#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn h ALA 23 N 0.00 0.80 -0.09 -1.18 0.00 -2.00 -2.20 119.26 114.59 1umn h ALA 23 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1umn h ALA 23 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1umn h ALA 23 CO 0.00 0.03 -0.53 -0.44 0.00 0.00 0.00 179.25 178.31 1umn h ASP 24 N 0.65 0.28 -0.36 0.00 3.32 -1.98 -1.47 116.42 116.85 1umn h ASP 24 Ca 0.26 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1umn h ASP 24 Cb 0.12 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1umn h ASP 24 CO -0.15 0.76 0.11 0.28 -1.72 0.00 0.00 179.24 178.52 1umn h SER 25 N 0.20 0.53 -0.50 6.45 0.02 -1.79 -0.79 113.55 117.67 1umn h SER 25 Ca 0.00 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1umn h SER 25 Cb 1.00 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1umn h SER 25 CO 0.08 0.60 0.16 0.11 -1.14 0.00 0.00 176.83 176.64 1umn h LYS 26 N 0.44 0.83 -0.47 3.45 1.57 -1.31 -1.11 116.57 119.97 1umn h LYS 26 Ca 0.12 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1umn h LYS 26 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1umn h LYS 26 CO -0.00 0.73 0.05 0.00 -0.57 0.00 0.00 179.45 179.65 1umn h ALA 27 N 1.37 0.63 -0.01 3.86 0.00 -0.84 -1.43 119.26 122.83 1umn h ALA 27 Ca 0.18 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1umn h ALA 27 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1umn h ALA 27 CO -0.01 0.39 -0.76 -0.24 0.00 0.00 0.00 179.25 178.63 1umn h VAL 28 N 0.66 1.49 -0.45 0.00 3.04 -0.93 -0.92 116.25 119.15 1umn h VAL 28 Ca 0.14 -2.45 -0.03 0.00 -1.01 0.00 0.00 66.70 63.34 1umn h VAL 28 Cb 0.44 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 32.03 1umn h VAL 28 CO 0.02 0.71 0.16 -0.07 -1.01 0.00 0.00 177.57 177.38 1umn h LEU 29 N 0.07 0.63 -0.89 3.16 3.38 -1.07 0.09 115.31 120.67 1umn h LEU 29 Ca -0.02 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1umn h LEU 29 Cb 1.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1umn h LEU 29 CO 0.11 0.64 -0.19 -1.13 0.09 0.00 0.00 178.44 177.96 1umn h ASN 30 N 0.58 0.60 -0.68 -0.43 -1.24 -1.13 0.08 115.58 113.35 1umn h ASN 30 Ca 0.15 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 56.97 1umn h ASN 30 Cb 0.22 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 1umn h ASN 30 CO -0.01 0.80 0.45 -0.61 -1.29 0.00 0.00 177.43 176.76 1umn h GLN 31 N 0.54 0.89 -0.61 6.67 5.75 -0.74 -1.70 115.11 125.91 1umn h GLN 31 Ca 0.09 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1umn h GLN 31 Cb 0.63 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 1umn h GLN 31 CO 0.04 0.60 0.33 0.00 -2.65 0.00 0.00 178.83 177.15 1umn h ALA 32 N 1.25 0.79 -0.52 3.38 0.00 -0.15 -0.04 119.26 123.96 1umn h ALA 32 Ca 0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1umn h ALA 32 Cb -0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.36 1umn h ALA 32 CO -0.05 0.31 0.03 0.28 0.00 0.00 0.00 179.25 179.82 1umn h VAL 33 N 0.83 0.62 0.04 0.00 2.07 -0.16 0.44 116.25 120.09 1umn h VAL 33 Ca 0.22 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 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 -0.03 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 177.57 1umn h ALA 34 N 1.45 -0.05 -0.68 1.67 0.00 -0.90 -2.43 119.26 118.32 1umn h ALA 34 Ca 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1umn h ALA 34 Cb 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1umn h ALA 34 CO -0.41 -0.36 0.30 -0.44 0.00 0.00 0.00 179.25 178.34 1umn h ASP 35 N -0.38 0.89 -0.07 0.00 3.32 -0.55 -1.65 116.42 117.97 1umn h ASP 35 Ca -0.00 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1umn h ASP 35 Cb 0.36 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1umn h ASP 35 CO 0.01 0.77 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.92 1umn h LEU 36 N 0.97 0.55 -0.39 1.55 3.38 -0.15 0.12 115.31 121.33 1umn h LEU 36 Ca 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1umn h LEU 36 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1umn h LEU 36 CO -0.03 0.83 0.16 0.28 0.09 0.00 0.00 178.44 179.77 1umn h SER 37 N 0.46 0.55 -0.34 -0.43 0.02 -0.91 -0.58 113.55 112.32 1umn h SER 37 Ca 0.06 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.67 1umn h SER 37 Cb 0.76 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1umn h SER 37 CO 0.06 0.57 -0.43 0.58 -1.14 0.00 0.00 176.83 176.47 1umn h VAL 38 N 0.49 1.27 -1.00 2.27 2.07 -1.10 -2.62 116.25 117.64 1umn h VAL 38 Ca 0.13 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.07 1umn h VAL 38 Cb 0.19 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1umn h VAL 38 CO -0.01 0.53 0.66 0.00 0.02 0.00 0.00 177.57 178.77 1umn h ALA 39 N 0.77 1.32 -0.76 1.67 0.00 -0.60 0.12 119.26 121.79 1umn h ALA 39 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1umn h ALA 39 Cb 1.02 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1umn h ALA 39 CO 0.10 0.60 0.29 1.25 0.00 0.00 0.00 179.25 181.49 1umn h HIS 40 N 1.30 1.16 -0.14 0.00 6.17 -0.97 0.08 115.15 122.75 1umn h HIS 40 Ca 0.38 -0.09 -0.01 0.00 0.71 0.00 0.00 60.37 61.36 1umn h HIS 40 Cb -0.07 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.51 1umn h HIS 40 CO -0.00 0.88 0.04 1.03 0.71 0.00 0.00 177.93 