#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn n LEU 22 N 0.00 3.42 -0.19 -3.43 4.77 -1.26 -4.84 117.00 115.47 1umn n LEU 22 Ca 0.00 -4.09 -0.05 0.00 -0.03 0.00 0.00 56.01 51.84 1umn n LEU 22 Cb 0.00 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1umn n LEU 22 CO 0.00 1.61 1.09 0.00 -1.33 0.00 0.00 177.39 178.76 1umn h ALA 23 N 1.52 0.72 -0.01 -1.18 0.00 -2.00 -1.51 119.26 116.80 1umn h ALA 23 Ca 0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1umn h ALA 23 Cb 1.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1umn h ALA 23 CO 0.31 0.09 -0.71 -0.44 0.00 0.00 0.00 179.25 178.49 1umn h ASP 24 N 0.70 0.10 -0.48 0.00 3.32 -1.96 -1.33 116.42 116.77 1umn h ASP 24 Ca 0.22 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1umn h ASP 24 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1umn h ASP 24 CO -0.08 0.77 -0.14 0.28 -1.72 0.00 0.00 179.24 178.35 1umn h SER 25 N 0.05 0.96 -0.48 6.45 0.02 -1.80 -1.49 113.55 117.26 1umn h SER 25 Ca -0.01 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 1umn h SER 25 Cb 1.25 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1umn h SER 25 CO 0.10 1.11 -0.09 0.11 -1.14 0.00 0.00 176.83 176.92 1umn h LYS 26 N 0.80 0.95 -0.39 3.45 1.57 -1.15 -2.15 116.57 119.64 1umn h LYS 26 Ca 0.12 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1umn h LYS 26 Cb 0.70 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1umn h LYS 26 CO 0.05 0.99 0.20 0.00 -0.57 0.00 0.00 179.45 180.12 1umn h ALA 27 N 1.04 0.50 -0.10 3.86 0.00 -0.98 -1.28 119.26 122.29 1umn h ALA 27 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1umn h ALA 27 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1umn h ALA 27 CO 0.04 0.04 -0.44 -0.24 0.00 0.00 0.00 179.25 178.65 1umn h VAL 28 N 0.49 1.32 -0.35 0.00 3.04 -1.19 0.58 116.25 120.14 1umn h VAL 28 Ca 0.14 -1.60 -0.03 0.00 -1.01 0.00 0.00 66.70 64.19 1umn h VAL 28 Cb 0.09 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1umn h VAL 28 CO -0.02 0.48 0.09 -0.07 -1.01 0.00 0.00 177.57 177.03 1umn h LEU 29 N 0.20 0.53 -1.14 3.16 3.38 -1.20 -0.66 115.31 119.59 1umn h LEU 29 Ca 0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1umn h LEU 29 Cb 0.87 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1umn h LEU 29 CO 0.07 0.62 -0.14 -1.13 0.09 0.00 0.00 178.44 177.95 1umn h ASN 30 N 0.41 0.42 -0.73 -0.43 -1.24 -0.84 -0.36 115.58 112.81 1umn h ASN 30 Ca 0.11 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1umn h ASN 30 Cb 0.30 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 1umn h ASN 30 CO 0.00 0.59 0.41 -0.61 -1.29 0.00 0.00 177.43 176.54 1umn h GLN 31 N 0.40 1.02 -0.89 6.67 5.75 -0.46 -1.97 115.11 125.62 1umn h GLN 31 Ca 0.07 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 1umn h GLN 31 Cb 0.49 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1umn h GLN 31 CO 0.03 0.75 0.48 0.00 -2.65 0.00 0.00 178.83 177.43 1umn h ALA 32 N 1.21 1.15 -0.49 3.38 0.00 -0.11 -0.07 119.26 124.34 1umn h ALA 32 Ca 0.26 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1umn h ALA 32 Cb 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 1umn h ALA 32 CO -0.04 0.67 0.19 0.28 0.00 0.00 0.00 179.25 180.35 1umn h VAL 33 N 1.26 0.86 0.03 0.00 2.07 -0.37 0.44 116.25 120.54 1umn h VAL 33 Ca 0.31 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1umn h VAL 33 Cb 0.05 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1umn h VAL 33 CO -0.05 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 1umn h ALA 34 N 1.31 -0.04 -0.86 1.67 0.00 -1.04 -2.51 119.26 117.81 1umn h ALA 34 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1umn h ALA 34 Cb 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1umn h ALA 34 CO -0.22 -0.27 0.51 -0.44 0.00 0.00 0.00 179.25 178.83 1umn h ASP 35 N -0.54 1.03 -0.30 0.00 3.32 -0.83 -1.42 116.42 117.68 1umn h ASP 35 Ca -0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1umn h ASP 35 Cb 0.51 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1umn h ASP 35 CO 0.01 0.80 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.98 1umn h LEU 36 N 1.18 0.84 -0.78 1.55 3.38 -0.18 0.11 115.31 121.41 1umn h LEU 36 Ca 0.31 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1umn h LEU 36 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1umn h LEU 36 CO -0.06 1.06 0.23 0.28 0.09 0.00 0.00 178.44 180.04 1umn h SER 37 N 0.69 1.07 -0.06 -0.43 0.02 -0.97 0.74 113.55 114.61 1umn h SER 37 Ca 0.08 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.59 1umn h SER 37 Cb 0.81 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1umn h SER 37 CO 0.07 0.99 -0.90 0.58 -1.14 0.00 0.00 176.83 176.43 1umn h VAL 38 N 1.10 1.28 -0.83 2.27 2.07 -1.13 -2.61 116.25 118.39 1umn h VAL 38 Ca 0.24 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 65.66 1umn h VAL 38 Cb 0.31 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1umn h VAL 38 CO -0.01 0.66 0.55 0.00 0.02 0.00 0.00 177.57 178.79 1umn h ALA 39 N 0.50 1.40 -0.56 1.67 0.00 -0.52 -0.10 119.26 121.65 1umn h ALA 39 Ca -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1umn h ALA 39 Cb 1.54 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1umn h ALA 39 CO 0.18 0.55 0.25 1.25 0.00 0.00 0.00 179.25 181.48 1umn h HIS 40 N 1.13 0.83 -0.69 0.00 6.17 -0.77 -0.50 115.15 121.32 1umn h HIS 40 Ca 0.31 -0.05 -0.05 0.00 0.71 0.00 0.00 60.37 61.28 1umn h HIS 40 Cb -0.13 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.52 1umn h HIS 40 CO 0.00 0.65 0.22 1.03 0.71 0.00 0.00 177.93 180.54 1umn h SER 41 N 0.76 0.98 -0.27 3.26 0.87 -0.93 -1.05 113.55 117.15 1umn h SER 41 Ca 0.19 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1umn h SER 41 Cb 0.16 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1umn h SER 41 CO -0.02 0.91 -0.14 0.40 -0.53 0.00 0.00 176.83 177.45 1umn h ILE 42 N 1.01 1.30 -0.97 2.23 2.04 -0.76 -1.91 117.51 120.46 1umn h ILE 42 Ca 0.22 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1umn h ILE 42 Cb 0.28 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1umn h ILE 42 CO -0.01 0.39 0.64 -0.07 0.00 0.00 0.00 178.15 179.10 1umn h LEU 43 N 0.32 1.08 -0.79 1.44 3.38 -0.87 -1.29 115.31 118.58 1umn h LEU 43 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1umn h LEU 43 Cb 0.65 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1umn h LEU 43 CO 0.04 0.76 0.41 -0.74 0.09 0.00 0.00 178.44 179.00 1umn h HIS 44 N 1.26 1.11 -0.28 1.13 2.76 -1.04 -0.07 115.15 120.03 1umn h HIS 44 Ca 0.37 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1umn h HIS 44 Cb -0.07 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.53 1umn h HIS 44 CO -0.00 0.79 0.17 0.37 -1.30 0.00 0.00 177.93 177.95 1umn h GLN 45 N 1.10 0.38 -0.89 5.26 4.15 -0.55 0.25 115.11 124.82 1umn h GLN 45 Ca 0.28 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.67 1umn h GLN 45 Cb 0.07 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1umn h GLN 45 CO -0.04 0.30 0.59 0.28 -1.93 0.00 0.00 178.83 178.03 1umn h VAL 46 N 0.35 1.22 0.03 2.39 2.07 -0.81 -0.36 116.25 121.14 1umn h VAL 46 Ca 0.10 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1umn h VAL 46 Cb 0.02 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1umn h VAL 46 CO -0.02 0.22 -0.08 -0.74 0.02 0.00 0.00 177.57 176.97 1umn h HIS 47 N 1.20 -0.20 -0.27 1.57 -0.00 -0.57 -2.14 115.15 114.74 1umn h HIS 47 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.60 1umn h HIS 47 Cb -0.12 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1umn h HIS 47 CO -0.01 -0.12 -0.25 -1.49 -0.00 0.00 0.00 177.93 176.06 1umn h TRP 48 N -0.15 0.77 -0.01 5.26 6.55 -0.63 -3.33 115.95 124.41 1umn h TRP 48 Ca 0.02 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1umn h TRP 48 Cb 0.17 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 1umn h TRP 48 CO -0.13 0.95 -0.30 0.66 -1.05 0.00 0.00 178.44 178.56 1umn n TYR 49 N -4.32 0.00 -1.70 0.49 4.02 -0.17 -4.96 117.16 110.52 1umn n TYR 49 Ca -0.04 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.41 1umn n TYR 49 Cb 0.44 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 1umn n TYR 49 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1umn n MET 50 N -0.89 2.26 -3.76 -0.72 1.56 -0.81 -4.47 117.12 110.30 1umn n MET 50 Ca 0.11 0.80 -0.13 0.00 -0.27 0.00 0.00 57.70 58.21 1umn n MET 50 Cb 0.34 -2.51 -0.11 0.00 2.15 0.00 0.00 33.22 33.09 1umn n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1umn s ARG 51 N -0.40 0.38 0.00 2.12 0.52 -1.26 -5.04 118.95 115.28 1umn s ARG 51 Ca 0.67 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1umn s ARG 51 Cb -0.60 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.06 1umn s ARG 51 CO 0.49 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1umn n GLY 52 N 2.87 3.20 3.70 -3.53 0.00 -1.26 -3.43 105.19 106.75 1umn n GLY 52 Ca -0.13 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1umn n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1umn s ARG 53 N -2.31 4.16 0.00 1.61 1.81 -1.26 -1.69 118.95 121.28 1umn s ARG 53 Ca 0.00 2.49 0.00 0.00 -1.72 0.00 0.00 55.73 56.50 1umn s ARG 53 Cb 0.00 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.15 1umn s ARG 53 CO 0.00 -0.74 0.00 0.41 -0.68 0.00 0.00 175.30 174.29 1umn n GLY 54 N 4.01 0.95 0.24 -3.53 0.00 -1.26 -4.91 105.19 100.69 1umn n GLY 54 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1umn n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1umn h PHE 55 N 0.00 0.19 -0.04 1.61 3.57 -1.70 -0.58 116.94 119.99 1umn h PHE 55 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1umn h PHE 55 Cb 0.00 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1umn h PHE 55 CO 0.00 -0.06 0.03 1.98 -2.23 0.00 0.00 178.31 178.03 1umn h MET 56 N 0.25 0.00 0.06 1.11 4.05 -1.94 0.69 114.93 119.15 1umn h MET 56 Ca 0.34 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.38 1umn h MET 56 Cb 0.53 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1umn h MET 56 CO -0.44 0.00 -2.24 0.44 0.23 0.00 0.00 176.91 174.90 1umn n ILE 57 N -4.35 1.64 0.14 1.77 -0.00 -0.73 -4.45 119.36 113.38 1umn n ILE 57 Ca -0.02 -0.61 0.01 0.00 -0.00 0.00 0.00 62.75 62.13 1umn n ILE 57 Cb 0.12 -1.58 0.11 0.00 -0.00 0.00 0.00 39.64 38.30 1umn n ILE 57 CO 0.00 0.00 0.00 -0.50 -0.00 0.00 0.00 176.55 176.05 1umn h TRP 58 N 0.03 0.00 0.42 4.28 4.06 -0.98 -2.52 115.95 121.24 1umn h TRP 58 Ca -0.50 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.43 1umn h TRP 58 Cb 1.