#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2olp n THR 2 N 0.00 0.00 -2.61 12.58 -1.04 -1.26 -4.85 114.28 117.10 2olp n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2olp n THR 2 Cb 0.00 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 2olp n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2olp s LEU 3 N 0.00 4.40 0.78 -4.42 1.43 -1.26 -5.02 118.68 114.59 2olp s LEU 3 Ca 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 2olp s LEU 3 Cb 0.00 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.70 2olp s LEU 3 CO 0.00 -0.29 1.15 0.42 0.23 0.00 0.00 176.35 177.86 2olp s THR 4 N 0.78 2.49 0.13 5.49 -4.23 -1.26 -4.81 115.64 114.23 2olp s THR 4 Ca 0.53 0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 61.00 2olp s THR 4 Cb -0.24 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 2olp s THR 4 CO 0.29 -0.21 1.70 0.78 -0.54 0.00 0.00 174.62 176.64 2olp h ASN 5 N -0.94 -0.21 -0.80 3.99 2.35 -2.00 -1.55 115.58 116.42 2olp h ASN 5 Ca -0.46 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.42 2olp h ASN 5 Cb 1.30 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.76 2olp h ASN 5 CO 0.65 -0.08 0.52 -0.65 -1.65 0.00 0.00 177.43 176.23 2olp h PRO 6 N -0.01 0.84 -0.36 0.81 0.11 -1.99 -0.80 132.00 130.61 2olp h PRO 6 Ca 0.10 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2olp h PRO 6 Cb 0.17 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 2olp h PRO 6 CO -0.22 0.56 0.20 1.96 -0.21 0.00 0.00 178.00 180.29 2olp h GLN 7 N 0.87 0.40 -0.62 1.05 4.20 -1.83 -0.06 115.11 119.12 2olp h GLN 7 Ca 0.35 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 2olp h GLN 7 Cb 0.24 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2olp h GLN 7 CO -0.12 0.26 0.29 0.87 -0.67 0.00 0.00 178.83 179.46 2olp h LYS 8 N 0.41 0.89 -0.87 1.46 1.57 -0.95 -1.13 116.57 117.95 2olp h LYS 8 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2olp h LYS 8 Cb 0.02 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 2olp h LYS 8 CO -0.07 0.72 0.43 0.00 -0.57 0.00 0.00 179.45 179.96 2olp h ALA 9 N 1.13 1.12 -0.41 3.86 0.00 -1.00 -0.86 119.26 123.09 2olp h ALA 9 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2olp h ALA 9 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2olp h ALA 9 CO -0.03 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2olp h ALA 10 N 1.24 1.20 -0.12 0.00 0.00 -0.36 -0.44 119.26 120.77 2olp h ALA 10 Ca 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2olp h ALA 10 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2olp h ALA 10 CO -0.04 0.52 0.03 0.82 0.00 0.00 0.00 179.25 180.59 2olp h ILE 11 N 0.63 1.19 -0.47 0.00 2.04 -0.81 -1.49 117.51 118.60 2olp h ILE 11 Ca 0.13 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2olp h ILE 11 Cb 0.42 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2olp h ILE 11 CO 0.02 0.17 0.20 0.03 0.00 0.00 0.00 178.15 178.58 2olp h ARG 12 N -0.00 0.40 -0.31 2.37 3.08 -1.02 -0.72 114.38 118.16 2olp h ARG 12 Ca 0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2olp h ARG 12 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2olp h ARG 12 CO -0.00 0.26 0.07 1.03 -1.07 0.00 0.00 179.97 180.26 2olp h SER 13 N 0.41 0.48 0.08 7.04 0.87 -1.00 -0.45 113.55 120.98 2olp h SER 13 Ca 0.21 -0.24 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 2olp h SER 13 Cb 0.16 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2olp h SER 13 CO -0.18 0.59 -0.65 0.77 -0.53 0.00 0.00 176.83 176.83 2olp h SER 14 N 0.34 0.62 -0.57 6.23 4.64 -1.21 -2.29 113.55 121.32 2olp h SER 14 Ca 0.10 -0.37 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2olp h SER 14 Cb 0.30 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2olp h SER 14 CO 0.00 1.11 0.14 -0.25 -0.87 0.00 0.00 176.83 176.96 2olp h TRP 15 N 0.39 0.99 -0.61 4.77 2.91 -1.09 -2.04 115.95 121.28 2olp h TRP 15 Ca -0.01 -0.10 -0.04 0.00 1.13 0.00 0.00 58.89 59.86 2olp h TRP 15 Cb 1.22 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 2olp h TRP 15 CO 0.05 0.82 0.23 1.03 -1.03 0.00 0.00 178.44 179.55 2olp h SER 16 N 0.91 0.82 -0.41 2.65 0.87 -0.86 0.10 113.55 117.63 2olp h SER 16 Ca 0.20 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 2olp h SER 16 Cb 0.33 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2olp h SER 16 CO 0.00 0.74 -0.16 0.11 -0.53 0.00 0.00 176.83 176.99 2olp h LYS 17 N 0.88 0.89 -0.59 2.24 1.57 -1.02 -1.16 116.57 119.37 2olp h LYS 17 Ca 0.21 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2olp h LYS 17 Cb 0.19 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2olp h LYS 17 CO -0.02 0.98 0.36 0.35 -0.57 0.00 0.00 179.45 180.55 2olp h PHE 18 N 0.79 0.66 0.00 -1.35 3.57 -0.97 -2.66 116.94 116.98 2olp h PHE 18 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2olp h PHE 18 Cb 0.69 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2olp h PHE 18 CO 0.04 0.37 0.00 -1.33 -2.23 0.00 0.00 178.31 175.16 2olp n MET 19 N -4.76 0.10 0.29 1.11 2.81 0.32 -2.31 117.12 114.68 2olp n MET 19 Ca 0.05 0.33 0.14 0.00 -1.81 0.00 0.00 57.70 56.42 2olp n MET 19 Cb 0.09 -1.69 0.86 0.00 -0.71 0.00 0.00 33.22 31.78 2olp n MET 19 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2olp