 0.10 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2hmx h TRP 37 Cb 0.47 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 2hmx h TRP 37 CO 0.02 -0.37 -0.13 0.00 -2.79 0.00 0.00 178.44 175.17 2hmx h ALA 38 N -0.01 -1.06 0.00 2.65 0.00 -0.03 0.18 119.26 120.98 2hmx h ALA 38 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hmx h ALA 38 Cb 0.49 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hmx h ALA 38 CO 0.03 -1.04 0.03 0.77 0.00 0.00 0.00 179.25 179.04 2hmx h SER 39 N -0.37 0.00 0.03 0.00 0.02 0.10 -0.55 113.55 112.78 2hmx h SER 39 Ca -0.04 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.74 2hmx h SER 39 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2hmx h SER 39 CO 0.06 0.00 -0.92 -0.09 -1.14 0.00 0.00 176.83 174.74 2hmx h ARG 40 N 0.00 0.06 -0.17 3.45 2.43 -1.15 -2.00 114.38 117.01 2hmx h ARG 40 Ca 0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2hmx h ARG 40 Cb 0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2hmx h ARG 40 CO 0.00 1.05 0.07 1.49 -1.51 0.00 0.00 179.97 181.07 2hmx h GLU 41 N -0.82 0.23 0.13 0.20 4.57 -0.05 0.34 114.58 119.17 2hmx h GLU 41 Ca -0.23 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2hmx h GLU 41 Cb 1.33 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2hmx h GLU 41 CO -0.08 0.19 -0.06 1.25 -1.18 0.00 0.00 179.01 179.13 2hmx h LEU 42 N 0.23 -0.15 -2.89 1.64 5.85 -1.18 0.49 115.31 119.30 2hmx h LEU 42 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2hmx h LEU 42 Cb 0.05 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2hmx h LEU 42 CO -0.01 -0.10 0.03 -0.08 -0.34 0.00 0.00 178.44 177.94 2hmx h GLU 43 N -0.18 0.00 0.00 1.25 4.81 -0.47 0.80 114.58 120.79 2hmx h GLU 43 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2hmx h GLU 43 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2hmx h GLU 43 CO 0.03 0.00 -1.05 0.54 -0.73 0.00 0.00 179.01 177.79 2hmx n ARG 44 N -3.09 0.28 0.38 1.92 1.74 0.11 -1.26 116.66 116.74 2hmx n ARG 44 Ca -0.03 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.88 2hmx n ARG 44 Cb 0.10 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.00 2hmx n ARG 44 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2hmx h PHE 45 N 0.00 -0.91 0.00 -1.55 0.04 0.24 -3.46 116.94 111.31 2hmx h PHE 45 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2hmx h PHE 45 Cb 0.53 0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2hmx h PHE 45 CO 0.00 -0.57 0.00 0.00 -0.60 0.00 0.00 178.31 177.14 2hmx n ALA 46 N -2.54 0.35 -2.44 2.45 0.00 -0.84 -5.09 120.51 112.40 2hmx n ALA 46 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 2hmx n ALA 46 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 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 2.30 -0.13 0.00 1.01 -0.39 -5.00 120.40 118.18 2hmx s VAL 47 Ca 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 61.98 59.73 2hmx s VAL 47 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2hmx s VAL 47 CO 0.00 -0.28 0.13 0.21 0.00 0.00 0.00 175.10 175.16 2hmx s ASN 48 N -3.03 6.29 0.05 3.32 3.84 -1.26 -4.19 114.94 119.96 2hmx s ASN 48 Ca 0.24 0.40 -0.26 0.00 0.21 0.00 0.00 52.86 53.45 2hmx s ASN 48 Cb -0.06 -2.04 -0.17 0.00 -0.55 0.00 0.00 41.25 38.43 2hmx