#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hba s THR 3 N 0.00 1.58 -0.37 4.28 -4.23 -1.26 -5.04 115.64 110.60 3hba s THR 3 Ca 0.00 -2.14 0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3hba s THR 3 Cb 0.00 -2.29 0.67 0.00 1.34 0.00 0.00 72.50 72.22 3hba s THR 3 CO 0.00 -0.41 1.77 -0.46 -0.54 0.00 0.00 174.62 174.98 3hba n ASN 4 N -0.48 4.33 -4.87 3.99 6.94 -1.26 -4.93 115.26 118.98 3hba n ASN 4 Ca -0.06 -3.24 -0.31 0.00 -0.02 0.00 0.00 54.58 50.94 3hba n ASN 4 Cb 0.62 -0.76 -0.05 0.00 -2.36 0.00 0.00 39.78 37.23 3hba n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3hba s THR 5 N -2.87 4.82 0.00 5.53 -4.23 -1.26 -5.03 115.64 112.60 3hba s THR 5 Ca 0.52 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 3hba s THR 5 Cb 0.42 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3hba s THR 5 CO 0.12 -0.22 0.42 -0.38 -0.54 0.00 0.00 174.62 174.02 3hba n ILE 6 N -0.52 0.42 0.00 2.99 5.41 -1.26 -2.13 119.36 124.27 3hba n ILE 6 Ca 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3hba n ILE 6 Cb 0.53 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 3hba n ILE 6 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3hba n GLU 8 N 1.39 0.00 -0.04 0.38 2.13 -1.26 -1.09 120.64 122.15 3hba n GLU 8 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3hba n GLU 8 Cb 0.14 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.83 3hba n GLU 8 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3hba h GLN 9 N 0.00 -0.04 -0.63 5.31 4.15 -1.79 0.11 115.11 122.22 3hba h GLN 9 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3hba h GLN 9 Cb 0.00 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3hba h GLN 9 CO 0.00 -0.03 0.33 0.93 -1.93 0.00 0.00 178.83 178.13 3hba h GLU 10 N -0.04 0.89 -0.81 1.69 5.08 -1.40 -2.53 114.58 117.46 3hba h GLU 10 Ca 0.11 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hba h GLU 10 Cb 0.21 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3hba h GLU 10 CO -0.24 0.69 0.50 0.00 -1.00 0.00 0.00 179.01 178.96 3hba h ALA 11 N 1.15 1.03 0.00 3.43 0.00 -1.72 -2.08 119.26 121.08 3hba h ALA 11 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hba h ALA 11 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hba h ALA 11 CO -0.03 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3hba h ARG 12 N 1.11 0.00 0.00 0.00 3.08 -0.37 -2.25 114.38 115.95 3hba h ARG 12 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3hba h ARG 12 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hba h ARG 12 CO -0.06 0.00 -0.13 0.25 -1.07 0.00 0.00 179.97 178.96 3hba n THR 13 N -2.94 0.14 -0.34 2.04 -2.24 -0.79 -4.34 114.28 105.81 3hba n THR 13 Ca -0.01 -0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 3hba n THR 13 Cb 0.20 -0.36 0.10 0.00 -2.10 0.00 0.00 70.33 68.17 3hba n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hba h ALA 14 N 2.88 1.17 -0.33 6.98 0.00 -1.40 -0.56 119.26 127.99 3hba h ALA 14 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hba h ALA 14 Cb 0.56 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hba h ALA 14 CO 0.00 0.56 0.22 -1.35 0.00 0.00 0.00 179.25 178.67 3hba h PRO 15 N 1.24 0.43 -0.22 0.00 0.11 -1.81 0.22 132.00 131.98 3hba h PRO 15 Ca 0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3hba h PRO 15 Cb -0.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 3hba h PRO 15 CO -0.08 0.29 0.10 0.37 -0.21 0.00 0.00 178.00 178.47 3hba h GLN 16 N 0.44 0.32 -0.84 1.05 5.75 -1.76 -1.63 115.11 118.44 3hba h GLN 16 Ca 0.12 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3hba h GLN 16 Cb -0.05 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3hba h GLN 16 CO -0.03 0.35 0.39 0.87 -2.65 0.00 0.00 178.83 177.75 3hba h LYS 17 N 0.22 1.23 -0.31 1.69 1.79 -0.89 -1.64 116.57 118.64 3hba h LYS 17 Ca 0.07 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.20 3hba h LYS 17 Cb 0.14 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3hba h LYS 17 CO -0.01 0.95 -0.42 0.82 -1.08 0.00 0.00 179.45 179.72 3hba h ILE 18 N 1.21 1.29 -0.74 1.86 2.04 -0.51 0.63 117.51 123.29 3hba h ILE 18 Ca 0.29 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.57 3hba h ILE 18 Cb 0.15 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3hba h ILE 18 CO -0.03 0.52 0.47 0.00 0.00 0.00 0.00 178.15 179.11 3hba h ALA 19 N 0.90 0.95 -0.33 1.87 0.00 -1.06 -0.99 119.26 120.61 3hba h ALA 19 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hba h ALA 19 Cb 0.98 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hba h ALA 19 CO 0.09 0.28 -0.30 0.93 0.00 0.00 0.00 179.25 180.25 3hba h GLU 20 N 0.93 0.70 -0.35 0.00 5.08 -1.10 -2.16 114.58 117.68 3hba h GLU 20 Ca 0.29 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hba h GLU 20 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3hba h GLU 20 CO -0.09 0.91 0.20 0.37 -1.00 0.00 0.00 179.01 179.40 3hba h GLN 21 N 0.59 0.49 -0.80 2.33 4.15 -0.39 -0.29 115.11 121.20 3hba h GLN 21 Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3hba h GLN 21 Cb 0.81 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 3hba h GLN 21 CO 0.07 0.39 0.31 -0.07 -1.93 0.00 0.00 178.83 177.60 3hba h LEU 22 N 0.45 1.10 0.09 -2.39 3.38 -1.09 -0.87 115.31 115.99 3hba h LEU 22 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hba h LEU 22 Cb 0.04 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hba h LEU 22 CO -0.02 0.98 -0.04 0.25 0.09 0.00 0.00 178.44 179.69 3hba h LEU 23 N 1.16 -0.10 -1.57 1.67 5.85 -1.17 -2.31 115.31 118.83 3hba h LEU 23 Ca 0.26 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3hba h LEU 23 Cb 0.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hba h LEU 23 CO -0.02 0.01 -0.23 0.00 -0.34 0.00 0.00 178.44 177.86 3hba h ALA 24 N 0.69 1.44 -0.42 1.25 0.00 -0.82 -3.02 119.26 118.39 3hba h ALA 24 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hba h ALA 24 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hba h ALA 24 CO 0.02 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.65 3hba n ASN 25 N -4.00 3.45 -0.03 0.00 3.02 -0.35 -4.55 115.26 112.80 3hba n ASN 25 Ca -0.02 -1.97 -0.09 0.00 -0.03 0.00 0.00 54.58 52.46 3hba n ASN 25 Cb 0.30 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3hba n ASN 25 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3hba h ASP 26 N 4.24 0.04 -0.41 6.41 3.32 -1.28 -0.40 116.42 128.34 3hba h ASP 26 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hba h ASP 26 Cb 0.96 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3hba h ASP 26 CO 0.00 0.05 0.24 0.00 -1.72 0.00 0.00 179.24 177.81 3hba h ALA 27 N 1.12 0.52 -0.09 3.45 0.00 -1.82 -1.29 119.26 121.15 3hba h ALA 27 Ca 0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3hba h ALA 27 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hba h ALA 27 CO -0.09 0.02 -0.74 0.97 0.00 0.00 0.00 179.25 179.40 3hba h ILE 28 N 0.54 1.36 -0.01 0.00 2.10 -1.82 -1.78 117.51 117.90 3hba h ILE 28 Ca 0.15 -2.12 -0.16 0.00 1.08 0.00 0.00 64.86 63.81 3hba h ILE 28 Cb 0.01 2.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.81 3hba h ILE 28 CO -0.03 0.64 -0.73 0.71 -1.08 0.00 0.00 178.15 177.66 3hba h THR 29 N 0.32 1.49 0.00 2.19 1.35 -1.04 -1.18 112.91 116.03 3hba h THR 29 Ca -0.03 -2.42 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 3hba h THR 29 Cb 1.32 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3hba h THR 29 CO 0.13 0.70 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.02 3hba h GLU 30 N 0.05 -0.00 -0.71 4.72 4.57 -1.11 0.00 114.58 122.10 3hba h GLU 30 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3hba h GLU 30 Cb 1.29 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 3hba h GLU 30 CO 0.10 0.19 0.46 1.03 -1.18 0.00 0.00 179.01 179.61 3hba h SER 31 N -0.19 0.83 -0.66 1.04 0.87 -1.27 -1.86 113.55 112.30 3hba h SER 31 Ca -0.00 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3hba h SER 31 Cb 0.19 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3hba h SER 31 CO 0.00 0.61 0.24 0.25 -0.53 0.00 0.00 176.83 177.41 3hba h LEU 32 N 0.96 0.93 -0.68 2.23 5.85 -1.16 -1.63 115.31 121.81 3hba h LEU 32 Ca 0.26 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3hba h LEU 32 Cb -0.09 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.62 3hba h LEU 32 CO -0.05 0.86 0.28 1.23 -0.34 0.00 0.00 178.44 180.42 3hba h GLY 33 N 0.94 0.99 0.95 3.75 0.00 -0.61 0.76 103.07 109.85 3hba h GLY 33 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 3hba h GLY 33 CO -0.01 -0.03 0.13 0.23 0.00 0.00 0.00 176.54 176.86 3hba h SER 34 N 0.46 0.65 -0.78 0.19 0.87 -0.90 -1.74 113.55 112.31 3hba h SER 34 Ca 0.35 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3hba h SER 34 Cb 0.45 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3hba h SER 34 CO -0.33 0.69 0.40 0.58 -0.53 0.00 0.00 176.83 177.65 3hba h VAL 35 N 0.57 1.24 -0.16 2.23 2.07 -0.58 -2.81 116.25 118.81 3hba h VAL 35 Ca 0.14 -0.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 3hba h VAL 35 Cb 0.28 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hba h VAL 35 CO -0.00 0.27 -0.51 -0.07 0.02 0.00 0.00 177.57 177.29 3hba h LEU 36 N 1.08 0.49 -1.51 2.57 3.38 -0.70 -0.52 115.31 120.11 3hba h LEU 36 Ca 0.27 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hba h LEU 36 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hba h LEU 36 CO -0.04 0.91 -0.08 0.03 0.09 0.00 0.00 178.44 179.36 3hba h ARG 37 N 0.35 0.22 0.10 1.13 3.08 -1.17 0.61 114.38 118.71 3hba h ARG 37 Ca 0.01 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 3hba h ARG 37 Cb 1.01 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 31.05 3hba h ARG 37 CO 0.09 0.32 -1.11 1.49 -1.07 0.00 0.00 179.97 179.69 3hba h GLU 38 N 0.22 0.57 -0.23 0.04 4.57 -1.22 -3.36 114.58 115.16 3hba h GLU 38 Ca 0.05 -0.75 -0.18 0.00 -1.18 0.00 0.00 59.36 57.30 3hba h GLU 38 Cb 0.28 0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3hba h GLU 38 CO 0.01 1.33 -0.57 0.35 -1.18 0.00 0.00 179.01 178.96 3hba h PHE 39 N 0.16 0.92 -5.60 0.92 3.57 -0.88 -3.48 116.94 112.55 3hba h PHE 39 Ca -0.17 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 60.91 3hba h PHE 39 Cb 1.80 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 40.38 3hba h PHE 39 CO 0.13 1.12 -0.21 1.63 -2.23 0.00 0.00 178.31 178.75 3hba n LYS 40 N -3.98 -1.38 -1.65 1.11 5.02 0.19 -4.88 118.16 112.59 3hba n LYS 40 Ca -0.04 1.35 -0.46 0.00 -2.02 0.00 0.00 58.31 57.14 3hba n LYS 40 Cb 0.63 -5.19 -0.03 0.00 -0.02 0.00 0.00 35.03 30.41 3hba n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hba n PRO 41 N -1.97 1.82 0.14 1.97 -0.02 -1.26 -4.90 135.00 130.77 3hba n PRO 41 Ca -0.05 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 3hba n PRO 41 Cb 0.54 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3hba n PRO 41 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hba h LYS 42 N 4.17 0.00 -3.07 -0.52 1.57 -1.29 -3.48 116.57 113.95 3hba h LYS 42 Ca -0.45 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.37 3hba h LYS 42 Cb 1.