#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 0.28 -0.20 2.46 4.77 -1.26 -4.85 117.00 118.20 1umn n LEU 22 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1umn n LEU 22 Cb 0.00 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 40.85 1umn n LEU 22 CO 0.00 -0.14 1.19 0.00 -1.33 0.00 0.00 177.39 177.11 1umn h ALA 23 N 0.00 1.40 0.03 -1.18 0.00 -1.99 0.26 119.26 117.78 1umn h ALA 23 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1umn h ALA 23 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1umn h ALA 23 CO 0.00 0.51 -0.99 -0.44 0.00 0.00 0.00 179.25 178.34 1umn h ASP 24 N 0.99 0.42 -0.51 0.00 3.32 -1.96 -1.01 116.42 117.67 1umn h ASP 24 Ca 0.26 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1umn h ASP 24 Cb -0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1umn h ASP 24 CO -0.05 1.19 0.10 0.28 -1.72 0.00 0.00 179.24 179.04 1umn h SER 25 N 0.16 0.79 -0.86 6.45 0.02 -1.71 -1.14 113.55 117.25 1umn h SER 25 Ca -0.08 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1umn h SER 25 Cb 1.64 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 1umn h SER 25 CO 0.16 0.83 0.44 0.11 -1.14 0.00 0.00 176.83 177.24 1umn h LYS 26 N 0.71 1.23 -0.49 3.45 1.57 -0.45 -1.22 116.57 121.37 1umn h LYS 26 Ca 0.16 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1umn h LYS 26 Cb 0.36 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1umn h LYS 26 CO 0.01 0.92 -0.19 0.00 -0.57 0.00 0.00 179.45 179.61 1umn h ALA 27 N 1.24 0.74 -0.11 3.86 0.00 -0.79 -1.37 119.26 122.83 1umn h ALA 27 Ca 0.30 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1umn h ALA 27 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1umn h ALA 27 CO -0.04 0.67 -0.61 -0.24 0.00 0.00 0.00 179.25 179.03 1umn h VAL 28 N 0.85 1.36 -0.66 0.00 3.04 -1.01 0.17 116.25 119.99 1umn h VAL 28 Ca 0.12 -1.94 -0.03 0.00 -1.01 0.00 0.00 66.70 63.83 1umn h VAL 28 Cb 0.76 1.94 -0.03 0.00 -2.01 0.00 0.00 31.29 31.95 1umn h VAL 28 CO 0.06 0.59 0.28 -0.07 -1.01 0.00 0.00 177.57 177.42 1umn h LEU 29 N 0.29 0.89 -0.77 3.16 3.38 -1.07 -0.37 115.31 120.83 1umn h LEU 29 Ca -0.01 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 1umn h LEU 29 Cb 1.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1umn h LEU 29 CO 0.10 0.80 -0.39 -1.13 0.09 0.00 0.00 178.44 177.92 1umn h ASN 30 N 0.92 0.50 -0.88 -0.43 -1.24 -1.00 -1.37 115.58 112.08 1umn h ASN 30 Ca 0.22 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 57.03 1umn h ASN 30 Cb 0.18 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 1umn h ASN 30 CO -0.02 0.84 0.58 -0.61 -1.29 0.00 0.00 177.43 176.93 1umn h GLN 31 N 0.40 1.14 -0.49 6.67 5.75 -0.38 -1.53 115.11 126.66 1umn h GLN 31 Ca 0.04 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1umn h GLN 31 Cb 0.86 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1umn h GLN 31 CO 0.07 0.75 0.09 0.00 -2.65 0.00 0.00 178.83 177.09 1umn h ALA 32 N 1.33 1.22 -0.19 3.38 0.00 -0.39 -0.41 119.26 124.20 1umn h ALA 32 Ca 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1umn h ALA 32 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1umn h ALA 32 CO -0.08 0.53 0.10 0.28 0.00 0.00 0.00 179.25 180.08 1umn h VAL 33 N 0.74 1.01 0.25 0.00 2.07 -0.30 0.35 116.25 120.37 1umn h VAL 33 Ca 0.16 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1umn h VAL 33 Cb 0.32 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1umn h VAL 33 CO 0.00 0.04 -0.12 0.00 0.02 0.00 0.00 177.57 177.51 1umn h ALA 34 N 1.09 -0.34 -0.73 1.67 0.00 -1.05 -2.16 119.26 117.74 1umn h ALA 34 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1umn h ALA 34 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1umn h ALA 34 CO -0.04 -0.61 0.43 -0.44 0.00 0.00 0.00 179.25 178.58 1umn h ASP 35 N -0.49 0.89 -0.35 0.00 3.32 -0.95 -1.54 116.42 117.29 1umn h ASP 35 Ca -0.03 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1umn h ASP 35 Cb 0.37 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1umn h ASP 35 CO 0.06 0.70 0.01 -0.07 -1.72 0.00 0.00 179.24 178.21 1umn h LEU 36 N 1.00 0.68 -0.52 1.55 3.38 -0.31 0.21 115.31 121.29 1umn h LEU 36 Ca 0.26 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1umn h LEU 36 Cb -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1umn h LEU 36 CO -0.05 0.74 -0.04 0.28 0.09 0.00 0.00 178.44 179.47 1umn h SER 37 N 0.67 0.93 -0.30 -0.43 0.02 -0.96 -0.32 113.55 113.16 1umn h SER 37 Ca 0.14 -0.33 -0.18 0.00 -0.84 0.00 0.00 61.79 60.58 1umn h SER 37 Cb 0.41 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1umn h SER 37 CO 0.02 1.04 -0.51 0.58 -1.14 0.00 0.00 176.83 176.81 1umn h