#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjh n TRP 4 N 0.00 0.00 -2.41 1.24 4.27 -1.26 -4.88 117.44 114.40 3bjh n TRP 4 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3bjh n TRP 4 Cb 0.00 -0.35 -0.02 0.00 -1.36 0.00 0.00 31.31 29.58 3bjh n TRP 4 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3bjh s VAL 5 N -2.72 4.08 0.61 -1.67 1.01 -1.26 -5.01 120.40 115.44 3bjh s VAL 5 Ca 0.23 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.29 3bjh s VAL 5 Cb 0.20 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3bjh s VAL 5 CO 0.50 -0.60 0.99 -2.16 0.00 0.00 0.00 175.10 173.83 3bjh s PRO 6 N 4.41 3.30 0.57 2.72 0.04 -1.26 -4.96 135.00 139.82 3bjh s PRO 6 Ca 0.57 0.47 0.27 0.00 0.04 0.00 0.00 61.00 62.35 3bjh s PRO 6 Cb -0.15 -2.14 1.69 0.00 0.04 0.00 0.00 34.50 33.93 3bjh s PRO 6 CO 0.26 -0.64 2.22 -1.00 0.04 0.00 0.00 177.00 177.88 3bjh h PRO 7 N -0.29 0.00 -0.38 0.56 0.13 -2.01 -2.73 132.00 127.28 3bjh h PRO 7 Ca -0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 3bjh h PRO 7 Cb 1.22 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 3bjh h PRO 7 CO 0.62 0.02 -0.45 0.93 -0.23 0.00 0.00 178.00 178.89 3bjh h GLU 8 N 0.00 -0.34 -1.10 0.86 3.07 -2.01 -1.91 114.58 113.15 3bjh h GLU 8 Ca -0.00 0.02 0.32 0.00 -0.50 0.00 0.00 59.36 59.20 3bjh h GLU 8 Cb 0.04 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3bjh h GLU 8 CO 0.00 -0.23 0.79 0.28 -1.40 0.00 0.00 179.01 178.45 3bjh h VAL 9 N -0.36 0.45 -0.19 3.13 2.07 -1.87 0.74 116.25 120.24 3bjh h VAL 9 Ca 0.12 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.49 3bjh h VAL 9 Cb 0.59 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3bjh h VAL 9 CO -0.56 0.01 -0.48 -0.26 0.02 0.00 0.00 177.57 176.30 3bjh h PHE 10 N 0.03 0.59 -0.10 1.57 0.04 -1.51 -1.50 116.94 116.06 3bjh h PHE 10 Ca 0.53 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 3bjh h PHE 10 Cb 2.06 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 40.09 3bjh h PHE 10 CO -0.00 0.87 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.13 3bjh h ASP 11 N 0.39 0.19 -0.65 2.17 3.32 0.46 -2.73 116.42 119.57 3bjh h ASP 11 Ca 0.02 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3bjh h ASP 11 Cb 0.98 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 3bjh h ASP 11 CO 0.09 0.49 0.37 0.25 -1.72 0.00 0.00 179.24 178.72 3bjh h LEU 12 N -0.12 0.57 -0.45 1.55 5.85 -1.20 -2.96 115.31 118.56 3bjh h LEU 12 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3bjh h LEU 12 Cb 0.40 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3bjh h LEU 12 CO 0.01 0.38 -0.14 1.33 -0.34 0.00 0.00 178.44 179.68 3bjh n VAL 13 N -4.77 0.00 -0.16 1.05 0.24 -0.58 -4.56 118.33 109.56 3bjh n VAL 13 Ca 0.08 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.24 3bjh n VAL 13 Cb 0.14 0.18 0.07 0.00 -1.47 0.00 0.00 33.84 32.76 3bjh n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bjh h ALA 14 N 3.78 0.56 -0.09 2.33 0.00 -1.31 0.15 119.26 124.69 3bjh h ALA 14 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bjh h ALA 14 Cb 0.42 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3bjh h ALA 14 CO 0.00 -0.32 0.01 1.49 0.00 0.00 0.00 179.25 180.43 3bjh h GLU 15 N 0.22 0.15 -0.46 0.00 4.81 -1.83 -1.43 114.58 116.04 3bjh h GLU 15 Ca 0.26 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3bjh h GLU 15 Cb 0.