h ASP 20 N 0.00 0.00 -1.67 7.83 3.32 -0.86 -2.83 116.42 122.21 2olp h ASP 20 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2olp h ASP 20 Cb 0.31 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.46 2olp h ASP 20 CO 0.00 0.02 -1.17 0.59 -1.72 0.00 0.00 179.24 176.96 2olp n ASN 21 N -3.88 1.23 0.13 6.45 3.02 -0.98 -5.01 115.26 116.23 2olp n ASN 21 Ca -0.03 -2.95 -0.14 0.00 -0.03 0.00 0.00 54.58 51.44 2olp n ASN 21 Cb 0.11 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 2olp n ASN 21 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2olp h GLY 22 N 2.99 -0.30 1.01 7.41 0.00 -1.35 0.21 103.07 113.05 2olp h GLY 22 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2olp h GLY 22 CO 0.52 -0.11 0.33 -2.08 0.00 0.00 0.00 176.54 175.20 2olp h VAL 23 N -0.41 1.24 -0.45 4.60 2.07 -1.88 0.11 116.25 121.53 2olp h VAL 23 Ca -0.03 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 2olp h VAL 23 Cb 0.31 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2olp h VAL 23 CO 0.05 0.28 -0.21 -1.28 0.02 0.00 0.00 177.57 176.43 2olp h SER 24 N 1.00 0.95 -0.35 0.57 0.87 -1.90 -2.45 113.55 112.25 2olp h SER 24 Ca 0.24 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 2olp h SER 24 Cb 0.14 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2olp h SER 24 CO -0.03 1.14 -0.19 0.78 -0.53 0.00 0.00 176.83 178.00 2olp h ASN 25 N 0.76 0.84 -0.70 6.23 2.35 -0.33 -1.96 115.58 122.78 2olp h ASN 25 Ca 0.10 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2olp h ASN 25 Cb 0.78 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2olp h ASN 25 CO 0.06 1.01 0.43 1.23 -1.65 0.00 0.00 177.43 178.52 2olp h GLY 26 N 0.95 1.00 1.00 2.83 0.00 -0.71 0.63 103.07 108.79 2olp h GLY 26 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.12 2olp h GLY 26 CO 0.05 0.27 0.43 1.46 0.00 0.00 0.00 176.54 178.76 2olp h GLN 27 N 0.85 0.86 -0.70 4.80 4.20 -1.24 -1.62 115.11 122.25 2olp h GLN 27 Ca 0.28 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 2olp h GLN 27 Cb 0.03 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 2olp h GLN 27 CO -0.11 0.57 0.21 0.78 -0.67 0.00 0.00 178.83 179.61 2olp h GLY 28 N 0.88 1.17 0.22 3.46 0.00 -0.93 -1.16 103.07 106.72 2olp h GLY 28 Ca 0.24 -0.69 0.07 0.00 0.00 0.00 0.00 47.33 46.95 2olp h GLY 28 CO -0.05 0.65 -0.17 -2.75 0.00 0.00 0.00 176.54 174.21 2olp h PHE 29 N 1.05 -0.44 -0.71 5.60 3.57 -0.67 -1.28 116.94 124.05 2olp h PHE 29 Ca 0.23 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2olp h PHE 29 Cb 0.31 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2olp h PHE 29 CO 0.02 -0.25 0.22 1.88 -2.23 0.00 0.00 178.31 177.96 2olp h TYR 30 N -0.15 1.14 -0.46 0.41 -1.99 -0.91 -0.07 116.97 114.95 2olp h TYR 30 Ca 0.15 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 2olp h TYR 30 Cb 0.38 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 2olp h TYR 30 CO -0.36 0.90 0.20 0.52 -0.00 0.00 0.00 178.16 179.42 2olp h MET 31 N 1.06 0.68 -0.43 4.88 2.86 -0.91 -0.42 114.93 122.65 2olp h MET 31 Ca 0.23 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2olp h MET 31 Cb 0.30 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2olp h MET 31 CO -0.01 0.61 0.27 -0.44 1.06 0.00 0.00 176.91 178.40 2olp h ASP 32 N 0.61 0.44 -0.27 1.22 5.19 -0.83 -1.21 116.42 121.57 2olp h ASP 32 Ca 0.16 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2olp h ASP 32 Cb 0.17 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2olp h ASP 32 CO -0.02 0.32 0.11 0.25 -3.12 0.00 0.00 179.24 176.79 2olp h LEU 33 N 0.54 0.15 -0.67 1.55 5.85 -0.61 -0.20 115.31 121.92 2olp h LEU 33 Ca 0.17 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 2olp h LEU 33 Cb -0.02 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2olp h LEU 33 CO -0.06 0.12 -0.57 -0.26 -0.34 0.00 0.00 178.44 177.33 2olp h PHE 34 N 0.25 0.00 -0.04 1.25 0.04 -0.98 0.15 116.94 117.60 2olp h PHE 34 Ca 0.11 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 2olp h PHE 34 Cb 0.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.22 2olp h PHE 34 CO -0.11 0.57 -0.57 0.87 -0.60 0.00 0.00 178.31 178.47 2olp h LYS 35 N 0.00 0.45 -0.01 1.51 1.57 -1.09 -3.08 116.57 115.93 2olp h LYS 35 Ca -0.01 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.12 2olp h LYS 35 Cb 1.13 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2olp h LYS 35 CO 0.07 1.08 -0.91 0.00 -0.57 0.00 0.00 179.45 179.13 2olp h ALA 36 N 0.38 0.41 -2.46 3.86 0.00 -0.76 -3.39 119.26 117.30 2olp h ALA 36 Ca -0.06 -0.70 -0.59 0.00 0.00 0.00 0.00 54.91 53.55 2olp h ALA 36 Cb 1.25 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 2olp h ALA 36 CO 0.11 0.83 -0.89 0.72 0.00 0.00 0.00 179.25 180.02 2olp n HIS 37 N -3.74 0.30 0.33 0.00 8.25 0.51 -4.99 115.22 115.88 2olp n HIS 37 Ca -0.06 -3.61 0.22 0.00 -0.26 0.00 0.00 57.72 54.02 2olp n HIS 37 Cb 0.82 -0.06 1.19 0.00 1.12 0.00 0.00 29.99 33.06 2olp n HIS 37 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2olp h PRO 38 N 5.26 0.00 0.00 -0.41 0.11 -1.73 -1.02 132.00 134.21 2olp h PRO 38 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2olp h PRO 38 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2olp