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 3hba h LYS 42 CO 0.76 0.36 0.19 -0.59 -0.57 0.00 0.00 179.45 179.59 3hba s PHE 43 N -3.02 -0.19 0.47 -1.35 -0.12 -1.26 -4.45 117.98 108.05 3hba s PHE 43 Ca 0.03 -0.22 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 3hba s PHE 43 Cb 0.07 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.08 3hba s PHE 43 CO 0.74 -1.15 0.08 0.08 -0.05 0.00 0.00 175.22 174.93 3hba s VAL 44 N -3.90 0.79 -0.27 -2.49 1.01 -0.43 -1.28 120.40 113.83 3hba s VAL 44 Ca 0.10 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.96 3hba s VAL 44 Cb -0.05 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.23 3hba s VAL 44 CO 0.04 0.00 0.62 -0.63 0.00 0.00 0.00 175.10 175.13 3hba s ILE 46 N -3.05 -0.44 -0.23 2.22 -1.09 0.12 -1.16 121.20 117.57 3hba s ILE 46 Ca 0.14 0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.50 3hba s ILE 46 Cb 0.01 -0.93 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 3hba s ILE 46 CO 0.09 0.01 0.08 -0.69 -1.23 0.00 0.00 174.94 173.20 3hba s VAL 47 N 2.18 4.62 0.00 2.92 1.01 -0.17 -0.64 120.40 130.31 3hba s VAL 47 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3hba s VAL 47 Cb -0.09 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hba s VAL 47 CO -0.18 0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3hba n GLY 48 N 4.41 3.09 2.74 4.51 0.00 -1.26 -0.41 105.19 118.27 3hba n GLY 48 Ca -0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3hba n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hba n ARG 49 N 0.00 3.60 0.00 1.61 -4.01 -1.26 -4.90 116.66 111.70 3hba n ARG 49 Ca 0.00 -3.22 0.00 0.00 -1.04 0.00 0.00 57.85 53.59 3hba n ARG 49 Cb 0.00 -2.95 0.00 0.00 -3.04 0.00 0.00 32.46 26.47 3hba n ARG 49 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3hba n GLY 50 N 2.98 -0.58 0.00 2.89 0.00 -1.26 -3.74 105.19 105.48 3hba n GLY 50 Ca 0.48 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.81 3hba n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hba n SER 51 N -1.41 0.00 -0.20 1.61 2.88 -0.87 -1.35 113.62 114.29 3hba n SER 51 Ca 0.00 0.50 -0.04 0.00 -1.33 0.00 0.00 58.87 58.00 3hba n SER 51 Cb 0.00 -0.50 0.13 0.00 -0.75 0.00 0.00 64.21 63.09 3hba n SER 51 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3hba h SER 52 N 0.00 0.92 -0.74 -3.46 0.87 -1.85 -3.45 113.55 105.85 3hba h SER 52 Ca 0.00 -0.16 -0.61 0.00 -1.23 0.00 0.00 61.79 59.78 3hba h SER 52 Cb 0.02 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3hba h SER 52 CO 0.00 0.87 0.26 -0.67 -0.53 0.00 0.00 176.83 176.76 3hba n ASP 53 N -4.27 0.42 -0.08 6.23 2.03 -0.45 -4.77 116.55 115.66 3hba n ASP 53 Ca 0.05 0.86 -0.14 0.00 0.52 0.00 0.00 54.79 56.08 3hba n ASP 53 Cb 0.22 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 39.90 3hba n ASP 53 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3hba h HIS 54 N 2.90 0.89 -0.84 -0.67 3.86 -1.92 -2.15 115.15 117.22 3hba h HIS 54 Ca -0.35 -0.31 0.04 0.00 -1.16 0.00 0.00 60.37 58.59 3hba h HIS 54 Cb 1.03 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 3hba h HIS 54 CO 0.45 1.08 0.55 0.00 0.86 0.00 0.00 177.93 180.88 3hba h ALA 55 N 0.65 1.49 -0.78 2.45 0.00 -1.93 -2.44 119.26 118.70 3hba h ALA 55 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hba h ALA 55 Cb 1.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3hba h ALA 55 CO 0.09 0.42 0.48 0.78 0.00 0.00 0.00 179.25 181.02 3hba h GLY 56 N 1.03 1.13 0.97 0.00 0.00 -1.84 0.13 103.07 104.49 3hba h GLY 56 Ca 0.34 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3hba h GLY 56 CO -0.10 0.45 0.18 -2.08 0.00 0.00 0.00 176.54 174.99 3hba h VAL 57 N 1.08 1.22 -0.64 4.60 2.07 -0.93 -0.58 116.25 123.07 3hba h VAL 57 Ca 0.28 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hba h VAL 57 Cb -0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hba h VAL 57 CO -0.05 0.25 0.35 0.15 0.02 0.00 0.00 177.57 178.30 3hba h PHE 58 N 0.65 0.87 -0.84 1.57 3.57 -1.11 -2.60 116.94 119.04 3hba h PHE 58 Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hba h PHE 58 Cb 0.22 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3hba h PHE 58 CO 0.01 0.62 0.55 0.00 -2.23 0.00 0.00 178.31 177.26 3hba h ALA 59 N 1.17 1.53 -0.02 2.41 0.00 -0.18 -1.72 119.26 122.46 3hba h ALA 59 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hba h ALA 59 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hba h ALA 59 CO -0.04 0.37 -0.04 -0.22 0.00 0.00 0.00 179.25 179.32 3hba h LYS 60 N 0.99 -0.07 -0.51 0.00 3.64 -0.73 0.54 116.57 120.43 3hba h LYS 60 Ca 0.35 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3hba h LYS 60 Cb 0.12 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3hba h LYS 60 CO -0.11 -0.05 0.29 1.88 -2.27 0.00 0.00 179.45 179.19 3hba h TYR 61 N -0.07 0.69 0.58 1.91 0.05 -1.32 -1.03 116.97 117.80 3hba h TYR 61 Ca 0.02 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3hba h TYR 61 Cb 0.10 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 37.63 3hba h TYR 61 CO -0.12 0.50 -0.28 1.25 -1.05 0.00 0.00 178.16 178.46 3hba h LEU 62 N 0.68 -0.66 -0.53 3.88 5.85 -0.90 -0.45 115.31 123.17 3hba h LEU 62 Ca 0.18 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 3hba h LEU 62 Cb 0.03 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3hba h LEU 62 CO -0.03 -0.44 -0.71 -0.26 -0.34 0.00 0.00 178.44 176.66 3hba h PHE 63 N -0.84 0.23 -0.21 1.25 0.04 -0.89 -0.06 116.94 116.46 3hba h PHE 63 Ca -0.08 -0.10 -0.21 0.00 2.80 0.00 0.00 57.97 60.38 3hba h PHE 63 Cb 0.62 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.74 3hba h PHE 63 CO -0.02 0.82 -0.68 0.93 -0.60 0.00 0.00 178.31 178.75 3hba h GLU 64 N 0.11 0.83 0.10 1.51 5.08 -1.20 -0.69 114.58 120.32 3hba h GLU 64 Ca -0.02 -0.61 -0.20 0.00 -1.00 0.00 0.00 59.36 57.54 3hba h GLU 64 Cb 1.25 0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.63 3hba h GLU 64 CO 0.10 1.23 -0.83 0.82 -1.00 0.00 0.00 179.01 179.33 3hba h ILE 65 N 0.59 1.45 0.02 3.13 2.04 -1.04 -1.75 117.51 121.95 3hba h ILE 65 Ca -0.02 -2.39 -0.27 0.00 1.00 0.00 0.00 64.86 63.17 3hba h ILE 65 Cb 1.30 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 40.30 3hba h ILE 65 CO 0.14 0.69 -1.46 -0.33 0.00 0.00 0.00 178.15 177.20 3hba h GLU 66 N -0.19 0.04 -0.00 2.37 4.39 -1.10 -3.38 114.58 116.72 3hba h GLU 66 Ca -0.13 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3hba h GLU 66 Cb 1.60 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 3hba h GLU 66 CO 0.16 0.77 -0.24 0.00 -1.16 0.00 0.00 179.01 178.54 3hba n ALA 67 N -2.52 2.85 -2.19 3.43 0.00 -0.32 -4.96 120.51 116.80 3hba n ALA 67 Ca -0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 52.78 3hba n ALA 67 Cb 1.01 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 3hba n ALA 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hba n SER 68 N -0.54 -5.17 -4.38 0.00 7.64 -0.66 -4.96 113.62 105.56 3hba n SER 68 Ca 0.03 0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.73 3hba n SER 68 Cb 0.17 -4.39 -0.14 0.00 -1.01 0.00 0.00 64.21 58.83 3hba n SER 68 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hba s ILE 69 N -2.82 3.25 0.23 0.44 -1.09 -1.16 -4.97 121.20 115.09 3hba s ILE 69 Ca 0.00 -0.58 -0.32 0.00 -2.23 0.00 0.00 60.65 57.53 3hba s ILE 69 Cb 0.00 -2.40 -0.13 0.00 -1.58 0.00 0.00 42.46 38.35 3hba s ILE 69 CO 0.00 0.50 1.55 -0.81 -1.23 0.00 0.00 174.94 174.95 3hba n PRO 70 N 3.78 2.37 -4.21 2.79 -0.04 -1.26 -3.58 135.00 134.85 3hba n PRO 70 Ca -0.18 0.85 -0.16 0.00 -0.04 0.00 0.00 63.50 63.96 3hba n PRO 70 Cb 0.52 -2.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 3hba n PRO 70 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hba s THR 71 N 0.35 0.55 0.25 0.52 2.01 -1.26 -1.31 115.64 116.76 3hba s THR 71 Ca 0.70 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 3hba s THR 71 Cb -0.59 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 71.46 3hba s THR 71 CO 0.44 0.06 0.68 0.72 -0.69 0.00 0.00 174.62 175.83 3hba s PHE 72 N -0.37 -0.24 -0.01 4.92 -0.71 -0.31 -4.80 117.98 116.47 3hba s PHE 72 Ca 0.01 -0.17 -0.08 0.00 -1.04 0.00 0.00 56.93 55.65 3hba s PHE 72 Cb -0.04 0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 42.38 3hba s PHE 72 CO -0.00 -1.15 0.28 0.00 -1.34 0.00 0.00 175.22 173.01 3hba s ALA 73 N -3.89 3.82 0.47 1.99 0.00 -1.26 0.12 121.76 123.01 3hba s ALA 73 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 3hba s ALA 73 Cb -0.05 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 3hba s ALA 73 CO 0.03 0.62 1.08 0.00 0.00 0.00 0.00 175.76 177.48 3hba s ALA 74 N -1.24 2.91 -0.47 0.00 0.00 0.19 -4.79 121.76 118.36 3hba s ALA 74 Ca 0.25 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3hba s ALA 74 Cb -0.13 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.76 3hba s ALA 74 CO 0.14 -0.42 0.39 0.00 0.00 0.00 0.00 175.76 175.87 3hba s ALA 75 N -1.80 3.55 0.35 0.00 0.00 -1.26 -2.04 121.76 120.56 3hba s ALA 75 Ca 0.65 -2.09 0.08 0.00 0.00 0.00 0.00 51.96 50.60 3hba s ALA 75 Cb -0.21 -3.06 0.78 0.00 0.00 0.00 0.00 23.12 20.64 3hba s ALA 75 CO 0.25 -1.71 1.87 -1.35 0.00 0.00 0.00 175.76 174.82 3hba h PRO 76 N 8.74 0.71 -0.09 0.00 0.11 -1.91 -1.61 132.00 137.95 3hba h PRO 76 Ca -0.28 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.79 3hba h PRO 76 Cb 1.11 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3hba h PRO 76 CO 0.87 0.47 0.06 0.66 -0.21 0.00 0.00 178.00 179.85 3hba h SER 77 N 0.73 0.08 -0.88 -2.05 4.64 -1.96 -0.55 113.55 113.56 3hba h SER 77 Ca 0.44 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.84 3hba h SER 77 Cb 0.65 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.65 3hba h SER 77 CO -0.20 0.05 0.53 0.58 -0.87 0.00 0.00 176.83 176.93 3hba h VAL 78 N 0.09 0.99 0.07 0.95 2.07 -1.67 0.14 116.25 118.88 3hba h VAL 78 Ca 0.04 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 3hba h VAL 78 Cb 0.04 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3hba h VAL 78 CO -0.01 0.17 -0.85 0.00 0.02 0.00 0.00 177.57 176.91 3hba h ALA 79 N 1.44 0.07 0.00 1.67 0.00 -1.57 -0.83 119.26 120.05 3hba h ALA 79 Ca 0.40 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hba h ALA 79 Cb 0.27 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hba h ALA 79 CO -0.21 0.46 -0.00 0.66 0.00 0.00 0.00 179.25 180.16 3hba h SER 80 N -0.62 -0.00 0.12 0.00 4.64 -0.98 -3.05 113.55 113.66 3hba h SER 80 Ca -0.19 -0.78 -0.30 0.00 -0.47 0.00 0.00 61.79 60.05 3hba h SER 80 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3hba h SER 80 CO 0.03 0.88 -1.57 0.58 -0.87 0.00 0.00 176.83 175.88 3hba h VAL 81 N -0.99 0.93 -0.00 0.95 2.07 -1.07 -3.36 116.25 114.78 3hba h VAL 81 Ca -0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3hba h VAL 81 Cb 0.78 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3hba h VAL 81 CO 0.00 0.74 -0.36 -1.22 0.02 0.00 0.00 177.57 176.75 3hba n TYR 82 N -3.83 0.00 -2.05 1.57 4.01 0.15 -4.95 117.16 112.07 3hba n TYR 82 Ca -0.27 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.34 3hba n TYR 82 Cb 0.94 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.78 3hba n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hba n GLY 83 N 1.40 0.21 3.88 2.72 0.00 -1.02 -4.95 105.19 107.43 3hba n GLY 83 Ca 0.09 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3hba n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hba s LYS 84 N -4.31 3.51 -0.22 1.61 -0.14 -0.35 -4.98 119.74 114.88 3hba s LYS 84 Ca 0.00 -0.10 -0.06 0.00 -1.36 0.00 0.00 55.97 54.44 3hba s LYS 84 Cb 0.00 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 3hba s LYS 84 CO 0.00 0.73 0.04 0.99 -0.76 0.00 0.00 175.35 176.35 3hba s THR 85 N -1.14 4.28 0.61 2.17 2.01 -1.26 -4.12 115.64 118.19 3hba s THR 85 Ca 0.20 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 3hba s THR 85 Cb -0.13 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3hba s THR 85 CO 0.10 0.40 0.99 -0.76 -0.69 0.00 0.00 174.62 174.66 3hba s LEU 86 N 1.11 3.24 -0.73 4.42 1.43 -1.26 -5.00 118.68 121.89 3hba s LEU 86 Ca 0.03 1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 54.12 3hba s LEU 86 Cb -0.14 -4.19 0.06 0.00 0.03 0.00 0.00 46.19 41.95 3hba s LEU 86 CO 0.03 -0.92 1.10 -0.54 0.23 0.00 0.00 176.35 176.25 3hba s LYS 87 N -5.12 3.21 0.00 1.70 1.02 -1.26 -4.70 119.74 114.59 3hba s LYS 87 Ca 0.54 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.82 3hba s LYS 87 Cb -0.11 -4.36 0.21 0.00 -0.52 0.00 0.00 37.83 33.04 3hba s LYS 87 CO 0.51 -1.93 1.15 1.28 -0.92 0.00 0.00 175.35 175.45 3hba n LEU 88 N 8.13 2.59 -4.66 3.17 4.77 -1.11 -5.03 117.00 124.87 3hba n LEU 88 Ca 0.03 -1.95 -0.46 0.00 -0.03 0.00 0.00 56.01 53.61 3hba n LEU 88 Cb 0.47 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3hba n LEU 88 CO 0.65 0.64 1.04 0.00 -1.33 0.00 0.00 177.39 178.39 3hba n ALA 89 N 0.22 0.88 -0.96 -1.18 0.00 -1.04 -1.04 120.51 117.39 3hba n ALA 89 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3hba n ALA 89 Cb 0.36 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3hba n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hba n GLY 90 N 2.55 0.88 3.95 0.00 0.00 -1.26 -4.95 105.19 106.36 3hba n GLY 90 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3hba n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hba s GLY 91 N -1.97 1.54 -0.18 -0.02 0.00 -0.21 -0.77 107.32 105.71 3hba s GLY 91 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 3hba s GLY 91 CO 0.00 -1.12 0.13 -2.27 0.00 0.00 0.00 173.10 169.84 3hba s LEU 92 N -3.48 4.22 -0.15 0.66 2.96 -0.41 -1.04 118.68 121.44 3hba s LEU 92 Ca 0.34 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 3hba s LEU 92 Cb -0.10 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3hba s LEU 92 CO 0.28 0.22 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.64 3hba s VAL 93 N 0.11 2.14 -0.24 1.68 1.01 0.07 -4.02 120.40 121.13 3hba s VAL 93 Ca 0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hba s VAL 93 Cb -0.11 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3hba s VAL 93 CO -0.01 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 175.00 3hba s ILE 94 N 0.90 3.50 -0.29 2.22 1.01 -1.26 -0.98 121.20 126.30 3hba s ILE 94 Ca -0.05 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3hba s ILE 94 Cb -0.15 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3hba s ILE 94 CO -0.04 0.30 0.42 -0.69 0.00 0.00 0.00 174.94 174.93 3hba s VAL 95 N 1.47 5.13 -0.27 2.92 1.01 0.62 -1.00 120.40 130.26 3hba s VAL 95 Ca 0.04 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 3hba s VAL 95 Cb -0.15 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3hba s VAL 95 CO -0.02 0.07 0.01 -0.63 0.00 0.00 0.00 175.10 174.53 3hba s ILE 96 N 2.16 3.35 -0.26 2.22 1.01 0.45 -0.91 121.20 129.22 3hba s ILE 96 Ca 0.16 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 3hba s ILE 96 Cb -0.16 -2.74 0.09 0.00 0.01 0.00 0.00 42.46 39.67 3hba s ILE 96 CO 0.10 0.11 0.59 -0.55 0.00 0.00 0.00 174.94 175.20 3hba s SER 97 N 1.39 -0.83 0.17 3.58 0.15 -0.85 -4.46 113.70 112.85 3hba s SER 97 Ca 0.01 1.35 -0.15 0.00 0.70 0.00 0.00 55.95 57.86 3hba s SER 97 Cb -0.17 1.55 0.05 0.00 -1.71 0.00 0.00 66.02 65.74 3hba s SER 97 CO -0.01 -0.22 1.83 1.56 1.20 0.00 0.00 173.24 177.59 3hba h GLN 98 N 7.48 0.65 0.00 5.44 1.08 -1.95 -3.25 115.11 124.57 3hba h GLN 98 Ca -0.26 -0.04 -0.26 0.00 -1.45 0.00 0.00 58.65 56.64 3hba h GLN 98 Cb 1.17 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 28.40 3hba h GLN 98 CO 0.16 0.44 -1.64 -1.13 -0.95 0.00 0.00 178.83 175.71 3hba n SER 99 N -4.74 0.86 -1.68 1.46 3.41 -1.26 -0.80 113.62 110.88 3hba n SER 99 Ca 0.02 0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 3hba n SER 99 Cb 0.02 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3hba n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hba n GLY 100 N 1.52 0.47 0.00 5.00 0.00 -1.23 -4.57 105.19 106.38 3hba n GLY 100 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hba n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hba n ARG 101 N -2.58 2.19 -1.71 1.61 1.74 -1.26 -2.42 116.66 114.23 3hba n ARG 101 Ca -0.19 0.00 -0.58 0.00 -0.77 0.00 0.00 57.85 56.31 3hba n ARG 101 Cb 0.61 -0.86 -0.07 0.00 -1.02 0.00 0.00 32.46 31.12 3hba n ARG 101 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hba n SER 102 N -1.31 2.34 -0.26 0.55 2.88 -1.26 -4.79 113.62 111.78 3hba n SER 102 Ca 0.00 1.08 0.20 0.00 -1.33 0.00 0.00 58.87 58.81 3hba n SER 102 Cb 0.16 -1.13 0.51 0.00 -0.75 0.00 0.00 64.21 63.00 3hba n SER 102 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hba h PRO 103 N 7.17 0.40 -0.35 -1.46 0.11 -1.99 0.12 132.00 136.00 3hba h PRO 103 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3hba h PRO 103 Cb 1.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3hba h PRO 103 CO 0.97 0.26 0.02 0.22 -0.21 0.00 0.00 178.00 179.26 3hba h ASP 104 N 0.41 0.58 -0.74 -2.05 3.58 -1.99 0.09 116.42 116.30 3hba h ASP 104 Ca 0.49 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 3hba h ASP 104 Cb 1.22 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 3hba h ASP 104 CO -0.20 0.73 0.27 0.40 -2.88 0.00 0.00 179.24 177.57 3hba h ILE 105 N 0.42 1.26 -0.62 2.25 1.08 -1.20 -0.67 117.51 120.03 3hba h ILE 105 Ca 0.10 -0.83 -0.09 0.00 -0.39 0.00 0.00 64.86 63.65 3hba h ILE 105 Cb 0.42 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3hba h ILE 105 CO 0.01 0.33 0.03 -0.07 -0.69 0.00 0.00 178.15 177.77 3hba h LEU 106 N 1.07 1.03 -0.25 1.44 3.38 -1.07 -2.00 115.31 118.92 3hba h LEU 106 Ca 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hba h LEU 106 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hba h LEU 106 CO -0.02 1.06 0.09 0.00 0.09 0.00 0.00 178.44 179.66 3hba h ALA 107 N 1.05 0.32 -0.67 1.53 0.00 -0.63 -1.57 119.26 119.28 3hba h ALA 107 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hba h ALA 107 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hba h ALA 107 CO 0.02 -0.07 0.43 1.96 0.00 0.00 0.00 179.25 181.60 3hba h GLN 108 N 0.24 0.90 -0.36 0.00 4.20 -1.04 -2.66 115.11 116.39 3hba h GLN 108 Ca 0.08 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3hba h GLN 108 Cb 0.21 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3hba h GLN 108 CO -0.00 0.61 -0.16 0.00 -0.67 0.00 0.00 178.83 178.61 3hba h ALA 109 N 1.56 0.50 0.00 3.87 0.00 -1.15 -0.12 119.26 123.92 3hba h ALA 109 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hba h ALA 109 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hba h ALA 109 CO -0.05 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.15 3hba n ARG 110 N -4.33 0.11 0.00 0.00 1.74 -0.61 -1.23 116.66 112.35 3hba n ARG 110 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3hba n ARG 110 Cb 0.39 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3hba n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hba n ALA 112 N 0.80 0.00 -0.14 7.54 0.00 -0.06 -0.48 120.51 128.17 3hba n ALA 112 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hba n ALA 112 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 3hba n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hba h LYS 113 N 0.00 0.95 -0.34 0.00 1.63 -1.41 -1.82 116.57 115.58 3hba h LYS 113 Ca 0.00 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 3hba h LYS 113 Cb 0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3hba h LYS 113 CO 0.00 1.12 0.11 -0.91 -3.45 0.00 0.00 179.45 176.31 3hba h ASN 114 N 0.78 0.50 0.00 4.20 2.35 -1.03 -2.84 115.58 119.54 3hba h ASN 114 Ca 0.08 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3hba h ASN 114 Cb 0.88 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3hba h ASN 114 CO 0.08 0.57 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 3hba n ALA 115 N -2.31 1.67 -0.77 -0.83 0.00 -1.10 -4.81 120.51 112.36 3hba n ALA 115 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hba n ALA 115 Cb 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hba n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hba n GLY 116 N -0.55 0.65 3.82 0.00 0.00 -1.07 -2.49 105.19 105.54 3hba n GLY 116 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3hba n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hba s ALA 117 N -2.19 3.21 0.02 4.61 0.00 -0.70 -4.09 121.76 122.62 3hba s ALA 117 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3hba s ALA 117 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 3hba s ALA 117 CO 0.00 0.23 1.15 0.12 0.00 0.00 0.00 175.76 177.26 3hba s PHE 118 N -1.91 3.44 -0.12 0.00 5.36 -0.21 -4.57 117.98 119.97 3hba s PHE 118 Ca 0.55 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 57.91 3hba s PHE 118 Cb -0.12 -3.36 -0.00 0.00 -0.34 0.00 0.00 43.02 39.20 3hba s PHE 118 CO 0.18 -1.02 -0.21 0.00 -1.46 0.00 0.00 175.22 172.70 3hba s VAL 120 N 0.47 2.62 -0.08 0.00 1.01 -0.15 -0.32 120.40 123.95 3hba s VAL 120 Ca -0.14 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.76 3hba s VAL 120 Cb -0.17 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3hba s VAL 120 CO 0.06 0.43 -0.22 0.00 0.00 0.00 0.00 175.10 175.37 3hba s ALA 121 N -0.82 2.29 -0.35 5.51 0.00 0.10 -0.28 121.76 128.21 3hba s ALA 121 Ca 0.13 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3hba s ALA 121 Cb -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3hba s ALA 121 CO 0.03 0.38 0.20 -0.51 0.00 0.00 0.00 175.76 175.85 3hba s LEU 122 N -0.02 4.52 0.02 0.00 1.02 -0.09 -0.27 118.68 123.86 3hba s LEU 122 Ca -0.07 -0.75 -0.05 0.00 0.02 0.00 0.00 54.13 53.29 3hba s LEU 122 Cb -0.15 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 3hba s LEU 122 CO 0.05 -0.31 0.08 0.54 0.02 0.00 0.00 176.35 176.74 3hba s VAL 123 N 1.61 0.11 -0.09 -1.59 0.11 -1.04 -2.00 120.40 117.52 3hba s VAL 123 Ca 0.04 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 3hba s VAL 123 Cb -0.18 -0.62 -0.25 0.00 -1.53 0.00 0.00 36.38 33.79 3hba s VAL 123 CO 0.07 -0.52 0.49 -3.20 -3.33 0.00 0.00 175.10 168.62 3hba n ASN 124 N 1.15 1.65 -4.46 3.54 5.15 0.02 -0.96 115.26 121.36 3hba n ASN 124 Ca -0.21 0.30 -0.44 0.00 -0.60 0.00 0.00 54.58 53.63 3hba n ASN 124 Cb 0.57 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 3hba n ASN 124 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hba s ASP 125 N -6.69 6.24 0.60 1.20 2.15 -1.05 -4.62 116.67 114.51 3hba s ASP 125 Ca -0.15 -0.80 0.38 0.00 0.43 0.00 0.00 52.55 52.40 3hba s ASP 125 Cb 0.07 -2.31 1.82 0.00 -0.30 0.00 0.00 42.92 42.21 3hba s ASP 125 CO 0.79 -0.92 2.16 -0.33 -0.17 0.00 0.00 175.17 176.70 3hba h GLU 126 N 9.02 0.00 -0.00 4.34 5.08 -1.93 -1.90 114.58 129.19 3hba h GLU 126 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hba h GLU 126 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hba h GLU 126 CO 0.97 0.01 -0.11 0.25 -1.00 0.00 0.00 179.01 179.13 3hba n THR 127 N -3.13 0.00 -2.06 1.13 -2.24 -1.26 -4.89 114.28 101.83 3hba n THR 127 Ca -0.01 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 3hba n THR 127 Cb 0.20 -0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3hba n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hba s ALA 128 N -2.60 2.71 -1.18 6.98 0.00 -0.72 -4.91 121.76 122.05 3hba s ALA 128 Ca 0.25 1.03 0.12 0.00 0.00 0.00 0.00 51.96 53.37 3hba s ALA 128 Cb 0.20 -3.45 0.55 0.00 0.00 0.00 0.00 23.12 20.42 3hba s ALA 128 CO 0.50 -1.04 1.34 -0.35 0.00 0.00 0.00 175.76 176.21 3hba n PRO 129 N -1.19 0.07 -0.04 0.00 -0.04 -1.24 -2.04 135.00 130.53 3hba n PRO 129 Ca 0.11 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3hba n PRO 129 Cb 0.48 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.99 3hba n PRO 129 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hba h ILE 130 N 0.00 0.88 -0.16 0.52 6.09 -1.83 -1.84 117.51 121.17 3hba h ILE 130 Ca 0.00 -0.10 0.05 0.00 -1.37 0.00 0.00 64.86 63.43 3hba h ILE 130 Cb 0.17 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3hba h ILE 130 CO 0.00 0.06 0.19 0.07 -3.07 0.00 0.00 178.15 175.39 3hba h LYS 131 N 0.31 0.00 -0.00 2.19 2.10 -1.72 -0.87 116.57 118.57 3hba h LYS 131 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3hba h LYS 131 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3hba h LYS 131 CO -0.06 0.00 -0.24 -0.25 -2.00 0.00 0.00 179.45 176.90 3hba n ASP 132 N -3.75 0.53 -0.11 7.07 8.00 -0.69 -4.27 116.55 123.33 3hba n ASP 132 Ca 0.01 -0.38 -0.21 0.00 0.71 0.00 0.00 54.79 54.92 3hba n ASP 132 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 3hba n ASP 132 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hba n ILE 133 N -1.13 1.19 -1.82 0.53 5.41 -0.38 -5.05 119.36 118.11 3hba n ILE 133 Ca 0.10 -0.34 -0.30 0.00 1.00 0.00 0.00 62.75 63.21 3hba n ILE 133 Cb 0.32 -1.64 0.08 0.00 -0.71 0.00 0.00 39.64 37.68 3hba n ILE 133 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3hba s VAL 134 N -2.40 2.71 -0.00 1.39 -7.23 -0.92 -4.97 120.40 108.98 3hba s VAL 134 Ca -0.30 0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 59.95 3hba s VAL 134 Cb 0.10 -3.18 -0.34 0.00 0.56 0.00 0.00 36.38 33.53 3hba s VAL 134 CO 0.41 -0.30 0.90 0.44 -0.31 0.00 0.00 175.10 176.24 3hba h ASP 135 N -0.94 0.74 -3.77 4.85 3.32 -1.02 -3.47 116.42 116.13 3hba h ASP 135 Ca -0.46 -0.93 -0.35 0.00 0.02 0.00 0.00 57.03 55.32 3hba h ASP 135 Cb 1.29 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.30 3hba h ASP 135 CO 0.64 1.69 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.40 3hba s VAL 136 N -2.57 0.42 -0.19 -1.35 1.01 -0.95 -5.03 120.40 111.73 3hba s VAL 136 Ca -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3hba s VAL 136 Cb 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 3hba s VAL 136 CO 0.91 0.14 -0.02 -0.69 0.00 0.00 0.00 175.10 175.44 3hba s VAL 137 N 0.22 3.85 -0.43 2.92 1.01 -1.26 -0.72 120.40 125.99 3hba s VAL 137 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 3hba s VAL 137 Cb -0.06 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.68 3hba s VAL 137 CO -0.00 0.44 0.26 -0.63 0.00 0.00 0.00 175.10 175.17 3hba s ILE 138 N 0.91 4.07 0.26 2.22 1.01 0.63 -4.95 121.20 125.35 3hba s ILE 138 Ca 0.01 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.79 3hba s ILE 138 Cb -0.14 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 3hba s ILE 138 CO 0.02 -0.58 1.22 -2.84 0.00 0.00 0.00 174.94 172.76 3hba s PRO 139 N 1.37 4.48 0.24 2.79 0.02 -1.26 -2.50 135.00 140.13 3hba s PRO 139 Ca 0.04 1.99 0.10 0.00 0.02 0.00 0.00 61.00 63.15 3hba s PRO 139 Cb -0.24 -3.16 0.21 0.00 0.02 0.00 0.00 34.50 31.33 3hba s PRO 139 CO 0.00 -0.06 1.52 -0.07 -0.33 0.00 0.00 177.00 178.07 3hba h LEU 140 N 4.28 0.00 0.40 -5.54 3.38 -1.32 -3.47 115.31 113.03 3hba h LEU 140 Ca -0.47 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.10 3hba h LEU 140 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hba h LEU 140 CO 0.70 0.70 -0.62 0.54 0.09 0.00 0.00 178.44 179.85 3hba n ARG 141 N -3.63 -4.75 0.09 1.13 1.74 -1.26 -4.88 116.66 105.10 3hba n ARG 141 Ca -0.01 0.71 0.12 0.00 -0.77 0.00 0.00 57.85 57.90 3hba n ARG 141 Cb 0.70 -5.54 0.18 0.00 -1.02 0.00 0.00 32.46 26.78 3hba n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hba h ALA 142 N 0.99 0.68 -0.34 7.54 0.00 -1.92 -3.45 119.26 122.75 3hba h ALA 142 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hba h ALA 142 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hba h ALA 142 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3hba n GLY 143 N 1.28 -1.23 3.84 0.00 0.00 -1.26 -4.85 105.19 102.97 3hba n GLY 143 Ca 0.03 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3hba n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hba s GLU 144 N 0.00 4.06 -0.21 1.61 2.56 -1.26 -5.05 118.70 120.40 3hba s GLU 144 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 54.97 55.76 3hba s GLU 144 Cb 0.00 -2.33 -0.01 0.00 2.00 0.00 0.00 34.13 33.80 3hba s GLU 144 CO 0.00 0.05 -0.06 -1.21 -0.56 0.00 0.00 175.26 173.49 3hba s GLU 145 N -3.18 3.35 0.02 4.30 2.02 -1.26 -4.97 118.70 118.98 3hba s GLU 145 Ca 0.57 -0.64 0.25 0.00 0.02 0.00 0.00 54.97 55.16 3hba s GLU 145 Cb -0.10 -2.96 0.46 0.00 0.10 0.00 0.00 34.13 31.63 3hba s GLU 145 CO 0.18 -0.19 1.38 0.36 0.02 0.00 0.00 175.26 177.01 3hba n LYS 146 N 4.75 0.06 -3.32 1.61 -0.00 -1.26 -4.85 118.16 115.14 3hba n LYS 146 Ca -0.18 0.01 -0.37 0.00 -0.00 0.00 0.00 58.31 57.77 3hba n LYS 146 Cb 0.51 -1.53 -0.06 0.00 -0.00 0.00 0.00 35.03 33.95 3hba n LYS 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hba s ALA 147 N -3.03 3.57 0.35 0.58 0.00 -1.26 -4.97 121.76 116.99 3hba s ALA 147 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3hba s ALA 147 Cb 0.17 -2.58 0.65 0.00 0.00 0.00 0.00 23.12 21.36 3hba s ALA 147 CO 0.71 0.43 1.90 -0.39 0.00 0.00 0.00 175.76 178.41 3hba h VAL 148 N 3.07 1.18 -3.73 0.00 -1.51 -1.83 -3.41 116.25 110.02 3hba h VAL 148 Ca -0.49 -0.70 -0.63 0.00 -1.23 0.00 0.00 66.70 63.66 3hba h VAL 148 Cb 1.20 0.90 -0.15 0.00 -2.13 0.00 0.00 31.29 31.11 3hba h VAL 148 CO 0.65 0.24 -0.29 0.00 -1.23 0.00 0.00 177.57 176.94 3hba s ALA 149 N -5.03 3.56 0.27 5.19 0.00 -1.26 -5.05 121.76 119.44 3hba s ALA 149 Ca -0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3hba s ALA 149 Cb 0.16 -2.65 -0.11 0.00 0.00 0.00 0.00 23.12 20.52 3hba s ALA 149 CO 0.76 -0.60 1.51 0.00 0.00 0.00 0.00 175.76 177.44 3hba s ALA 150 N 1.92 3.68 0.00 0.00 0.00 -1.26 -4.93 121.76 121.18 3hba s ALA 150 Ca 0.14 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3hba s ALA 150 Cb -0.16 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3hba s ALA 150 CO 0.10 -0.86 0.00 0.25 0.00 0.00 0.00 175.76 175.25 3hba n THR 151 N 2.25 0.00 -0.29 0.00 -2.24 -1.26 -4.79 114.28 107.95 3hba n THR 151 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 3hba n THR 151 Cb 0.39 -0.36 0.38 0.00 -2.10 0.00 0.00 70.33 68.65 3hba n THR 151 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hba h LYS 152 N 0.00 0.65 -0.03 -0.78 2.10 -1.88 -2.09 116.57 114.54 3hba h LYS 152 Ca 0.00 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 3hba h LYS 152 Cb 0.00 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 3hba h LYS 152 CO 0.00 0.43 -0.46 0.66 -2.00 0.00 0.00 179.45 178.08 3hba h SER 153 N 0.67 0.07 0.01 7.07 4.64 -1.90 0.17 113.55 124.28 3hba h SER 153 Ca 0.48 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.63 3hba h SER 153 Cb 0.84 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3hba h SER 153 CO -0.24 0.52 -0.57 0.22 -0.87 0.00 0.00 176.83 175.90 3hba h TYR 154 N 0.05 0.55 -0.85 4.77 3.20 -1.74 -2.39 116.97 120.56 3hba h TYR 154 Ca 0.00 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.60 3hba h TYR 154 Cb 0.84 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 3hba h TYR 154 CO 0.00 1.13 0.56 -0.07 -1.64 0.00 0.00 178.16 178.15 3hba h LEU 155 N -0.19 0.92 -1.12 2.82 3.38 -1.17 -2.05 115.31 117.89 3hba h LEU 155 Ca -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3hba h LEU 155 Cb 1.