s ASN 48 CO 0.11 0.36 1.55 1.55 -2.79 0.00 0.00 177.10 177.88 2hmx h PRO 49 N 5.32 -0.31 0.00 0.43 0.13 -1.91 -2.43 132.00 133.23 2hmx h PRO 49 Ca -0.52 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2hmx h PRO 49 Cb 1.21 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hmx h PRO 49 CO 0.61 -0.11 -0.04 0.78 -0.23 0.00 0.00 178.00 179.01 2hmx h GLY 50 N -0.46 0.00 1.01 1.56 0.00 -1.96 0.61 103.07 103.83 2hmx h GLY 50 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2hmx h GLY 50 CO 0.05 0.00 0.52 -2.00 0.00 0.00 0.00 176.54 175.11 2hmx h LEU 51 N 0.00 1.03 0.00 3.11 6.46 -1.87 -2.32 115.31 121.72 2hmx h LEU 51 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2hmx h LEU 51 Cb 0.11 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2hmx h LEU 51 CO 0.01 0.80 -1.06 -0.11 -0.62 0.00 0.00 178.44 177.45 2hmx n LEU 52 N -4.42 0.61 -0.00 2.25 -0.00 -0.71 -2.50 117.00 112.23 2hmx n LEU 52 Ca 0.09 -0.05 0.03 0.00 -0.00 0.00 0.00 56.01 56.08 2hmx n LEU 52 Cb 0.06 -0.09 0.40 0.00 -0.00 0.00 0.00 43.42 43.79 2hmx n LEU 52 CO 0.38 0.06 1.12 -0.08 -0.00 0.00 0.00 177.39 178.87 2hmx h GLU 53 N 0.00 0.54 -6.50 1.96 4.57 0.71 -3.38 114.58 112.48 2hmx h GLU 53 Ca 0.00 -0.05 -0.50 0.00 -1.18 0.00 0.00 59.36 57.64 2hmx h GLU 53 Cb 0.72 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2hmx h GLU 53 CO 0.00 0.39 -0.18 0.95 -1.18 0.00 0.00 179.01 179.00 2hmx s THR 54 N -5.40 5.08 0.27 0.32 -4.23 -0.96 -4.92 115.64 105.80 2hmx s THR 54 Ca -0.08 -0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2hmx s THR 54 Cb 0.17 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.47 2hmx s THR 54 CO 0.74 -0.45 1.84 0.77 -0.54 0.00 0.00 174.62 176.97 2hmx h SER 55 N 1.18 0.88 -0.15 3.99 4.64 -1.83 -0.81 113.55 121.44 2hmx h SER 55 Ca -0.49 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2hmx h SER 55 Cb 1.21 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2hmx h SER 55 CO 0.64 0.49 0.05 -0.08 -0.87 0.00 0.00 176.83 177.06 2hmx h GLU 56 N 0.97 0.23 0.00 4.77 4.81 -1.93 0.64 114.58 124.08 2hmx h GLU 56 Ca 0.46 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.56 2hmx h GLU 56 Cb 0.39 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2hmx h GLU 56 CO -0.24 0.34 -0.43 0.78 -0.73 0.00 0.00 179.01 178.73 2hmx h GLY 57 N 0.07 0.00 2.00 1.92 0.00 -1.38 0.39 103.07 106.07 2hmx h GLY 57 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2hmx h GLY 57 CO -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 2hmx h ARG 59 N 0.00 0.19 0.00 0.00 1.12 0.40 0.57 114.38 116.67 2hmx h ARG 59 Ca -0.00 -0.32 -0.02 0.00 -1.11 0.00 0.00 59.98 58.52 2hmx h ARG 59 Cb 0.40 0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2hmx h ARG 59 CO 0.02 1.02 -0.10 0.37 -3.11 0.00 0.00 179.97 178.17 2hmx h GLN 60 N 0.05 0.00 0.00 0.20 5.75 0.12 -1.73 115.11 119.50 2hmx h GLN 60 Ca -0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2hmx h GLN 60 Cb 1.99 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.54 2hmx h GLN 60 CO 0.14 0.10 -0.24 0.82 -2.65 0.00 0.00 178.83 177.00 2hmx h ILE 61 N 0.00 0.00 0.00 2.39 1.08 -0.25 -2.47 117.51 118.26 2hmx h ILE 61 Ca -0.00 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2hmx h ILE 61 Cb 0.25 