180.59 1umn h SER 41 N 1.10 0.20 -0.52 3.26 0.87 -0.91 -0.81 113.55 116.75 1umn h SER 41 Ca 0.25 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1umn h SER 41 Cb 0.23 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1umn h SER 41 CO -0.02 0.36 0.33 0.40 -0.53 0.00 0.00 176.83 177.37 1umn h ILE 42 N 0.04 1.15 -0.75 2.23 2.04 -0.71 -1.19 117.51 120.32 1umn h ILE 42 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1umn h ILE 42 Cb 0.23 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1umn h ILE 42 CO -0.00 0.14 0.47 -0.07 0.00 0.00 0.00 178.15 178.69 1umn h LEU 43 N 0.70 0.88 -0.87 1.44 3.38 -0.86 -1.12 115.31 118.87 1umn h LEU 43 Ca 0.19 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1umn h LEU 43 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1umn h LEU 43 CO -0.04 0.66 0.12 -0.74 0.09 0.00 0.00 178.44 178.53 1umn h HIS 44 N 1.02 1.00 -0.07 1.13 2.76 -0.32 -0.64 115.15 120.04 1umn h HIS 44 Ca 0.27 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1umn h HIS 44 Cb -0.07 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.60 1umn h HIS 44 CO 0.00 0.85 0.03 0.37 -1.30 0.00 0.00 177.93 177.88 1umn h GLN 45 N 0.91 0.09 -0.45 5.26 4.15 -0.21 -0.68 115.11 124.18 1umn h GLN 45 Ca 0.19 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1umn h GLN 45 Cb 0.37 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1umn h GLN 45 CO 0.01 0.18 0.14 0.28 -1.93 0.00 0.00 178.83 177.50 1umn h VAL 46 N -0.01 0.82 -0.29 2.39 2.07 -0.96 -0.10 116.25 120.16 1umn h VAL 46 Ca 0.02 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1umn h VAL 46 Cb 0.12 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1umn h VAL 46 CO -0.00 0.05 -0.02 -0.74 0.02 0.00 0.00 177.57 176.88 1umn h HIS 47 N 0.29 -0.06 -0.11 1.57 -0.00 -0.86 -2.38 115.15 113.60 1umn h HIS 47 Ca 0.22 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1umn h HIS 47 Cb 0.24 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1umn h HIS 47 CO -0.18 -0.07 -0.10 -1.49 -0.00 0.00 0.00 177.93 176.09 1umn h TRP 48 N 0.06 0.32 -0.14 5.26 6.55 -0.45 -3.32 115.95 124.22 1umn h TRP 48 Ca 0.14 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1umn h TRP 48 Cb 0.20 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 1umn h TRP 48 CO -0.24 0.67 0.00 0.66 -1.05 0.00 0.00 178.44 178.48 1umn n TYR 49 N -4.64 0.18 -1.83 0.49 4.02 -0.11 -4.95 117.16 110.31 1umn n TYR 49 Ca -0.07 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.90 57.32 1umn n TYR 49 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.63 1umn n TYR 49 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1umn s MET 50 N -1.82 4.15 -0.17 -0.72 1.75 -0.90 -4.42 119.30 117.17 1umn s MET 50 Ca 0.32 2.52 -0.15 0.00 -1.25 0.00 0.00 55.69 57.13 1umn s MET 50 Cb 0.17 -3.03 0.05 0.00 2.84 0.00 0.00 34.83 34.86 1umn s MET 50 CO 0.27 -0.57 0.46 1.03 -0.65 0.00 0.00 175.02 175.56 1umn s ARG 51 N -0.75 0.53 0.00 4.11 0.52 -1.26 -5.04 118.95 117.05 1umn s ARG 51 Ca 0.61 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1umn s ARG 51 Cb -0.46 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.25 1umn s ARG 51 CO 0.49 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.15 1umn n GLY 52 N 2.93 3.44 3.72 -3.53 0.00 -1.26 -4.04 105.19 106.45 1umn n GLY 52 Ca -0.14 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1umn n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umn n ARG 53 N -1.44 2.70 0.00 1.61 5.12 -1.26 -1.88 116.66 121.50 1umn n ARG 53 Ca 0.00 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1umn n ARG 53 Cb 0.00 -2.80 0.00 0.00 -1.16 0.00 0.00 32.46 28.50 1umn n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1umn n GLY 54 N 3.56 0.73 0.20 -0.13 0.00 -1.26 -4.92 105.19 103.38 1umn n GLY 54 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.35 -0.30 1.61 3.57 -1.75 0.03 116.94 119.75 1umn h PHE 55 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1umn h PHE 55 Cb 0.00 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1umn h PHE 55 CO 0.00 -0.22 0.29 1.98 -2.23 0.00 0.00 178.31 178.13 1umn h MET 56 N -0.10 0.00 0.03 1.11 4.05 -1.94 0.25 114.93 118.33 1umn h MET 56 Ca 0.16 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.19 1umn h MET 56 Cb 0.34 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 1umn h MET 56 CO -0.37 0.00 -2.35 1.51 0.23 0.00 0.00 176.91 175.93 1umn n ILE 57 N -3.92 1.56 0.14 1.77 0.13 -0.89 -4.46 119.36 113.69 1umn n ILE 57 Ca 0.04 -0.57 0.03 0.00 -1.10 0.00 0.00 62.75 61.16 1umn n ILE 57 Cb 0.44 -1.53 0.03 0.00 -0.84 0.00 0.00 39.64 37.75 1umn n ILE 57 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 1umn h TRP 58 N -0.06 0.00 0.63 9.51 4.06 -0.68 -2.85 115.95 126.56 1umn h TRP 58 Ca -0.55 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.37 1umn h TRP 58 Cb 1.90 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.07 1umn h TRP 58 CO 0.04 0.46 -0.30 1.25 -3.56 0.00 0.00 178.44 176.32 1umn h HIS 59 N 0.00 -0.78 0.00 0.49 2.76 -0.71 -1.59 115.15 115.31 1umn h HIS 59 Ca -0.01 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1umn h HIS 59 Cb 1.36 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.57 1umn h HIS 59 CO 0.00 -0.46 -0.21 -1.00 -1.30 0.00 0.00 177.93 174.96 1umn h PRO 60 N -0.93 0.00 -0.74 5.26 0.13 -1.77 -2.53 132.00 131.42 1umn h PRO 60 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1umn h PRO 60 Cb 0.