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hba h LEU 155 CO 0.11 0.63 -0.34 0.00 0.09 0.00 0.00 178.44 178.93 3hba h ALA 156 N 1.50 1.27 -0.14 1.53 0.00 -0.65 0.16 119.26 122.92 3hba h ALA 156 Ca 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hba h ALA 156 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hba h ALA 156 CO -0.10 0.51 0.01 1.15 0.00 0.00 0.00 179.25 180.82 3hba h THR 157 N 0.15 1.23 -0.67 0.00 2.02 -0.85 -1.92 112.91 112.88 3hba h THR 157 Ca 0.02 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 3hba h THR 157 Cb 0.68 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3hba h THR 157 CO 0.05 0.22 0.10 -0.07 0.37 0.00 0.00 175.52 176.19 3hba h LEU 158 N -0.01 1.07 -0.63 2.58 3.38 -1.06 -1.43 115.31 119.22 3hba h LEU 158 Ca 0.04 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3hba h LEU 158 Cb 0.33 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hba h LEU 158 CO 0.00 1.07 -0.13 0.77 0.09 0.00 0.00 178.44 180.24 3hba h SER 159 N 1.04 0.95 -0.22 -0.43 4.64 -0.96 -0.53 113.55 118.04 3hba h SER 159 Ca 0.20 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3hba h SER 159 Cb 0.46 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3hba h SER 159 CO 0.02 1.08 0.14 0.00 -0.87 0.00 0.00 176.83 177.19 3hba h ALA 160 N 1.00 0.28 -0.63 5.18 0.00 -1.14 0.36 119.26 124.31 3hba h ALA 160 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hba h ALA 160 Cb 0.68 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3hba h ALA 160 CO 0.05 -0.23 0.36 -0.07 0.00 0.00 0.00 179.25 179.36 3hba h LEU 161 N 0.28 0.54 -0.67 0.00 3.38 -1.02 -0.49 115.31 117.33 3hba h LEU 161 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hba h LEU 161 Cb -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3hba h LEU 161 CO -0.02 0.36 0.33 -0.07 0.09 0.00 0.00 178.44 179.13 3hba h LEU 162 N 0.68 0.87 -0.42 1.67 3.38 -0.84 -1.52 115.31 119.13 3hba h LEU 162 Ca 0.27 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3hba h LEU 162 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hba h LEU 162 CO -0.16 0.76 -0.12 -0.61 0.09 0.00 0.00 178.44 178.40 3hba h GLN 163 N 0.93 0.82 -0.39 1.13 4.15 -0.47 -0.73 115.11 120.55 3hba h GLN 163 Ca 0.23 -0.32 0.07 0.00 0.77 0.00 0.00 58.65 59.40 3hba h GLN 163 Cb 0.11 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3hba h GLN 163 CO -0.03 0.95 -0.00 0.28 -1.93 0.00 0.00 178.83 178.09 3hba h VAL 164 N 0.64 0.71 -0.65 2.39 2.07 -0.90 -0.95 116.25 119.56 3hba h VAL 164 Ca 0.10 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3hba h VAL 164 Cb 0.65 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hba h VAL 164 CO 0.04 0.02 0.39 0.00 0.02 0.00 0.00 177.57 178.04 3hba h ALA 165 N 1.34 0.83 -0.26 1.67 0.00 -1.05 -1.34 119.26 120.45 3hba h ALA 165 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hba h ALA 165 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hba h ALA 165 CO -0.32 0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.34 3hba h ALA 166 N 1.20 0.34 -0.12 0.00 0.00 -0.81 -0.56 119.26 119.31 3hba h ALA 166 Ca 0.23 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3hba h ALA 166 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hba h ALA 166 CO -0.04 -0.06 -0.49 0.87 0.00 0.00 0.00 179.25 179.53 3hba h LYS 167 N 0.27 0.31 0.16 0.00 1.79 -1.09 -0.31 116.57 117.69 3hba h LYS 167 Ca 0.09 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 3hba h LYS 167 Cb 0.18 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3hba h LYS 167 CO -0.01 0.73 -0.07 2.35 -1.08 0.00 0.00 179.45 181.37 3hba h TRP 168 N 0.25 -0.19 0.02 -1.35 7.01 -1.09 -3.36 115.95 117.24 3hba h TRP 168 Ca 0.01 -0.00 -0.21 0.00 2.11 0.00 0.00 58.89 60.80 3hba h TRP 168 Cb 0.95 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 3hba h TRP 168 CO 0.02 0.25 -0.94 1.79 -2.79 0.00 0.00 178.44 176.77 3hba h THR 169 N -0.85 1.55 -1.51 2.65 1.35 -1.18 -3.45 112.91 111.46 3hba h THR 169 Ca -0.02 -2.85 -0.42 0.00 -0.55 0.00 0.00 66.41 62.57 3hba h THR 169 Cb 0.53 2.61 -0.13 0.00 -1.73 0.00 0.00 68.15 69.43 3hba h THR 169 CO 0.04 0.82 -0.42 0.00 -0.25 0.00 0.00 175.52 175.71 3hba n GLN 170 N -3.57 -1.51 -1.68 4.72 6.02 -0.13 -4.92 117.38 116.31 3hba n GLN 170 Ca -0.03 1.16 -0.46 0.00 -0.01 0.00 0.00 57.00 57.66 3hba n GLN 170 Cb 0.86 -5.61 -0.04 0.00 1.02 0.00 0.00 30.24 26.47 3hba n GLN 170 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3hba n ASN 171 N -1.49 3.71 -0.34 1.08 5.15 -1.26 -4.88 115.26 117.23 3hba n ASN 171 Ca -0.21 0.96 -0.00 0.00 -0.60 0.00 0.00 54.58 54.73 3hba n ASN 171 Cb 0.68 -1.44 0.13 0.00 -0.53 0.00 0.00 39.78 38.61 3hba n ASN 171 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3hba h GLU 172 N 9.25 1.09 -0.66 1.20 4.57 -1.95 -0.45 114.58 127.63 3hba h GLU 172 Ca -0.48 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 3hba h GLU 172 Cb 1.25 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 3hba h GLU 172 CO 0.94 0.72 0.22 1.03 -1.18 0.00 0.00 179.01 180.74 3hba h SER 173 N 1.13 0.95 -0.47 1.04 0.87 -1.99 -1.20 113.55 113.88 3hba h SER 173 Ca 0.37 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 3hba h SER 173 Cb 0.05 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3hba h SER 173 CO -0.13 0.90 -0.20 0.25 -0.53 0.00 0.00 176.83 177.11 3hba h LEU 174 N 0.95 0.99 -0.28 2.23 5.85 -1.83 -1.35 115.31 121.87 3hba h LEU 174 Ca 0.21 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3hba h LEU 174 Cb 0.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3hba h LEU 174 CO -0.01 1.16 0.12 0.58 -0.34 0.00 0.00 178.44 179.95 3hba h VAL 175 N 0.81 0.96 -0.82 1.05 2.07 -0.86 -0.22 116.25 119.24 3hba h VAL 175 Ca 0.11 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hba h VAL 175 Cb 0.78 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3hba h VAL 175 CO 0.06 0.05 0.35 -0.33 0.02 0.00 0.00 177.57 177.73 3hba h GLU 176 N 0.26 1.21 -0.50 1.57 5.08 -1.16 -1.43 114.58 119.61 3hba h GLU 176 Ca 0.12 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3hba h GLU 176 Cb 0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3hba h GLU 176 CO -0.10 0.96 0.08 0.00 -1.00 0.00 0.00 179.01 178.95 3hba h ALA 177 N 1.19 0.66 -0.40 3.43 0.00 -0.69 -2.16 119.26 121.30 3hba h ALA 177 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hba h ALA 177 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hba h ALA 177 CO -0.03 0.39 0.07 0.28 0.00 0.00 0.00 179.25 179.96 3hba h VAL 178 N 0.70 1.24 -0.01 0.00 2.07 -0.89 -1.69 116.25 117.67 3hba h VAL 178 Ca 0.15 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3hba h VAL 178 Cb 0.39 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3hba h VAL 178 CO 0.01 0.29 0.01 0.78 0.02 0.00 0.00 177.57 178.68 3hba h ASN 179 N 0.51 0.00 -0.61 0.57 2.35 -1.03 -1.41 115.58 115.96 3hba h ASN 179 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3hba h ASN 179 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3hba h ASN 179 CO 0.01 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.25 3hba n SER 180 N -4.25 3.67 -0.24 5.81 3.41 -0.83 -4.66 113.62 116.53 3hba n SER 180 Ca -0.03 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.56 3hba n SER 180 Cb 0.10 -0.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.73 3hba n SER 180 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hba h LEU 181 N 3.75 0.66 -0.85 1.04 5.85 -0.30 -2.68 115.31 122.79 3hba h LEU 181 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3hba h LEU 181 Cb 0.92 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3hba h LEU 181 CO 0.00 0.45 0.53 -0.65 -0.34 0.00 0.00 178.44 178.43 3hba h PRO 182 N 0.80 0.96 -0.77 5.25 0.11 -1.83 -0.29 132.00 136.23 3hba h PRO 182 Ca 0.29 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3hba h PRO 182 Cb 0.09 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 3hba h PRO 182 CO -0.14 0.63 0.46 0.37 -0.21 0.00 0.00 178.00 179.12 3hba h GLN 183 N 0.99 1.04 -0.39 1.05 4.15 -1.87 0.47 115.11 120.56 3hba h GLN 183 Ca 0.36 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.65 3hba h GLN 183 Cb 0.12 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3hba h GLN 183 CO -0.16 0.73 0.11 0.00 -1.93 0.00 0.00 178.83 177.59 3hba h ALA 184 N 1.25 0.51 -0.46 3.38 0.00 -1.06 0.55 119.26 123.43 3hba h ALA 184 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hba h ALA 184 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hba h ALA 184 CO -0.05 0.17 0.17 -0.07 0.00 0.00 0.00 179.25 179.47 3hba h LEU 185 N 0.48 0.65 -0.91 0.00 3.38 -0.77 -1.45 115.31 116.69 3hba h LEU 185 Ca 0.12 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3hba h LEU 185 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hba h LEU 185 CO -0.00 0.66 -0.05 -0.61 0.09 0.00 0.00 178.44 178.53 3hba h GLN 186 N 0.60 0.74 -0.91 1.13 5.75 -0.77 -1.37 115.11 120.29 3hba h GLN 186 Ca 0.15 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3hba h GLN 186 Cb 0.22 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3hba h GLN 186 CO -0.01 0.79 0.51 0.00 -2.65 0.00 0.00 178.83 177.47 3hba h ALA 187 N 1.25 1.16 -0.67 3.38 0.00 -0.61 -1.30 119.26 122.47 3hba h ALA 187 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hba h ALA 187 Cb 0.50 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hba h ALA 187 CO 0.03 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.04 3hba h ALA 188 N 1.28 0.89 -0.87 0.00 0.00 -0.88 -1.66 119.26 118.03 3hba h ALA 188 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hba h ALA 188 Cb 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3hba h ALA 188 CO -0.05 0.67 0.44 0.28 0.00 0.00 0.00 179.25 180.59 3hba h VAL 189 N 1.04 1.26 0.00 0.00 2.07 -0.90 -2.86 116.25 116.86 3hba h VAL 189 Ca 0.20 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3hba h VAL 189 Cb 0.45 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hba h VAL 189 CO 0.01 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.38 3hba n ASP 190 N -4.33 0.72 -4.77 0.57 8.00 -0.52 -4.86 116.55 111.37 3hba n ASP 190 Ca 0.09 0.57 -0.29 0.00 0.71 0.00 0.00 54.79 55.87 3hba n ASP 190 Cb 0.12 -0.77 0.13 0.00 -0.02 0.00 0.00 41.12 40.58 3hba n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hba s ALA 191 N -3.10 1.79 0.54 2.24 0.00 -0.65 -5.03 121.76 117.54 3hba s ALA 191 Ca 0.11 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 3hba s ALA 191 Cb 0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 3hba s ALA 191 CO 0.57 -2.19 1.08 -1.21 0.00 0.00 0.00 175.76 174.01 3hba s GLU 192 N -5.16 3.47 0.28 0.00 0.41 -1.26 -4.98 118.70 111.47 3hba s GLU 192 Ca 0.63 1.42 -0.29 0.00 -0.41 0.00 0.00 54.97 56.32 3hba s GLU 192 Cb -0.16 -2.04 -0.14 0.00 -1.78 0.00 0.00 34.13 30.01 3hba s GLU 192 CO 0.55 -0.71 1.07 -2.30 -0.49 0.00 0.00 175.26 173.37 3hba n PRO 193 N -1.40 1.44 -0.10 0.39 -0.02 -1.26 -4.93 135.00 129.12 3hba n PRO 193 Ca 0.10 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3hba n PRO 193 Cb 0.52 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 3hba n PRO 193 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hba n GLN 194 N 0.85 0.85 -3.66 -0.52 1.13 -1.26 -4.79 117.38 109.98 3hba n GLN 194 Ca 0.10 0.06 -0.39 0.00 -1.94 0.00 0.00 57.00 54.83 3hba n GLN 194 Cb 0.32 -1.44 -0.11 0.00 0.11 0.00 0.00 30.24 29.12 3hba n GLN 194 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3hba s LEU 195 N -5.82 4.92 0.40 1.08 2.96 -1.26 -4.78 118.68 116.19 3hba s LEU 195 Ca -0.20 -1.42 -0.24 0.00 -0.22 0.00 0.00 54.13 52.05 3hba s LEU 195 Cb 0.06 -1.95 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 3hba s LEU 195 CO 0.60 -0.48 1.05 -0.13 -1.32 0.00 0.00 176.35 176.08 3hba s ARG 196 N 1.40 4.15 0.24 1.98 0.52 -1.26 -4.76 118.95 121.22 3hba s ARG 196 Ca 0.02 1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 56.68 3hba s ARG 196 Cb -0.22 -2.52 0.45 0.00 0.52 0.00 0.00 34.95 33.19 3hba s ARG 196 CO 0.02 -0.15 1.67 0.00 0.02 0.00 0.00 175.30 176.85 3hba h ALA 197 N 2.45 0.89 -0.44 2.13 0.00 -1.88 -0.76 119.26 121.66 3hba h ALA 197 Ca -0.48 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hba h ALA 197 Cb 1.