h PRO 38 CO 0.48 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.32 2olp h GLU 39 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.31 114.58 120.50 2olp h GLU 39 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2olp h GLU 39 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 2olp h GLU 39 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 2olp n THR 40 N -2.96 0.76 0.20 -1.06 -2.24 -0.39 -1.99 114.28 106.61 2olp n THR 40 Ca -0.00 0.19 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 2olp n THR 40 Cb 0.23 -0.88 0.31 0.00 -2.10 0.00 0.00 70.33 67.90 2olp n THR 40 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2olp h LEU 41 N 0.00 0.00 -0.23 3.22 3.38 -1.61 -3.34 115.31 116.73 2olp h LEU 41 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2olp h LEU 41 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2olp h LEU 41 CO 0.00 0.25 0.07 0.74 0.09 0.00 0.00 178.44 179.60 2olp h THR 42 N 0.00 1.19 -0.00 0.22 2.02 -1.59 -1.55 112.91 113.19 2olp h THR 42 Ca -0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2olp h THR 42 Cb 0.94 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2olp h THR 42 CO 0.03 0.19 0.01 -0.65 0.37 0.00 0.00 175.52 175.47 2olp h PRO 43 N 0.20 0.00 -0.15 6.66 0.11 -1.78 -1.54 132.00 135.50 2olp h PRO 43 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2olp h PRO 43 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2olp h PRO 43 CO -0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 2olp n PHE 44 N -3.41 0.20 -0.35 0.65 3.72 -0.59 -4.36 117.46 113.31 2olp n PHE 44 Ca -0.03 -0.10 -0.01 0.00 -0.05 0.00 0.00 57.45 57.27 2olp n PHE 44 Cb 0.08 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.75 2olp n PHE 44 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2olp h LYS 45 N 0.99 1.18 -0.46 -1.08 3.64 -1.24 0.39 116.57 119.99 2olp h LYS 45 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2olp h LYS 45 Cb 0.22 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2olp h LYS 45 CO 0.00 0.78 0.25 1.03 -2.27 0.00 0.00 179.45 179.25 2olp h SER 46 N 1.22 0.58 0.07 4.20 0.87 -1.84 0.15 113.55 118.79 2olp h SER 46 Ca 0.38 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 2olp h SER 46 Cb -0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2olp h SER 46 CO -0.12 0.50 -0.58 0.25 -0.53 0.00 0.00 176.83 176.35 2olp h LEU 47 N 0.61 0.22 -1.28 2.23 5.85 -1.75 -3.41 115.31 117.77 2olp h LEU 47 Ca 0.16 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2olp h LEU 47 Cb 0.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2olp h LEU 47 CO -0.03 1.26 -0.01 0.49 -0.34 0.00 0.00 178.44 179.82 2olp n PHE 48 N -4.33 0.00 0.32 1.25 3.72 0.13 -4.66 117.46 113.89 2olp n PHE 48 Ca -0.15 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.46 2olp n PHE 48 Cb 0.67 0.00 1.11 0.00 -0.94 0.00 0.00 39.48 40.33 2olp n PHE 48 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2olp h GLY 49 N 1.58 0.00 -2.01 1.37 0.00 -0.94 -2.05 103.07 101.01 2olp h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2olp h GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2olp n GLY 50 N -0.99 1.56 3.08 4.60 0.00 -1.26 -4.89 105.19 107.29 2olp n GLY 50 Ca -0.03 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 2olp n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2olp s LEU 51 N -1.04 2.03 0.71 0.99 1.43 -0.77 -5.16 118.68 116.88 2olp s LEU 51 Ca 0.36 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 2olp s LEU 51 Cb 0.19 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.83 2olp s LEU 51 CO 0.24 0.14 1.07 0.42 0.23 0.00 0.00 176.35 178.45 2olp s THR 52 N -0.33 2.90 0.26 5.49 -4.23 -1.26 -4.92 115.64 113.55 2olp s THR 52 Ca 0.04 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 2olp s THR 52 Cb -0.05 -3.26 0.25 0.00 1.34 0.00 0.00 72.50 70.78 2olp s THR 52 CO -0.00 -0.32 1.86 0.25 -0.54 0.00 0.00 174.62 175.87 2olp h LEU 53 N -0.67 0.93 -1.78 4.79 5.85 -2.01 -0.48 115.31 121.94 2olp h LEU 53 Ca -0.45 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2olp h LEU 53 Cb 1.29 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2olp h LEU 53 CO 0.63 0.58 -0.03 0.00 -0.34 0.00 0.00 178.44 179.29 2olp h ALA 54 N 1.44 1.03 0.00 1.25 0.00 -2.00 -2.70 119.26 118.27 2olp h ALA 54 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2olp h ALA 54 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2olp h ALA 54 CO -0.19 0.04 -0.73 1.04 0.00 0.00 0.00 179.25 179.41 2olp n GLN 55 N -3.16 0.27 -0.14 0.00 6.02 -0.22 -4.33 117.38 115.82 2olp n GLN 55 Ca -0.00 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 2olp n GLN 55 Cb 0.26 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 2olp n GLN 55 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2olp h LEU 56 N 0.00 0.83 -9.50 1.08 3.38 -1.15 -3.37 115.31 106.59 2olp h LEU 56 Ca 0.00 -0.36 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 2olp h LEU 56 Cb 0.73 -0.23 0.05 0.00 0.09 0.00 0.00 40.66 41.29 2olp h LEU 56 CO 0.00 1.00 1.00 1.67 0.09 0.00 0.00 178.44 182.20 2olp n GLN 57 N -4.30 2.51 -1.03 1.13 -0.06 -1.26 -0.98 117.38 113.39 2olp n GLN 57 Ca -0.01 0.91 -0.01 