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3bjh h GLU 15 CO -0.34 0.37 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.74 3bjh h ASP 16 N -0.10 0.84 -0.22 1.04 3.32 -1.78 -1.73 116.42 117.79 3bjh h ASP 16 Ca 0.03 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3bjh h ASP 16 Cb 0.29 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3bjh h ASP 16 CO 0.00 0.97 -0.07 0.50 -1.72 0.00 0.00 179.24 178.93 3bjh h LYS 17 N 0.76 -0.02 -0.50 3.56 3.64 -0.59 0.11 116.57 123.54 3bjh h LYS 17 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3bjh h LYS 17 Cb 0.62 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3bjh h LYS 17 CO 0.04 -0.01 0.31 0.00 -2.27 0.00 0.00 179.45 177.52 3bjh h ALA 18 N 1.19 0.63 0.05 5.00 0.00 -1.08 0.47 119.26 125.53 3bjh h ALA 18 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bjh h ALA 18 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3bjh h ALA 18 CO -0.24 0.10 -0.02 -0.09 0.00 0.00 0.00 179.25 179.00 3bjh h ARG 19 N 0.67 -0.07 -0.73 0.00 2.43 -1.08 -2.01 114.38 113.60 3bjh h ARG 19 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3bjh h ARG 19 Cb -0.04 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3bjh h ARG 19 CO -0.04 0.01 0.39 0.00 -1.51 0.00 0.00 179.97 178.83 3bjh h MET 21 N 1.01 1.10 -0.30 0.00 2.86 -0.85 -2.53 114.93 116.21 3bjh h MET 21 Ca 0.26 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3bjh h MET 21 Cb 0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3bjh h MET 21 CO -0.04 0.95 0.11 1.03 1.06 0.00 0.00 176.91 180.02 3bjh h SER 22 N 1.04 0.43 -0.68 1.22 0.87 -0.96 -0.57 113.55 114.90 3bjh h SER 22 Ca 0.23 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3bjh h SER 22 Cb 0.32 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 3bjh h SER 22 CO -0.01 0.50 0.45 -0.33 -0.53 0.00 0.00 176.83 176.92 3bjh h GLU 23 N 0.34 0.84 -0.01 2.24 5.08 -0.86 -3.26 114.58 118.95 3bjh h GLU 23 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3bjh h GLU 23 Cb 0.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bjh h GLU 23 CO -0.01 0.56 -0.14 0.72 -1.00 0.00 0.00 179.01 179.14 3bjh n HIS 24 N -4.45 0.00 -1.87 4.33 8.25 -0.97 -4.99 115.22 115.53 3bjh n HIS 24 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 3bjh n HIS 24 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3bjh n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bjh n GLY 25 N 0.79 0.31 3.75 -1.41 0.00 -0.29 -4.26 105.19 104.08 3bjh n GLY 25 Ca 0.05 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 3bjh n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bjh s THR 26 N -2.23 4.00 0.16 2.61 2.01 -0.82 -4.93 115.64 116.44 3bjh s THR 26 Ca 0.00 1.92 0.04 0.00 0.31 0.00 0.00 61.69 63.96 3bjh s THR 26 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 3bjh s THR 26 CO 0.00 0.42 0.23 0.42 -0.69 0.00 0.00 174.62 175.01 3bjh s THR 27 N -0.90 5.00 0.45 -0.82 -4.23 -1.26 -4.79 115.64 109.09 3bjh s THR 27 Ca 0.43 -0.86 0.12 0.00 -1.18 0.00 0.00 61.69 60.20 3bjh s THR 27 Cb -0.27 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.23 3bjh s THR 27 CO 0.34 -0.12 2.06 -0.61 -0.54 0.00 0.00 174.62 175.75 3bjh h GLN 28 N 2.16 0.23 -0.52 3.99 5.75 -2.00 -1.93 115.11 122.79 3bjh h GLN 28 Ca -0.48 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 3bjh h GLN 28 Cb 1.20 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 3bjh h GLN 28 CO 0.66 0.20 0.24 0.00 -2.65 0.00 0.00 178.83 177.28 3bjh h ALA 29 N 1.83 1.45 -0.51 3.38 0.00 -1.99 0.75 119.26 124.17 3bjh h ALA 29 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3bjh h ALA 29 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bjh h ALA 29 CO -0.00 0.43 -0.15 1.96 0.00 0.00 0.00 179.25 181.49 3bjh h GLN 30 N 0.73 1.00 -0.23 0.00 4.20 -1.76 -1.21 115.11 117.84 3bjh h GLN 30 Ca 0.18 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 3bjh h GLN 30 Cb 0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3bjh h GLN 30 CO -0.02 1.07 0.01 0.82 -0.67 0.00 0.00 178.83 180.04 3bjh h ILE 31 N 0.88 1.25 -0.97 2.54 2.04 -1.16 -2.17 117.51 119.92 3bjh h ILE 31 Ca 0.13 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.21 3bjh h ILE 31 Cb 0.72 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 3bjh h ILE 31 CO 0.06 0.27 0.61 0.44 0.00 0.00 0.00 178.15 179.53 3bjh h ASP 32 N 0.18 0.94 -0.46 1.72 3.32 -0.76 -2.01 116.42 119.36 3bjh h ASP 