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 1umn h PRO 60 CO 0.14 0.21 0.33 -0.22 -0.23 0.00 0.00 178.00 178.23 1umn h LYS 61 N 0.00 1.07 -0.48 0.86 1.63 -1.24 -0.38 116.57 118.04 1umn h LYS 61 Ca -0.00 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.65 1umn h LYS 61 Cb 0.47 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1umn h LYS 61 CO 0.03 0.85 0.32 0.52 -3.45 0.00 0.00 179.45 177.71 1umn h MET 62 N 1.06 0.60 -0.61 1.90 2.86 -0.84 0.50 114.93 120.39 1umn h MET 62 Ca 0.25 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1umn h MET 62 Cb 0.15 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1umn h MET 62 CO -0.03 0.39 0.09 0.22 1.06 0.00 0.00 176.91 178.64 1umn h ASP 63 N 0.61 0.95 -0.41 1.22 3.58 -1.05 0.79 116.42 122.13 1umn h ASP 63 Ca 0.18 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1umn h ASP 63 Cb -0.02 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1umn h ASP 63 CO -0.04 0.96 0.04 -0.33 -2.88 0.00 0.00 179.24 176.99 1umn h GLU 64 N 0.94 0.69 -0.69 0.28 5.08 -0.39 -1.86 114.58 118.62 1umn h GLU 64 Ca 0.19 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1umn h GLU 64 Cb 0.42 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1umn h GLU 64 CO 0.01 0.75 0.33 1.88 -1.00 0.00 0.00 179.01 180.98 1umn h TYR 65 N 0.53 0.98 -0.58 4.33 0.99 -0.58 -1.45 116.97 121.19 1umn h TYR 65 Ca 0.12 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1umn h TYR 65 Cb 0.41 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.81 1umn h TYR 65 CO 0.03 0.71 0.15 0.52 -0.00 0.00 0.00 178.16 179.57 1umn h MET 66 N 0.98 0.92 -0.68 4.88 2.86 -0.53 -0.51 114.93 122.85 1umn h MET 66 Ca 0.24 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1umn h MET 66 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1umn h MET 66 CO -0.03 0.85 0.29 0.93 1.06 0.00 0.00 176.91 180.01 1umn h GLU 67 N 0.83 0.99 -0.38 1.72 3.07 -0.76 0.82 114.58 120.88 1umn h GLU 67 Ca 0.18 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1umn h GLU 67 Cb 0.34 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1umn h GLU 67 CO 0.00 0.80 -0.04 1.49 -1.40 0.00 0.00 179.01 179.86 1umn h GLU 68 N 0.98 0.70 -0.61 2.33 4.81 -0.83 -0.30 114.58 121.67 1umn h GLU 68 Ca 0.23 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1umn h GLU 68 Cb 0.16 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1umn h GLU 68 CO -0.02 0.82 0.37 0.82 -0.73 0.00 0.00 179.01 180.27 1umn h ILE 69 N 0.51 1.17 -0.98 2.32 1.08 -0.76 -1.15 117.51 119.71 1umn h ILE 69 Ca 0.10 -0.37 0.09 0.00 -0.39 0.00 0.00 64.86 64.29 1umn h ILE 69 Cb 0.53 0.33 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1umn h ILE 69 CO 0.03 0.18 0.62 0.44 -0.69 0.00 0.00 178.15 178.72 1umn h ASP 70 N 0.82 0.94 -0.28 1.72 3.45 -0.49 -0.99 116.42 121.59 1umn h ASP 70 Ca 0.22 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1umn h ASP 70 Cb -0.04 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1umn h ASP 70 CO -0.04 0.55 0.18 1.23 -1.57 0.00 0.00 179.24 179.59 1umn h GLY 71 N 1.05 0.40 1.29 2.75 0.00 0.12 -0.83 103.07 107.86 1umn h GLY 71 Ca 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 1umn h GLY 71 CO -0.22 0.15 0.19 -0.97 0.00 0.00 0.00 176.54 175.69 1umn h TYR 72 N 0.38 0.91 -0.86 5.60 0.05 -0.55 -1.54 116.97 120.96 1umn h TYR 72 Ca 0.10 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1umn h TYR 72 Cb -0.03 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.40 1umn h TYR 72 CO -0.05 0.73 0.42 1.25 -1.05 0.00 0.00 178.16 179.46 1umn h LEU 73 N 0.87 1.12 0.44 3.88 5.85 -0.72 0.59 115.31 127.33 1umn h LEU 73 Ca 0.20 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1umn h LEU 73 Cb 0.25 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1umn h LEU 73 CO -0.01 0.94 -0.21 0.44 -0.34 0.00 0.00 178.44 179.26 1umn h ASP 74 N 1.22 -0.50 -0.37 1.25 3.32 -0.51 -0.54 116.42 120.29 1umn h ASP 74 Ca 0.30 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.39 1umn h ASP 74 Cb 0.11 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1umn h ASP 74 CO -0.04 -0.32 0.05 -0.33 -1.72 0.00 0.00 179.24 176.89 1umn h GLU 75 N -0.64 0.16 -0.12 3.56 5.08 -1.01 -1.78 114.58 119.83 1umn h GLU 75 Ca -0.06 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 1umn h GLU 75 Cb 0.48 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1umn h GLU 75 CO 0.10 0.10 -0.76 0.52 -1.00 0.00 0.00 179.01 177.98 1umn h MET 76 N 0.16 0.72 -0.43 2.33 2.86 -0.86 -2.22 114.93 117.50 1umn h MET 76 Ca 0.18 -0.62 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 1umn h MET 76 Cb 0.22 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1umn h MET 76 CO -0.25 1.23 0.05 0.66 1.06 0.00 0.00 176.91 179.66 1umn h SER 77 N 0.42 0.69 -0.74 1.22 4.64 -1.08 -1.37 113.55 117.34 1umn h SER 77 Ca -0.06 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1umn h SER 77 Cb 1.40 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1umn h SER 77 CO 0.16 0.79 0.31 -0.33 -0.87 0.00 0.00 176.83 176.88 1umn h GLU 78 N 0.57 1.11 -0.57 4.77 5.08 -1.36 -1.39 114.58 122.80 1umn h GLU 78 Ca 0.13 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1umn h GLU 78 Cb 0.40 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1umn h GLU 78 CO 0.01 0.90 0.14 -0.09 -1.00 0.00 0.00 179.01 178.97 1umn h ARG 79 N 1.09 0.91 -0.51 2.33 9.65 -1.21 0.14 114.38 126.78 1umn h ARG 79 Ca 0.25 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1umn h ARG 79 Cb 0.20 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1umn h ARG 79 CO -0.02 0.85 0.32 1.25 2.80 0.00 0.00 179.97 185.16 1umn h LEU 80 N 0.82 0.60 -0.46 3.80 5.85 -0.81 0.33 115.31 125.44 1umn h LEU 80 Ca 0.18 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1umn h LEU 80 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1umn h LEU 80 CO 0.00 0.47 0.15 0.40 -0.34 0.00 0.00 178.44 179.13 1umn h ILE 81 N 0.68 1.22 -0.66 4.05 2.04 -1.09 0.33 117.51 124.08 1umn h ILE 81 Ca 0.18 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1umn h ILE 81 Cb -0.03 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1umn h ILE 81 CO -0.04 0.26 0.43 0.74 0.00 0.00 0.00 178.15 179.55 1umn h THR 82 N 0.61 1.17 0.00 -0.27 2.02 -0.53 -0.20 112.91 115.71 1umn h THR 82 Ca 0.15 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1umn h THR 82 Cb 0.25 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1umn h THR 82 CO -0.01 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.23 1umn n LEU 83 N -4.43 0.00 0.00 2.58 4.77 0.07 -4.84 117.00 115.15 1umn n LEU 83 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1umn n LEU 83 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1umn n LEU 83 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1umn n GLY 84 N 0.62 0.57 1.94 -0.72 0.00 -0.09 -5.06 105.19 102.45 1umn n GLY 84 Ca 0.14 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.59 0.78 2.60 -0.02 0.00 0.11 -5.00 105.19 101.07 1umn n GLY 85 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.93 0.98 0.45 4.61 0.00 -1.26 -4.44 121.76 119.16 1umn s ALA 86 Ca 0.33 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 1umn s ALA 86 Cb -0.02 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 1umn s ALA 86 CO 0.22 -1.71 1.40 -1.25 0.00 0.00 0.00 175.76 174.42 1umn s PRO 87 N 1.81 3.71 0.40 0.00 0.04 -1.26 -4.94 135.00 134.76 1umn s PRO 87 Ca 0.10 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.23 1umn s PRO 87 Cb -0.17 -2.65 -0.10 0.00 0.04 0.00 0.00 34.50 31.61 1umn s PRO 87 CO -0.29 -0.77 1.42 1.19 0.04 0.00 0.00 177.00 178.59 1umn n PHE 88 N -0.18 2.69 -2.59 0.56 0.99 -1.26 -4.90 117.46 112.76 1umn n PHE 88 Ca 0.05 0.47 -0.01 0.00 -0.00 0.00 0.00 57.45 57.95 1umn n PHE 88 Cb 0.42 -2.47 0.06 0.00 -1.00 0.00 0.00 39.48 36.49 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 0.26 -0.09 -3.83 4.37 3.41 -1.26 -4.95 113.62 111.53 1umn n SER 89 Ca 0.04 -2.09 -0.12 0.00 -0.26 0.00 0.00 58.87 56.43 1umn n SER 89 Cb 0.39 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.17 0.06 0.43 6.66 -4.23 -1.26 -5.05 115.64 111.08 1umn s THR 90 Ca 0.17 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1umn s THR 90 Cb 0.33 -0.46 0.27 0.00 1.34 0.00 0.00 72.50 73.98 1umn s THR 90 CO -0.09 -0.27 2.06 -0.07 -0.54 0.00 0.00 174.62 175.71 1umn h LEU 91 N 4.45 0.40 -0.40 4.79 3.38 -1.99 -1.29 115.31 124.65 1umn h LEU 91 Ca -0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1umn h LEU 91 Cb 1.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1umn h LEU 91 CO 0.40 0.29 0.24 0.50 0.09 0.00 0.00 178.44 179.95 1umn h LYS 92 N 0.47 0.54 -0.62 1.13 3.64 -1.99 -0.01 116.57 119.73 1umn h LYS 92 Ca 0.14 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1umn h LYS 92 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1umn h LYS 92 CO -0.03 0.40 0.06 0.93 -2.27 0.00 0.00 179.45 178.54 1umn h GLU 93 N 0.52 1.04 0.59 1.90 5.08 -1.70 -0.75 114.58 121.27 1umn h GLU 93 Ca 0.14 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1umn h GLU 93 Cb -0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1umn h GLU 93 CO -0.03 0.99 -0.30 0.74 -1.00 0.00 0.00 179.01 179.41 1umn h PHE 94 N 0.95 -0.78 -0.28 4.33 0.05 -0.91 -1.17 116.94 119.13 1umn h PHE 94 Ca 0.18 -0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.99 1umn h PHE 94 Cb 0.48 0.26 -0.04 0.00 2.00 0.00 0.00 35.95 38.66 1umn h PHE 94 CO 0.04 -0.48 0.06 0.77 -0.18 0.00 0.00 178.31 178.52 1umn h SER 95 N -0.82 0.03 0.82 2.17 0.02 -0.97 0.35 113.55 115.15 1umn h SER 95 Ca -0.08 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1umn h SER 95 Cb 0.64 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1umn h SER 95 CO 0.12 0.05 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.16 1umn h GLU 96 N 0.17 0.00 0.00 3.45 5.08 -1.12 -3.26 114.58 118.91 1umn h GLU 96 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1umn h GLU 96 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1umn h GLU 96 CO -0.16 0.38 -1.65 0.09 -1.00 0.00 0.00 179.01 176.66 1umn n ASN 97 N -3.55 0.43 -4.78 1.42 3.02 -0.45 -4.95 115.26 106.40 1umn n ASN 97 Ca -0.00 0.18 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 1umn n ASN 97 Cb 0.50 1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 40.68 