0.00 -2.00 0.00 0.00 57.00 55.89 2olp n GLN 57 Cb 0.37 -2.75 -0.00 0.00 -4.06 0.00 0.00 30.24 23.80 2olp n GLN 57 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2olp n ASP 58 N 4.85 -5.39 -4.76 1.69 8.00 -1.26 -5.00 116.55 114.68 2olp n ASP 58 Ca 0.18 0.02 -0.39 0.00 0.71 0.00 0.00 54.79 55.31 2olp n ASP 58 Cb 0.33 -2.97 -0.04 0.00 -0.02 0.00 0.00 41.12 38.42 2olp n ASP 58 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2olp s ASN 59 N -2.05 7.03 0.49 -2.24 3.84 -0.15 -4.85 114.94 117.00 2olp s ASN 59 Ca 0.00 2.28 0.18 0.00 0.21 0.00 0.00 52.86 55.53 2olp s ASN 59 Cb 0.00 -2.62 1.21 0.00 -0.55 0.00 0.00 41.25 39.29 2olp s ASN 59 CO 0.00 -0.31 2.03 1.55 -2.79 0.00 0.00 177.10 177.57 2olp h PRO 60 N 3.39 0.17 -0.44 0.43 0.13 -1.94 0.84 132.00 134.58 2olp h PRO 60 Ca -0.47 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2olp h PRO 60 Cb 1.22 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2olp h PRO 60 CO 0.65 0.11 -0.10 0.87 -0.23 0.00 0.00 178.00 179.30 2olp h LYS 61 N 0.17 0.78 0.03 0.86 1.57 -1.92 -0.68 116.57 117.38 2olp h LYS 61 Ca 0.20 -0.26 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 2olp h LYS 61 Cb 0.58 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2olp h LYS 61 CO -0.03 0.86 -1.03 1.98 -0.57 0.00 0.00 179.45 180.65 2olp h MET 62 N 0.71 0.43 -0.72 3.15 4.05 -1.39 -1.39 114.93 119.76 2olp h MET 62 Ca 0.12 -0.51 0.02 0.00 -0.28 0.00 0.00 59.70 59.05 2olp h MET 62 Cb 0.58 0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 2olp h MET 62 CO 0.04 1.17 0.47 0.87 0.23 0.00 0.00 176.91 179.68 2olp h LYS 63 N 0.22 0.90 -0.32 0.39 1.57 -0.78 -0.21 116.57 118.34 2olp h LYS 63 Ca -0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2olp h LYS 63 Cb 1.69 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 2olp h LYS 63 CO 0.18 0.60 0.02 0.00 -0.57 0.00 0.00 179.45 179.67 2olp h ALA 64 N 1.29 0.43 -0.61 3.86 0.00 -1.05 -1.40 119.26 121.78 2olp h ALA 64 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2olp h ALA 64 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2olp h ALA 64 CO -0.09 0.17 0.26 0.37 0.00 0.00 0.00 179.25 179.96 2olp h GLN 65 N 0.36 0.91 -0.56 0.00 5.75 -1.14 -1.76 115.11 118.67 2olp h GLN 65 Ca 0.09 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2olp h GLN 65 Cb 0.41 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 2olp h GLN 65 CO 0.01 0.76 0.28 1.03 -2.65 0.00 0.00 178.83 178.27 2olp h SER 66 N 0.85 0.40 -0.36 -0.69 0.87 -0.93 -1.39 113.55 112.31 2olp h SER 66 Ca 0.21 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2olp h SER 66 Cb 0.18 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2olp h SER 66 CO -0.02 0.27 0.19 0.25 -0.53 0.00 0.00 176.83 176.99 2olp h LEU 67 N 0.54 0.45 -0.80 2.23 5.85 -0.94 0.13 115.31 122.75 2olp h LEU 67 Ca 0.25 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2olp h LEU 67 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2olp h LEU 67 CO -0.18 0.42 -0.52 -0.37 -0.34 0.00 0.00 178.44 177.45 2olp h VAL 68 N 0.45 1.36 -0.23 1.05 -1.51 -1.07 0.06 116.25 116.36 2olp h VAL 68 Ca 0.13 -1.79 -0.01 0.00 -1.23 0.00 0.00 66.70 63.80 2olp h VAL 68 Cb 0.07 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 2olp h VAL 68 CO -0.02 0.53 0.12 0.15 -1.23 0.00 0.00 177.57 177.11 2olp h PHE 69 N 0.16 0.32 -0.72 5.19 3.57 -1.06 -0.09 116.94 124.30 2olp h PHE 69 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2olp h PHE 69 Cb 0.97 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 2olp h PHE 69 CO 0.02 0.31 0.44 0.00 -2.23 0.00 0.00 178.31 176.84 2olp h ASN 71 N 0.99 1.05 0.67 0.00 2.35 -0.69 0.15 115.58 120.10 2olp h ASN 71 Ca 0.26 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2olp h ASN 71 Cb -0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.05 2olp h ASN 71 CO -0.05 1.04 -0.35 1.23 -1.65 0.00 0.00 177.43 177.65 2olp h GLY 72 N 1.06 -1.00 1.01 2.83 0.00 -0.66 -0.09 103.07 106.21 2olp h GLY 72 Ca 0.21 0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.93 2olp h GLY 72 CO 0.01 -0.36 0.52 -0.33 0.00 0.00 0.00 176.54 176.38 2olp h MET 73 N -0.94 1.05 -0.60 4.80 2.86 -0.98 -2.34 114.93 118.78 2olp h MET 73 Ca -0.09 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2olp h MET 73 Cb 0.74 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 2olp h MET 73 CO 0.13 0.70 0.31 0.77 1.06 0.00 0.00 176.91 179.89 2olp h SER 74 N 1.08 0.45 -0.42 1.22 0.02 -0.63 -0.39 113.55 114.89 2olp h SER 74 Ca 0.29 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2olp h SER 74 Cb -0.11 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2olp h SER 74 CO -0.06 0.30 0.22 0.77 -1.14 0.00 0.00 176.83 176.92 2olp h SER 75 N 0.59 0.55 0.06 3.07 4.64 -0.51 0.11 113.55 122.07 2olp h SER 75 Ca 0.27 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2olp h SER 75 Cb 0.