32 Ca 0.07 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3bjh h ASP 32 Cb 0.39 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3bjh h ASP 32 CO 0.01 0.56 0.19 0.44 -1.72 0.00 0.00 179.24 178.72 3bjh h ASP 33 N 1.05 0.62 -0.71 6.45 3.32 -0.96 -2.06 116.42 124.14 3bjh h ASP 33 Ca 0.45 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3bjh h ASP 33 Cb 0.31 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3bjh h ASP 33 CO -0.21 0.61 0.37 0.58 -1.72 0.00 0.00 179.24 178.86 3bjh h VAL 34 N 0.60 1.23 -0.08 -1.35 2.07 -0.86 0.13 116.25 117.98 3bjh h VAL 34 Ca 0.15 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3bjh h VAL 34 Cb 0.18 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3bjh h VAL 34 CO -0.01 0.26 0.07 0.44 0.02 0.00 0.00 177.57 178.34 3bjh h ASP 35 N 0.98 0.00 -0.24 0.57 5.19 -1.17 0.25 116.42 121.99 3bjh h ASP 35 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3bjh h ASP 35 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3bjh h ASP 35 CO -0.04 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.37 3bjh n LYS 36 N -4.28 1.71 -0.78 3.56 5.02 -0.54 -4.91 118.16 117.94 3bjh n LYS 36 Ca -0.01 -1.09 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 3bjh n LYS 36 Cb 0.18 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3bjh n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bjh n GLY 37 N 1.06 0.58 3.36 0.72 0.00 0.08 -5.04 105.19 105.95 3bjh n GLY 37 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3bjh n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bjh s ASN 38 N -2.22 5.85 -0.04 1.61 0.02 0.34 -4.98 114.94 115.51 3bjh s ASN 38 Ca 0.00 -1.17 -0.02 0.00 -1.02 0.00 0.00 52.86 50.65 3bjh s ASN 38 Cb 0.00 -2.07 0.03 0.00 0.02 0.00 0.00 41.25 39.23 3bjh s ASN 38 CO 0.00 -0.48 0.10 -0.22 0.02 0.00 0.00 177.10 176.52 3bjh s LEU 39 N 1.56 1.16 0.26 0.60 2.96 -1.26 -2.68 118.68 121.28 3bjh s LEU 39 Ca 0.03 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 3bjh s LEU 39 Cb -0.21 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.68 3bjh s LEU 39 CO 0.06 -0.10 -0.13 0.68 -1.32 0.00 0.00 176.35 175.54 3bjh s VAL 40 N 0.71 1.95 -1.55 1.68 -7.23 -1.26 -5.05 120.40 109.66 3bjh s VAL 40 Ca -0.06 -2.24 -0.09 0.00 -1.81 0.00 0.00 61.98 57.79 3bjh s VAL 40 Cb -0.08 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3bjh s VAL 40 CO -0.03 -0.43 2.82 -3.20 -0.31 0.00 0.00 175.10 173.95 3bjh n ASN 41 N -0.54 8.55 -4.55 4.85 5.15 -1.26 -4.76 115.26 122.71 3bjh n ASN 41 Ca -0.06 -2.71 -0.37 0.00 -0.60 0.00 0.00 54.58 50.84 3bjh n ASN 41 Cb 0.61 -1.51 -0.11 0.00 -0.53 0.00 0.00 39.78 38.24 3bjh n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bjh s GLU 42 N 1.38 3.85 0.44 1.20 0.41 -1.26 -5.00 118.70 119.71 3bjh s GLU 42 Ca 0.66 -0.38 0.20 0.00 -0.41 0.00 0.00 54.97 55.04 3bjh s GLU 42 Cb 0.18 -3.44 1.16 0.00 -1.78 0.00 0.00 34.13 30.25 3bjh s GLU 42 CO -0.07 -0.08 1.87 -1.35 -0.49 0.00 0.00 175.26 175.14 3bjh h PRO 43 N 7.94 0.32 0.00 0.39 0.11 -1.96 -0.06 132.00 138.74 3bjh h PRO 43 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3bjh h PRO 43 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3bjh h PRO 43 CO 0.60 0.21 -0.04 0.66 -0.21 0.00 0.00 178.00 179.22 3bjh h SER 44 N 0.32 0.00 0.00 -2.05 4.64 -1.92 0.09 113.55 114.63 3bjh h SER 44 Ca 0.45 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.40 3bjh h SER 44 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 3bjh h SER 44 CO -0.14 0.04 -2.40 0.00 -0.87 0.00 0.00 176.83 173.46 3bjh n ILE 45 N -4.09 1.41 -0.17 0.95 0.13 -0.24 -3.95 119.36 113.40 3bjh n ILE 45 Ca -0.03 -0.59 -0.11 0.00 -1.10 0.00 0.00 62.75 60.93 3bjh n ILE 45 Cb 0.12 -1.24 0.00 0.00 -0.84 0.00 0.00 39.64 37.69 3bjh n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3bjh h THR 46 N 0.00 1.27 0.00 9.51 1.35 -0.97 -1.87 112.91 122.20 3bjh h THR 46 