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hba h ALA 197 CO 0.62 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3hba n GLY 198 N -1.37 2.37 0.02 0.00 0.00 -1.26 -4.23 105.19 100.72 3hba n GLY 198 Ca 0.14 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3hba n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hba n SER 199 N 0.58 0.14 -0.30 1.61 3.41 -0.29 -3.37 113.62 115.40 3hba n SER 199 Ca 0.20 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.41 3hba n SER 199 Cb 0.85 -0.55 0.16 0.00 -0.26 0.00 0.00 64.21 64.41 3hba n SER 199 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hba n LEU 200 N -1.63 2.45 -4.70 1.04 4.77 -1.26 -5.00 117.00 112.67 3hba n LEU 200 Ca 0.06 -3.38 -0.44 0.00 -0.03 0.00 0.00 56.01 52.22 3hba n LEU 200 Cb 0.30 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3hba n LEU 200 CO 0.24 0.98 1.29 0.41 -1.33 0.00 0.00 177.39 178.98 3hba n THR 201 N -1.28 0.00 -1.17 -5.08 -1.04 -1.22 -2.53 114.28 101.97 3hba n THR 201 Ca 0.17 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.12 3hba n THR 201 Cb 0.67 -1.78 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 3hba n THR 201 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hba n ASP 202 N 3.72 -4.76 -4.64 8.00 8.00 -1.26 -5.00 116.55 120.61 3hba n ASP 202 Ca 0.16 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.42 3hba n ASP 202 Cb 0.32 -2.76 -0.08 0.00 -0.02 0.00 0.00 41.12 38.58 3hba n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hba s VAL 203 N -1.85 5.15 -0.04 2.53 1.01 -1.05 -4.94 120.40 121.21 3hba s VAL 203 Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3hba s VAL 203 Cb 0.00 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 3hba s VAL 203 CO 0.00 0.18 0.11 0.29 0.00 0.00 0.00 175.10 175.68 3hba n LYS 204 N 4.96 1.38 -4.79 2.72 4.01 -1.26 -4.91 118.16 120.26 3hba n LYS 204 Ca -0.07 -0.04 -0.25 0.00 -0.51 0.00 0.00 58.31 57.44 3hba n LYS 204 Cb 0.51 -1.19 -0.16 0.00 -0.51 0.00 0.00 35.03 33.68 3hba n LYS 204 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3hba s ASN 205 N -3.35 2.03 -0.08 4.39 0.01 -1.26 -1.96 114.94 114.73 3hba s ASN 205 Ca -0.03 -0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 51.73 3hba s ASN 205 Cb 0.04 -0.49 0.03 0.00 0.41 0.00 0.00 41.25 41.24 3hba s ASN 205 CO 0.32 0.16 0.20 -0.22 -1.51 0.00 0.00 177.10 176.04 3hba s LEU 206 N -0.05 1.01 -0.18 0.60 0.20 -0.41 -4.68 118.68 115.17 3hba s LEU 206 Ca -0.01 0.40 -0.07 0.00 0.69 0.00 0.00 54.13 55.14 3hba s LEU 206 Cb -0.10 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.26 3hba s LEU 206 CO 0.01 -0.10 0.04 -0.69 -0.29 0.00 0.00 176.35 175.33 3hba s VAL 207 N 0.49 4.59 -0.29 1.68 1.01 -0.54 -1.44 120.40 125.90 3hba s VAL 207 Ca -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3hba s VAL 207 Cb -0.05 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3hba s VAL 207 CO -0.02 0.46 0.11 -0.69 0.00 0.00 0.00 175.10 174.95 3hba s VAL 208 N 0.44 4.34 -0.13 2.92 1.01 0.77 -0.43 120.40 129.32 3hba s VAL 208 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3hba s VAL 208 Cb -0.13 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3hba s VAL 208 CO 0.01 0.15 -0.06 -0.76 0.00 0.00 0.00 175.10 174.43 3hba s LEU 209 N 1.58 3.13 0.24 3.92 1.43 -0.51 -0.53 118.68 127.94 3hba s LEU 209 Ca 0.05 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3hba s LEU 209 Cb -0.17 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3hba s LEU 209 CO 0.04 0.23 0.39 -0.83 0.23 0.00 0.00 176.35 176.41 3hba s GLY 210 N 0.01 0.80 0.00 -3.19 0.00 -1.06 -1.37 107.32 102.51 3hba s GLY 210 Ca -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.63 3hba s GLY 210 CO 0.03 -0.83 -0.08 -1.60 0.00 0.00 0.00 173.10 170.62 3hba s ARG 211 N -4.01 0.62 7.97 2.90 6.06 -1.26 -1.37 118.95 129.85 3hba s ARG 211 Ca 0.27 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.13 3hba s ARG 211 Cb 0.01 -0.57 0.00 0.00 0.06 0.00 0.00 34.95 34.45 3hba s ARG 211 CO 0.10 0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.46 3hba n GLY 212 N 2.64 3.69 0.34 8.12 0.00 -1.26 -1.29 105.19 117.43 3hba n GLY 212 Ca -0.15 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3hba n GLY 212 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hba h PHE 213 N 0.00 0.68 -0.48 1.61 0.04 -1.98 -1.38 116.94 115.44 3hba h PHE 213 Ca 0.00 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.81 3hba h PHE 213 Cb 0.00 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 3hba h PHE 213 CO 0.00 0.39 0.32 0.78 -0.60 0.00 0.00 178.31 179.20 3hba h GLY 214 N 0.70 0.63 0.97 -1.45 0.00 -1.54 -1.17 103.07 101.21 3hba h GLY 214 Ca 0.26 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3hba h GLY 214 CO -0.08 0.20 -0.21 -1.82 0.00 0.00 0.00 176.54 174.63 3hba h TYR 215 N 0.57 0.85 -0.82 5.60 3.20 -1.17 -0.44 116.97 124.75 3hba h TYR 215 Ca 0.19 -0.23 0.04 0.00 3.14 0.00 0.00 58.73 61.87 3hba h TYR 215 Cb 0.07 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 3hba h TYR 215 CO -0.00 0.96 0.52 0.00 -1.64 0.00 0.00 178.16 178.00 3hba h ALA 216 N 0.76 1.09 -0.71 1.82 0.00 -0.92 -2.16 119.26 119.13 3hba h ALA 216 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hba h ALA 216 Cb 0.76 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hba h ALA 216 CO 0.06 0.33 0.29 0.28 0.00 0.00 0.00 179.25 180.21 3hba h VAL 217 N 1.01 1.25 -0.63 0.00 2.07 -1.20 -3.10 116.25 115.65 3hba h VAL 217 Ca 0.33 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 67.18 3hba h VAL 217 Cb 0.04 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3hba h VAL 217 CO -0.12 0.31 0.42 0.28 0.02 0.00 0.00 177.57 178.48 3hba h SER 218 N 1.01 0.44 -0.33 0.57 0.02 -0.41 -1.56 113.55 113.29 3hba h SER 218 Ca 0.24 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3hba h SER 218 Cb 0.20 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3hba h SER 218 CO -0.02 0.27 0.07 0.11 -1.14 0.00 0.00 176.83 176.12 3hba h LYS 219 N 0.50 0.54 -0.42 3.45 1.79 -1.43 -1.10 116.57 119.91 3hba h LYS 219 Ca 0.29 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.51 3hba h LYS 219 Cb 0.48 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 3hba h LYS 219 CO -0.09 0.61 -0.18 1.49 -1.08 0.00 0.00 179.45 180.21 3hba h GLU 220 N 0.38 0.80 -0.24 3.15 4.57 -1.55 -2.23 114.58 119.46 3hba h GLU 220 Ca 0.10 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 3hba h GLU 220 Cb 0.32 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3hba h GLU 220 CO 0.00 0.92 0.07 0.82 -1.18 0.00 0.00 179.01 179.64 3hba h ILE 221 N 0.70 1.20 -0.70 2.32 2.04 -1.15 -0.87 117.51 121.05 3hba h ILE 221 Ca 0.11 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hba h ILE 221 Cb 0.68 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3hba h ILE 221 CO 0.05 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.86 3hba h ALA 222 N 0.90 0.89 -0.35 1.87 0.00 -1.20 -1.18 119.26 120.19 3hba h ALA 222 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hba h ALA 222 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hba h ALA 222 CO -0.00 0.29 0.18 1.25 0.00 0.00 0.00 179.25 180.97 3hba h LEU 223 N 0.93 0.44 -1.26 0.00 5.85 -1.24 -1.96 115.31 118.08 3hba h LEU 223 Ca 0.26 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3hba h LEU 223 Cb -0.09 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3hba h LEU 223 CO -0.06 0.42 0.07 0.11 -0.34 0.00 0.00 178.44 178.63 3hba h LYS 224 N 0.43 0.58 -0.43 1.25 1.79 -0.84 0.03 116.57 119.37 3hba h LYS 224 Ca 0.12 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 3hba h LYS 224 Cb 0.08 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3hba h LYS 224 CO -0.02 0.55 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.59 3hba h LEU 225 N 0.56 0.92 -0.01 2.94 3.38 -1.00 0.16 115.31 122.26 3hba h LEU 225 Ca 0.13 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hba h LEU 225 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hba h LEU 225 CO 0.00 1.11 0.01 0.11 0.09 0.00 0.00 178.44 179.76 3hba h LYS 226 N 0.77 0.02 -0.36 1.13 1.57 -0.87 -1.06 116.57 117.77 3hba h LYS 226 Ca 0.10 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3hba h LYS 226 Cb 0.80 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3hba h LYS 226 CO 0.07 0.14 0.11 0.93 -0.57 0.00 0.00 179.45 180.13 3hba h GLU 227 N -0.10 0.56 0.00 3.15 5.08 -0.76 -2.73 114.58 119.77 3hba h GLU 227 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hba h GLU 227 Cb 0.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3hba h GLU 227 CO -0.00 0.58 -0.70 1.33 -1.00 0.00 0.00 179.01 179.22 3hba n VAL 228 N -4.64 0.00 0.27 3.13 0.24 0.02 -4.59 118.33 112.76 3hba n VAL 228 Ca -0.01 -0.25 0.03 0.00 -2.04 0.00 0.00 64.34 62.07 3hba n VAL 228 Cb 0.17 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 3hba n VAL 228 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hba n ALA 230 N -0.32 -1.04 -2.80 0.00 0.00 -0.96 -4.96 120.51 110.43 3hba n ALA 230 Ca 0.03 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 3hba n ALA 230 Cb 0.13 -3.66 -0.10 0.00 0.00 0.00 0.00 19.45 15.82 3hba n ALA 230 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hba s ILE 231 N -3.11 4.56 -0.83 0.00 1.01 -1.12 -5.00 121.20 116.70 3hba s ILE 231 Ca 0.37 -0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 3hba s ILE 231 Cb -0.18 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3hba s ILE 231 CO 0.46 0.53 1.63 -1.00 0.00 0.00 0.00 174.94 176.56 3hba s HIS 232 N -0.21 2.08 -0.08 3.97 3.76 -0.83 -3.41 115.29 120.57 3hba s HIS 232 Ca 0.07 0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3hba s HIS 232 Cb -0.12 -4.38 -0.03 0.00 1.11 0.00 0.00 32.58 29.17 3hba s HIS 232 CO 0.02 -2.01 -0.10 0.00 -0.85 0.00 0.00 174.74 171.79 3hba s ALA 233 N 7.41 2.80 -0.02 -1.40 0.00 -1.26 -1.28 121.76 128.01 3hba s ALA 233 Ca 0.54 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3hba s ALA 233 Cb -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3hba s ALA 233 CO 0.05 0.46 -0.06 -2.00 0.00 0.00 0.00 175.76 174.22 3hba s GLU 234 N -0.42 0.60 -0.05 0.00 2.12 -0.52 -4.74 118.70 115.69 3hba s GLU 234 Ca 0.05 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.03 3hba s GLU 234 Cb -0.12 -0.60 -0.05 0.00 0.26 0.00 0.00 34.13 33.62 3hba s GLU 234 CO 0.02 0.06 0.48 0.00 -0.54 0.00 0.00 175.26 175.28 3hba s ALA 235 N 0.21 3.55 0.06 6.30 0.00 -1.26 -0.16 121.76 130.46 3hba s ALA 235 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3hba s ALA 235 Cb -0.07 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3hba s ALA 235 CO -0.00 0.20 -0.05 -0.06 0.00 0.00 0.00 175.76 175.84 3hba s PHE 236 N -0.13 0.64 0.21 0.00 0.08 0.31 -4.93 117.98 114.16 3hba s PHE 236 Ca 0.26 -0.84 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 3hba s PHE 236 Cb -0.16 -0.