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2olp h SER 75 CO -0.18 0.47 -0.03 -0.26 -0.87 0.00 0.00 176.83 175.96 2olp h PHE 76 N 0.63 -0.07 -0.97 4.77 0.04 -0.83 -3.17 116.94 117.33 2olp h PHE 76 Ca 0.16 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.97 2olp h PHE 76 Cb 0.06 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 2olp h PHE 76 CO 0.00 0.42 0.63 0.28 -0.60 0.00 0.00 178.31 179.04 2olp h VAL 77 N -0.61 1.14 0.00 -0.55 2.07 -0.73 -1.65 116.25 115.92 2olp h VAL 77 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2olp h VAL 77 Cb 0.53 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2olp h VAL 77 CO 0.01 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.29 2olp n ASP 78 N -4.48 0.00 -0.43 0.57 8.00 0.35 -3.35 116.55 117.21 2olp n ASP 78 Ca 0.13 0.35 0.07 0.00 0.71 0.00 0.00 54.79 56.05 2olp n ASP 78 Cb 0.12 -0.41 0.17 0.00 -0.02 0.00 0.00 41.12 40.97 2olp n ASP 78 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2olp n HIS 79 N -1.41 0.00 0.28 1.24 8.25 -0.62 -4.70 115.22 118.25 2olp n HIS 79 Ca 0.04 -1.22 0.13 0.00 -0.26 0.00 0.00 57.72 56.41 2olp n HIS 79 Cb 0.12 -0.20 0.83 0.00 1.12 0.00 0.00 29.99 31.85 2olp n HIS 79 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2olp h LEU 80 N 0.58 0.00 -3.23 2.41 3.38 -1.59 -1.10 115.31 115.76 2olp h LEU 80 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2olp h LEU 80 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2olp h LEU 80 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2olp n ASP 81 N -4.07 4.38 -3.15 -0.43 8.00 -1.26 -4.58 116.55 115.43 2olp n ASP 81 Ca -0.03 -2.68 -0.22 0.00 0.71 0.00 0.00 54.79 52.58 2olp n ASP 81 Cb 0.10 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 2olp n ASP 81 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2olp n ASP 82 N 0.36 0.02 0.22 -2.24 -0.08 -0.42 -4.98 116.55 109.43 2olp n ASP 82 Ca 0.23 -2.79 0.06 0.00 -1.51 0.00 0.00 54.79 50.78 2olp n ASP 82 Cb 0.88 -0.44 0.49 0.00 2.34 0.00 0.00 41.12 44.40 2olp n ASP 82 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2olp h ASN 83 N 3.85 0.00 -0.47 1.67 4.21 -1.81 -1.05 115.58 121.99 2olp h ASN 83 Ca 0.06 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.63 2olp h ASN 83 Cb 0.91 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.05 2olp h ASN 83 CO 0.45 0.26 0.16 0.44 -1.29 0.00 0.00 177.43 177.45 2olp h ASP 84 N 0.00 0.17 -0.33 5.81 3.32 -1.94 -0.56 116.42 122.89 2olp h ASP 84 Ca -0.00 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 2olp h ASP 84 Cb 0.52 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2olp h ASP 84 CO 0.03 0.13 -0.37 0.24 -1.72 0.00 0.00 179.24 177.55 2olp h MET 85 N 0.34 0.82 -0.72 3.56 2.86 -1.80 -3.22 114.93 116.77 2olp h MET 85 Ca 0.22 -0.45 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2olp h MET 85 Cb 0.22 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2olp h MET 85 CO -0.23 1.09 0.41 1.25 1.06 0.00 0.00 176.91 180.49 2olp h LEU 86 N 0.60 0.60 -0.54 1.22 6.46 -0.89 -0.09 115.31 122.67 2olp h LEU 86 Ca 0.05 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 2olp h LEU 86 Cb 0.96 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 2olp h LEU 86 CO 0.09 0.37 0.02 0.58 -0.62 0.00 0.00 178.44 178.89 2olp h VAL 87 N 0.73 1.26 -0.42 1.05 2.07 -1.19 -0.65 116.25 119.10 2olp h VAL 87 Ca 0.33 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2olp h VAL 87 Cb 0.23 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2olp h VAL 87 CO -0.20 0.38 0.27 0.58 0.02 0.00 0.00 177.57 178.62 2olp h VAL 88 N 0.81 1.08 -0.72 2.57 2.07 -1.39 -0.24 116.25 120.44 2olp h VAL 88 Ca 0.16 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2olp h VAL 88 Cb 0.50 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2olp h VAL 88 CO 0.02 0.10 0.42 -0.07 0.02 0.00 0.00 177.57 178.06 2olp h LEU 89 N 0.54 0.87 -0.58 2.57 3.38 -0.63 -0.19 115.31 121.28 2olp h LEU 89 Ca 0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2olp h LEU 89 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2olp h LEU 89 CO -0.05 0.69 0.15 0.40 0.09 0.00 0.00 178.44 179.72 2olp h ILE 90 N 0.98 1.25 -0.69 1.22 2.04 -0.87 -2.37 117.51 119.06 2olp h ILE 90 Ca 0.26 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 2olp h ILE 90 Cb -0.01 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2olp h ILE 90 CO -0.05 0.32 0.20 1.56 0.00 0.00 0.00 178.15 180.19 2olp h GLN 91 N 0.83 1.08 -0.85 2.37 4.20 -0.71 0.17 115.11 122.20 2olp h GLN 91 Ca 0.18 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2olp h GLN 91 Cb 0.33 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2olp h GLN 91 CO -0.00 0.93 0.56 0.87 -0.67 0.00 0.00 178.83 180.52 2olp h LYS 92 N 1.03 1.09 -0.45 1.46 1.57 -0.91 -0.40 116.57 119.95 2olp h LYS 92 Ca 0.22 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2olp h LYS 92 Cb 0.31 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2olp h LYS 92 CO -0.00 0.72 -0.12 1.98 -0.57 0.00 0.00 179.45 181.45 2olp h MET 93 N 1.12 0.83 -0.34 3.15 4.05 -0.89 -2.61 114.93 120.24 2olp h MET 93 Ca 0.32 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2olp h MET 93 Cb -0.09 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 2olp h MET 93 CO -0.08 0.91 0.21 0.00 0.23 0.00 0.00 176.91 178.17 2olp h ALA 94 N 1.12 0.43 -0.29 0.39 0.00 -0.22 -2.18 119.26 118.51 2olp h ALA 94 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2olp h ALA 94 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2olp h ALA 94 CO 0.04 -0.08 0.06 -0.22 0.00 0.00 0.00 179.25 179.06 2olp h LYS 95 N 0.44 0.46 -0.68 0.00 3.64 -0.90 0.29 116.57 119.82 2olp h LYS 95 Ca 0.12 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2olp h LYS 95 Cb -0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2olp h LYS 95 CO -0.02 0.56 0.29 -0.07 -2.27 0.00 0.00 179.45 177.93 2olp h LEU 96 N 0.29 0.91 -0.18 5.20 3.38 -1.44 -1.10 115.31 122.37 2olp h LEU 96 Ca 0.09 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 2olp h LEU 96 Cb 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2olp h LEU 96 CO 0.00 0.79 -0.95 0.45 0.09 0.00 0.00 178.44 178.83 2olp h HIS 97 N 0.98 0.55 -0.88 1.13 3.86 -1.10 -3.20 115.15 116.50 2olp h HIS 97 Ca 0.23 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2olp h HIS 97 Cb 0.16 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2olp h HIS 97 CO 0.01 1.13 0.49 -0.97 0.86 0.00 0.00 177.93 179.46 2olp h ASN 98 N 0.20 1.08 -0.26 2.45 -1.24 -0.21 -1.25 115.58 116.35 2olp h ASN 98 Ca -0.08 -0.08 0.07 0.00 0.71 0.00 0.00 56.30 56.92 2olp h ASN 98 Cb 1.58 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.35 2olp h ASN 98 CO 0.16 0.85 0.27 0.78 -1.29 0.00 0.00 177.43 178.20 2olp h ASN 99 N 1.22 0.00 -0.06 1.15 2.35 -1.20 -1.28 115.58 117.76 2olp h ASN 99 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2olp h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2olp h ASN 99 CO -0.05 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.27 2olp n ARG 100 N -3.83 1.95 -1.02 0.81 1.74 -0.51 -4.95 116.66 110.85 2olp n ARG 100 Ca 0.03 -1.39 -0.01 0.00 -0.77 0.00 0.00 57.85 55.71 2olp n ARG 100 Cb 0.41 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2olp n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2olp n GLY 101 N 1.25 0.47 3.73 -0.13 0.00 -0.48 -4.99 105.19 105.04 2olp n GLY 101 Ca 0.17 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2olp n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2olp s ILE 102 N -2.00 4.93 0.24 -0.61 1.01 -0.94 -5.02 121.20 118.80 2olp s ILE 102 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.17 2olp s ILE 102 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2olp s ILE 102 CO 0.00 0.30 0.42 -0.13 0.00 0.00 0.00 174.94 175.52 2olp s ARG 103 N 0.46 3.50 0.38 2.79 0.52 -1.26 -4.14 118.95 121.21 2olp s ARG 103 Ca 0.38 -0.42 0.09 0.00 -0.52 0.00 0.00 55.73 55.26 2olp s ARG 103 Cb -0.19 -2.81 0.84 0.00 0.52 0.00 0.00 34.95 33.31 2olp s ARG 103 CO 0.20 0.36 1.96 0.00 0.02 0.00 0.00 175.30 177.83 2olp h ALA 104 N 1.60 1.81 -0.66 2.13 0.00 -1.94 -1.27 119.26 120.93 2olp h ALA 104 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2olp h ALA 104 Cb 1.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2olp h ALA 104 CO 0.65 0.06 0.40 0.66 0.00 0.00 0.00 179.25 181.02 2olp h SER 105 N 0.64 0.78 -0.35 0.00 4.64 -1.94 0.01 113.55 117.32 2olp h SER 105 Ca 0.31 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2olp h SER 105 Cb 0.38 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2olp h SER 105 CO -0.10 0.59 0.10 0.44 -0.87 0.00 0.00 176.83 176.98 2olp h ASP 106 N 0.90 0.53 -0.95 4.97 3.32 -1.63 -1.91 116.42 121.64 2olp h ASP 106 Ca 0.24 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2olp h ASP 106 Cb -0.05 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2olp h ASP 106 CO -0.05 0.61 0.62 -0.07 -1.72 0.00 0.00 179.24 178.63 2olp h LEU 107 N 0.42 1.11 -0.76 1.55 3.38 -1.02 -1.75 115.31 118.23 2olp h LEU 107 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2olp h LEU 107 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2olp h LEU 107 CO -0.00 0.81 0.32 -0.09 0.09 0.00 0.00 178.44 179.57 2olp h ARG 108 N 1.30 1.13 -0.36 1.13 9.65 -0.76 -0.59 114.38 125.88 2olp h ARG 108 Ca 0.35 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2olp h ARG 108 Cb -0.13 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.25 2olp h ARG 108 CO -0.07 0.91 0.14 1.15 2.80 0.00 0.00 179.97 184.89 2olp h THR 109 N 1.09 1.19 -0.91 0.20 2.02 -1.03 -2.15 112.91 113.33 2olp h THR 109 Ca 0.26 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2olp h THR 109 Cb 0.19 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 2olp h THR 109 CO -0.02 0.21 0.56 0.00 0.37 0.00 0.00 175.52 176.64 2olp h ALA 110 N 0.98 1.29 -0.50 6.16 0.00 -0.84 -1.93 119.26 124.42 2olp h ALA 110 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2olp h ALA 110 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2olp h ALA 110 CO -0.01 0.27 0.13 1.88 0.00 0.00 0.00 179.25 181.52 2olp h TYR 111 N 0.98 0.76 -0.67 0.00 0.05 -0.72 -0.31 116.97 117.06 2olp h TYR 111 Ca 0.42 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 59.19 2olp h TYR 111 Cb 0.27 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 2olp h TYR 111 CO -0.03 0.64 0.38 -0.44 -1.05 0.00 0.00 178.16 177.66 2olp h ASP 112 N 0.72 0.57 -0.50 3.88 3.32 -0.73 -0.63 116.42 123.07 2olp h ASP 112 Ca 0.16 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2olp h ASP 112 Cb 0.