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 -5.18 5.96 0.00 6.41 0.15 0.10 -4.89 113.70 116.24 1umn s SER 98 Ca -0.05 2.15 0.25 0.00 0.70 0.00 0.00 55.95 59.00 1umn s SER 98 Cb 0.10 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.29 1umn s SER 98 CO 0.84 -1.06 1.38 0.00 1.20 0.00 0.00 173.24 175.61 1umn n GLN 99 N -1.05 1.31 -3.20 5.44 6.02 -1.26 -4.90 117.38 119.75 1umn n GLN 99 Ca 0.10 -0.95 -0.37 0.00 -0.01 0.00 0.00 57.00 55.77 1umn n GLN 99 Cb 0.51 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.34 4.43 -0.03 1.08 1.43 -1.26 -5.08 118.68 116.91 1umn s LEU 100 Ca 0.25 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1umn s LEU 100 Cb 0.19 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1umn s LEU 100 CO 0.48 0.14 -0.02 -0.54 0.23 0.00 0.00 176.35 176.64 1umn s LYS 101 N -1.62 2.78 0.14 1.70 3.01 -1.26 -5.07 119.74 119.42 1umn s LYS 101 Ca 0.37 -0.57 0.09 0.00 -1.01 0.00 0.00 55.97 54.84 1umn s LYS 101 Cb -0.18 -2.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.95 1umn s LYS 101 CO 0.21 0.64 -0.13 -1.21 0.51 0.00 0.00 175.35 175.37 1umn s GLU 102 N -1.26 1.95 0.24 1.68 2.02 -1.26 -5.09 118.70 116.99 1umn s GLU 102 Ca 0.17 -1.18 0.04 0.00 0.02 0.00 0.00 54.97 54.01 1umn s GLU 102 Cb -0.11 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 1umn s GLU 102 CO 0.07 0.47 0.00 0.14 0.02 0.00 0.00 175.26 175.96 1umn s VAL 103 N -1.37 1.08 0.47 2.63 -7.23 -1.26 -5.13 120.40 109.59 1umn s VAL 103 Ca 0.21 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 1umn s VAL 103 Cb -0.10 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1umn s VAL 103 CO 0.13 -0.28 1.30 -0.76 -0.31 0.00 0.00 175.10 175.17 1umn s LEU 104 N -3.33 4.02 0.60 1.32 1.43 -1.26 -4.96 118.68 116.51 1umn s LEU 104 Ca 0.30 2.62 -0.20 0.00 -1.03 0.00 0.00 54.13 55.82 1umn s LEU 104 Cb 0.06 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1umn s LEU 104 CO 0.10 -1.15 1.32 0.61 0.23 0.00 0.00 176.35 177.46 1umn n GLY 105 N 0.62 0.66 3.11 -3.19 0.00 -1.26 -5.02 105.19 100.11 1umn n GLY 105 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1umn n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1umn s ASP 106 N -1.17 -0.01 0.55 1.61 -1.08 -1.26 -5.03 116.67 110.28 1umn s ASP 106 Ca 0.78 0.67 0.33 0.00 -0.52 0.00 0.00 52.55 53.81 1umn s ASP 106 Cb -0.40 1.20 1.42 0.00 -1.46 0.00 0.00 42.92 43.69 1umn s ASP 106 CO 0.44 -0.26 2.01 1.88 0.52 0.00 0.00 175.17 179.77 1umn h TYR 107 N 8.19 0.00 0.00 -5.34 -1.99 -1.96 -3.05 116.97 112.82 1umn h TYR 107 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 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 0.23 0.04 0.00 0.09 -0.00 0.00 0.00 178.16 178.53 1umn n ASN 108 N -3.18 0.00 -4.77 3.88 3.02 -1.26 -4.60 115.26 108.35 1umn n ASN 108 Ca -0.00 0.11 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1umn n ASN 108 Cb 0.29 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.72 2.45 0.69 2.41 1.01 -1.16 -4.99 120.40 118.09 1umn s VAL 109 Ca 0.21 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1umn s VAL 109 Cb 0.18 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1umn s VAL 109 CO 0.44 0.08 1.02 0.42 0.00 0.00 0.00 175.10 177.06 1umn s THR 110 N -1.19 2.79 0.17 3.92 -4.23 -1.26 -4.65 115.64 111.20 1umn s THR 110 Ca 0.54 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 1umn s THR 110 Cb -0.41 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.31 1umn s THR 110 CO 0.54 -0.22 1.81 0.40 -0.54 0.00 0.00 174.62 176.62 1umn h ILE 111 N -0.55 1.16 -0.69 2.99 1.08 -1.92 -0.14 117.51 119.45 1umn h ILE 111 Ca -0.45 -0.36 0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1umn h ILE 111 Cb 1.29 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1umn h ILE 111 CO 0.62 0.17 0.43 -0.33 -0.69 0.00 0.00 178.15 178.35 1umn h GLU 112 N 0.75 0.83 -0.58 2.37 4.39 -1.95 -0.49 114.58 119.90 1umn h GLU 112 Ca 0.20 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 1umn h GLU 112 Cb -0.02 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1umn h GLU 112 CO -0.04 0.55 -0.01 0.93 -1.16 0.00 0.00 179.01 179.28 1umn h GLU 113 N 0.85 1.02 0.02 2.33 5.08 -1.82 0.21 114.58 122.28 1umn h GLU 113 Ca 0.27 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1umn h GLU 113 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1umn h GLU 113 CO -0.10 1.02 -0.01 1.96 -1.00 0.00 0.00 179.01 180.87 1umn h GLN 114 N 0.91 -0.03 -0.46 2.33 1.08 -0.65 -0.79 115.11 117.49 1umn h GLN 114 Ca 0.16 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1umn h GLN 114 Cb 0.56 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1umn h GLN 114 CO 0.03 0.08 0.03 -0.07 -0.95 0.00 0.00 178.83 177.94 1umn h LEU 115 N -0.13 0.71 -0.94 1.46 3.38 -0.97 -1.82 115.31 117.00 1umn h LEU 115 Ca -0.00 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1umn h LEU 115 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1umn h LEU 115 CO 0.01 0.76 0.07 0.00 0.09 0.00 0.00 178.44 179.37 1umn h ALA 116 N 1.32 1.13 -0.59 1.53 0.00 -0.73 -0.29 119.26 121.62 1umn h ALA 116 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1umn h ALA 116 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1umn h ALA 116 CO 0.01 0.57 0.11 -0.09 0.00 0.00 0.00 179.25 179.85 1umn h ARG 117 N 0.80 0.97 -0.49 0.00 2.43 -0.48 -1.06 114.38 116.56 1umn h ARG 117 Ca 0.17 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1umn h ARG 117 Cb 0.