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2hmx h ILE 61 CO 0.01 0.00 0.00 0.25 -0.69 0.00 0.00 178.15 177.72 2hmx h LEU 62 N -0.81 0.00 0.00 1.44 5.85 0.12 0.99 115.31 122.90 2hmx h LEU 62 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hmx h LEU 62 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2hmx h LEU 62 CO 0.00 0.00 -0.00 1.23 -0.34 0.00 0.00 178.44 179.33 2hmx h GLY 63 N 0.12 -0.00 2.00 3.75 0.00 -1.42 -2.45 103.07 105.06 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 -0.00 0.12 -3.25 115.11 115.78 2hmx h GLN 64 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 2hmx h GLN 64 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.43 2hmx h GLN 64 CO 0.00 0.00 -2.22 -0.11 0.00 0.00 0.00 178.83 176.50 2hmx n LEU 65 N -2.83 0.62 0.21 -2.39 7.94 0.21 -2.87 117.00 117.89 2hmx n LEU 65 Ca -0.02 -0.03 -0.15 0.00 -1.11 0.00 0.00 56.01 54.70 2hmx n LEU 65 Cb 0.08 0.18 -0.08 0.00 0.53 0.00 0.00 43.42 44.12 2hmx n LEU 65 CO 0.17 0.53 0.72 1.56 -1.11 0.00 0.00 177.39 179.26 2hmx h GLN 66 N 0.00 -0.46 -0.37 1.96 4.20 -1.47 0.94 115.11 119.91 2hmx h GLN 66 Ca -0.48 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.34 2hmx h GLN 66 Cb 2.02 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 29.82 2hmx h GLN 66 CO 0.00 -0.28 -0.21 -1.35 -0.67 0.00 0.00 178.83 176.32 2hmx h PRO 67 N -0.53 -0.15 0.00 1.46 0.11 -1.78 -2.09 132.00 129.02 2hmx h PRO 67 Ca -0.05 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2hmx h PRO 67 Cb 0.40 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2hmx h PRO 67 CO 0.08 -0.10 0.00 0.45 -0.21 0.00 0.00 178.00 178.22 2hmx n SER 68 N -5.38 0.00 0.04 -2.05 2.88 0.16 -1.55 113.62 107.72 2hmx n SER 68 Ca 0.02 0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 2hmx n SER 68 Cb 0.29 -0.39 0.02 0.00 -0.75 0.00 0.00 64.21 63.38 2hmx n SER 68 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2hmx h LEU 69 N 0.00 0.54 -1.00 2.46 3.38 0.14 0.84 115.31 121.66 2hmx h LEU 69 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2hmx h LEU 69 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hmx h LEU 69 CO 0.00 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.63 2hmx n GLN 70 N -3.85 0.13 -0.00 1.13 10.64 -0.60 -1.79 117.38 123.04 2hmx n GLN 70 Ca -0.05 0.55 0.01 0.00 -1.83 0.00 0.00 57.00 55.68 2hmx n GLN 70 Cb 0.71 -1.86 -0.01 0.00 -0.86 0.00 0.00 30.24 28.21 2hmx n GLN 70 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2hmx n THR 71 N -2.13 0.00 0.00 -0.39 -2.24 -0.45 -4.91 114.28 104.17 2hmx n THR 71 Ca -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2hmx n THR 71 Cb 0.09 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2hmx n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hmx n GLY 72 N 1.64 -0.33 3.56 3.38 0.00 0.28 -5.07 105.19 108.65 2hmx n GLY 72 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2hmx n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hmx s SER 73 N -1.75 -0.01 0.35 1.61 1.04 -1.21 -4.80 113.70 108.94 2hmx s SER 73 Ca 0.00 -0.02 0.24 0.00 0.48 0.00 0.00 55.95 56.66 2hmx s SER 73 Cb 0.00 0.02 1.27 0.00 0.10 0.00 0.00 66.02 67.41 2hmx s SER 73 CO 0.00 -0.04 1.74 -0.08 0.98 0.00 0.00 173.24 175.84 2hmx h GLU 74 N 