VAL 38 N 0.81 1.27 -0.83 2.27 2.07 -0.96 -2.64 116.25 118.25 1umn h VAL 38 Ca 0.14 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1umn h VAL 38 Cb 0.58 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1umn h VAL 38 CO 0.03 0.56 0.54 0.00 0.02 0.00 0.00 177.57 178.72 1umn h ALA 39 N 0.69 1.08 -0.88 1.67 0.00 -0.47 -0.44 119.26 120.92 1umn h ALA 39 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1umn h ALA 39 Cb 1.12 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1umn h ALA 39 CO 0.12 0.40 0.56 1.25 0.00 0.00 0.00 179.25 181.58 1umn h HIS 40 N 1.07 1.12 -0.55 0.00 6.17 -0.95 0.29 115.15 122.29 1umn h HIS 40 Ca 0.32 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.35 1umn h HIS 40 Cb -0.04 -0.38 -0.02 0.00 2.52 0.00 0.00 27.41 29.49 1umn h HIS 40 CO -0.02 0.72 0.10 1.03 0.71 0.00 0.00 177.93 180.47 1umn h SER 41 N 1.19 0.87 -0.40 3.26 0.87 -0.96 -1.28 113.55 117.11 1umn h SER 41 Ca 0.32 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1umn h SER 41 Cb -0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.61 1umn h SER 41 CO -0.07 0.91 0.11 0.40 -0.53 0.00 0.00 176.83 177.65 1umn h ILE 42 N 0.80 1.22 -0.66 2.23 2.04 -0.57 -1.41 117.51 121.17 1umn h ILE 42 Ca 0.17 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1umn h ILE 42 Cb 0.40 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1umn h ILE 42 CO 0.01 0.26 0.40 -0.07 0.00 0.00 0.00 178.15 178.75 1umn h LEU 43 N 0.50 0.78 -0.61 1.44 3.38 -0.77 -0.69 115.31 119.34 1umn h LEU 43 Ca 0.13 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1umn h LEU 43 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1umn h LEU 43 CO -0.00 0.60 0.03 -0.74 0.09 0.00 0.00 178.44 178.41 1umn h HIS 44 N 0.90 1.15 -0.36 1.13 2.76 -0.74 -0.67 115.15 119.32 1umn h HIS 44 Ca 0.24 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1umn h HIS 44 Cb -0.04 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 1umn h HIS 44 CO 0.00 1.00 0.23 0.37 -1.30 0.00 0.00 177.93 178.23 1umn h GLN 45 N 0.96 0.48 -0.72 5.26 4.15 -0.36 -0.42 115.11 124.46 1umn h GLN 45 Ca 0.18 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1umn h GLN 45 Cb 0.53 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 1umn h GLN 45 CO 0.03 0.34 0.47 0.28 -1.93 0.00 0.00 178.83 178.01 1umn h VAL 46 N 0.48 1.14 -0.17 2.39 2.07 -0.81 -0.17 116.25 121.17 1umn h VAL 46 Ca 0.13 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1umn h VAL 46 Cb -0.03 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1umn h VAL 46 CO -0.03 0.17 -0.06 -0.74 0.02 0.00 0.00 177.57 176.94 1umn h HIS 47 N 0.93 -0.13 -0.08 1.57 -0.00 -0.71 -2.41 115.15 114.32 1umn h HIS 47 Ca 0.28 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.62 1umn h HIS 47 Cb -0.04 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1umn h HIS 47 CO -0.03 -0.09 -0.13 -1.49 -0.00 0.00 0.00 177.93 176.18 1umn h TRP 48 N -0.02 0.30 -0.01 5.26 6.55 -0.70 -3.34 115.95 123.99 1umn h TRP 48 Ca 0.09 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.83 1umn h TRP 48 Cb 0.15 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1umn h TRP 48 CO -0.21 0.72 -0.09 0.66 -1.05 0.00 0.00 178.44 178.47 1umn n TYR 49 N -4.62 0.00 -1.74 0.49 4.02 -0.11 -4.94 117.16 110.26 1umn n TYR 49 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 1umn n TYR 49 Cb 0.36 -0.09 -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 -0.56 2.69 -3.72 -0.72 1.56 -0.91 -4.41 117.12 111.06 1umn n MET 50 Ca 0.17 0.96 -0.12 0.00 -0.27 0.00 0.00 57.70 58.43 1umn n MET 50 Cb 0.29 -2.73 -0.10 0.00 2.15 0.00 0.00 33.22 32.83 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 -0.54 0.46 0.00 2.12 0.52 -1.26 -5.04 118.95 115.21 1umn s ARG 51 Ca 0.64 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1umn s ARG 51 Cb -0.50 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1umn s ARG 51 CO 0.49 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1umn n GLY 52 N 3.31 3.45 3.72 -3.53 0.00 -1.26 -4.08 105.19 106.81 1umn n GLY 52 Ca -0.16 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.40 4.14 0.00 1.61 1.81 -1.26 -1.41 118.95 121.44 1umn s ARG 53 Ca 0.00 2.57 0.00 0.00 -1.72 0.00 0.00 55.73 56.58 1umn s ARG 53 Cb 0.00 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 1umn s ARG 53 CO 0.00 -0.72 0.00 0.41 -0.68 0.00 0.00 175.30 174.31 1umn n GLY 54 N 3.74 0.60 0.19 -3.53 0.00 -1.26 -4.92 105.19 100.01 1umn n GLY 54 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.04 1.61 3.57 -1.61 -0.26 116.94 120.21 1umn h PHE 55 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1umn h PHE 55 Cb 0.00 