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1umn h ARG 117 CO 0.01 0.92 0.20 0.28 -1.51 0.00 0.00 179.97 179.86 1umn h VAL 118 N 0.88 1.21 -0.67 0.20 2.07 -0.82 -1.00 116.25 118.11 1umn h VAL 118 Ca 0.18 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1umn h VAL 118 Cb 0.41 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1umn h VAL 118 CO 0.01 0.24 0.40 0.58 0.02 0.00 0.00 177.57 178.82 1umn h VAL 119 N 0.64 1.03 -0.24 2.57 2.07 -0.76 0.58 116.25 122.15 1umn h VAL 119 Ca 0.16 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1umn h VAL 119 Cb 0.19 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1umn h VAL 119 CO -0.01 0.14 -0.23 -0.33 0.02 0.00 0.00 177.57 177.16 1umn h GLU 120 N 0.76 0.45 -0.58 1.57 4.39 -0.72 0.31 114.58 120.75 1umn h GLU 120 Ca 0.28 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1umn h GLU 120 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1umn h GLU 120 CO -0.14 0.65 -0.04 0.28 -1.16 0.00 0.00 179.01 178.60 1umn h VAL 121 N 0.40 1.27 -0.41 3.13 2.07 -0.30 -2.20 116.25 120.21 1umn h VAL 121 Ca 0.06 -1.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.29 1umn h VAL 121 Cb 0.62 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1umn h VAL 121 CO 0.04 0.43 -0.16 -0.26 0.02 0.00 0.00 177.57 177.64 1umn h PHE 122 N 0.94 0.85 -0.73 1.57 -1.00 -0.34 -1.03 116.94 117.21 1umn h PHE 122 Ca 0.16 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1umn h PHE 122 Cb 0.60 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 1umn h PHE 122 CO 0.04 0.87 0.22 0.00 -1.61 0.00 0.00 178.31 177.83 1umn h ARG 123 N 0.68 1.13 -0.12 1.51 3.08 -0.75 0.43 114.38 120.34 1umn h ARG 123 Ca 0.11 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1umn h ARG 123 Cb 0.65 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1umn h ARG 123 CO 0.05 0.97 0.05 -0.92 -1.07 0.00 0.00 179.97 179.05 1umn h TYR 124 N 1.09 0.19 -0.64 3.04 3.20 -1.06 -1.78 116.97 121.01 1umn h TYR 124 Ca 0.23 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1umn h TYR 124 Cb 0.32 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1umn h TYR 124 CO 0.03 0.28 0.42 -0.07 -1.64 0.00 0.00 178.16 177.17 1umn h LEU 125 N 0.05 0.70 -1.23 2.82 3.38 -0.78 -0.05 115.31 120.21 1umn h LEU 125 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1umn h LEU 125 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1umn h LEU 125 CO -0.00 0.50 0.25 0.00 0.09 0.00 0.00 178.44 179.28 1umn h ALA 126 N 1.25 1.40 -0.24 1.53 0.00 -0.78 0.13 119.26 122.56 1umn h ALA 126 Ca 0.25 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1umn h ALA 126 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1umn h ALA 126 CO -0.07 0.47 -0.51 0.00 0.00 0.00 0.00 179.25 179.13 1umn h ALA 127 N 1.49 0.66 -0.53 0.00 0.00 -0.67 -1.05 119.26 119.16 1umn h ALA 127 Ca 0.19 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1umn h ALA 127 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1umn h ALA 127 CO -0.02 0.68 0.13 1.25 0.00 0.00 0.00 179.25 181.28 1umn h LEU 128 N 0.52 0.81 -1.33 0.00 5.85 -0.19 -1.73 115.31 119.24 1umn h LEU 128 Ca 0.02 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1umn h LEU 128 Cb 1.07 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1umn h LEU 128 CO 0.10 0.84 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.71 1umn h PHE 129 N 0.75 0.37 -0.48 1.25 0.05 -0.54 0.48 116.94 118.83 1umn h PHE 129 Ca 0.17 -0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.83 1umn h PHE 129 Cb 0.34 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 1umn h PHE 129 CO 0.02 0.44 -0.06 0.37 -0.18 0.00 0.00 178.31 178.90 1umn h GLN 130 N 0.35 0.89 -0.72 1.51 5.75 -0.71 0.15 115.11 122.32 1umn h GLN 130 Ca 0.07 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 58.21 1umn h GLN 130 Cb 0.35 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1umn h GLN 130 CO 0.02 0.96 0.27 -0.22 -2.65 0.00 0.00 178.83 177.21 1umn h LYS 131 N 0.74 1.09 -0.60 1.69 1.63 -0.64 -0.47 116.57 120.01 1umn h LYS 131 Ca 0.13 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1umn h LYS 131 Cb 0.59 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1umn h LYS 131 CO 0.04 0.91 0.27 0.78 -3.45 0.00 0.00 179.45 177.99 1umn h GLY 132 N 1.04 0.94 0.79 5.01 0.00 -0.55 -0.13 103.07 110.18 1umn h GLY 132 Ca 0.24 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1umn h GLY 132 CO -0.02 0.46 -0.14 -2.75 0.00 0.00 0.00 176.54 174.10 1umn h PHE 133 N 0.83 -0.36 -0.13 5.60 3.57 -0.26 -1.58 116.94 124.60 1umn h PHE 133 Ca 0.20 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1umn h PHE 133 Cb 0.15 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1umn h PHE 133 CO 0.00 -0.21 0.04 -0.44 -2.23 0.00 0.00 178.31 175.47 1umn h ASP 134 N -0.29 0.05 -0.17 0.41 3.32 -0.73 -1.01 116.42 117.99 1umn h ASP 134 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1umn h ASP 134 Cb 0.29 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1umn h ASP 134 CO -0.06 0.05 0.11 0.58 -1.72 0.00 0.00 179.24 178.20 1umn h VAL 135 N 0.11 1.06 -0.12 -1.35 2.07 -0.97 -1.58 116.25 115.47 1umn h VAL 135 Ca 0.06 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1umn h VAL 135 Cb 0.