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.13 1umn h TRP 58 CO 0.05 0.57 -0.20 1.25 -3.56 0.00 0.00 178.44 176.55 1umn h HIS 59 N 0.00 -0.52 -0.29 0.49 2.76 -1.07 -1.32 115.15 115.19 1umn h HIS 59 Ca -0.01 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1umn h HIS 59 Cb 1.28 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.40 1umn h HIS 59 CO 0.00 -0.29 -0.06 -1.35 -1.30 0.00 0.00 177.93 174.93 1umn h PRO 60 N -0.62 0.46 -0.60 5.26 0.11 -1.77 -2.37 132.00 132.47 1umn h PRO 60 Ca -0.06 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1umn h PRO 60 Cb 0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1umn h PRO 60 CO 0.09 0.54 0.34 -0.22 -0.21 0.00 0.00 178.00 178.54 1umn h LYS 61 N 0.44 0.82 -0.47 1.05 1.63 -1.16 -1.40 116.57 117.48 1umn h LYS 61 Ca 0.09 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1umn h LYS 61 Cb 0.38 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1umn h LYS 61 CO 0.02 0.60 0.21 0.52 -3.45 0.00 0.00 179.45 177.34 1umn h MET 62 N 0.83 0.65 -0.32 1.90 2.86 -0.69 -0.69 114.93 119.48 1umn h MET 62 Ca 0.22 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1umn h MET 62 Cb 0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1umn h MET 62 CO -0.04 0.52 -0.24 0.22 1.06 0.00 0.00 176.91 178.44 1umn h ASP 63 N 0.66 0.63 -0.47 1.22 3.58 -1.25 0.84 116.42 121.63 1umn h ASP 63 Ca 0.16 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1umn h ASP 63 Cb 0.09 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1umn h ASP 63 CO -0.02 0.86 0.20 -0.33 -2.88 0.00 0.00 179.24 177.07 1umn h GLU 64 N 0.55 0.69 -0.78 0.28 5.08 -0.73 -1.20 114.58 118.48 1umn h GLU 64 Ca 0.08 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1umn h GLU 64 Cb 0.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1umn h GLU 64 CO 0.05 0.61 0.29 1.88 -1.00 0.00 0.00 179.01 180.84 1umn h TYR 65 N 0.61 1.20 -0.70 4.33 0.99 -0.81 -1.64 116.97 120.95 1umn h TYR 65 Ca 0.16 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1umn h TYR 65 Cb 0.17 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.51 1umn h TYR 65 CO -0.00 0.92 0.27 0.52 -0.00 0.00 0.00 178.16 179.87 1umn h MET 66 N 1.14 1.04 -0.39 4.88 2.86 -0.52 -0.47 114.93 123.48 1umn h MET 66 Ca 0.26 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1umn h MET 66 Cb 0.24 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1umn h MET 66 CO -0.02 0.86 -0.17 1.49 1.06 0.00 0.00 176.91 180.12 1umn h GLU 67 N 1.02 0.72 -0.46 1.72 4.81 -0.77 -0.06 114.58 121.57 1umn h GLU 67 Ca 0.23 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1umn h GLU 67 Cb 0.21 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1umn h GLU 67 CO -0.02 0.85 -0.20 1.49 -0.73 0.00 0.00 179.01 180.40 1umn h GLU 68 N 0.65 0.91 -0.58 1.92 4.81 -0.81 -0.77 114.58 120.71 1umn h GLU 68 Ca 0.10 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1umn h GLU 68 Cb 0.65 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1umn h GLU 68 CO 0.05 1.03 0.24 0.82 -0.73 0.00 0.00 179.01 180.41 1umn h ILE 69 N 0.79 1.22 -1.01 2.32 1.08 -0.82 -1.20 117.51 119.90 1umn h ILE 69 Ca 0.11 -0.68 0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1umn h ILE 69 Cb 0.75 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 1umn h ILE 69 CO 0.06 0.27 0.66 0.44 -0.69 0.00 0.00 178.15 178.89 1umn h ASP 70 N 0.79 1.10 -0.20 1.72 3.45 -0.71 -0.37 116.42 122.20 1umn h ASP 70 Ca 0.19 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1umn h ASP 70 Cb 0.19 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1umn h ASP 70 CO -0.02 0.74 0.13 1.23 -1.57 0.00 0.00 179.24 179.76 1umn h GLY 71 N 1.27 0.28 1.02 2.75 0.00 -0.25 0.31 103.07 108.45 1umn h GLY 71 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1umn h GLY 71 CO -0.13 0.10 0.56 -0.97 0.00 0.00 0.00 176.54 176.10 1umn h TYR 72 N 0.26 1.26 -0.65 5.60 0.05 -0.63 -1.23 116.97 121.62 1umn h TYR 72 Ca 0.07 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1umn h TYR 72 Cb -0.03 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.27 1umn h TYR 72 CO -0.06 0.84 0.43 1.25 -1.05 0.00 0.00 178.16 179.57 1umn h LEU 73 N 1.31 0.75 0.27 3.88 5.85 -0.48 -0.44 115.31 126.44 1umn h LEU 73 Ca 0.34 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1umn h LEU 73 Cb -0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1umn h LEU 73 CO -0.06 0.55 -0.17 0.44 -0.34 0.00 0.00 178.44 178.85 1umn h ASP 74 N 0.88 -0.44 -0.07 1.25 3.32 -0.26 -0.58 116.42 120.53 1umn h ASP 74 Ca 0.24 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.33 1umn h ASP 74 Cb -0.10 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1umn h ASP 74 CO -0.05 -0.28 -0.03 -0.33 -1.72 0.00 0.00 179.24 176.83 1umn h GLU 75 N -0.43 -0.02 -0.31 3.56 5.08 -0.95 -1.93 114.58 119.59 1umn h GLU 75 Ca -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1umn h GLU 75 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1umn h GLU 75 CO 0.02 -0.01 -0.51 0.52 -1.00 0.00 0.00 179.01 178.03 1umn h MET 76 N -0.02 0.88 -0.40 2.33 2.86 -1.07 -1.65 114.93 117.86 1umn h MET 76 Ca 0.04 -0.53 -0.06 0.00 -2.06 0.00 0.00 59.70 57.08 1umn h MET 76 Cb 0.07 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1umn h MET 76 CO -0.08 1.17 0.00 0.66 1.06 0.00 0.00 176.91 179.73 1umn h SER 77 N 0.68 0.69 -0.68 1.22 4.64 -1.12 -1.43 113.55 117.55 1umn h SER 77 Ca 0.02 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 1umn h SER 77 Cb 1.11 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1umn h SER 77 CO 0.12 0.83 0.15 -0.33 -0.87 0.00 0.00 176.83 176.72 1umn h GLU 78 N 0.53 1.10 -0.74 4.77 5.08 -1.33 -1.52 114.58 122.48 1umn h GLU 78 Ca 0.11 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1umn h GLU 78 Cb 0.47 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1umn h GLU 78 CO 0.02 0.99 0.29 -0.09 -1.00 0.00 0.00 179.01 179.21 1umn h ARG 79 N 1.03 1.11 -0.34 2.33 9.65 -1.17 -0.24 114.38 126.75 1umn h ARG 79 Ca 0.21 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1umn h ARG 79 Cb 0.39 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1umn h ARG 79 CO 0.01 0.91 0.18 1.25 2.80 0.00 0.00 179.97 185.12 1umn h LEU 80 N 1.07 0.42 -0.98 3.80 5.85 -0.92 -0.31 115.31 124.23 1umn h LEU 80 Ca 0.24 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1umn h LEU 80 Cb 0.