Ca -0.55 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 63.95 3bjh h THR 46 Cb 1.91 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3bjh h THR 46 CO -0.07 0.45 -0.40 0.00 -0.25 0.00 0.00 175.52 175.25 3bjh h TYR 48 N 0.00 0.24 -0.58 0.00 3.20 -1.60 0.64 116.97 118.87 3bjh h TYR 48 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3bjh h TYR 48 Cb 0.79 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3bjh h TYR 48 CO 0.00 0.24 0.29 0.52 -1.64 0.00 0.00 178.16 177.57 3bjh h MET 49 N 0.18 0.83 -0.47 1.82 2.86 -1.09 -0.66 114.93 118.39 3bjh h MET 49 Ca 0.06 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3bjh h MET 49 Cb 0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3bjh h MET 49 CO -0.01 0.66 0.30 -0.92 1.06 0.00 0.00 176.91 178.00 3bjh h TYR 50 N 0.79 0.57 -0.35 -0.22 3.20 -1.30 -1.55 116.97 118.09 3bjh h TYR 50 Ca 0.20 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.13 3bjh h TYR 50 Cb 0.10 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3bjh h TYR 50 CO -0.00 0.35 0.09 0.00 -1.64 0.00 0.00 178.16 176.95 3bjh h LEU 52 N 0.22 0.87 -0.64 0.00 3.38 -0.95 -1.28 115.31 116.91 3bjh h LEU 52 Ca 0.17 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3bjh h LEU 52 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3bjh h LEU 52 CO -0.20 1.27 0.42 -0.07 0.09 0.00 0.00 178.44 179.95 3bjh h LEU 53 N 0.58 0.74 -0.80 1.67 3.38 -0.97 -2.53 115.31 117.37 3bjh h LEU 53 Ca -0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3bjh h LEU 53 Cb 1.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3bjh h LEU 53 CO 0.13 0.54 0.31 -0.08 0.09 0.00 0.00 178.44 179.42 3bjh h GLU 54 N 0.86 1.20 -0.09 1.13 4.22 -0.75 -0.52 114.58 120.62 3bjh h GLU 54 Ca 0.23 -0.22 0.03 0.00 0.08 0.00 0.00 59.36 59.48 3bjh h GLU 54 Cb -0.09 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 3bjh h GLU 54 CO -0.05 0.97 0.07 0.00 -2.18 0.00 0.00 179.01 177.82 3bjh h ALA 55 N 1.17 2.08 -0.40 2.92 0.00 -0.80 -1.39 119.26 122.84 3bjh h ALA 55 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3bjh h ALA 55 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3bjh h ALA 55 CO -0.02 -0.11 0.00 1.19 0.00 0.00 0.00 179.25 180.31 3bjh n PHE 56 N -4.51 1.34 -2.34 0.00 3.72 -0.97 -4.96 117.46 109.75 3bjh n PHE 56 Ca -0.01 -0.79 -0.18 0.00 -0.05 0.00 0.00 57.45 56.42 3bjh n PHE 56 Cb 0.18 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 3bjh n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3bjh n SER 57 N 0.03 -5.18 0.09 4.37 7.64 -0.52 -4.88 113.62 115.16 3bjh n SER 57 Ca 0.23 -0.02 0.12 0.00 1.01 0.00 0.00 58.87 60.21 3bjh n SER 57 Cb 0.98 -4.26 0.09 0.00 -1.01 0.00 0.00 64.21 60.01 3bjh n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3bjh h LEU 58 N -0.01 0.00 -8.29 -3.43 3.38 -1.33 -3.44 115.31 102.19 3bjh h LEU 58 Ca -0.42 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.30 3bjh h LEU 58 Cb 1.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 3bjh h LEU 58 CO 0.50 0.05 -0.68 0.68 0.09 0.00 0.00 178.44 179.08 3bjh s VAL 59 N -3.26 0.32 0.00 1.22 -7.23 -1.24 -1.01 120.40 109.19 3bjh s VAL 59 Ca 0.03 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3bjh s VAL 59 Cb 0.11 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.47 3bjh s VAL 59 CO 0.75 -0.95 0.00 -0.90 -0.31 0.00 0.00 175.10 173.69 3bjh n ASP 60 N 0.07 0.35 0.04 4.85 5.68 -0.93 -4.61 116.55 122.00 3bjh n ASP 60 Ca -0.13 -0.47 0.09 0.00 -0.50 0.00 0.00 54.79 53.78 3bjh n ASP 60 Cb 0.61 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.96 3bjh n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3bjh n ASP 61 N -1.24 0.21 -0.29 -1.12 5.75 -1.26 -2.20 116.55 116.41 3bjh n ASP 61 Ca 0.00 0.55 0.08 0.00 -0.01 0.00 0.00 54.79 55.41 3bjh n ASP 61 Cb 0.00 -0.60 0.15 0.00 -1.03 0.00 0.00 41.12 39.64 3bjh n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bjh