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1umn h VAL 135 CO -0.06 0.06 -0.27 0.77 0.02 0.00 0.00 177.57 178.09 1umn h SER 136 N 0.22 0.21 -0.40 0.57 4.64 -1.18 -2.14 113.55 115.47 1umn h SER 136 Ca 0.06 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1umn h SER 136 Cb -0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1umn h SER 136 CO -0.01 0.48 -0.14 -0.78 -0.87 0.00 0.00 176.83 175.50 1umn h ASP 137 N 0.19 0.87 -0.66 4.97 3.58 -0.81 0.53 116.42 125.08 1umn h ASP 137 Ca 0.03 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 1umn h ASP 137 Cb 0.58 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1umn h ASP 137 CO 0.04 1.01 0.13 -0.33 -2.88 0.00 0.00 179.24 177.21 1umn h GLU 138 N 0.77 1.08 -0.00 0.28 5.08 -0.69 -2.65 114.58 118.45 1umn h GLU 138 Ca 0.12 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1umn h GLU 138 Cb 0.67 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1umn h GLU 138 CO 0.05 0.98 -0.06 0.39 -1.00 0.00 0.00 179.01 179.37 1umn n GLU 139 N -4.26 0.73 -1.03 2.33 1.02 -0.86 -4.91 120.64 113.66 1umn n GLU 139 Ca 0.04 -0.18 -0.01 0.00 -0.02 0.00 0.00 57.16 56.99 1umn n GLU 139 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.23 0.49 3.47 0.62 0.00 -0.54 -4.92 105.19 105.54 1umn n GLY 140 Ca 0.16 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.63 6.89 0.38 1.61 -1.08 0.07 -4.85 116.67 117.06 1umn s ASP 141 Ca 0.00 -2.60 0.12 0.00 -0.52 0.00 0.00 52.55 49.55 1umn s ASP 141 Cb 0.00 -2.41 0.77 0.00 -1.46 0.00 0.00 42.92 39.82 1umn s ASP 141 CO 0.00 -0.89 1.87 0.77 0.52 0.00 0.00 175.17 177.44 1umn h SER 142 N 7.83 0.07 0.09 -0.34 4.64 -1.93 -1.23 113.55 122.68 1umn h SER 142 Ca 0.26 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1umn h SER 142 Cb 0.93 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1umn h SER 142 CO 1.21 0.36 -0.05 0.58 -0.87 0.00 0.00 176.83 178.06 1umn h VAL 143 N 0.07 1.07 -0.89 0.95 2.07 -1.96 -1.16 116.25 116.39 1umn h VAL 143 Ca 0.01 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1umn h VAL 143 Cb 0.54 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1umn h VAL 143 CO 0.04 0.15 0.58 0.74 0.02 0.00 0.00 177.57 179.10 1umn h THR 144 N -0.41 1.23 -0.35 2.57 2.02 -1.94 -1.63 112.91 114.41 1umn h THR 144 Ca -0.01 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.79 1umn h THR 144 Cb 0.34 -0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 1umn h THR 144 CO 0.02 0.23 -0.03 -1.13 0.37 0.00 0.00 175.52 174.97 1umn h ASN 145 N 1.21 -0.21 -0.77 4.18 -0.73 -1.02 -2.05 115.58 116.18 1umn h ASN 145 Ca 0.32 0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.53 1umn h ASN 145 Cb -0.12 0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 1umn h ASN 145 CO -0.07 -0.07 0.29 -0.78 -0.37 0.00 0.00 177.43 176.43 1umn h ASP 146 N 0.06 1.08 -0.31 1.15 1.82 -0.69 -1.54 116.42 117.99 1umn h ASP 146 Ca 0.17 -0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1umn h ASP 146 Cb 0.24 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 1umn h ASP 146 CO -0.31 0.97 0.09 0.40 -1.61 0.00 0.00 179.24 178.78 1umn h ILE 147 N 1.12 0.89 -0.35 2.25 2.04 -0.76 -0.89 117.51 121.82 1umn h ILE 147 Ca 0.25 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 1umn h ILE 147 Cb 0.24 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1umn h ILE 147 CO -0.02 0.04 -0.12 -0.26 0.00 0.00 0.00 178.15 177.79 1umn h PHE 148 N 0.21 0.66 -0.32 1.37 -1.00 -1.10 -2.40 116.94 114.37 1umn h PHE 148 Ca 0.14 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1umn h PHE 148 Cb 0.12 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 1umn h PHE 148 CO -0.15 0.71 0.03 -0.97 -1.61 0.00 0.00 178.31 176.32 1umn h ASN 149 N 0.56 0.52 -0.62 2.17 -0.00 -0.70 -0.76 115.58 116.75 1umn h ASN 149 Ca 0.10 -0.28 -0.07 0.00 -0.00 0.00 0.00 56.30 56.05 1umn h ASN 149 Cb 0.54 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.70 1umn h ASN 149 CO 0.03 0.67 0.12 0.58 -0.00 0.00 0.00 177.43 178.83 1umn h VAL 150 N 0.35 1.26 -0.45 2.57 2.07 -1.11 -1.55 116.25 119.40 1umn h VAL 150 Ca 0.09 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1umn h VAL 150 Cb 0.39 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1umn h VAL 150 CO 0.01 0.37 -0.09 0.00 0.02 0.00 0.00 177.57 177.88 1umn h ALA 151 N 1.03 0.62 -0.77 1.67 0.00 -1.35 -2.86 119.26 117.60 1umn h ALA 151 Ca 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1umn h ALA 151 Cb 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1umn h ALA 151 CO 0.01 0.49 0.40 -0.22 0.00 0.00 0.00 179.25 179.93 1umn h LYS 152 N 0.69 1.09 0.02 0.00 3.64 -0.95 -2.15 116.57 118.92 1umn h LYS 152 Ca 0.12 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1umn h LYS 152 Cb 0.63 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1umn h LYS 152 CO 0.04 0.83 -0.09 0.00 -2.27 0.00 0.00 179.45 177.96 1umn h ALA 153 N 1.20 -0.12 -0.43 5.00 0.00 -1.12 -0.49 119.26 123.29 1umn h ALA 153 Ca 0.27 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1umn h