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1umn h PHE 55 CO 0.00 -0.08 0.04 1.98 -2.23 0.00 0.00 178.31 178.02 1umn h MET 56 N 0.13 0.00 0.01 1.11 4.05 -1.94 0.37 114.93 118.67 1umn h MET 56 Ca 0.23 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.43 1umn h MET 56 Cb 0.34 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1umn h MET 56 CO -0.37 0.00 -1.22 0.82 0.23 0.00 0.00 176.91 176.37 1umn h ILE 57 N 0.00 0.97 0.00 1.77 1.08 -1.76 -3.40 117.51 116.18 1umn h ILE 57 Ca 0.02 -2.21 -0.12 0.00 -0.39 0.00 0.00 64.86 62.15 1umn h ILE 57 Cb 0.10 2.36 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1umn h ILE 57 CO -0.00 0.39 -0.57 -0.50 -0.69 0.00 0.00 178.15 176.78 1umn h TRP 58 N -0.89 0.00 0.65 1.37 4.06 -0.88 -2.75 115.95 117.51 1umn h TRP 58 Ca -0.32 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.59 1umn h TRP 58 Cb 1.35 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.52 1umn h TRP 58 CO 0.11 0.57 -0.31 1.25 -3.56 0.00 0.00 178.44 176.50 1umn h HIS 59 N 0.00 -0.81 0.00 0.49 2.76 -1.14 -1.58 115.15 114.87 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 1.34 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.56 1umn h HIS 59 CO 0.00 -0.49 -0.23 -1.00 -1.30 0.00 0.00 177.93 174.91 1umn h PRO 60 N -0.91 0.00 -0.82 5.26 0.13 -1.77 -2.44 132.00 131.45 1umn h PRO 60 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1umn h PRO 60 Cb 0.68 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 1umn h PRO 60 CO 0.15 0.23 0.49 -0.22 -0.23 0.00 0.00 178.00 178.42 1umn h LYS 61 N 0.00 1.10 -0.42 0.86 1.63 -1.16 -0.84 116.57 117.74 1umn h LYS 61 Ca -0.00 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1umn h LYS 61 Cb 0.49 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1umn h LYS 61 CO 0.03 0.77 0.28 0.52 -3.45 0.00 0.00 179.45 177.60 1umn h MET 62 N 1.12 0.48 -0.25 1.90 2.86 -0.78 0.46 114.93 120.72 1umn h MET 62 Ca 0.29 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.80 1umn h MET 62 Cb -0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1umn h MET 62 CO -0.06 0.32 -0.28 0.22 1.06 0.00 0.00 176.91 178.18 1umn h ASP 63 N 0.49 0.50 -0.45 1.22 3.58 -1.16 0.12 116.42 120.72 1umn h ASP 63 Ca 0.17 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 1umn h ASP 63 Cb 0.06 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1umn h ASP 63 CO -0.04 0.77 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.66 1umn h GLU 64 N 0.43 0.87 -0.69 0.28 5.08 -0.60 -1.79 114.58 118.16 1umn h GLU 64 Ca 0.06 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1umn h GLU 64 Cb 0.71 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1umn h GLU 64 CO 0.05 0.97 0.20 1.88 -1.00 0.00 0.00 179.01 181.11 1umn h TYR 65 N 0.71 1.12 -0.81 4.33 0.99 -0.71 -1.05 116.97 121.56 1umn h TYR 65 Ca 0.12 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1umn h TYR 65 Cb 0.64 -0.32 -0.04 0.00 1.00 0.00 0.00 36.73 38.01 1umn h TYR 65 CO 0.05 0.90 0.41 0.52 -0.00 0.00 0.00 178.16 180.05 1umn h MET 66 N 1.02 1.15 -0.74 4.88 2.86 -0.58 -0.42 114.93 123.09 1umn h MET 66 Ca 0.22 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1umn h MET 66 Cb 0.32 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1umn h MET 66 CO -0.00 0.87 0.30 0.93 1.06 0.00 0.00 176.91 180.06 1umn h GLU 67 N 1.14 1.10 -0.20 1.72 3.07 -0.82 -0.61 114.58 119.98 1umn h GLU 67 Ca 0.28 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1umn h GLU 67 Cb 0.08 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1umn h GLU 67 CO -0.04 0.90 0.12 1.49 -1.40 0.00 0.00 179.01 180.07 1umn h GLU 68 N 1.08 0.27 -0.78 2.33 4.57 -0.58 -1.03 114.58 120.44 1umn h GLU 68 Ca 0.25 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1umn h GLU 68 Cb 0.20 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1umn h GLU 68 CO -0.02 0.22 0.46 0.82 -1.18 0.00 0.00 179.01 179.31 1umn h ILE 69 N 0.23 1.22 -0.99 2.32 1.08 -0.86 -1.61 117.51 118.90 1umn h ILE 69 Ca 0.07 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1umn h ILE 69 Cb 0.02 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 1umn h ILE 69 CO -0.01 0.23 0.65 0.44 -0.69 0.00 0.00 178.15 178.77 1umn h ASP 70 N 1.06 1.12 -0.53 1.72 3.45 -0.82 -1.06 116.42 121.36 1umn h ASP 70 Ca 0.28 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 1umn h ASP 70 Cb -0.03 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 1umn h ASP 70 CO -0.05 0.80 0.25 1.23 -1.57 0.00 0.00 179.24 179.90 1umn h GLY 71 N 1.31 0.82 1.15 2.75 0.00 -0.29 -0.25 103.07 108.56 1umn h GLY 71 Ca 0.37 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1umn h GLY 71 CO -0.09 0.39 0.24 -0.97 0.00 0.00 0.00 176.54 176.11 1umn h TYR 72 N 0.71 1.10 -0.54 5.60 0.05 -0.74 -1.53 116.97 121.62 1umn h TYR 72 Ca 0.18 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1umn h TYR 72 Cb 0.12 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1umn h TYR 72 CO -0.00 0.86 0.19 1.25 -1.05 0.00 0.00 178.16 179.41 1umn h LEU 73 N 1.04 0.77 -0.07 3.88 5.85 -0.75 -0.19 115.31 125.83 1umn h LEU 73 Ca 0.23 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1umn h LEU 73 Cb 0.