2.00 0.00 0.00 4.02 4.22 -1.99 0.19 114.58 123.03 2hmx h GLU 74 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2hmx h GLU 74 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2hmx h GLU 74 CO 0.30 0.00 -0.85 0.39 -2.18 0.00 0.00 179.01 176.67 2hmx n GLU 75 N -2.35 0.25 0.08 1.92 1.02 -1.26 -1.10 120.64 119.20 2hmx n GLU 75 Ca -0.01 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2hmx n GLU 75 Cb 0.07 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.83 2hmx n GLU 75 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2hmx h LEU 76 N 0.00 0.00 -1.81 -4.62 6.46 -1.03 -2.47 115.31 111.84 2hmx h LEU 76 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2hmx h LEU 76 Cb 0.70 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2hmx h LEU 76 CO 0.00 0.87 -0.13 -0.09 -0.62 0.00 0.00 178.44 178.48 2hmx h ARG 77 N 0.00 0.00 0.23 1.25 2.43 0.60 0.58 114.38 119.47 2hmx h ARG 77 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2hmx h ARG 77 Cb 1.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2hmx h ARG 77 CO 0.11 0.13 -0.11 1.03 -1.51 0.00 0.00 179.97 179.62 2hmx h SER 78 N 0.00 -0.26 0.14 -3.80 0.87 -1.21 -1.34 113.55 107.94 2hmx h SER 78 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2hmx h SER 78 Cb 0.24 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2hmx h SER 78 CO 0.02 0.13 0.00 -0.07 -0.53 0.00 0.00 176.83 176.37 2hmx h LEU 79 N -0.70 0.00 0.17 2.23 4.07 -1.05 0.51 115.31 120.54 2hmx h LEU 79 Ca -0.03 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.58 2hmx h LEU 79 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2hmx h LEU 79 CO 0.05 0.00 -1.76 0.22 -1.08 0.00 0.00 178.44 175.88 2hmx h TYR 80 N 0.00 0.65 -0.23 1.13 3.20 0.37 -1.98 116.97 120.11 2hmx h TYR 80 Ca 0.00 -0.48 -0.08 0.00 3.14 0.00 0.00 58.73 61.31 2hmx h TYR 80 Cb 0.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2hmx h TYR 80 CO 0.00 1.65 -0.21 -2.95 -1.64 0.00 0.00 178.16 175.01 2hmx h ASN 81 N 0.10 0.41 1.47 -2.11 7.08 0.24 -0.43 115.58 122.34 2hmx h ASN 81 Ca -0.34 -0.12 -0.11 0.00 -3.08 0.00 0.00 56.30 52.65 2hmx h ASN 81 Cb 2.08 -0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 38.20 2hmx h ASN 81 CO 0.17 0.63 -0.53 0.71 -2.08 0.00 0.00 177.43 176.33 2hmx h THR 82 N 0.38 0.87 0.08 6.14 1.35 -1.35 -0.56 112.91 119.82 2hmx h THR 82 Ca 0.06 -2.23 -0.13 0.00 -0.55 0.00 0.00 66.41 63.56 2hmx h THR 82 Cb 0.58 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 69.43 2hmx h THR 82 CO 0.04 0.50 -0.58 0.40 -0.25 0.00 0.00 175.52 175.62 2hmx h ILE 83 N 0.00 1.55 -0.77 6.82 1.08 -1.23 0.58 117.51 125.53 2hmx h ILE 83 Ca -0.01 -2.43 -0.03 0.00 -0.39 0.00 0.00 64.86 62.00 2hmx h ILE 83 Cb 1.40 3.18 -0.04 0.00 -3.07 0.00 0.00 36.82 38.29 2hmx h ILE 83 CO 0.07 0.65 0.38 0.00 -0.69 0.00 0.00 178.15 178.55 2hmx h ALA 84 N 0.01 1.20 0.66 1.87 0.00 -1.05 0.58 119.26 122.53 2hmx h ALA 84 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2hmx h ALA 84 Cb 1.39 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2hmx h ALA 84 CO 0.07 0.61 -0.32 0.28 0.00 0.00 0.00 179.25 179.89 2hmx h VAL 85 N 1.10 0.29 0.00 0.00 2.07 -1.00 0.50 116.25 119.21 2hmx h VAL 85 Ca 0.27 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2hmx