n GLU 62 N -1.73 1.25 -2.84 0.11 1.02 -1.26 -4.98 120.64 112.21 3bjh n GLU 62 Ca 0.03 -2.67 -0.21 0.00 -0.02 0.00 0.00 57.16 54.29 3bjh n GLU 62 Cb 0.19 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.20 3bjh n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bjh n ALA 63 N -1.20 -0.87 -2.58 0.62 0.00 -0.93 -4.88 120.51 110.67 3bjh n ALA 63 Ca 0.16 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3bjh n ALA 63 Cb 0.67 -3.18 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 3bjh n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3bjh s ASN 64 N -2.48 7.36 0.04 0.00 0.01 -1.26 -4.69 114.94 113.92 3bjh s ASN 64 Ca 0.21 1.74 -0.22 0.00 -0.71 0.00 0.00 52.86 53.87 3bjh s ASN 64 Cb -0.09 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.93 3bjh s ASN 64 CO 0.26 -0.25 0.66 -0.69 -1.51 0.00 0.00 177.10 175.57 3bjh s VAL 65 N 0.80 4.76 -0.79 1.60 1.01 -1.26 -2.19 120.40 124.33 3bjh s VAL 65 Ca 0.52 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.68 3bjh s VAL 65 Cb -0.23 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.23 3bjh s VAL 65 CO 0.29 0.44 1.12 -0.62 0.00 0.00 0.00 175.10 176.32 3bjh s ASP 66 N -0.44 6.33 0.29 3.32 -1.08 -0.18 -4.91 116.67 120.00 3bjh s ASP 66 Ca 0.33 -1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 51.09 3bjh s ASP 66 Cb -0.20 -2.45 0.41 0.00 -1.46 0.00 0.00 42.92 39.22 3bjh s ASP 66 CO 0.20 -1.41 1.89 -0.08 0.52 0.00 0.00 175.17 176.29 3bjh h GLU 67 N 9.47 0.97 -0.22 4.34 4.81 -1.95 -0.44 114.58 131.56 3bjh h GLU 67 Ca -0.11 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3bjh h GLU 67 Cb 1.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3bjh h GLU 67 CO 1.21 0.75 -0.04 -0.44 -0.73 0.00 0.00 179.01 179.76 3bjh h ASP 68 N 0.96 0.42 -0.66 1.04 3.32 -1.99 0.99 116.42 120.51 3bjh h ASP 68 Ca 0.24 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3bjh h ASP 68 Cb 0.10 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3bjh h ASP 68 CO -0.03 0.67 0.41 0.40 -1.72 0.00 0.00 179.24 178.97 3bjh h ILE 69 N 0.16 1.19 0.15 0.35 2.04 -1.91 -1.24 117.51 118.25 3bjh h ILE 69 Ca 0.06 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3bjh h ILE 69 Cb 0.48 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3bjh h ILE 69 CO 0.02 0.19 -0.07 -0.03 0.00 0.00 0.00 178.15 178.26 3bjh h MET 70 N 0.89 -0.20 -0.82 2.37 4.05 -0.84 -2.07 114.93 118.32 3bjh h MET 70 Ca 0.24 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.73 3bjh h MET 70 Cb -0.04 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 3bjh h MET 70 CO -0.05 -0.05 0.53 -0.07 0.23 0.00 0.00 176.91 177.51 3bjh h LEU 71 N -0.30 0.81 -2.48 3.39 3.38 -0.80 -1.74 115.31 117.57 3bjh h LEU 71 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bjh h LEU 71 Cb 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3bjh h LEU 71 CO 0.03 0.54 -0.00 1.23 0.09 0.00 0.00 178.44 180.33 3bjh h GLY 72 N 0.93 0.00 1.52 0.83 0.00 -0.56 -1.08 103.07 104.71 3bjh h GLY 72 Ca 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 3bjh h GLY 72 CO -0.12 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.76 3bjh h LEU 73 N 0.00 0.56-10.20 3.11 4.07 -0.72 -3.46 115.31 108.67 3bjh h LEU 73 Ca -0.00 -0.14 -0.49 0.00 0.08 0.00 0.00 57.88 57.33 3bjh h LEU 73 Cb 0.01 -0.15 0.02 0.00 1.08 0.00 0.00 40.66 41.62 3bjh h LEU 73 CO 0.00 0.69 0.18 -0.76 -1.08 0.00 0.00 178.44 177.46 3bjh s LEU 74 N -8.97 3.71 0.56 1.67 1.43 -0.41 -5.02 118.68 111.65 3bjh s LEU 74 Ca -0.08 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.99 3bjh s LEU 74 Cb 0.15 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3bjh s LEU 74 CO 0.79 -0.50 1.33 -2.84 0.23 0.00 0.00 176.35 175.35 3bjh s PRO 75 N -4.16 3.09 0.32 1.29 0.02 -1.26 -4.88 135.00 129.42 3bjh s PRO 75 Ca 0.52 2.15 0.09 0.00 0.02 0.00 0.00 61.00 63.78 3bjh s PRO 75 Cb -0.10 -2.19 0.90 0.00 0.02 