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1umn h LEU 73 CO -0.01 0.76 -0.01 0.44 -0.34 0.00 0.00 178.44 179.28 1umn h ASP 74 N 0.74 -0.04 -0.42 1.25 3.32 -0.68 0.61 116.42 121.20 1umn h ASP 74 Ca 0.18 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1umn h ASP 74 Cb 0.25 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1umn h ASP 74 CO -0.01 -0.01 0.22 -0.33 -1.72 0.00 0.00 179.24 177.40 1umn h GLU 75 N 0.02 0.60 0.03 3.56 4.39 -0.97 -1.70 114.58 120.50 1umn h GLU 75 Ca 0.03 -0.07 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 1umn h GLU 75 Cb 0.04 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1umn h GLU 75 CO -0.06 0.49 -1.09 0.52 -1.16 0.00 0.00 179.01 177.71 1umn h MET 76 N 0.55 0.66 -0.49 2.33 2.86 -0.97 -2.27 114.93 117.60 1umn h MET 76 Ca 0.15 -0.75 -0.08 0.00 -2.06 0.00 0.00 59.70 56.96 1umn h MET 76 Cb 0.07 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1umn h MET 76 CO -0.02 1.33 0.00 0.66 1.06 0.00 0.00 176.91 179.94 1umn h SER 77 N 0.36 0.85 -0.63 1.22 4.64 -0.89 -1.44 113.55 117.66 1umn h SER 77 Ca -0.14 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 60.81 1umn h SER 77 Cb 1.74 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.58 1umn h SER 77 CO 0.21 0.95 0.14 -0.33 -0.87 0.00 0.00 176.83 176.93 1umn h GLU 78 N 0.73 1.03 -0.66 4.77 5.08 -1.37 -1.47 114.58 122.70 1umn h GLU 78 Ca 0.14 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1umn h GLU 78 Cb 0.51 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1umn h GLU 78 CO 0.02 0.93 0.10 -0.09 -1.00 0.00 0.00 179.01 178.97 1umn h ARG 79 N 0.98 1.10 -0.39 2.33 9.65 -1.21 -0.08 114.38 126.76 1umn h ARG 79 Ca 0.20 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1umn h ARG 79 Cb 0.37 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1umn h ARG 79 CO 0.00 1.01 0.25 1.25 2.80 0.00 0.00 179.97 185.28 1umn h LEU 80 N 1.01 0.45 -0.45 3.80 5.85 -0.92 -0.49 115.31 124.56 1umn h LEU 80 Ca 0.20 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1umn h LEU 80 Cb 0.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1umn h LEU 80 CO 0.01 0.35 0.20 0.40 -0.34 0.00 0.00 178.44 179.06 1umn h ILE 81 N 0.52 1.19 -0.29 4.05 2.04 -1.10 0.17 117.51 124.09 1umn h ILE 81 Ca 0.14 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1umn h ILE 81 Cb -0.04 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1umn h ILE 81 CO -0.03 0.22 0.19 0.74 0.00 0.00 0.00 178.15 179.27 1umn h THR 82 N 0.59 1.07 -0.03 -0.27 2.02 -0.58 -0.39 112.91 115.32 1umn h THR 82 Ca 0.15 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1umn h THR 82 Cb 0.15 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1umn h THR 82 CO -0.02 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.12 1umn n LEU 83 N -4.49 0.45 0.00 2.58 4.77 -0.23 -4.87 117.00 115.20 1umn n LEU 83 Ca 0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1umn n LEU 83 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1umn n LEU 83 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1umn n GLY 84 N 0.95 0.71 3.77 -0.72 0.00 -0.16 -5.07 105.19 104.67 1umn n GLY 84 Ca 0.18 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.49 0.54 2.74 -0.02 0.00 0.54 -5.00 105.19 101.51 1umn n GLY 85 Ca 0.00 -2.01 -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 -3.21 1.26 0.43 4.61 0.00 -1.26 -4.41 121.76 119.18 1umn s ALA 86 Ca 0.65 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 1umn s ALA 86 Cb -0.04 -1.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.64 1umn s ALA 86 CO 0.43 -1.37 1.22 -1.25 0.00 0.00 0.00 175.76 174.79 1umn s PRO 87 N 1.74 3.87 0.48 0.00 0.04 -1.26 -4.96 135.00 134.92 1umn s PRO 87 Ca 0.03 1.