ALA 153 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1umn h ALA 153 CO -0.04 -0.59 -0.20 0.66 0.00 0.00 0.00 179.25 179.08 1umn h SER 154 N -0.17 0.87 -0.68 0.00 4.64 -1.42 -1.99 113.55 114.80 1umn h SER 154 Ca 0.03 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1umn h SER 154 Cb 0.20 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1umn h SER 154 CO -0.08 1.05 0.26 0.40 -0.87 0.00 0.00 176.83 177.59 1umn h ILE 155 N 0.75 1.25 -0.28 0.95 1.08 -1.24 -1.20 117.51 118.81 1umn h ILE 155 Ca 0.10 -0.79 -0.06 0.00 -0.39 0.00 0.00 64.86 63.72 1umn h ILE 155 Cb 0.74 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1umn h ILE 155 CO 0.06 0.31 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.41 1umn h GLU 156 N 0.97 0.45 -0.57 2.37 5.08 -0.93 -1.13 114.58 120.83 1umn h GLU 156 Ca 0.22 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1umn h GLU 156 Cb 0.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1umn h GLU 156 CO -0.02 0.55 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.31 1umn h LYS 157 N 0.43 0.99 -0.18 2.33 3.64 -0.73 -1.80 116.57 121.25 1umn h LYS 157 Ca 0.08 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 1umn h LYS 157 Cb 0.43 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1umn h LYS 157 CO 0.02 0.98 -0.24 0.45 -2.27 0.00 0.00 179.45 178.39 1umn h HIS 158 N 0.90 0.35 -0.52 1.91 3.86 -0.43 -2.57 115.15 118.65 1umn h HIS 158 Ca 0.16 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1umn h HIS 158 Cb 0.55 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1umn h HIS 158 CO 0.04 0.54 0.10 0.82 0.86 0.00 0.00 177.93 180.28 1umn h ILE 159 N 0.29 1.25 -0.02 2.45 2.04 -0.64 -0.20 117.51 122.67 1umn h ILE 159 Ca 0.05 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1umn h ILE 159 Cb 0.58 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1umn h ILE 159 CO 0.04 0.33 -0.19 -0.25 0.00 0.00 0.00 178.15 178.09 1umn h TRP 160 N 0.74 -0.48 -0.73 1.37 7.01 -1.01 0.62 115.95 123.46 1umn h TRP 160 Ca 0.16 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 1umn h TRP 160 Cb 0.38 0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 1umn h TRP 160 CO 0.03 -0.27 0.26 0.52 -2.79 0.00 0.00 178.44 176.19 1umn h MET 161 N -0.29 1.12 -0.45 2.65 0.00 -1.18 0.63 114.93 117.40 1umn h MET 161 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 59.70 59.45 1umn h MET 161 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 31.60 31.79 1umn h MET 161 CO -0.19 0.93 -0.09 -0.07 0.00 0.00 0.00 176.91 177.49 1umn h LEU 162 N 1.07 0.87 -0.84 1.22 3.38 -0.90 -1.25 115.31 118.85 1umn h LEU 162 Ca 0.24 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1umn h LEU 162 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1umn h LEU 162 CO -0.01 1.02 0.00 1.56 0.09 0.00 0.00 178.44 181.09 1umn h GLN 163 N 0.70 0.86 -0.31 1.13 1.08 -0.58 -1.55 115.11 116.44 1umn h GLN 163 Ca 0.12 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1umn h GLN 163 Cb 0.63 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1umn h GLN 163 CO 0.04 0.86 0.16 0.00 -0.95 0.00 0.00 178.83 178.94 1umn h ALA 164 N 1.20 0.40 -0.87 3.87 0.00 -0.59 0.23 119.26 123.50 1umn h ALA 164 Ca 0.15 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1umn h ALA 164 Cb 0.48 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1umn h ALA 164 CO 0.02 -0.04 0.52 1.49 0.00 0.00 0.00 179.25 181.24 1umn h GLU 165 N 0.37 0.86 0.00 0.00 4.57 -0.99 0.31 114.58 119.71 1umn h GLU 165 Ca 0.11 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1umn h GLU 165 Cb 0.11 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1umn h GLU 165 CO -0.01 0.57 0.00 1.28 -1.18 0.00 0.00 179.01 179.67 1umn n LEU 166 N -4.68 0.00 -0.86 1.64 4.77 -0.60 -4.89 117.00 112.38 1umn n LEU 166 Ca 0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1umn n LEU 166 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1umn n LEU 166 CO 0.28 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.85 1umn n GLY 167 N 0.51 0.42 3.32 -0.72 0.00 0.10 -5.03 105.19 103.78 1umn n GLY 167 Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.77 1.27 0.74 1.61 -0.21 0.71 -4.99 119.66 115.03 1umn s GLN 168 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.36 53.66 1umn s GLN 168 Cb 0.00 -0.69 0.04 0.00 1.00 0.00 0.00 33.01 33.35 1umn s GLN 168 CO 0.00 -0.02 1.08 0.00 -2.12 0.00 0.00 175.29 174.23 1umn s ALA 169 N -3.33 2.45 0.29 6.09 0.00 -1.26 -3.35 121.76 122.64 1umn s ALA 169 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1umn s ALA 169 Cb 0.04 -3.17 0.42 0.00 0.00 0.00 0.00 23.12 20.41 1umn s ALA 169 CO 0.06 -1.49 1.89 -1.35 0.00 0.00 0.00 175.76 174.87 1umn h PRO 170 N -0.92 0.95 -6.49 0.00 0.11 -1.87 -3.46 132.00 120.32 1umn h PRO 170 Ca -0.45 -0.13 -0.50 0.00 0.11 0.00 0.00 66.00 65.04 1umn h PRO 170 Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1umn h PRO 170 CO 0.56 0.73 -0.92 1.63 -0.21 0.00 0.00 178.00 179.80 1umn n LYS 171 N -4.34 -2.18 0.00 1.05 5.02 -1.26 -4.88 118.16 111.57 1umn n LYS 171 Ca 0.06 0.37 0.07 0.00 -2.02 0.00 0.00 58.31 56.79 1umn n LYS 171 Cb 0.13 -4.13 0.42 0.00 -0.02 0.00 0.00 35.03 31.43 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16