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2olp h ASP 112 CO -0.00 0.37 0.04 0.40 -1.72 0.00 0.00 179.24 178.33 2olp h ILE 113 N 0.71 1.26 -0.40 0.35 1.08 -0.92 -1.51 117.51 118.08 2olp h ILE 113 Ca 0.30 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2olp h ILE 113 Cb 0.17 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 2olp h ILE 113 CO -0.17 0.35 0.23 0.25 -0.69 0.00 0.00 178.15 178.12 2olp h LEU 114 N 0.71 0.37 -0.57 1.44 5.85 -0.75 -1.16 115.31 121.20 2olp h LEU 114 Ca 0.15 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2olp h LEU 114 Cb 0.45 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2olp h LEU 114 CO 0.02 0.27 0.35 0.40 -0.34 0.00 0.00 178.44 179.14 2olp h ILE 115 N 0.47 1.07 -0.64 4.05 2.04 -1.02 -1.25 117.51 122.23 2olp h ILE 115 Ca 0.16 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2olp h ILE 115 Cb 0.01 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2olp h ILE 115 CO -0.07 0.13 0.26 -0.74 0.00 0.00 0.00 178.15 177.72 2olp h HIS 116 N 0.69 0.98 -0.20 1.37 2.76 -1.09 -0.08 115.15 119.58 2olp h HIS 116 Ca 0.23 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2olp h HIS 116 Cb 0.02 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.66 2olp h HIS 116 CO -0.06 0.77 0.02 -0.92 -1.30 0.00 0.00 177.93 176.44 2olp h TYR 117 N 0.90 0.04 -0.75 5.26 3.20 -0.78 0.15 116.97 124.98 2olp h TYR 117 Ca 0.21 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 2olp h TYR 117 Cb 0.21 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2olp h TYR 117 CO 0.01 -0.00 0.31 0.52 -1.64 0.00 0.00 178.16 177.36 2olp h MET 118 N 0.10 1.12 0.00 1.82 2.86 -1.03 -0.03 114.93 119.77 2olp h MET 118 Ca 0.09 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2olp h MET 118 Cb 0.10 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2olp h MET 118 CO -0.14 0.91 -0.01 0.93 1.06 0.00 0.00 176.91 179.66 2olp h GLU 119 N 1.08 -0.02 -0.23 1.72 4.39 -0.55 0.24 114.58 121.21 2olp h GLU 119 Ca 0.25 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 2olp h GLU 119 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2olp h GLU 119 CO -0.02 -0.01 0.01 -0.44 -1.16 0.00 0.00 179.01 177.38 2olp h ASP 120 N -0.02 0.31 -0.60 1.42 5.19 -0.48 -2.62 116.42 119.61 2olp h ASP 120 Ca 0.01 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2olp h ASP 120 Cb 0.03 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2olp h ASP 120 CO -0.01 0.36 0.00 1.41 -3.12 0.00 0.00 179.24 177.88 2olp n HIS 121 N -4.36 1.38 -3.14 4.55 8.25 -0.04 -4.95 115.22 116.91 2olp n HIS 121 Ca 0.00 -0.55 -0.19 0.00 -0.26 0.00 0.00 57.72 56.73 2olp n HIS 121 Cb 0.19 -0.23 0.05 0.00 1.12 0.00 0.00 29.99 31.12 2olp n HIS 121 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2olp n ASN 122 N 1.03 -5.41 0.03 0.41 3.02 -0.79 -4.92 115.26 108.64 2olp n ASN 122 Ca 0.24 -0.34 0.12 0.00 -0.03 0.00 0.00 54.58 54.56 2olp n ASN 122 Cb 0.83 -4.12 0.13 0.00 -0.61 0.00 0.00 39.78 36.01 2olp n ASN 122 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2olp n HIS 123 N -4.41 0.28 -2.97 3.10 8.25 0.79 -4.87 115.22 115.40 2olp n HIS 123 Ca -0.04 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 2olp n HIS 123 Cb 0.57 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 31.19 2olp n HIS 123 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2olp s MET 124 N -3.13 3.26 1.00 -0.41 -1.94 -1.25 -4.25 119.30 112.59 2olp s MET 124 Ca 0.07 -0.49 -0.14 0.00 -1.71 0.00 0.00 55.69 53.41 2olp s MET 124 Cb 0.15 -4.06 0.19 0.00 2.01 0.00 0.00 34.83 33.12 2olp s MET 124 CO 0.75 -1.36 1.15 0.14 -0.01 0.00 0.00 175.02 175.69 2olp s VAL 125 N 3.41 1.90 -0.05 -6.03 -7.23 -1.26 -4.85 120.40 106.29 2olp s VAL 125 Ca 0.25 0.00 -0.36 0.00 -1.81 0.00 0.00 61.98 60.06 2olp s VAL 125 Cb -0.15 -2.68 -0.14 0.00 0.56 0.00 0.00 36.38 33.97 2olp s VAL 125 CO 0.17 0.00 1.70 0.61 -0.31 0.00 0.00 175.10 177.27 2olp n GLY 126 N -1.94 1.10 2.06 2.32 0.00 -1.26 -0.38 105.19 107.09 2olp n GLY 126 Ca 0.09 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.92 2olp n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2olp n GLY 127 N 3.86 2.01 0.31 -0.02 0.00 -1.26 -4.90 105.19 105.20 2olp n GLY 127 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 2olp n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2olp h ALA 128 N 0.00 0.94 -0.49 4.61 0.00 -1.01 -2.19 119.26 121.11 2olp h ALA 128 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2olp h ALA 128 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2olp h ALA 128 CO 0.00 0.65 0.08 -0.22 0.00 0.00 0.00 179.25 179.77 2olp h LYS 129 N 0.98 0.82 -0.42 0.00 3.64 -1.92 0.26 116.57 119.94 2olp h LYS 129 Ca 0.19 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2olp h LYS 129 Cb 0.46 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2olp h LYS 129 CO 0.02 0.81 0.16 -0.44 -2.27 0.00 0.00 179.45 177.73 2olp h ASP 130 N 0.69 0.18 -0.45 4.20 3.32 -1.94 -0.40 116.42 122.02 2olp h ASP 130 Ca 0.15 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 2olp h ASP 130 Cb 0.39 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2olp h ASP 130 CO 0.01 0.14 -0.05 0.00 -1.72 0.00 0.00 179.24 177.62 2olp h ALA 131 N 1.26 0.95 -0.42 3.45 0.00 -1.05 -2.03 119.26 121.42 2olp h ALA 131 Ca 0.19 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2olp h ALA 131 