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1umn s PRO 87 Cb -0.17 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 1umn s PRO 87 CO -0.15 -0.50 1.13 1.19 0.04 0.00 0.00 177.00 178.71 1umn n PHE 88 N -0.16 1.55 -2.46 0.56 0.99 -1.26 -4.90 117.46 111.78 1umn n PHE 88 Ca 0.05 0.49 -0.02 0.00 -0.00 0.00 0.00 57.45 57.98 1umn n PHE 88 Cb 0.46 -2.27 0.03 0.00 -1.00 0.00 0.00 39.48 36.70 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 -0.08 -0.32 -3.86 4.37 3.41 -1.26 -4.95 113.62 110.92 1umn n SER 89 Ca 0.10 -2.07 -0.11 0.00 -0.26 0.00 0.00 58.87 56.52 1umn n SER 89 Cb 0.42 0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.65 0.09 0.33 6.66 -4.23 -1.26 -5.06 115.64 111.53 1umn s THR 90 Ca 0.14 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1umn s THR 90 Cb 0.27 -0.60 0.25 0.00 1.34 0.00 0.00 72.50 73.76 1umn s THR 90 CO -0.08 -0.42 1.99 -0.07 -0.54 0.00 0.00 174.62 175.49 1umn h LEU 91 N 3.99 0.78 -0.66 4.79 3.38 -1.99 -1.79 115.31 123.80 1umn h LEU 91 Ca -0.31 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1umn h LEU 91 Cb 1.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1umn h LEU 91 CO 0.43 0.58 0.25 0.50 0.09 0.00 0.00 178.44 180.30 1umn h LYS 92 N 0.91 1.00 -0.52 1.13 3.64 -1.99 -0.66 116.57 120.08 1umn h LYS 92 Ca 0.24 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1umn h LYS 92 Cb -0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1umn h LYS 92 CO -0.05 0.84 0.13 0.93 -2.27 0.00 0.00 179.45 179.03 1umn h GLU 93 N 0.94 0.84 0.11 1.90 5.08 -1.83 -0.34 114.58 121.28 1umn h GLU 93 Ca 0.22 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1umn h GLU 93 Cb 0.23 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1umn h GLU 93 CO -0.02 0.80 -0.06 0.74 -1.00 0.00 0.00 179.01 179.47 1umn h PHE 94 N 0.73 -0.16 -0.46 4.33 0.05 -1.08 -1.28 116.94 119.08 1umn h PHE 94 Ca 0.16 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.93 1umn h PHE 94 Cb 0.34 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 1umn h PHE 94 CO 0.02 -0.10 0.20 1.03 -0.18 0.00 0.00 178.31 179.29 1umn h SER 95 N -0.16 0.61 0.08 2.17 0.87 -0.98 -0.98 113.55 115.16 1umn h SER 95 Ca -0.01 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.21 1umn h SER 95 Cb 0.13 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1umn h SER 95 CO 0.02 0.59 -0.70 -0.33 -0.53 0.00 0.00 176.83 175.88 1umn h GLU 96 N 0.60 0.56 0.00 2.24 5.08 -1.04 -3.27 114.58 118.74 1umn h GLU 96 Ca 0.15 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1umn h GLU 96 Cb 0.16 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1umn h GLU 96 CO -0.02 1.05 -0.50 -0.91 -1.00 0.00 0.00 179.01 177.64 1umn h ASN 97 N 0.39 0.00 -3.92 1.42 2.35 -1.19 -3.46 115.58 111.17 1umn h ASN 97 Ca -0.03 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.23 1umn h ASN 97 Cb 1.29 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.69 1umn h ASN 97 CO 0.13 0.20 0.46 -0.55 -1.65 0.00 0.00 177.43 176.02 1umn s SER 98 N -6.05 6.78 0.00 5.81 0.15 -0.38 -4.88 113.70 115.14 1umn s SER 98 Ca 0.04 2.22 0.27 0.00 0.70 0.00 0.00 55.95 59.17 1umn s SER 98 Cb 0.07 -2.61 0.81 0.00 -1.71 0.00 0.00 66.02 62.58 1umn s SER 98 CO 0.73 -0.48 1.60 0.00 1.20 0.00 0.00 173.24 176.29 1umn n GLN 99 N 0.29 0.67 -2.29 5.44 6.02 -1.26 -4.88 117.38 121.37 1umn n GLN 99 Ca 0.03 -0.37 -0.33 0.00 -0.01 0.00 0.00 57.00 56.33 1umn n GLN 99 Cb 0.47 -1.49 -0.02 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 -2.58 3.61 -0.05 1.08 1.43 -1.26 -5.06 118.68 115.85 1umn s LEU 100 Ca 0.23 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1umn s LEU 100 Cb 0.19 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 1umn s LEU 100 CO 0.54 -0.83 -0.24 -1.59 0.23 0.00 0.00 176.35 174.46 1umn s LYS 101 N -3.94 2.49 0.07 1.70 0.00 -1.26 -5.07 119.74 113.73 1umn s LYS 101 Ca 0.62 -0.88 0.03 0.00 0.00 0.00 0.00 55.97 55.73 1umn s LYS 101 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 37.83 35.48 1umn s LYS 101 CO 0.31 0.43 0.08 -1.21 0.00 0.00 0.00 175.35 174.97 1umn s GLU 102 N -0.28 2.92 0.19 1.78 2.02 -1.26 -5.10 118.70 118.96 1umn s GLU 102 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1umn s GLU 102 Cb -0.13 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 1umn s GLU 102 CO 0.03 0.58 -0.11 0.14 0.02 0.00 0.00 175.26 175.91 1umn s VAL 103 N -1.37 1.42 0.52 2.63 -7.23 -1.26 -5.12 120.40 109.99 1umn s VAL 103 Ca 0.29 -2.