h VAL 85 Cb 0.10 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2hmx h VAL 85 CO -0.04 0.02 0.00 0.25 0.02 0.00 0.00 177.57 177.82 2hmx h LEU 86 N -1.00 0.00 -0.14 2.57 5.85 0.97 0.98 115.31 124.53 2hmx h LEU 86 Ca -0.09 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2hmx h LEU 86 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2hmx h LEU 86 CO 0.15 0.00 -0.21 0.22 -0.34 0.00 0.00 178.44 178.26 2hmx h TYR 87 N 0.00 0.49 -0.52 1.25 5.03 0.14 0.30 116.97 123.66 2hmx h TYR 87 Ca 0.00 -0.16 0.06 0.00 2.58 0.00 0.00 58.73 61.21 2hmx h TYR 87 Cb 0.23 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 2hmx h TYR 87 CO 0.00 0.82 0.35 0.00 -1.32 0.00 0.00 178.16 178.01 2hmx h VAL 89 N 0.47 0.77 -0.48 0.00 2.07 0.42 0.55 116.25 120.05 2hmx h VAL 89 Ca 0.22 -2.40 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 2hmx h VAL 89 Cb 0.29 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2hmx h VAL 89 CO -0.06 0.85 0.15 0.45 0.02 0.00 0.00 177.57 178.98 2hmx h HIS 90 N 0.01 0.70 0.49 1.57 -0.00 -0.23 0.15 115.15 117.84 2hmx h HIS 90 Ca -0.39 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 2hmx h HIS 90 Cb 2.01 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 29.21 2hmx h HIS 90 CO 0.09 0.58 -0.24 1.96 -0.00 0.00 0.00 177.93 180.32 2hmx h GLN 91 N 0.69 -0.64 0.00 2.45 7.50 -1.49 -3.47 115.11 120.16 2hmx h GLN 91 Ca 0.16 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2hmx h GLN 91 Cb 0.20 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.87 2hmx h GLN 91 CO -0.01 -0.42 0.00 -2.13 -1.50 0.00 0.00 178.83 174.77 2hmx n ARG 92 N -3.82 0.00 -1.77 1.46 3.00 0.04 -5.13 116.66 110.44 2hmx n ARG 92 Ca -0.08 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.36 2hmx n ARG 92 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.71 2hmx n ARG 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2hmx s ILE 93 N 0.00 2.01 0.21 5.15 1.09 0.19 -4.89 121.20 124.95 2hmx s ILE 93 Ca 0.00 0.01 0.06 0.00 -1.10 0.00 0.00 60.65 59.62 2hmx s ILE 93 Cb 0.00 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 2hmx s ILE 93 CO 0.00 0.00 0.16 1.51 -0.10 0.00 0.00 174.94 176.51 2hmx s ASP 94 N 0.24 5.46 0.19 3.58 1.47 -1.26 -3.20 116.67 123.15 2hmx s ASP 94 Ca 0.59 -0.22 -0.02 0.00 1.18 0.00 0.00 52.55 54.09 2hmx s ASP 94 Cb -0.48 -1.39 -0.04 0.00 -0.34 0.00 0.00 42.92 40.68 2hmx s ASP 94 CO 0.55 0.02 0.14 0.68 0.68 0.00 0.00 175.17 177.23 2hmx s VAL 95 N -1.95 0.02 -0.07 2.11 -7.23 -1.26 -4.98 120.40 107.04 2hmx s VAL 95 Ca 0.32 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2hmx s VAL 95 Cb -0.09 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2hmx s VAL 95 CO 0.24 -0.09 -0.09 2.29 -0.31 0.00 0.00 175.10 177.14 2hmx n LYS 96 N -0.24 0.14 -4.64 4.82 2.85 -1.26 -4.95 118.16 114.89 2hmx n LYS 96 Ca 0.00 0.06 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 2hmx n LYS 96 Cb 0.65 -0.74 -0.09 0.00 -0.65 0.00 0.00 35.03 34.21 2hmx n LYS 96 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2hmx s ASP 97 N -5.62 3.54 0.16 -5.58 -4.77 -1.26 0.59 116.67 103.73 2hmx s ASP 97 Ca -0.09 -1.58 -0.16 0.00 -3.30 0.00 0.00 52.55 47.42 2hmx s ASP 97 Cb 0.04 0.28 0.04 0.00 -1.09 0.00 0.00 42.92 42.19 