0.00 0.00 34.50 33.13 3bjh s PRO 75 CO 0.36 -1.20 1.69 -0.44 -0.33 0.00 0.00 177.00 177.07 3bjh h ASP 76 N 1.34 0.47 0.79 2.53 3.32 -1.95 0.27 116.42 123.18 3bjh h ASP 76 Ca -0.51 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3bjh h ASP 76 Cb 1.30 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3bjh h ASP 76 CO 0.57 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3bjh n GLN 77 N -5.02 0.12 0.00 3.56 10.64 -1.26 -2.36 117.38 123.07 3bjh n GLN 77 Ca 0.27 0.30 0.11 0.00 -1.83 0.00 0.00 57.00 55.84 3bjh n GLN 77 Cb 0.80 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 28.41 3bjh n GLN 77 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3bjh n LEU 78 N -1.94 1.47 0.04 2.61 4.77 0.08 -4.66 117.00 119.36 3bjh n LEU 78 Ca 0.03 -0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 55.34 3bjh n LEU 78 Cb 0.25 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3bjh n LEU 78 CO 0.20 0.31 0.52 1.56 -1.33 0.00 0.00 177.39 178.64 3bjh h GLN 79 N 1.13 0.42 0.16 3.23 4.20 -1.42 -1.20 115.11 121.62 3bjh h GLN 79 Ca 0.00 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3bjh h GLN 79 Cb 0.62 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3bjh h GLN 79 CO 0.00 0.84 -0.20 1.49 -0.67 0.00 0.00 178.83 180.29 3bjh h GLU 80 N 0.32 -0.40 -0.36 1.46 4.81 -1.83 -0.15 114.58 118.44 3bjh h GLU 80 Ca 0.01 0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 3bjh h GLU 80 Cb 1.03 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3bjh h GLU 80 CO 0.09 -0.26 -0.37 -0.09 -0.73 0.00 0.00 179.01 177.65 3bjh h ARG 81 N -0.41 0.84 -0.96 1.92 2.43 -1.86 -2.76 114.38 113.57 3bjh h ARG 81 Ca 0.01 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3bjh h ARG 81 Cb 0.41 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 3bjh h ARG 81 CO -0.08 1.07 0.62 0.00 -1.51 0.00 0.00 179.97 180.06 3bjh h ALA 82 N 0.88 1.22 -0.99 2.80 0.00 -1.12 -1.79 119.26 120.27 3bjh h ALA 82 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bjh h ALA 82 Cb 0.93 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3bjh h ALA 82 CO 0.09 0.64 0.64 0.37 0.00 0.00 0.00 179.25 180.99 3bjh h GLN 83 N 1.31 1.31 -0.54 0.00 4.15 -0.81 0.44 115.11 120.99 3bjh h GLN 83 Ca 0.35 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 3bjh h GLN 83 Cb -0.12 -0.29 -0.02 0.00 0.21 0.00 0.00 27.48 27.26 3bjh h GLN 83 CO -0.07 0.88 0.17 1.03 -1.93 0.00 0.00 178.83 178.91 3bjh h SER 84 N 1.35 0.78 -0.84 -0.69 0.87 -1.22 -1.76 113.55 112.04 3bjh h SER 84 Ca 0.36 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3bjh h SER 84 Cb -0.13 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.58 3bjh h SER 84 CO -0.08 0.78 0.52 0.58 -0.53 0.00 0.00 176.83 178.11 3bjh h VAL 85 N 0.74 1.23 0.00 2.23 2.07 -0.46 -1.95 116.25 120.11 3bjh h VAL 85 Ca 0.17 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3bjh h VAL 85 Cb 0.28 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3bjh h VAL 85 CO -0.01 0.24 -0.46 0.24 0.02 0.00 0.00 177.57 177.60 3bjh h MET 86 N 1.15 0.00 -0.68 1.57 2.07 -0.74 -0.65 114.93 117.65 3bjh h MET 86 Ca 0.30 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.96 3bjh h MET 86 Cb -0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 29.63 3bjh h MET 86 CO -0.06 0.46 0.45 0.78 1.07 0.00 0.00 176.91 179.61 3bjh h GLY 87 N 1.42 0.94 1.24 8.32 0.00 -0.54 -1.61 103.07 112.84 3bjh h GLY 87 Ca -0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 47.33 46.66 3bjh h GLY 87 CO 0.06 0.30 -1.51 1.70 0.00 0.00 0.00 176.54 177.09 3bjh h LYS 88 N 0.85 0.50 0.00 4.80 3.64 -1.11 -3.40 116.57 121.86 3bjh h LYS 88 Ca 0.26 -0.86 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3bjh h LYS 88 Cb 0.00 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3bjh h LYS 88 CO -0.07 1.41 -1.12 0.00 -2.27 0.00 0.00 179.45 177.40 3bjh s LEU 90 N -3.34 3.16 0.78 0.00 1.43 -0.61 -4.30 118.68 115.80 3bjh s LEU 90 Ca 0.05 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3bjh s LEU 90 Cb 0.16 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.52 3bjh s LEU 90 CO 0.85 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.52 3bjh s PRO 91 N -2.37 2.21 0.72 1.29 0.04 -1.26 -4.79 135.00 130.84 3bjh s PRO 91 Ca 0.23 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 3bjh s PRO 91 Cb -0.11 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3bjh s PRO 91 CO 0.15 -1.64 1.09 0.95 0.04 0.00 0.00 177.00 177.60 3bjh s THR 92 N -2.95 3.42 -0.05 1.26 -4.23 -1.26 -5.07 115.64 106.75 3bjh s THR 92 Ca 0.61 0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 61.43 3bjh s THR 92 Cb -0.16 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3bjh s THR 92 CO 0.56 -0.54 0.47 -0.94 -0.54 0.00 0.00 174.62 173.63 3bjh s SER 93 N -3.17 -0.40 0.00 3.99 1.04 -1.26 -5.04 113.70 108.85 3bjh s SER 93 Ca 0.63 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3bjh s SER 93 Cb -0.18 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3bjh s SER 93 CO 0.51 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.86 3bjh n GLY 94 N 1.32 -1.98 0.14 7.32 0.00 -1.26 -4.23 105.19 106.50 3bjh n GLY 94 Ca -0.20 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.53 3bjh n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bjh h SER 95 N 0.00 0.00 -5.35 1.61 4.64 -1.98 -3.45 113.55 109.02 3bjh h SER 95 Ca 0.00 -0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.44 3bjh h SER 95 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3bjh h SER 95 CO 0.00 0.01 0.53 1.51 -0.87 0.00 0.00 176.83 178.01 3bjh s ASP 96 N -5.42 -0.03 0.25 4.97 1.47 -1.26 -5.01 116.67 111.64 3bjh s ASP 96 Ca 0.03 -0.69 -0.05 0.00 1.18 0.00 0.00 52.55 53.02 3bjh s ASP 96 Cb 0.09 0.54 0.33 0.00 -0.34 0.00 0.00 42.92 43.54 3bjh s ASP 96 CO 0.74 -1.06 1.89 0.78 0.68 0.00 0.00 175.17 178.20 3bjh h ASN 97 N 2.00 1.02 -0.27 2.11 2.35 -1.92 0.02 115.58 120.89 3bjh h ASN 97 Ca -0.28 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 3bjh h ASN 97 Cb 1.22 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 3bjh h ASN 97 CO 0.35 0.69 -0.39 0.00 -1.65 0.00 0.00 177.43 176.42 3bjh h ASN 99 N 0.49 0.06 -0.59 0.00 -1.24 -1.83 -0.84 115.58 111.62 3bjh h ASN 99 Ca 0.03 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3bjh h ASN 99 Cb 0.99 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.99 3bjh h ASN 99 CO 0.09 0.46 0.35 0.11 -1.29 0.00 0.00 177.43 177.15 3bjh h LYS 100 N 0.05 0.80 -0.16 6.67 1.57 -0.83 -1.12 116.57 123.54 3bjh h LYS 100 Ca 0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3bjh h LYS 100 Cb 0.74 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3bjh h LYS 100 CO 0.05 0.58 -0.50 0.82 -0.57 0.00 0.00 179.45 179.83 3bjh h ILE 101 N 0.79 1.33 -0.17 1.86 1.08 -1.10 -0.93 117.51 120.38 3bjh h ILE 101 Ca 0.21 -1.73 0.05 0.00 -0.39 0.00 0.00 64.86 63.00 3bjh h ILE 101 Cb -0.02 1.75 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 3bjh h ILE 101 CO -0.04 0.53 -0.15 0.22 -0.69 0.00 0.00 178.15 178.02 3bjh h TYR 102 N 0.34 -0.37 -0.85 1.37 3.20 -0.86 0.33 116.97 120.13 3bjh h TYR 102 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3bjh h TYR 102 Cb 1.00 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 3bjh h TYR 102 CO 0.03 -0.21 0.42 -0.91 -1.64 0.00 0.00 178.16 175.84 3bjh h ASN 103 N -0.16 1.11 -0.00 -2.11 -0.26 -0.96 -1.31 115.58 111.89 3bjh h ASN 103 Ca 0.11 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3bjh h ASN 103 Cb 0.32 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3bjh h ASN 103 CO -0.26 0.93 0.00 0.25 -1.06 0.00 0.00 177.43 177.29 3bjh h LEU 104 N 1.21 0.01 -0.58 1.61 5.85 -0.91 -1.77 115.31 120.72 3bjh h LEU 104 Ca 0.29 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3bjh h LEU 104 Cb 0.11 