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1umn h LEU 80 CO -0.02 0.39 0.34 0.40 -0.34 0.00 0.00 178.44 179.21 1umn h ILE 81 N 0.42 1.24 -0.26 4.05 2.04 -1.03 0.17 117.51 124.13 1umn h ILE 81 Ca 0.12 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 1umn h ILE 81 Cb 0.07 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1umn h ILE 81 CO -0.02 0.29 -0.15 0.74 0.00 0.00 0.00 178.15 179.01 1umn h THR 82 N 1.05 1.23 -0.05 -0.27 2.02 -0.62 -1.98 112.91 114.30 1umn h THR 82 Ca 0.25 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1umn h THR 82 Cb 0.13 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1umn h THR 82 CO -0.03 0.33 0.00 0.18 0.37 0.00 0.00 175.52 176.37 1umn n LEU 83 N -4.20 0.48 0.00 2.58 4.77 -0.16 -4.87 117.00 115.60 1umn n LEU 83 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1umn n LEU 83 Cb 0.33 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1umn n LEU 83 CO 0.40 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1umn n GLY 84 N 0.87 0.70 1.68 -0.72 0.00 -0.74 -5.07 105.19 101.91 1umn n GLY 84 Ca 0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1umn n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umn n GLY 85 N -2.54 0.16 2.62 -0.02 0.00 0.54 -4.99 105.19 100.97 1umn n GLY 85 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 1umn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1umn s ALA 86 N -3.23 0.94 0.44 4.61 0.00 -1.26 -4.44 121.76 118.82 1umn s ALA 86 Ca 0.30 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1umn s ALA 86 Cb -0.01 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1umn s ALA 86 CO 0.20 -1.59 1.36 -1.25 0.00 0.00 0.00 175.76 174.48 1umn s PRO 87 N 1.92 3.77 0.41 0.00 0.04 -1.26 -4.94 135.00 134.94 1umn s PRO 87 Ca 0.08 2.27 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1umn s PRO 87 Cb -0.16 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 1umn s PRO 87 CO -0.29 -0.70 1.40 1.19 0.04 0.00 0.00 177.00 178.64 1umn n PHE 88 N -0.13 2.63 -2.63 0.56 0.99 -1.26 -4.90 117.46 112.71 1umn n PHE 88 Ca 0.05 0.46 -0.01 0.00 -0.00 0.00 0.00 57.45 57.95 1umn n PHE 88 Cb 0.43 -2.46 0.06 0.00 -1.00 0.00 0.00 39.48 36.51 1umn n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1umn n SER 89 N 0.17 0.13 -3.80 4.37 3.41 -1.26 -4.95 113.62 111.69 1umn n SER 89 Ca 0.04 -2.08 -0.13 0.00 -0.26 0.00 0.00 58.87 56.44 1umn n SER 89 Cb 0.40 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1umn n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1umn s THR 90 N -1.47 0.05 0.45 6.66 -4.23 -1.26 -5.05 115.64 110.79 1umn s THR 90 Ca 0.18 -0.39 0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1umn s THR 90 Cb 0.34 -0.50 0.31 0.00 1.34 0.00 0.00 72.50 73.99 1umn s THR 90 CO -0.08 -0.21 2.02 -0.07 -0.54 0.00 0.00 174.62 175.74 1umn h LEU 91 N 4.54 0.32 0.14 4.79 3.38 -1.99 -1.76 115.31 124.72 1umn h LEU 91 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1umn h LEU 91 Cb 1.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1umn h LEU 91 CO 0.38 0.21 -0.07 0.50 0.09 0.00 0.00 178.44 179.55 1umn h LYS 92 N 0.36 -0.18 -0.63 1.13 3.64 -1.99 0.06 116.57 118.97 1umn h LYS 92 Ca 0.21 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1umn h LYS 92 Cb 0.35 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1umn h LYS 92 CO -0.05 -0.05 0.39 0.93 -2.27 0.00 0.00 179.45 178.40 1umn h GLU 93 N -0.26 0.75 0.49 1.90 5.08 -1.76 -0.84 114.58 119.94 1umn h GLU 93 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1umn h GLU 93 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1umn h GLU 93 CO 0.03 0.50 -0.30 0.74 -1.00 0.00 0.00 179.01 178.97 1umn h PHE 94 N 0.77 -0.80 -0.49 4.33 0.05 -1.17 -0.93 116.94 118.71 1umn h PHE 94 Ca 0.25 -0.01 0.07 0.00 3.82 0.00 0.00 57.97 62.10 1umn h PHE 94 Cb 0.01 0.29 -0.06 0.00 2.00 0.00 0.00 35.95 38.19 1umn h PHE 94 CO -0.05 -0.47 0.17 1.03 -0.18 0.00 0.00 178.31 178.81 1umn h SER 95 N -0.76 0.16 0.79 2.17 0.87 -0.78 -0.99 113.55 115.01 1umn h SER 95 Ca -0.06 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1umn h SER 95 Cb 0.62 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1umn h SER 95 CO 0.05 0.12 -0.68 -0.33 -0.53 0.00 0.00 176.83 175.46 1umn h GLU 96 N 0.34 0.00 0.00 2.24 5.08 -1.07 -3.28 114.58 117.88 1umn h GLU 96 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1umn h GLU 96 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1umn h GLU 96 CO -0.25 0.68 -1.19 0.09 -1.00 0.00 0.00 179.01 177.34 1umn n ASN 97 N -3.62 0.72 -4.78 1.42 3.02 -0.36 -4.92 115.26 106.74 1umn n ASN 97 Ca -0.01 0.28 