2hmx s ASP 97 CO 0.12 -0.77 1.80 0.74 0.70 0.00 0.00 175.17 177.76 2hmx h THR 98 N 1.63 1.05 -0.14 2.11 2.02 -0.72 -2.12 112.91 116.73 2hmx h THR 98 Ca -0.41 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2hmx h THR 98 Cb 1.28 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2hmx h THR 98 CO 0.70 0.09 -0.00 0.11 0.37 0.00 0.00 175.52 176.79 2hmx h LYS 99 N 0.50 0.19 0.22 6.66 1.57 -1.85 0.60 116.57 124.47 2hmx h LYS 99 Ca 0.16 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.58 2hmx h LYS 99 Cb 0.00 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.30 2hmx h LYS 99 CO -0.07 0.22 -1.58 1.05 -0.57 0.00 0.00 179.45 178.49 2hmx h GLU 100 N 0.19 0.47 0.41 3.15 -0.00 -1.79 0.16 114.58 117.17 2hmx h GLU 100 Ca 0.05 -0.80 -0.02 0.00 -0.00 0.00 0.00 59.36 58.59 2hmx h GLU 100 Cb 0.14 0.30 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 2hmx h GLU 100 CO 0.00 1.38 -0.20 0.00 -0.00 0.00 0.00 179.01 180.20 2hmx h ALA 101 N 0.12 -0.55 0.00 1.06 0.00 -0.97 -1.97 119.26 116.96 2hmx h ALA 101 Ca -0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hmx h ALA 101 Cb 2.12 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.12 2hmx h ALA 101 CO 0.23 -0.77 0.00 1.25 0.00 0.00 0.00 179.25 179.95 2hmx h LEU 102 N -0.62 0.00 0.00 0.00 5.85 0.36 0.99 115.31 121.89 2hmx h LEU 102 Ca -0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2hmx h LEU 102 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2hmx h LEU 102 CO 0.09 0.00 -0.29 -0.78 -0.34 0.00 0.00 178.44 177.13 2hmx h ASP 103 N 0.00 0.00 0.37 1.25 3.58 -0.80 -1.04 116.42 119.77 2hmx h ASP 103 Ca 0.00 -0.85 -0.01 0.00 0.42 0.00 0.00 57.03 56.59 2hmx h ASP 103 Cb 0.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2hmx h ASP 103 CO 0.00 1.09 -0.05 0.50 -2.88 0.00 0.00 179.24 177.90 2hmx h LYS 104 N -1.00 0.00 0.00 0.28 3.64 0.15 0.57 116.57 120.21 2hmx h LYS 104 Ca -0.08 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 2hmx h LYS 104 Cb 1.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 2hmx h LYS 104 CO -0.05 0.05 -1.58 -0.89 -2.27 0.00 0.00 179.45 174.72 2hmx n ILE 105 N -3.39 1.23 0.58 2.00 2.08 0.20 -1.40 119.36 120.65 2hmx n ILE 105 Ca -0.02 -0.72 0.13 0.00 0.56 0.00 0.00 62.75 62.71 2hmx n ILE 105 Cb 0.19 -0.74 0.42 0.00 -0.75 0.00 0.00 39.64 38.76 2hmx n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2hmx n GLU 106 N -2.88 0.26 -1.03 0.38 1.02 -0.40 -1.78 120.64 116.22 2hmx n GLU 106 Ca -0.13 0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 2hmx n GLU 106 Cb 0.89 -1.83 0.08 0.00 -0.02 0.00 0.00 31.44 30.57 2hmx n GLU 106 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2hmx n GLU 107 N -2.29 2.12 -2.18 3.49 0.00 0.20 -4.86 120.64 117.13 2hmx n GLU 107 Ca 0.05 -2.34 -0.20 0.00 0.00 0.00 0.00 57.16 54.67 2hmx n GLU 107 Cb 0.40 -1.92 -0.03 0.00 0.00 0.00 0.00 31.44 29.89 2hmx n GLU 107 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hmx n GLU 108 N -0.43 -1.66 0.15 5.31 2.13 -0.73 -4.83 120.64 120.59 2hmx n GLU 108 Ca 0.45 1.03 0.04 0.00 0.66 0.00 0.00 57.16 59.35 2hmx n GLU 108 Cb 0.88 -5.61 0.46 0.00 0.27 0.00 0.00 31.44 27.44 2hmx n GLU 108 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2hmx h GLN 109 N 0.00 