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 1umn s VAL 103 Cb -0.12 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1umn s VAL 103 CO 0.21 -0.61 1.27 -0.76 -0.31 0.00 0.00 175.10 174.91 1umn s LEU 104 N -3.26 3.88 0.55 1.32 1.43 -1.26 -4.96 118.68 116.38 1umn s LEU 104 Ca 0.21 2.56 -0.21 0.00 -1.03 0.00 0.00 54.13 55.66 1umn s LEU 104 Cb 0.02 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 1umn s LEU 104 CO 0.05 -1.36 1.31 -0.83 0.23 0.00 0.00 176.35 175.75 1umn s GLY 105 N -1.18 2.85 -0.23 -3.19 0.00 -1.26 -5.03 107.32 99.29 1umn s GLY 105 Ca 0.70 1.23 -0.04 0.00 0.00 0.00 0.00 44.72 46.60 1umn s GLY 105 CO 0.41 1.71 0.38 -0.35 0.00 0.00 0.00 173.10 175.26 1umn s ASP 106 N -1.13 0.10 0.16 1.64 -1.08 -1.26 -5.03 116.67 110.07 1umn s ASP 106 Ca 0.72 0.46 0.16 0.00 -0.52 0.00 0.00 52.55 53.37 1umn s ASP 106 Cb -0.37 1.16 0.74 0.00 -1.46 0.00 0.00 42.92 42.99 1umn s ASP 106 CO 0.43 -0.28 1.49 -1.22 0.52 0.00 0.00 175.17 176.11 1umn n TYR 107 N 5.37 0.43 1.27 -5.34 4.02 -1.26 -2.78 117.16 118.87 1umn n TYR 107 Ca -0.05 0.19 0.10 0.00 -0.01 0.00 0.00 57.90 58.14 1umn n TYR 107 Cb 0.50 -0.81 0.39 0.00 -0.02 0.00 0.00 39.34 39.40 1umn n TYR 107 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1umn n ASN 108 N -1.91 1.56 -4.75 7.72 3.02 -1.26 -4.62 115.26 115.02 1umn n ASN 108 Ca 0.01 -1.69 -0.41 0.00 -0.03 0.00 0.00 54.58 52.47 1umn n ASN 108 Cb 0.12 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.80 3.54 0.73 2.41 1.01 -1.12 -5.01 120.40 120.16 1umn s VAL 109 Ca 0.32 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.65 1umn s VAL 109 Cb 0.17 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1umn s VAL 109 CO 0.26 0.31 1.12 0.42 0.00 0.00 0.00 175.10 177.21 1umn s THR 110 N -0.80 3.11 0.10 3.92 -4.23 -1.26 -4.62 115.64 111.87 1umn s THR 110 Ca 0.47 0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 61.09 1umn s THR 110 Cb -0.32 -3.35 -0.10 0.00 1.34 0.00 0.00 72.50 70.07 1umn s THR 110 CO 0.40 -0.47 1.69 0.40 -0.54 0.00 0.00 174.62 176.09 1umn h ILE 111 N -0.76 0.69 -0.62 2.99 1.08 -1.92 -0.14 117.51 118.83 1umn h ILE 111 Ca -0.45 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.12 1umn h ILE 111 Cb 1.27 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 1umn h ILE 111 CO 0.64 0.00 0.21 -0.33 -0.69 0.00 0.00 178.15 177.99 1umn h GLU 112 N -0.26 0.37 -0.73 2.37 3.07 -1.94 -0.07 114.58 117.38 1umn h GLU 112 Ca 0.02 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1umn h GLU 112 Cb 0.28 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1umn h GLU 112 CO -0.08 0.24 0.28 0.93 -1.40 0.00 0.00 179.01 178.98 1umn h GLU 113 N 0.38 1.09 -0.31 2.33 5.08 -1.81 0.19 114.58 121.53 1umn h GLU 113 Ca 0.32 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1umn h GLU 113 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1umn h GLU 113 CO -0.33 0.90 0.07 1.96 -1.00 0.00 0.00 179.01 180.60 1umn h GLN 114 N 1.07 0.49 -0.32 2.33 1.08 0.03 -0.27 115.11 119.51 1umn h GLN 114 Ca 0.24 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1umn h GLN 114 Cb 0.22 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1umn h GLN 114 CO -0.02 0.56 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.20 1umn h LEU 115 N 0.33 0.57 -0.86 1.46 3.38 -0.84 -1.72 115.31 117.63 1umn h LEU 115 Ca 0.10 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1umn h LEU 115 Cb 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1umn h LEU 115 CO 0.00 0.75 -0.19 0.00 0.09 0.00 0.00 178.44 179.09 1umn h ALA 116 N 1.31 1.03 -0.53 1.53 0.00 -0.68 -0.63 119.26 121.30 1umn h ALA 116 Ca 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1umn h ALA 116 Cb 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1umn h ALA 116 CO 0.04 0.58 0.13 -0.09 0.00 0.00 0.00 179.25 179.91 1umn h ARG 117 N 0.57 0.84 -0.72 0.00 1.12 -0.58 -0.89 114.38 114.72 1umn h ARG 117 Ca 0.09 -0.20 -0.04 0.00 -1.11 0.00 0.00 59.98 58.72 1umn h ARG 117 Cb 0.64 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.46 1umn h ARG 117 CO 0.05 0.80 0.30 0.28 -3.11 0.00 0.00 179.97 178.29 1umn h VAL 118 N 0.74 1.25 -0.52 0.20 2.07 -0.88 -1.47 116.25 117.63 1umn h VAL 118 Ca 0.17 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1umn h VAL 118 Cb 0.33 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1umn h VAL 118 CO 0.00 0.31 0.27 0.58 0.02 0.00 0.00 177.57 178.75 1umn h VAL 119 N 1.03 0.98 -0.27 2.57 2.07 -0.69 0.93 116.25 122.87 1umn h VAL 119 Ca 0.24 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1umn h VAL 119 Cb 0.19 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1umn h VAL 119 CO -0.02 0.10 0.02 -0.33 0.02 0.00 0.00 177.57 177.35 1umn h GLU 120 N 0.53 0.10 -0.66 1.57 5.08 -0.47 0.16 114.58 120.91 1umn h GLU 120 Ca 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1umn h GLU 120 Cb 0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1umn h GLU 120 CO -0.14 0.07 0.40 0.28 -1.00 0.00 0.00 179.01 178.62 1umn h VAL 121 N 0.11 1.19 -0.38 3.13 2.07 -0.79 -2.08 116.25 119.50 1umn h VAL 121 Ca 0.13 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1umn h VAL 121 Cb 0.15 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1umn h VAL 121 CO -0.20 