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.79 3hba s PHE 236 CO 0.13 -0.22 1.35 0.45 -0.10 0.00 0.00 175.22 176.83 3hba s SER 237 N -2.54 6.82 0.58 1.36 0.15 -1.26 -2.57 113.70 116.25 3hba s SER 237 Ca 0.03 2.48 0.37 0.00 0.70 0.00 0.00 55.95 59.52 3hba s SER 237 Cb 0.02 -2.61 1.72 0.00 -1.71 0.00 0.00 66.02 63.43 3hba s SER 237 CO -0.05 -0.58 2.12 0.77 1.20 0.00 0.00 173.24 176.69 3hba h SER 238 N 5.30 0.00 0.32 5.45 4.64 -1.56 0.09 113.55 127.79 3hba h SER 238 Ca -0.45 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.66 3hba h SER 238 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hba h SER 238 CO 0.78 0.02 -0.85 0.00 -0.87 0.00 0.00 176.83 175.90 3hba h ALA 239 N 1.98 0.46 0.00 5.18 0.00 -1.91 -3.36 119.26 121.62 3hba h ALA 239 Ca -0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 3hba h ALA 239 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hba h ALA 239 CO 0.00 0.80 -1.90 0.39 0.00 0.00 0.00 179.25 178.54 3hba n GLU 240 N -3.78 0.65 0.12 0.00 -0.58 -0.89 -4.10 120.64 112.07 3hba n GLU 240 Ca -0.05 0.03 0.20 0.00 -0.42 0.00 0.00 57.16 56.91 3hba n GLU 240 Cb 0.78 -1.63 0.76 0.00 -0.57 0.00 0.00 31.44 30.78 3hba n GLU 240 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3hba h PHE 241 N 0.00 0.00 0.00 -0.32 3.57 -1.14 -3.49 116.94 115.56 3hba h PHE 241 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3hba h PHE 241 Cb 1.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.39 3hba h PHE 241 CO 0.00 0.00 0.00 -0.11 -2.23 0.00 0.00 178.31 175.97 3hba n LEU 242 N -3.65 0.00 0.00 0.59 0.00 -1.26 -5.12 117.00 107.57 3hba n LEU 242 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 3hba n LEU 242 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.99 3hba n LEU 242 CO 0.26 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.41 3hba n SER 254 N 0.38 0.00 -4.06 1.96 2.88 -1.26 -5.17 113.62 108.36 3hba n SER 254 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 3hba n SER 254 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 3hba n SER 254 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3hba s ILE 255 N 0.00 1.17 -0.28 2.46 1.01 0.29 -1.47 121.20 124.38 3hba s ILE 255 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3hba s ILE 255 Cb 0.00 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3hba s ILE 255 CO 0.00 0.35 0.10 -0.22 0.00 0.00 0.00 174.94 175.18 3hba s LEU 256 N 0.35 3.78 -0.36 2.97 2.96 0.42 -0.98 118.68 127.82 3hba s LEU 256 Ca -0.09 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.20 3hba s LEU 256 Cb -0.13 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3hba s LEU 256 CO 0.03 -0.13 0.63 -0.62 -1.32 0.00 0.00 176.35 174.94 3hba s ASP 257 N 1.59 6.42 -0.54 3.68 2.15 0.58 -1.43 116.67 129.13 3hba s ASP 257 Ca 0.05 0.12 -0.21 0.00 0.43 0.00 0.00 52.55 52.94 3hba s ASP 257 Cb -0.16 -2.32 0.06 0.00 -0.30 0.00 0.00 42.92 40.19 3hba s ASP 257 CO 0.04 -0.60 0.77 -0.69 -0.17 0.00 0.00 175.17 174.52 3hba s VAL 258 N 2.70 4.66 -0.61 1.11 1.01 -0.47 -0.30 120.40 128.49 3hba s VAL 258 Ca 0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3hba s VAL 258 Cb -0.14 -4.43 0.16 0.00 0.00 0.00 0.00 36.38 31.96 3hba s VAL 258 CO 0.15 -1.00 0.52 0.00 0.00 0.00 0.00 175.10 174.77 3hba s ILE 260 N 0.86 5.24 -1.25 0.00 -1.09 -1.26 -3.96 121.20 119.73 3hba s ILE 260 Ca 0.10 0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 3hba s ILE 260 Cb -0.22 -3.64 0.17 0.00 -1.58 0.00 0.00 42.46 37.19 3hba s ILE 260 CO -0.03 0.47 1.72 0.54 -1.23 0.00 0.00 174.94 176.41 3hba n ARG 261 N 2.83 3.56 -0.47 2.79 1.74 -1.26 -4.12 116.66 121.72 3hba n ARG 261 Ca -0.13 -3.66 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 3hba n ARG 261 Cb 0.52 -2.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 3hba n ARG 261 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hba n ASP 262 N 4.40 0.57 0.31 0.55 5.75 -1.26 -4.75 116.55 122.12 3hba n ASP 262 Ca 0.38 -0.24 0.19 0.00 -0.01 0.00 0.00 54.79 55.12 3hba n ASP 262 Cb 0.38 0.00 1.04 0.00 -1.03 0.00 0.00 41.12 41.51 3hba n ASP 262 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3hba h GLU 263 N 0.00 0.00 -0.00 0.11 3.07 -1.98 -1.52 114.58 114.26 3hba h GLU 263 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hba h GLU 263 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hba h GLU 263 CO 0.00 0.00 -0.04 -1.13 -1.40 0.00 0.00 179.01 176.44 3hba n SER 264 N -3.34 0.05 0.06 1.42 3.41 -1.26 -4.42 113.62 109.54 3hba n SER 264 Ca -0.02 0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 3hba n SER 264 Cb 0.16 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 3hba n SER 264 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3hba h TYR 265 N 0.02 -0.52 -0.34 7.33 3.20 -1.43 -1.70 116.97 123.54 3hba h TYR 265 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3hba h TYR 265 Cb 0.46 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3hba h TYR 265 CO 0.00 -0.28 0.09 0.78 -1.64 0.00 0.00 178.16 177.11 3hba h GLY 266 N -0.32 0.41 0.98 1.82 0.00 -1.81 0.24 103.07 104.39 3hba h GLY 266 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3hba h GLY 266 CO -0.18 0.00 -0.07 1.48 0.00 0.00 0.00 176.54 177.77 3hba h SER 267 N 0.22 0.77 -0.06 0.19 4.64 -1.83 -3.05 113.55 114.43 3hba h SER 267 Ca 0.16 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3hba h SER 267 Cb 0.15 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3hba h SER 267 CO -0.18 0.94 -0.02 -0.74 -0.87 0.00 0.00 176.83 175.95 3hba h HIS 268 N 0.59 0.14 -0.84 4.77 -0.00 -0.89 -2.30 115.15 116.62 3hba h HIS 268 Ca 0.11 -0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.56 3hba h HIS 268 Cb 0.58 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.90 3hba h HIS 268 CO 0.05 0.47 0.55 -0.24 -0.00 0.00 0.00 177.93 178.75 3hba h VAL 269 N -0.23 0.90 0.00 5.26 3.04 -0.53 -1.22 116.25 123.47 3hba h VAL 269 Ca 0.02 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 65.34 3hba h VAL 269 Cb 0.43 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 3hba h VAL 269 CO 0.01 0.13 -0.62 -0.33 -1.01 0.00 0.00 177.57 175.75 3hba h GLU 270 N 0.73 0.00 -0.59 4.17 4.39 -1.43 -0.24 114.58 121.60 3hba h GLU 270 Ca 0.40 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.03 3hba h GLU 270 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3hba h GLU 270 CO -0.17 0.50 0.08 1.96 -1.16 0.00 0.00 179.01 180.22 3hba h GLN 271 N 0.00 1.00 -0.31 2.33 1.08 -0.70 -2.11 115.11 116.40 3hba h GLN 271 Ca -0.02 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 56.83 3hba h GLN 271 Cb 1.42 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 3hba h GLN 271 CO 0.07 0.95 -0.08 0.82 -0.95 0.00 0.00 178.83 179.63 3hba h ILE 272 N 0.90 1.28 -0.96 2.54 1.08 -1.15 -2.51 117.51 118.68 3hba h ILE 272 Ca 0.18 -1.13 0.13 0.00 -0.39 0.00 0.00 64.86 63.65 3hba h ILE 272 Cb 0.44 1.38 -0.08 0.00 -3.07 0.00 0.00 36.82 35.49 3hba h ILE 272 CO 0.01 0.36 0.61 0.00 -0.69 0.00 0.00 178.15 178.45 3hba h ALA 273 N 0.79 1.63 -0.20 1.87 0.00 -1.00 -0.26 119.26 122.10 3hba h ALA 273 Ca 0.08 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hba h ALA 273 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hba h ALA 273 CO 0.03 0.12 -0.18 -0.97 0.00 0.00 0.00 179.25 178.26 3hba h ASN 274 N 0.89 0.50 -0.71 0.00 -1.24 -1.16 -1.24 115.58 112.61 3hba h ASN 274 Ca 0.48 -0.47 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 3hba h ASN 274 Cb 0.58 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 3hba h ASN 274 CO -0.25 0.86 0.19 -0.37 -1.29 0.00 0.00 177.43 176.57 3hba h VAL 275 N 0.14 1.26 -0.43 2.57 -1.51 -0.98 -1.52 116.25 115.78 3hba h VAL 275 Ca 0.03 -0.95 -0.12 0.00 -1.23 0.00 0.00 66.70 64.43 3hba h VAL 275 Cb 0.71 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 3hba h VAL 275 CO 0.04 0.37 -0.22 0.50 -1.23 0.00 0.00 177.57 177.04 3hba h LYS 276 N 1.06 0.86 0.00 5.19 3.64 -1.05 -2.53 116.57 123.74 3hba h LYS 276 Ca 0.22 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hba h LYS 276 Cb 0.35 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3hba h LYS 276 CO -0.00 0.99 0.00 1.96 -2.27 0.00 0.00 179.45 180.13 3hba h GLN 277 N 0.75 0.00 -0.68 1.90 4.20 -1.19 -2.40 115.11 117.70 3hba h GLN 277 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hba h GLN 277 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3hba h GLN 277 CO 0.06 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.11 3hba n ARG 278 N -2.60 2.78 -0.65 1.46 0.00 -0.58 -4.93 116.66 112.15 3hba n ARG 278 Ca 0.05 -1.62 0.00 0.00 -0.00 0.00 0.00 57.85 56.28 3hba n ARG 278 Cb 0.46 -1.75 0.00 0.00 -0.00 0.00 0.00 32.46 31.17 3hba n ARG 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hba n GLY 279 N 0.55 0.73 3.83 2.89 0.00 -0.90 -5.03 105.19 107.25 3hba n GLY 279 Ca 0.14 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 3hba n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hba s ALA 280 N -2.00 3.15 -0.44 4.61 0.00 -1.04 -4.98 121.76 121.05 3hba s ALA 280 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 3hba s ALA 280 Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.14 3hba s ALA 280 CO 0.00 0.17 1.16 1.21 0.00 0.00 0.00 175.76 178.30 3hba s ASN 281 N -2.31 6.65 -0.11 0.00 2.47 -1.26 -4.71 114.94 115.66 3hba s ASN 281 Ca 0.59 0.61 -0.05 0.00 0.42 0.00 0.00 52.86 54.43 3hba s ASN 281 Cb -0.09 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 3hba s ASN 281 CO 0.16 -1.21 0.08 -0.76 -3.72 0.00 0.00 177.10 171.65 3hba s LEU 282 N 4.44 4.04 -0.02 3.21 2.01 -1.26 -0.55 118.68 130.55 3hba s LEU 282 Ca 0.49 0.31 0.06 0.00 0.01 0.00 0.00 54.13 55.01 3hba s LEU 282 Cb -0.09 -1.97 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 3hba s LEU 282 CO 0.29 0.37 -0.21 -0.63 1.01 0.00 0.00 176.35 177.19 3hba s ILE 283 N -0.82 1.62 -0.12 -0.59 1.09 -0.15 -4.97 121.20 117.26 3hba s ILE 283 Ca 0.13 -0.88 -0.00 0.00 -1.10 0.00 0.00 60.65 58.80 3hba s ILE 283 Cb -0.12 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 39.92 3hba s ILE 283 CO 0.03 0.46 -0.12 -1.00 -0.10 0.00 0.00 174.94 174.21 3hba s HIS 284 N -0.48 2.83 -0.51 3.97 3.76 -1.26 -0.31 115.29 123.29 3hba s HIS 284 Ca 0.08 -0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 54.31 3hba s HIS 284 Cb -0.08 -1.84 0.12 0.00 1.11 0.00 0.00 32.58 31.89 3hba s HIS 284 CO -0.01 -0.14 0.44 -0.51 -0.85 0.00 0.00 174.74 173.67 3hba s LEU 285 N 0.23 5.95 0.37 0.89 1.43 0.59 -4.77 118.68 123.37 3hba s LEU 285 Ca -0.08 -1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 51.28 3hba s LEU 