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3bjh h LEU 104 CO -0.04 0.13 0.36 0.00 -0.34 0.00 0.00 178.44 178.55 3bjh h ALA 105 N 0.87 0.75 -0.87 1.25 0.00 -0.70 0.17 119.26 120.74 3bjh h ALA 105 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3bjh h ALA 105 Cb 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3bjh h ALA 105 CO -0.00 0.09 0.57 0.87 0.00 0.00 0.00 179.25 180.77 3bjh h LYS 106 N 0.70 1.11 -0.34 0.00 1.79 -1.18 -0.53 116.57 118.11 3bjh h LYS 106 Ca 0.24 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 3bjh h LYS 106 Cb 0.02 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 3bjh h LYS 106 CO -0.10 0.74 -0.07 0.00 -1.08 0.00 0.00 179.45 178.94 3bjh h VAL 108 N 0.44 1.27 -0.44 0.00 2.07 -0.79 -2.23 116.25 116.57 3bjh h VAL 108 Ca 0.09 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3bjh h VAL 108 Cb 0.56 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3bjh h VAL 108 CO 0.03 0.36 0.10 1.56 0.02 0.00 0.00 177.57 179.64 3bjh h GLN 109 N 0.41 0.66 0.00 1.57 4.20 -1.04 -0.36 115.11 120.55 3bjh h GLN 109 Ca 0.09 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3bjh h GLN 109 Cb 0.55 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3bjh h GLN 109 CO 0.03 0.61 -0.32 0.93 -0.67 0.00 0.00 178.83 179.41 3bjh h GLU 110 N 0.64 0.00 0.00 1.46 3.07 -1.07 -3.34 114.58 115.35 3bjh h GLU 110 Ca 0.15 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.69 3bjh h GLU 110 Cb 0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 3bjh h GLU 110 CO -0.00 0.32 -2.24 0.43 -1.40 0.00 0.00 179.01 176.11 3bjh n SER 111 N -3.66 0.13 -3.71 1.42 7.64 -0.78 -4.97 113.62 109.69 3bjh n SER 111 Ca -0.01 0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 3bjh n SER 111 Cb 0.43 0.95 -0.13 0.00 -1.01 0.00 0.00 64.21 64.45 3bjh n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjh s ALA 112 N -2.62 -0.64 0.11 -0.43 0.00 -0.21 -5.04 121.76 112.93 3bjh s ALA 112 Ca -0.09 1.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 3bjh s ALA 112 Cb 0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3bjh s ALA 112 CO 0.84 -0.28 1.59 -1.35 0.00 0.00 0.00 175.76 176.56 3bjh h PRO 113 N 7.36 0.52 -0.58 0.00 0.11 -1.84 -3.35 132.00 134.21 3bjh h PRO 113 Ca -0.36 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bjh h PRO 113 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3bjh h PRO 113 CO 0.33 0.60 0.00 -0.25 -0.21 0.00 0.00 178.00 178.46 3bjh n ASP 114 N -4.63 3.24 -0.10 -2.05 9.92 -1.26 -4.67 116.55 117.00 3bjh n ASP 114 Ca -0.02 -1.99 -0.14 0.00 -0.53 0.00 0.00 54.79 52.11 3bjh n ASP 114 Cb 0.20 -0.39 -0.05 0.00 -0.64 0.00 0.00 41.12 40.25 3bjh n ASP 114 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3bjh n VAL 115 N 1.28 1.50 -2.40 2.53 0.31 -1.26 -4.87 118.33 115.43 3bjh n VAL 115 Ca 0.20 0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 64.13 3bjh n VAL 115 Cb 0.52 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 3bjh n VAL 115 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3bjh s TRP 116 N -2.75 3.44 -0.02 3.52 -0.11 -1.26 -5.02 118.94 116.75 3bjh s TRP 116 Ca -0.30 1.39 -0.08 0.00 1.22 0.00 0.00 56.10 58.32 3bjh s TRP 116 Cb 0.07 -3.42 0.01 0.00 -1.50 0.00 0.00 33.47 28.63 3bjh s TRP 116 CO 0.43 -1.20 0.18 -0.59 -4.62 0.00 0.00 176.95 171.15 3bjh s PHE 117 N 0.34 -0.06 -0.10 5.86 -0.12 -1.26 -5.00 117.98 117.64 3bjh s PHE 117 Ca 0.55 0.10 0.01 0.00 -0.05 0.00 0.00 56.93 57.53 3bjh s PHE 117 Cb -0.31 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.10 3bjh s PHE 117 CO 0.34 -0.26 -0.12 0.08 -0.05 0.00 0.00 175.22 175.21 3bjh s VAL 118 N -1.01 1.23 -2.86 -2.49 1.01 -1.26 -5.06 120.40 109.96 3bjh s VAL 118 Ca -0.11 -0.47 0.25 0.00 0.00 0.00 0.00 61.98 61.65 3bjh s VAL 118 Cb -0.06 -1.17 0.29 0.00 0.00 0.00 0.00 36.38 35.45 3bjh s VAL 118 CO 0.02 0.39 1.39 -0.38 0.00 0.00 0.00 175.10 176.52