0.19 0.00 5.31 7.50 -1.38 -3.39 115.11 123.33 2hmx h GLN 109 Ca -0.46 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2hmx h GLN 109 Cb 1.34 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.84 2hmx h GLN 109 CO 0.57 0.26 0.00 -1.71 -1.50 0.00 0.00 178.83 176.46 2hmx n ASN 110 N -4.36 0.00 -1.27 1.46 4.05 -1.14 -4.98 115.26 109.01 2hmx n ASN 110 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 2hmx n ASN 110 Cb 0.20 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.21 2hmx n ASN 110 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2hmx n LYS 111 N 0.00 -3.65 -0.72 1.20 0.00 -1.25 -5.01 118.16 108.73 2hmx n LYS 111 Ca 0.00 2.71 -0.02 0.00 0.00 0.00 0.00 58.31 61.00 2hmx n LYS 111 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 35.03 31.96 2hmx n LYS 111 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2hmx n SER 112 N -0.82 -0.23 -1.41 3.14 3.41 -1.26 -5.03 113.62 111.42 2hmx n SER 112 Ca 0.00 -1.49 0.18 0.00 -0.26 0.00 0.00 58.87 57.30 2hmx n SER 112 Cb 0.00 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 2hmx n SER 112 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hmx n LYS 113 N 0.03 -3.02 -3.93 4.33 4.76 -1.26 -4.81 118.16 114.27 2hmx n LYS 113 Ca -0.08 2.21 -0.35 0.00 -2.87 0.00 0.00 58.31 57.22 2hmx n LYS 113 Cb 0.63 -3.61 -0.14 0.00 -1.84 0.00 0.00 35.03 30.06 2hmx n LYS 113 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2hmx s LYS 114 N -3.05 3.33 0.18 1.97 -2.85 -1.26 -5.09 119.74 112.97 2hmx s LYS 114 Ca 0.00 -0.65 -0.24 0.00 -1.00 0.00 0.00 55.97 54.09 2hmx s LYS 114 Cb 0.00 -2.97 0.07 0.00 -2.06 0.00 0.00 37.83 32.87 2hmx s LYS 114 CO 0.00 -0.20 0.98 0.21 0.10 0.00 0.00 175.35 176.44 2hmx s LYS 115 N 1.46 1.29 0.00 1.78 2.20 -1.26 -5.13 119.74 120.08 2hmx s LYS 115 Ca 0.06 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2hmx s LYS 115 Cb -0.14 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 2hmx s LYS 115 CO -0.04 -0.60 0.00 0.00 -0.36 0.00 0.00 175.35 174.35 2hmx n ALA 116 N -0.54 2.51 -2.50 3.13 0.00 -1.26 -5.02 120.51 116.83 2hmx n ALA 116 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 2hmx n ALA 116 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.76 -2.19 0.00 0.00 10.64 -1.26 -3.81 117.38 119.00 2hmx n GLN 117 Ca 0.00 1.00 0.00 0.00 -1.83 0.00 0.00 57.00 56.17 2hmx n GLN 117 Cb 0.00 -5.71 0.00 0.00 -0.86 0.00 0.00 30.24 23.67 2hmx n GLN 117 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2hmx n GLN 118 N -3.18 0.00 -1.55 2.61 1.13 -1.26 -4.71 117.38 110.42 2hmx n GLN 118 Ca -0.23 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.64 2hmx n GLN 118 Cb 0.68 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.95 2hmx n GLN 118 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hmx n ALA 119 N 1.16 -0.29 -3.59 -1.58 0.00 -1.25 -4.92 120.51 110.05 2hmx n ALA 119 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 2hmx n ALA 119 Cb 0.00 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 2hmx n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx s ALA 120 N -2.69 -0.57 -0.21 0.00 0.00 -1.26 -5.00 121.76 112.03 2hmx s ALA 120 Ca 0.00 0.93 0.15 0.00 0.00 0.00 0.00 51.96 53.05 2hmx s ALA 120 Cb 0.00 -0.58 0.56 0.00 0.00 