285 Cb -0.15 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3hba s LEU 285 CO 0.05 -0.78 0.59 -1.00 0.23 0.00 0.00 176.35 175.44 3hba s HIS 286 N 1.54 3.51 0.62 0.29 3.76 -1.26 -1.49 115.29 122.27 3hba s HIS 286 Ca 0.04 0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 55.21 3hba s HIS 286 Cb -0.28 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 3hba s HIS 286 CO 0.03 0.05 1.22 -0.65 -0.85 0.00 0.00 174.74 174.54 3hba s GLN 287 N -4.37 2.82 0.43 1.40 -0.21 -1.25 -4.90 119.66 113.57 3hba s GLN 287 Ca 0.41 1.85 0.24 0.00 0.02 0.00 0.00 55.36 57.88 3hba s GLN 287 Cb -0.10 -1.91 0.51 0.00 1.00 0.00 0.00 33.01 32.52 3hba s GLN 287 CO 0.38 -1.33 1.66 1.79 -2.12 0.00 0.00 175.29 175.67 3hba h THR 288 N 0.70 0.18 -3.93 -0.19 1.35 -1.96 -3.44 112.91 105.62 3hba h THR 288 Ca -0.50 -1.12 -0.26 0.00 -0.55 0.00 0.00 66.41 63.98 3hba h THR 288 Cb 1.30 1.97 -0.24 0.00 -1.73 0.00 0.00 68.15 69.45 3hba h THR 288 CO 0.54 0.09 -0.73 -0.55 -0.25 0.00 0.00 175.52 174.63 3hba s SER 289 N -6.16 0.59 0.19 5.36 0.15 -1.26 -4.98 113.70 107.59 3hba s SER 289 Ca 0.05 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.37 3hba s SER 289 Cb 0.06 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.48 3hba s SER 289 CO 0.66 -0.14 1.44 0.00 1.20 0.00 0.00 173.24 176.40 3hba h ALA 290 N 5.06 0.64 -0.88 5.45 0.00 -2.02 -3.33 119.26 124.18 3hba h ALA 290 Ca -0.32 -0.68 -0.38 0.00 0.00 0.00 0.00 54.91 53.53 3hba h ALA 290 Cb 1.20 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.68 3hba h ALA 290 CO 0.44 0.88 0.48 -0.40 0.00 0.00 0.00 179.25 180.65 3hba n ASP 291 N -3.70 4.20 -4.76 0.00 5.75 -1.26 -4.98 116.55 111.79 3hba n ASP 291 Ca -0.03 -3.45 -0.40 0.00 -0.01 0.00 0.00 54.79 50.90 3hba n ASP 291 Cb 0.75 -0.80 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 3hba n ASP 291 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hba s ILE 292 N -3.17 3.24 0.21 2.12 1.01 -1.25 -4.94 121.20 118.41 3hba s ILE 292 Ca 0.56 1.22 -0.32 0.00 0.00 0.00 0.00 60.65 62.11 3hba s ILE 292 Cb 0.46 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 39.02 3hba s ILE 292 CO 0.12 0.28 1.56 1.57 0.00 0.00 0.00 174.94 178.47 3hba n HIS 293 N 1.19 2.41 -0.34 3.97 -0.00 -1.26 -4.79 115.22 116.39 3hba n HIS 293 Ca -0.00 0.28 0.13 0.00 -0.00 0.00 0.00 57.72 58.12 3hba n HIS 293 Cb 0.44 -2.55 0.32 0.00 -0.00 0.00 0.00 29.99 28.19 3hba n HIS 293 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hba h PRO 294 N 5.38 0.68 0.00 1.57 0.11 -1.92 -1.21 132.00 136.62 3hba h PRO 294 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hba h PRO 294 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hba h PRO 294 CO 0.85 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 3hba h ARG 295 N 0.70 0.00 0.00 1.05 2.47 -1.96 -3.04 114.38 113.61 3hba h ARG 295 Ca 0.57 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 3hba h ARG 295 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3hba h ARG 295 CO -0.40 0.00 -0.85 0.44 0.56 0.00 0.00 179.97 179.72 3hba n ILE 296 N -2.66 0.00 -0.31 2.04 -5.35 -0.65 -4.49 119.36 107.94 3hba n ILE 296 Ca 0.03 -0.17 0.18 0.00 -0.27 0.00 0.00 62.75 62.52 3hba n ILE 296 Cb 0.37 0.89 0.44 0.00 -1.74 0.00 0.00 39.64 39.60 3hba n ILE 296 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hba h ALA 297 N 2.08 2.03 -0.39 -1.28 0.00 -1.13 -0.09 119.26 120.47 3hba h ALA 297 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hba h ALA 297 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hba h ALA 297 CO 0.00 -0.38 0.09 -1.35 0.00 0.00 0.00 179.25 177.61 3hba h PRO 298 N 0.53 0.58 -0.08 0.00 0.11 -1.79 -1.17 132.00 130.17 3hba h PRO 298 Ca 0.55 -0.10 -0.18 0.00 0.11 0.00 0.00 66.00 66.38 3hba h PRO 298 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hba h PRO 298 CO -0.28 0.54 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.26 3hba h LEU 299 N 0.56 0.46 -0.62 2.35 4.07 -1.33 -2.14 115.31 118.67 3hba h LEU 299 Ca 0.13 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.71 3hba h LEU 299 Cb 0.23 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3hba h LEU 299 CO -0.00 1.02 0.07 0.00 -1.08 0.00 0.00 178.44 178.45 3hba h ALA 300 N 0.97 0.82 -0.50 1.53 0.00 -1.05 -0.17 119.26 120.86 3hba h ALA 300 Ca -0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3hba h ALA 300 Cb 1.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hba h ALA 300 CO 0.12 0.61 0.12 1.25 0.00 0.00 0.00 179.25 181.35 3hba h LEU 301 N 0.95 0.76 -0.43 0.00 6.46 -1.17 -1.78 115.31 120.10 3hba h LEU 301 Ca 0.18 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 3hba h LEU 301 Cb 0.48 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 3hba h LEU 301 CO 0.02 0.80 0.22 -0.07 -0.62 0.00 0.00 178.44 178.79 3hba h LEU 302 N 0.69 0.55 -0.38 2.25 3.38 -1.22 -1.56 115.31 119.02 3hba h LEU 302 Ca 0.16 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3hba h LEU 302 Cb 0.34 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3hba h LEU 302 CO 0.00 0.50 -0.12 -0.61 0.09 0.00 0.00 178.44 178.30 3hba h GLN 303 N 0.55 -0.03 -0.52 1.13 5.75 -0.84 0.34 115.11 121.50 3hba h GLN 303 Ca 0.15 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3hba h GLN 303 Cb 0.08 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 3hba h GLN 303 CO -0.02 -0.02 0.24 -0.09 -2.65 0.00 0.00 178.83 176.29 3hba h ARG 304 N -0.03 0.77 -0.67 1.69 9.65 -1.23 -3.01 114.38 121.54 3hba h ARG 304 Ca 0.19 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3hba h ARG 304 Cb 0.31 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3hba h ARG 304 CO -0.41 0.65 0.35 0.35 2.80 0.00 0.00 179.97 183.71 3hba h PHE 305 N 0.70 0.92 -0.70 2.20 3.57 -0.83 -1.47 116.94 121.34 3hba h PHE 305 Ca 0.18 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3hba h PHE 305 Cb 0.15 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3hba h PHE 305 CO -0.00 0.66 0.17 1.88 -2.23 0.00 0.00 178.31 178.79 3hba h TYR 306 N 0.94 1.17 -0.18 0.41 0.05 -0.81 0.07 116.97 118.62 3hba h TYR 306 Ca 0.24 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 3hba h TYR 306 Cb 0.05 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3hba h TYR 306 CO 0.01 0.95 -0.06 0.82 -1.05 0.00 0.00 178.16 178.83 3hba h ILE 307 N 1.05 1.30 -0.74 -2.88 2.04 -1.48 -3.21 117.51 113.59 3hba h ILE 307 Ca 0.22 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3hba h ILE 307 Cb 0.37 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3hba h ILE 307 CO 0.00 0.32 0.36 0.44 0.00 0.00 0.00 178.15 179.26 3hba h ASP 308 N 0.05 0.97 0.27 1.72 3.32 -1.03 -3.10 116.42 118.62 3hba h ASP 308 Ca 0.04 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3hba h ASP 308 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3hba h ASP 308 CO 0.02 0.83 -0.36 1.62 -1.72 0.00 0.00 179.24 179.62 3hba h VAL 309 N 1.04 1.28 -0.68 -1.35 3.04 -1.05 -0.89 116.25 117.63 3hba h VAL 309 Ca 0.25 -1.35 0.07 0.00 -1.01 0.00 0.00 66.70 64.67 3hba h VAL 309 Cb 0.12 1.64 -0.06 0.00 -2.01 0.00 0.00 31.29 30.97 3hba h VAL 309 CO -0.03 0.40 0.36 0.00 -1.01 0.00 0.00 177.57 177.29 3hba h ALA 310 N 1.51 0.93 -0.37 3.17 0.00 -1.54 0.14 119.26 123.10 3hba h ALA 310 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3hba h ALA 310 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hba h ALA 310 CO 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.93 3hba h ALA 311 N 1.38 0.64 -0.46 0.00 0.00 -1.44 -2.79 119.26 116.60 3hba h ALA 311 Ca 0.32 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hba h ALA 311 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hba h ALA 311 CO -0.22 0.67 0.24 0.28 0.00 0.00 0.00 179.25 180.22 3hba h VAL 312 N 0.72 1.17 -0.16 0.00 2.07 -0.79 -0.91 116.25 118.35 3hba h VAL 312 Ca 0.06 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3hba h VAL 312 Cb 0.95 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3hba h VAL 312 CO 0.09 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.70 3hba h ALA 313 N 1.09 -0.07 -0.45 1.67 0.00 -0.67 0.03 119.26 120.86 3hba h ALA 313 Ca 0.16 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hba h ALA 313 Cb 0.07 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3hba h ALA 313 CO -0.02 -0.61 0.09 0.82 0.00 0.00 0.00 179.25 179.53 3hba h ILE 314 N -0.19 0.76 0.00 0.00 2.04 -1.31 1.00 117.51 119.80 3hba h ILE 314 Ca 0.11 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3hba h ILE 314 Cb 0.35 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3hba h ILE 314 CO -0.28 0.04 -0.01 0.00 0.00 0.00 0.00 178.15 177.90 3hba h ALA 315 N 1.35 1.68 -0.12 1.87 0.00 -0.36 -0.92 119.26 122.75 3hba h ALA 315 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hba h ALA 315 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hba h ALA 315 CO -0.29 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.26 3hba n LEU 316 N -4.09 1.35 0.00 0.00 4.77 -0.08 -4.90 117.00 114.05 3hba n LEU 316 Ca -0.03 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3hba n LEU 316 Cb 0.10 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hba n LEU 316 CO 0.30 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3hba n GLY 317 N 1.08 0.39 3.56 -0.72 0.00 -0.35 -5.05 105.19 104.10 3hba n GLY 317 Ca 0.16 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3hba n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hba s ILE 318 N -2.00 3.50 -0.56 -0.61 1.01 0.18 -5.00 121.20 117.73 3hba s ILE 318 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3hba s ILE 318 Cb 0.00 -2.47 0.06 0.00 0.01 0.00 0.00 42.46 40.06 3hba s ILE 318 CO 0.00 0.49 0.80 0.21 0.00 0.00 0.00 174.94 176.44 3hba s ASN 319 N -1.11 6.25 0.59 3.58 3.84 -1.26 -2.81 114.94 124.02 3hba s ASN 319 Ca 0.14 -0.80 0.32 0.00 0.21 0.00 0.00 52.86 52.74 3hba s ASN 319 Cb -0.11 -2.36 1.88 0.00 -0.55 0.00 0.00 41.25 40.11 3hba s ASN 319 CO 0.04 -1.13 2.25 1.55 -2.79 0.00 0.00 177.10 177.02 3hba h PRO 320 N 9.23 0.00 0.00 0.43 0.13 -1.86 -1.32 132.00 138.60 3hba h PRO 320 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hba h PRO 320 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hba h PRO 320 CO 1.06 0.02 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.39 3hba h ASP 321 N 0.00 0.00 -0.89 1.44 3.32 -1.97 -3.38 116.42 114.94 3hba h ASP 321 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3hba h ASP 321 Cb 0.05 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.35 3hba h ASP 321 CO 0.00 0.02 -0.77 0.29 -1.72 0.00 0.00 179.24 177.06 3hba n LYS 322 N -3.11 0.77 0.00 3.56 4.01 -0.56 -3.89 118.16 118.94 3hba n LYS 322 Ca 0.02 -2.41 0.16 0.00 -0.51 0.00 0.00 58.31 55.57 3hba n LYS 322 Cb 0.43 -1.35 0.85 0.00 -0.51 0.00 0.00 35.03 34.45 3hba n LYS 322 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94