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 1umn n ASN 97 Cb 0.69 0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 40.49 1umn n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1umn s SER 98 N -5.26 6.96 0.00 6.41 0.15 -0.39 -4.87 113.70 116.71 1umn s SER 98 Ca -0.02 2.03 0.27 0.00 0.70 0.00 0.00 55.95 58.93 1umn s SER 98 Cb 0.10 -2.59 0.74 0.00 -1.71 0.00 0.00 66.02 62.56 1umn s SER 98 CO 0.81 -0.35 1.57 0.00 1.20 0.00 0.00 173.24 176.47 1umn n GLN 99 N 0.26 1.86 -2.98 5.44 6.02 -1.26 -4.90 117.38 121.82 1umn n GLN 99 Ca 0.03 -1.27 -0.38 0.00 -0.01 0.00 0.00 57.00 55.37 1umn n GLN 99 Cb 0.49 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 1umn n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1umn s LEU 100 N -2.02 4.52 -0.14 1.08 1.43 -1.26 -5.06 118.68 117.23 1umn s LEU 100 Ca 0.34 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1umn s LEU 100 Cb 0.21 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 1umn s LEU 100 CO 0.33 0.14 0.00 -0.54 0.23 0.00 0.00 176.35 176.52 1umn s LYS 101 N -1.42 3.54 0.10 1.70 -0.14 -1.26 -5.08 119.74 117.19 1umn s LYS 101 Ca 0.39 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.60 1umn s LYS 101 Cb -0.21 -2.96 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 1umn s LYS 101 CO 0.25 0.40 0.10 -1.21 -0.76 0.00 0.00 175.35 174.12 1umn s GLU 102 N -0.03 2.90 0.25 1.68 2.02 -1.26 -5.10 118.70 119.16 1umn s GLU 102 Ca 0.03 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1umn s GLU 102 Cb -0.13 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1umn s GLU 102 CO 0.02 0.55 0.08 0.14 0.02 0.00 0.00 175.26 176.07 1umn s VAL 103 N -1.47 0.63 0.45 2.63 -7.23 -1.26 -5.14 120.40 109.01 1umn s VAL 103 Ca 0.30 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.23 1umn s VAL 103 Cb -0.12 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 1umn s VAL 103 CO 0.22 -0.07 1.27 -0.76 -0.31 0.00 0.00 175.10 175.45 1umn s LEU 104 N -3.31 4.09 0.37 1.32 2.01 -1.26 -4.95 118.68 116.95 1umn s LEU 104 Ca 0.36 2.57 -0.28 0.00 0.01 0.00 0.00 54.13 56.79 1umn s LEU 104 Cb 0.08 -4.07 -0.11 0.00 0.01 0.00 0.00 46.19 42.10 1umn s LEU 104 CO 0.12 -1.00 1.47 -0.83 1.01 0.00 0.00 176.35 177.12 1umn s GLY 105 N -0.96 2.94 -0.09 -3.19 0.00 -1.26 -5.01 107.32 99.76 1umn s GLY 105 Ca 0.61 1.54 -0.03 0.00 0.00 0.00 0.00 44.72 46.85 1umn s GLY 105 CO 0.44 2.23 0.07 -0.35 0.00 0.00 0.00 173.10 175.49 1umn s ASP 106 N -0.17 1.58 0.53 1.64 -1.08 -1.26 -5.02 116.67 112.88 1umn s ASP 106 Ca 0.52 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.70 1umn s ASP 106 Cb -0.46 -0.20 1.32 0.00 -1.46 0.00 0.00 42.92 42.13 1umn s ASP 106 CO 0.62 -0.28 1.98 1.88 0.52 0.00 0.00 175.17 179.89 1umn h TYR 107 N 8.42 0.00 0.00 -5.34 -1.99 -1.95 -3.20 116.97 112.91 1umn h TYR 107 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1umn h TYR 107 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1umn h TYR 107 CO 0.37 0.07 0.00 0.09 -0.00 0.00 0.00 178.16 178.69 1umn n ASN 108 N -3.22 0.00 -4.76 3.88 3.02 -1.26 -4.63 115.26 108.30 1umn n ASN 108 Ca 0.00 -0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 53.15 1umn n ASN 108 Cb 0.32 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1umn s VAL 109 N -2.00 3.65 0.67 2.41 1.01 -1.21 -5.02 120.40 119.91 1umn s VAL 109 Ca 0.44 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.96 1umn s VAL 109 Cb 0.20 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1umn s VAL 109 CO 0.34 0.39 1.05 0.42 0.00 0.00 0.00 175.10 177.30 1umn s THR 110 N -1.18 4.13 0.15 3.92 -4.23 -1.26 -4.54 115.64 112.62 1umn s THR 110 Ca 0.44 0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 61.49 1umn s THR 110 Cb -0.30 -3.48 0.04 0.00 1.34 0.00 0.00 72.50 70.10 1umn s THR 110 CO 0.38 -0.87 1.68 0.40 -0.54 0.00 0.00 174.62 175.68 1umn h ILE 111 N -0.51 0.68 -0.41 2.99 1.08 -1.91 -0.68 117.51 118.76 1umn h ILE 111 Ca -0.44 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1umn h ILE 111 Cb 1.21 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1umn h ILE 111 CO 0.58 0.00 0.19 -0.33 -0.69 0.00 0.00 178.15 177.90 1umn h GLU 112 N -0.01 0.56 -0.05 2.37 5.08 -1.92 -0.48 114.58 120.13 1umn h GLU 112 Ca 0.15 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 1umn h GLU 112 Cb 0.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1umn h GLU 112 CO -0.32 0.44 -0.72 1.49 -1.00 0.00 0.00 179.01 178.90 1umn h GLU 113 N 0.57 0.28 -0.25 2.33 4.81 -1.74 -1.67 114.58 118.92 1umn h GLU 113 Ca 0.14 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1umn h GLU 113 Cb 0.07 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1umn h GLU 113 CO -0.02 0.88 0.09 1.96 -0.73 0.00 0.00 179.01 181.19 1umn h GLN 114 N 0.19 0.38 -0.25 1.92 1.08 -0.04 -1.00 115.11 117.39 1umn h GLN 114 Ca -0.02 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1umn h GLN 114 Cb 1.28 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1umn h GLN 114 CO 0.11 0.44 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.25 1umn h LEU 115 N 0.24 0.40 -1.08 1.46 3.38 -1.06 -1.31 115.31 117.32 1umn h LEU 115 Ca 0.08 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1umn h LEU 115 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1umn h LEU 115 CO -0.00 0.54 -0.22 0.00 0.09 0.00 0.00 178.44 178.84 1umn h ALA 116 N 1.50 1.23 -0.25 1.53 0.00 -0.95 -0.85 119.26 121.48 1umn h ALA 116 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1umn h ALA 116 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1umn h ALA 116 CO 0.02 0.50 0.00 -0.09 0.00 0.00 0.00 179.25 179.69 1umn h ARG 117 N 0.34 0.43 -0.59 0.00 9.65 -0.28 -2.22 114.38 121.72 1umn h ARG 117 Ca 0.06 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1umn h ARG 117 Cb 0.59 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1umn h ARG 117 CO 0.04 0.60 0.35 0.28 2.80 0.00 0.00 179.97 184.04 1umn h VAL 118 N 0.21 1.05 -0.72 0.20 2.07 -0.90 -1.92 116.25 116.24 1umn h VAL 118 Ca 0.07 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1umn h VAL 118 Cb 0.40 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1umn h VAL 118 CO 0.01 0.13 0.43 0.58 0.02 0.00 0.00 177.57 178.74 1umn h VAL 119 N 0.69 1.03 -0.16 2.57 2.07 -0.98 -0.45 116.25 121.02 1umn h VAL 119 Ca 0.24 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1umn h VAL 119 Cb 0.05 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1umn h VAL 119 CO -0.11 0.15 0.06 -0.33 0.02 0.00 0.00 177.57 177.35 1umn h GLU 120 N 0.81 0.14 -0.81 1.57 5.08 -0.82 0.29 114.58 120.84 1umn h GLU 120 Ca 0.31 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1umn h GLU 120 Cb 0.12 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1umn h GLU 120 CO -0.15 0.09 0.50 0.28 -1.00 0.00 0.00 179.01 178.72 1umn h VAL 121 N 0.14 1.05 -0.42 3.13 2.07 -0.83 -1.45 116.25 119.94 1umn h VAL 121 Ca 0.07 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 1umn h VAL 121 Cb 0.03 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1umn h VAL 121 CO -0.06 0.17 -0.31 -0.26 0.02 0.00 0.00 177.57 177.13 1umn h PHE 122 N 0.93 1.11 -0.65 1.57 -1.00 -0.43 -1.46 116.94 117.00 1umn h PHE 122 Ca 0.34 -0.30 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1umn h PHE 122 Cb 0.13 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1umn h PHE 122 CO -0.04 1.12 0.43 0.00 -1.61 0.00 0.00 178.31 178.21 1umn h ARG 123 N 0.79 0.85 0.19 1.51 3.08 -0.01 -0.10 114.38 120.70 1umn h ARG 123 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1umn h ARG 123 Cb 0.89 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1umn h ARG 123 CO 0.08 0.56 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.44 1umn h TYR 124 N 0.87 -0.46 -0.71 3.04 3.20 -1.06 -1.14 116.97 120.72 1umn h TYR 124 Ca 0.24 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1umn h TYR 124 Cb -0.09 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1umn h TYR 124 CO -0.03 -0.27 0.40 -0.07 -1.64 0.00 0.00 178.16 176.55 1umn h LEU 125 N -0.40 0.59 -1.45 2.82 3.38 -0.95 0.10 115.31 119.41 1umn h LEU 125 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1umn h LEU 125 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1umn h LEU 125 CO -0.03 0.38 0.16 0.00 0.09 0.00 0.00 178.44 179.03 1umn h ALA 126 N 1.37 1.58 -0.20 1.53 0.00 -0.70 0.27 119.26 123.10 1umn h ALA 126 Ca 0.32 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1umn h ALA 126 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1umn h ALA 126 CO -0.19 0.34 -0.53 0.00 0.00 0.00 0.00 179.25 178.87 1umn h ALA 127 N 1.65 0.34 -0.83 0.00 0.00 0.08 -1.97 119.26 118.53 1umn h ALA 127 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1umn h ALA 127 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1umn h ALA 127 CO -0.02 0.54 0.37 1.25 0.00 0.00 0.00 179.25 181.39 1umn h LEU 128 N 0.43 1.11 -1.07 0.00 5.85 -0.09 -1.33 115.31 120.21 1umn h LEU 128 Ca -0.01 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1umn h LEU 128 Cb 1.14 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1umn h LEU 128 CO 0.11 0.96 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.61 1umn h PHE 129 N 1.19 0.31 -0.35 1.25 0.05 -0.43 0.12 116.94 119.08 1umn h PHE 129 Ca 0.28 -0.07 -0.11 0.00 3.82 0.00 0.00 57.97 61.89 1umn h PHE 129 Cb 0.17 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 1umn h PHE 129 CO 0.02 0.56 -0.23 0.37 -0.18 0.00 0.00 178.31 178.85 1umn h GLN 130 N 0.24 0.70 -0.30 1.51 5.75 -0.72 0.09 115.11 122.38 1umn h GLN 130 Ca 0.03 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.20 1umn h GLN 130 Cb 0.67 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1umn h GLN 130 CO 0.05 0.87 -0.02 0.87 -2.65 0.00 0.00 178.83 177.95 1umn h LYS 131 N 0.61 0.55 -1.00 1.69 6.56 -0.69 -1.17 116.57 123.11 1umn h LYS 131 Ca 0.09 -0.19 0.07 0.00 -1.06 0.00 0.00 60.65 59.56 1umn h LYS 131 Cb 0.72 -0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.27 1umn h LYS 131 CO 0.06 0.71 0.65 0.78 -2.06 0.00 0.00 179.45 179.58 1umn h GLY 132 N 0.33 1.54 0.81 3.86 0.00 -0.39 -0.08 103.07 109.14 1umn h GLY 132 Ca 0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1umn h GLY 132 CO 0.02 0.32 -0.10 -2.75 0.00 0.00 0.00 176.54 174.03 1umn h PHE 133 N 1.16 -0.25 -0.15 5.60 3.57 -0.71 -1.80 116.94 124.35 1umn h PHE 133 Ca 0.44 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1umn h PHE 133 Cb 0.20 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1umn h PHE 133 CO -0.00 -0.01 0.02 -0.44 -2.23 0.00 0.00 178.31 175.64 1umn h ASP 134 N -0.47 -0.02 -0.00 0.41 3.32 -0.72 0.10 116.42 119.03 1umn h ASP 134 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1umn h ASP 134 Cb 0.36 