0.00 0.00 23.12 23.09 2hmx s ALA 120 CO 0.00 -0.18 1.47 0.00 0.00 0.00 0.00 175.76 177.05 2hmx n ALA 121 N 3.94 3.33 -3.54 0.00 0.00 -1.26 -4.67 120.51 118.31 2hmx n ALA 121 Ca -0.22 -2.41 -0.28 0.00 0.00 0.00 0.00 53.44 50.53 2hmx n ALA 121 Cb 0.54 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 2hmx n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hmx s ASP 122 N -1.89 2.61 0.00 0.00 -1.08 -1.26 -4.82 116.67 110.22 2hmx s ASP 122 Ca 0.44 -3.03 0.00 0.00 -0.52 0.00 0.00 52.55 49.44 2hmx s ASP 122 Cb 0.36 -0.74 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 2hmx s ASP 122 CO 0.08 -0.19 0.00 1.07 0.52 0.00 0.00 175.17 176.66 2hmx n THR 123 N 2.95 0.00 -2.18 1.71 5.66 -1.26 -5.02 114.28 116.14 2hmx n THR 123 Ca 0.22 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.80 2hmx n THR 123 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.13 4.73 0.00 1.09 0.00 -1.26 -4.52 105.19 104.10 2hmx n GLY 124 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2hmx n GLY 124 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hmx n ASN 125 N 4.12 0.00 0.00 1.61 0.23 -1.26 -5.12 115.26 114.83 2hmx n ASN 125 Ca 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 2hmx n ASN 125 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2hmx n ASN 125 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2hmx n ASN 126 N 0.00 0.00 -0.96 0.53 4.05 -1.26 -5.17 115.26 112.45 2hmx n ASN 126 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2hmx n ASN 126 Cb 0.00 0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.13 2hmx n ASN 126 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2hmx n SER 127 N -1.54 1.12 -1.13 1.20 7.64 -1.26 -5.09 113.62 114.56 2hmx n SER 127 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.40 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 -0.21 2.73 -1.78 1.43 10.64 -1.26 -5.06 117.38 123.87 2hmx n GLN 128 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2hmx n GLN 128 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2hmx n GLN 128 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2hmx s VAL 129 N 0.09 2.15 0.16 -0.39 1.01 -1.26 -4.73 120.40 117.44 2hmx s VAL 129 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2hmx s VAL 129 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2hmx s VAL 129 CO 0.00 0.01 0.00 -1.20 0.00 0.00 0.00 175.10 173.91 2hmx n SER 130 N 3.74 -1.34 -0.03 3.32 7.64 -1.26 -5.03 113.62 120.65 2hmx n SER 130 Ca 0.14 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.32 2hmx n SER 130 Cb 0.36 1.52 -0.01 0.00 -1.01 0.00 0.00 64.21 65.08 2hmx n SER 130 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2hmx h GLN 131 N 0.00 0.00 -4.48 1.43 4.20 -2.04 -3.49 115.11 110.73 2hmx h GLN 131 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2hmx h GLN 131 Cb 0.00 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.87 2hmx h GLN 131 CO 0.00 0.00 -0.39 0.09 -0.67 0.00 0.00 178.83 177.86 2hmx n ASN 132 N -3.37 -5.02 0.00 1.46 3.02 -1.26 -5.32 115.26 104.77 2hmx n ASN 132 Ca -0.03 -0.33 0.01 0.00 -0.03 0.00 0.00 54.58 54.20 2hmx n ASN 132 Cb 0.09 -3.44 0.08 0.00 -0.61 0.00 0.00 39.78 35.90 2hmx n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64