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2olp h ALA 131 CO -0.18 0.62 -0.16 -1.49 0.00 0.00 0.00 179.25 178.05 2olp h TRP 132 N 0.82 0.96 -0.43 0.00 4.06 -0.70 -0.08 115.95 120.58 2olp h TRP 132 Ca 0.14 -0.22 0.07 0.00 2.06 0.00 0.00 58.89 60.94 2olp h TRP 132 Cb 0.56 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.43 2olp h TRP 132 CO 0.03 0.98 0.07 0.93 -3.56 0.00 0.00 178.44 176.89 2olp h GLU 133 N 0.66 0.19 -0.00 0.49 4.39 -0.74 -0.06 114.58 119.51 2olp h GLU 133 Ca 0.10 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2olp h GLU 133 Cb 0.71 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2olp h GLU 133 CO 0.05 0.12 -0.03 0.28 -1.16 0.00 0.00 179.01 178.28 2olp h VAL 134 N 0.19 0.93 -0.32 3.13 2.07 -1.10 -2.18 116.25 118.96 2olp h VAL 134 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 2olp h VAL 134 Cb 0.28 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2olp h VAL 134 CO -0.30 0.00 0.07 0.15 0.02 0.00 0.00 177.57 177.52 2olp h PHE 135 N -0.05 0.13 0.00 1.57 3.57 -0.76 -1.40 116.94 119.99 2olp h PHE 135 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2olp h PHE 135 Cb 0.07 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2olp h PHE 135 CO -0.10 0.03 -0.35 -0.39 -2.23 0.00 0.00 178.31 175.27 2olp h VAL 136 N 0.19 1.13 -0.09 1.41 -1.51 -0.98 0.20 116.25 116.61 2olp h VAL 136 Ca 0.15 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2olp h VAL 136 Cb 0.15 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2olp h VAL 136 CO -0.18 0.35 0.06 1.23 -1.23 0.00 0.00 177.57 177.79 2olp h GLY 137 N 1.25 0.12 0.74 5.19 0.00 -1.01 0.56 103.07 109.92 2olp h GLY 137 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.31 2olp h GLY 137 CO 0.05 0.05 0.01 -2.75 0.00 0.00 0.00 176.54 173.89 2olp h PHE 138 N 0.11 0.01 -0.28 5.60 3.57 -0.28 -0.82 116.94 124.85 2olp h PHE 138 Ca 0.03 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2olp h PHE 138 Cb -0.00 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2olp h PHE 138 CO -0.07 -0.02 0.18 0.82 -2.23 0.00 0.00 178.31 176.99 2olp h ILE 139 N 0.07 1.05 -0.11 1.41 2.04 -0.47 -1.68 117.51 119.81 2olp h ILE 139 Ca 0.09 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 2olp h ILE 139 Cb 0.10 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2olp h ILE 139 CO -0.14 0.07 -0.56 0.00 0.00 0.00 0.00 178.15 177.52 2olp h LYS 141 N 0.27 0.03 -0.26 0.00 3.11 -1.06 0.12 116.57 118.79 2olp h LYS 141 Ca 0.00 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2olp h LYS 141 Cb 1.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.26 2olp h LYS 141 CO 0.09 0.02 0.05 1.15 -2.81 0.00 0.00 179.45 177.96 2olp h THR 142 N 0.03 0.88 -0.21 1.00 2.02 -1.00 -0.23 112.91 115.42 2olp h THR 142 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2olp h THR 142 Cb 0.01 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2olp h THR 142 CO -0.03 0.03 0.13 -0.07 0.37 0.00 0.00 175.52 175.95 2olp h LEU 143 N 0.15 0.23 -0.24 2.58 3.38 -0.84 -2.09 115.31 118.48 2olp h LEU 143 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2olp h LEU 143 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2olp h LEU 143 CO -0.15 0.16 0.14 1.23 0.09 0.00 0.00 178.44 179.91 2olp h GLY 144 N 0.27 0.36 1.00 0.83 0.00 -0.51 -0.14 103.07 104.88 2olp h GLY 144 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2olp h GLY 144 CO -0.02 0.15 0.35 -0.55 0.00 0.00 0.00 176.54 176.47 2olp h ASP 145 N 0.29 0.67 -0.36 0.19 5.19 -1.00 -1.41 116.42 119.99 2olp h ASP 145 Ca 0.09 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.34 2olp h ASP 145 Cb 0.05 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2olp h ASP 145 CO -0.01 0.52 -0.19 0.22 -3.12 0.00 0.00 179.24 176.65 2olp h TYR 146 N 0.77 0.90 0.00 4.55 3.20 -1.22 -2.91 116.97 122.25 2olp h TYR 146 Ca 0.20 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2olp h TYR 146 Cb -0.04 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 2olp h TYR 146 CO -0.03 0.97 -0.06 0.52 -1.64 0.00 0.00 178.16 177.93 2olp h MET 147 N 0.56 0.00 -0.42 1.82 2.86 -0.76 -0.01 114.93 118.99 2olp h MET 147 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2olp h MET 147 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2olp h MET 147 CO 0.06 0.06 0.20 0.87 1.06 0.00 0.00 176.91 179.16 2olp h LYS 148 N 0.00 0.58 0.00 1.72 1.57 -1.06 -2.84 116.57 116.54 2olp h LYS 148 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2olp h LYS 148 Cb 0.11 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2olp h LYS 148 CO 0.01 0.45 0.00 0.93 -0.57 0.00 0.00 179.45 180.27 2olp h GLU 149 N 0.58 0.00 -6.58 3.15 5.08 -0.95 -3.46 114.58 112.39 2olp h GLU 149 Ca 0.15 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.02 2olp h GLU 149 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2olp h GLU 149 CO -0.02 0.00 -0.13 -0.51 -1.00 0.00 0.00 179.01 177.35 2olp s LEU 150 N -5.11 3.96 0.00 1.33 1.43 -1.07 -5.13 118.68 114.08 2olp s LEU 150 Ca 0.07 0.59 0.22 0.00 -1.03 0.00 0.00 54.13 53.98 2olp s LEU 150 Cb 0.10 -3.46 0.18 0.00 0.03 0.00 0.00 46.19 43.04 2olp s LEU 150 CO 0.56 -0.32 1.21 -1.54 0.23 0.00 0.00 176.35 176.49