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1umn h ASP 134 CO 0.05 0.01 0.00 0.58 -1.72 0.00 0.00 179.24 178.16 1umn h VAL 135 N 0.07 1.04 -0.22 -1.35 2.07 -1.06 -0.41 116.25 116.41 1umn h VAL 135 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1umn h VAL 135 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1umn h VAL 135 CO -0.11 0.03 -0.16 0.77 0.02 0.00 0.00 177.57 178.12 1umn h SER 136 N -0.05 0.35 -0.47 0.57 4.64 -1.20 -1.84 113.55 115.56 1umn h SER 136 Ca 0.00 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1umn h SER 136 Cb 0.05 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1umn h SER 136 CO -0.00 0.54 -0.17 -0.78 -0.87 0.00 0.00 176.83 175.56 1umn h ASP 137 N 0.34 0.98 -0.80 4.97 3.58 -0.52 -0.04 116.42 124.94 1umn h ASP 137 Ca 0.06 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 1umn h ASP 137 Cb 0.49 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1umn h ASP 137 CO 0.03 1.13 0.40 -0.33 -2.88 0.00 0.00 179.24 177.59 1umn h GLU 138 N 0.85 1.15 -0.04 0.28 3.07 -0.45 -2.10 114.58 117.34 1umn h GLU 138 Ca 0.12 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1umn h GLU 138 Cb 0.73 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1umn h GLU 138 CO 0.06 0.87 0.00 0.39 -1.40 0.00 0.00 179.01 178.93 1umn n GLU 139 N -4.32 1.51 -1.37 2.33 1.02 -0.75 -4.93 120.64 114.14 1umn n GLU 139 Ca 0.08 -0.74 -0.07 0.00 -0.02 0.00 0.00 57.16 56.40 1umn n GLU 139 Cb 0.13 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1umn n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1umn n GLY 140 N 1.11 0.80 3.44 0.62 0.00 -0.70 -4.93 105.19 105.54 1umn n GLY 140 Ca 0.19 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1umn n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1umn s ASP 141 N -2.88 6.91 0.37 1.61 -1.08 -0.11 -4.86 116.67 116.62 1umn s ASP 141 Ca 0.00 -2.67 0.10 0.00 -0.52 0.00 0.00 52.55 49.47 1umn s ASP 141 Cb 0.00 -2.37 0.71 0.00 -1.46 0.00 0.00 42.92 39.80 1umn s ASP 141 CO 0.00 -0.82 1.85 0.77 0.52 0.00 0.00 175.17 177.49 1umn h SER 142 N 7.79 0.14 -0.05 -0.34 4.64 -1.93 -1.72 113.55 122.08 1umn h SER 142 Ca 0.23 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1umn h SER 142 Cb 0.94 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1umn h SER 142 CO 1.14 0.41 -0.00 0.58 -0.87 0.00 0.00 176.83 178.09 1umn h VAL 143 N 0.13 1.25 -0.49 0.95 2.07 -1.96 -1.95 116.25 116.25 1umn h VAL 143 Ca 0.02 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1umn h VAL 143 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1umn h VAL 143 CO 0.04 0.21 0.15 0.74 0.02 0.00 0.00 177.57 178.73 1umn h THR 144 N -0.22 1.20 -0.82 2.57 2.02 -1.94 -2.43 112.91 113.29 1umn h THR 144 Ca 0.01 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1umn h THR 144 Cb 0.34 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1umn h THR 144 CO 0.00 0.26 0.45 -1.13 0.37 0.00 0.00 175.52 175.47 1umn h ASN 145 N 0.71 1.02 -0.12 4.18 -0.73 -1.11 -2.55 115.58 116.98 1umn h ASN 145 Ca 0.17 -0.10 -0.13 0.00 1.87 0.00 0.00 56.30 58.10 1umn h ASN 145 Cb 0.21 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1umn h ASN 145 CO -0.01 0.82 -0.38 -0.78 -0.37 0.00 0.00 177.43 176.71 1umn h ASP 146 N 1.14 0.68 -0.52 1.15 1.82 -0.92 -1.90 116.42 117.86 1umn h ASP 146 Ca 0.29 -0.29 0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1umn h ASP 146 Cb 0.03 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 1umn h ASP 146 CO -0.05 0.99 0.29 0.40 -1.61 0.00 0.00 179.24 179.26 1umn h ILE 147 N 0.53 1.00 -0.42 2.25 2.04 -1.06 -0.65 117.51 121.20 1umn h ILE 147 Ca 0.05 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1umn h ILE 147 Cb 0.89 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1umn h ILE 147 CO 0.08 0.10 -0.24 -0.26 0.00 0.00 0.00 178.15 177.83 1umn h PHE 148 N 0.57 0.99 -0.23 1.37 -1.00 -1.29 -2.29 116.94 115.06 1umn h PHE 148 Ca 0.22 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1umn h PHE 148 Cb 0.08 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1umn h PHE 148 CO -0.08 1.01 0.12 -0.97 -1.61 0.00 0.00 178.31 176.78 1umn h ASN 149 N 0.75 0.29 -0.64 2.17 -0.00 -0.94 0.75 115.58 117.96 1umn h ASN 149 Ca 0.10 -0.09 -0.04 0.00 -0.00 0.00 0.00 56.30 56.27 1umn h ASN 149 Cb 0.78 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 39.00 1umn h ASN 149 CO 0.06 0.29 0.25 0.58 -0.00 0.00 0.00 177.43 178.61 1umn h VAL 150 N 0.26 1.24 -0.46 2.57 2.07 -1.08 -1.39 116.25 119.46 1umn h VAL 150 Ca 0.08 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1umn h VAL 150 Cb 0.07 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1umn h VAL 150 CO -0.01 0.29 0.04 0.00 0.02 0.00 0.00 177.57 177.91 1umn h ALA 151 N 1.10 0.61 -0.75 1.67 0.00 -1.24 -2.87 119.26 117.78 1umn h ALA 151 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1umn h ALA 151 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1umn h ALA 151 CO -0.02 0.37 0.38 -0.22 0.00 0.00 0.00 179.25 179.76 1umn h LYS 152 N 0.64 1.07 -0.22 0.00 3.64 -0.63 -2.22 116.57 118.85 1umn h LYS 152 Ca 0.13 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1umn h LYS 152 Cb 0.44 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1umn h LYS 152 CO 0.02 0.82 0.03 0.00 -2.27 0.00 0.00 179.45 178.05 1umn h ALA 153 N 1.19 0.21 -0.33 5.00 0.00 -1.06 -1.28 119.26 122.98 1umn h