0.19 -0.08 -0.26 0.02 0.00 0.00 177.57 177.24 1umn h PHE 122 N 0.89 0.69 -0.57 1.57 -1.00 0.03 -0.92 116.94 117.63 1umn h PHE 122 Ca 0.24 -0.11 -0.10 0.00 2.81 0.00 0.00 57.97 60.81 1umn h PHE 122 Cb -0.04 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 1umn h PHE 122 CO -0.02 0.71 -0.03 0.00 -1.61 0.00 0.00 178.31 177.36 1umn h ARG 123 N 0.60 1.03 -0.35 1.51 3.08 -0.45 0.44 114.38 120.24 1umn h ARG 123 Ca 0.11 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1umn h ARG 123 Cb 0.50 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1umn h ARG 123 CO 0.03 1.04 0.20 -0.92 -1.07 0.00 0.00 179.97 179.25 1umn h TYR 124 N 0.92 0.47 -0.68 3.04 3.20 -0.96 -0.13 116.97 122.83 1umn h TYR 124 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1umn h TYR 124 Cb 0.59 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1umn h TYR 124 CO 0.04 0.35 0.26 -0.07 -1.64 0.00 0.00 178.16 177.10 1umn h LEU 125 N 0.45 0.96 -1.11 2.82 3.38 -0.94 0.23 115.31 121.10 1umn h LEU 125 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1umn h LEU 125 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1umn h LEU 125 CO -0.02 0.88 0.27 0.00 0.09 0.00 0.00 178.44 179.66 1umn h ALA 126 N 1.11 1.30 -0.35 1.53 0.00 -0.61 0.21 119.26 122.45 1umn h ALA 126 Ca 0.23 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1umn h ALA 126 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1umn h ALA 126 CO -0.02 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.57 1umn h ALA 127 N 1.41 0.50 -0.54 0.00 0.00 -0.28 -2.02 119.26 118.33 1umn h ALA 127 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1umn h ALA 127 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1umn h ALA 127 CO -0.02 0.44 0.35 1.25 0.00 0.00 0.00 179.25 181.27 1umn h LEU 128 N 0.54 0.62 -1.33 0.00 7.12 -0.01 -1.57 115.31 120.68 1umn h LEU 128 Ca 0.08 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1umn h LEU 128 Cb 0.74 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1umn h LEU 128 CO 0.06 0.45 -0.09 -0.26 -0.13 0.00 0.00 178.44 178.47 1umn h PHE 129 N 0.73 0.36 -0.54 1.25 0.05 -0.47 0.12 116.94 118.43 1umn h PHE 129 Ca 0.20 -0.04 -0.12 0.00 3.82 0.00 0.00 57.97 61.83 1umn h PHE 129 Cb -0.08 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 37.75 1umn h PHE 129 CO -0.04 0.44 -0.13 0.37 -0.18 0.00 0.00 178.31 178.77 1umn h GLN 130 N 0.33 1.03 -0.54 1.51 5.75 -0.89 0.16 115.11 122.46 1umn h GLN 130 Ca 0.07 -0.39 -0.03 0.00 -0.15 0.00 0.00 58.65 58.15 1umn h GLN 130 Cb 0.37 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1umn h GLN 130 CO 0.02 1.08 0.22 0.87 -2.65 0.00 0.00 178.83 178.37 1umn h LYS 131 N 0.91 0.80 -0.66 1.69 1.57 -0.39 0.56 116.57 121.04 1umn h LYS 131 Ca 0.14 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1umn h LYS 131 Cb 0.70 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1umn h LYS 131 CO 0.05 0.69 0.13 0.78 -0.57 0.00 0.00 179.45 180.53 1umn h GLY 132 N 0.73 1.16 0.83 3.86 0.00 -0.51 -0.38 103.07 108.76 1umn h GLY 132 Ca 0.18 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.78 1umn h GLY 132 CO -0.02 0.70 0.04 -2.75 0.00 0.00 0.00 176.54 174.51 1umn h PHE 133 N 1.02 0.07 -0.05 5.60 3.57 -0.14 -1.50 116.94 125.50 1umn h PHE 133 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1umn h PHE 133 Cb 0.41 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1umn h PHE 133 CO 0.03 0.03 0.02 -0.44 -2.23 0.00 0.00 178.31 175.71 1umn h ASP 134 N 0.11 0.07 -0.22 0.41 3.32 -0.57 -1.98 116.42 117.56 1umn h ASP 134 Ca 0.08 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1umn h ASP 134 Cb 0.06 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1umn h ASP 134 CO -0.09 0.24 0.13 0.58 -1.72 0.00 0.00 179.24 178.37 1umn h VAL 135 N -0.11 1.02 -0.86 -1.35 2.07 -1.02 -0.52 116.25 115.48 1umn h VAL 135 Ca 0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1umn h VAL 135 Cb 0.19 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1umn h VAL 135 CO -0.00 0.05 0.43 0.77 0.02 0.00 0.00 177.57 178.84 1umn h SER 136 N 0.27 1.12 -0.29 0.57 4.64 -1.28 -1.57 113.55 117.01 1umn h SER 136 Ca 0.09 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1umn h SER 136 Cb -0.00 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1umn h SER 136 CO -0.04 0.93 0.16 -0.78 -0.87 0.00 0.00 176.83 176.22 1umn h ASP 137 N 1.23 0.36 0.04 4.97 3.58 -1.06 0.14 116.42 125.68 1umn h ASP 137 Ca 0.30 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1umn h ASP 137 Cb 0.10 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1umn h ASP 137 CO -0.04 0.34 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.29 