ALA 153 Ca 0.26 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1umn h ALA 153 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1umn h ALA 153 CO -0.04 -0.40 0.02 0.66 0.00 0.00 0.00 179.25 179.50 1umn h SER 154 N 0.11 0.56 -0.83 0.00 4.64 -1.34 -1.63 113.55 115.06 1umn h SER 154 Ca 0.10 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1umn h SER 154 Cb 0.11 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 1umn h SER 154 CO -0.14 0.71 0.55 0.40 -0.87 0.00 0.00 176.83 177.47 1umn h ILE 155 N 0.39 1.19 -0.67 0.95 1.08 -1.32 -1.02 117.51 118.12 1umn h ILE 155 Ca 0.10 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.13 1umn h ILE 155 Cb 0.41 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 1umn h ILE 155 CO 0.01 0.20 0.17 -0.33 -0.69 0.00 0.00 178.15 177.52 1umn h GLU 156 N 1.10 1.04 -0.69 2.37 5.08 -1.09 -0.87 114.58 121.53 1umn h GLU 156 Ca 0.31 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1umn h GLU 156 Cb -0.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1umn h GLU 156 CO -0.08 0.91 0.29 -0.22 -1.00 0.00 0.00 179.01 178.92 1umn h LYS 157 N 1.00 1.00 -0.29 2.33 3.64 -0.51 -1.55 116.57 122.18 1umn h LYS 157 Ca 0.21 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1umn h LYS 157 Cb 0.33 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1umn h LYS 157 CO -0.00 0.80 -0.18 0.45 -2.27 0.00 0.00 179.45 178.25 1umn h HIS 158 N 0.99 0.56 -0.46 1.91 3.86 -0.50 -2.54 115.15 118.96 1umn h HIS 158 Ca 0.23 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1umn h HIS 158 Cb 0.16 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1umn h HIS 158 CO 0.01 0.66 0.18 0.82 0.86 0.00 0.00 177.93 180.47 1umn h ILE 159 N 0.47 1.21 -0.05 2.45 2.04 -0.23 -0.18 117.51 123.21 1umn h ILE 159 Ca 0.08 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1umn h ILE 159 Cb 0.57 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1umn h ILE 159 CO 0.04 0.24 -0.21 -0.25 0.00 0.00 0.00 178.15 177.96 1umn h TRP 160 N 0.61 -0.56 -0.15 1.37 7.01 -1.07 0.10 115.95 123.26 1umn h TRP 160 Ca 0.15 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1umn h TRP 160 Cb 0.20 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1umn h TRP 160 CO 0.00 -0.30 0.09 0.52 -2.79 0.00 0.00 178.44 175.97 1umn h MET 161 N -0.31 0.18 -0.42 2.65 2.86 -1.12 0.14 114.93 118.91 1umn h MET 161 Ca 0.07 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1umn h MET 161 Cb 0.42 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1umn h MET 161 CO -0.23 0.12 0.23 -0.07 1.06 0.00 0.00 176.91 178.02 1umn h LEU 162 N 0.19 0.35 -0.80 1.22 3.38 -0.90 -0.41 115.31 118.34 1umn h LEU 162 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1umn h LEU 162 Cb -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1umn h LEU 162 CO -0.02 0.25 0.42 1.56 0.09 0.00 0.00 178.44 180.75 1umn h GLN 163 N 0.46 1.12 -0.81 1.13 1.08 -0.67 -1.60 115.11 115.83 1umn h GLN 163 Ca 0.17 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1umn h GLN 163 Cb 0.05 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 1umn h GLN 163 CO -0.10 0.84 0.41 0.00 -0.95 0.00 0.00 178.83 179.03 1umn h ALA 164 N 1.22 1.04 -0.85 3.87 0.00 -0.03 0.14 119.26 124.65 1umn h ALA 164 Ca 0.28 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1umn h ALA 164 Cb 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1umn h ALA 164 CO -0.04 0.57 0.55 1.49 0.00 0.00 0.00 179.25 181.82 1umn h GLU 165 N 1.13 1.04 -0.03 0.00 4.57 -0.55 -0.65 114.58 120.09 1umn h GLU 165 Ca 0.28 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1umn h GLU 165 Cb 0.08 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1umn h GLU 165 CO -0.04 0.69 0.00 1.28 -1.18 0.00 0.00 179.01 179.76 1umn n LEU 166 N -4.55 0.03 -1.31 1.64 4.77 -0.40 -4.87 117.00 112.31 1umn n LEU 166 Ca 0.10 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1umn n LEU 166 Cb 0.08 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1umn n LEU 166 CO 0.34 0.01 -0.15 0.61 -1.33 0.00 0.00 177.39 176.87 1umn n GLY 167 N 0.43 0.39 3.42 -0.72 0.00 -0.25 -5.02 105.19 103.44 1umn n GLY 167 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1umn n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1umn s GLN 168 N -4.09 1.55 0.66 1.61 -0.21 0.36 -4.99 119.66 114.54 1umn s GLN 168 Ca 0.00 -1.80 -0.11 0.00 0.02 0.00 0.00 55.36 53.46 1umn s GLN 168 Cb 0.00 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.99 1umn s GLN 168 CO 0.00 -0.04 1.06 0.00 -2.12 0.00 0.00 175.29 174.19 1umn s ALA 169 N -3.14 2.99 0.24 6.09 0.00 -1.26 -3.27 121.76 123.42 1umn s ALA 169 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 1umn s ALA 169 Cb 0.05 -3.06 0.28 0.00 0.00 0.00 0.00 23.12 20.39 1umn s ALA 169 CO 0.12 -0.90 1.90 -1.35 0.00 0.00 0.00 175.76 175.53 1umn h PRO 170 N -0.48 1.18 -6.18 0.00 0.11 -1.87 -3.46 132.00 121.30 1umn h PRO 170 Ca -0.44 -0.07 -0.43 0.00 0.11 0.00 0.00 66.00 65.16 1umn h PRO 170 Cb 1.22 -0.27 0.04 0.00 0.11 0.00 0.00 31.00 32.10 1umn h PRO 170 CO 0.62 0.78 -0.86 1.63 -0.21 0.00 0.00 178.00 179.96 1umn n LYS 171 N -4.47 -3.80 0.00 1.05 5.02 -1.26 -4.86 118.16 109.83 1umn n LYS 171 Ca 0.12 0.55 0.04 0.00 -2.02 0.00 0.00 58.31 57.00 1umn n LYS 171 Cb 0.07 -4.88 0.26 0.00 -0.02 0.00 0.00 35.03 30.46 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16