1umn h GLU 138 N 0.35 0.00 -0.09 0.28 5.08 -0.56 -0.93 114.58 118.70 1umn h GLU 138 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1umn h GLU 138 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1umn h GLU 138 CO -0.02 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.42 1umn n GLU 139 N -4.44 2.03 -1.24 2.33 1.02 -0.64 -4.95 120.64 114.75 1umn n GLU 139 Ca -0.03 -1.51 -0.06 0.00 -0.02 0.00 0.00 57.16 55.53 1umn n GLU 139 Cb 0.12 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.28 0.83 3.40 0.62 0.00 -0.28 -4.76 105.19 106.28 1umn n GLY 140 Ca 0.17 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.92 7.05 0.42 1.61 -1.08 0.34 -4.88 116.67 117.21 1umn s ASP 141 Ca 0.00 -3.02 0.12 0.00 -0.52 0.00 0.00 52.55 49.13 1umn s ASP 141 Cb 0.00 -2.30 0.89 0.00 -1.46 0.00 0.00 42.92 40.05 1umn s ASP 141 CO 0.00 -0.60 1.95 0.77 0.52 0.00 0.00 175.17 177.81 1umn h SER 142 N 7.32 0.09 0.04 -0.34 4.64 -1.94 -1.52 113.55 121.86 1umn h SER 142 Ca 0.21 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1umn h SER 142 Cb 0.92 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1umn h SER 142 CO 1.06 0.28 -0.02 0.58 -0.87 0.00 0.00 176.83 177.86 1umn h VAL 143 N 0.09 1.14 -0.81 0.95 2.07 -1.97 -1.60 116.25 116.12 1umn h VAL 143 Ca 0.02 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1umn h VAL 143 Cb 0.37 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1umn h VAL 143 CO 0.02 0.15 0.47 0.74 0.02 0.00 0.00 177.57 178.97 1umn h THR 144 N -0.32 1.23 -0.25 2.57 2.02 -1.93 -2.28 112.91 113.96 1umn h THR 144 Ca -0.01 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1umn h THR 144 Cb 0.29 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1umn h THR 144 CO 0.01 0.25 0.06 -1.13 0.37 0.00 0.00 175.52 175.08 1umn h ASN 145 N 1.13 0.04 -0.62 4.18 -0.73 -1.13 -2.23 115.58 116.22 1umn h ASN 145 Ca 0.29 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.46 1umn h ASN 145 Cb -0.01 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 1umn h ASN 145 CO -0.05 0.06 0.25 -0.78 -0.37 0.00 0.00 177.43 176.54 1umn h ASP 146 N 0.16 0.88 -0.49 1.15 1.82 -0.91 -1.56 116.42 117.46 1umn h ASP 146 Ca 0.11 -0.12 0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1umn h ASP 146 Cb 0.10 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 1umn h ASP 146 CO -0.14 0.79 0.29 0.40 -1.61 0.00 0.00 179.24 178.97 1umn h ILE 147 N 0.94 1.04 -0.40 2.25 2.04 -0.95 -0.85 117.51 121.58 1umn h ILE 147 Ca 0.22 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 1umn h ILE 147 Cb 0.19 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1umn h ILE 147 CO -0.02 0.10 -0.21 -0.26 0.00 0.00 0.00 178.15 177.77 1umn h PHE 148 N 0.57 0.89 -0.43 1.37 -1.00 -1.10 -2.64 116.94 114.61 1umn h PHE 148 Ca 0.20 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1umn h PHE 148 Cb 0.03 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 1umn h PHE 148 CO -0.07 0.93 0.21 -0.97 -1.61 0.00 0.00 178.31 176.80 1umn h ASN 149 N 0.69 0.55 -0.47 2.17 -0.00 -0.62 0.07 115.58 117.98 1umn h ASN 149 Ca 0.10 -0.12 -0.04 0.00 -0.00 0.00 0.00 56.30 56.24 1umn h ASN 149 Cb 0.72 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.88 1umn h ASN 149 CO 0.06 0.52 0.15 0.58 -0.00 0.00 0.00 177.43 178.73 1umn h VAL 150 N 0.55 1.22 -0.51 2.57 2.07 -1.17 -1.46 116.25 119.53 1umn h VAL 150 Ca 0.15 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1umn h VAL 150 Cb 0.10 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1umn h VAL 150 CO -0.02 0.27 -0.06 0.00 0.02 0.00 0.00 177.57 177.78 1umn h ALA 151 N 1.00 0.94 -0.57 1.67 0.00 -1.26 -2.69 119.26 118.35 1umn h ALA 151 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1umn h ALA 151 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1umn h ALA 151 CO -0.01 0.63 0.09 -0.22 0.00 0.00 0.00 179.25 179.74 1umn h LYS 152 N 0.82 0.94 -0.33 0.00 3.64 -0.77 -1.90 116.57 118.97 1umn h LYS 152 Ca 0.14 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1umn h LYS 152 Cb 0.57 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1umn h LYS 152 CO 0.03 0.91 0.07 0.00 -2.27 0.00 0.00 179.45 178.19 1umn h ALA 153 N 1.00 0.36 -0.20 5.00 0.00 -1.03 -1.19 119.26 123.19 1umn h ALA 153 Ca 0.17 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1umn h ALA 153 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1umn h ALA 153 CO 0.01 -0.33 -0.67 1.03 0.00 0.00 0.00 179.25 179.29 1umn h SER 154 N 0.19 0.90 0.29 0.00 0.87 -1.40 -2.70 113.55 111.70 1umn h SER 154 Ca 0.15 -0.54 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 1umn h SER 154 Cb 0.16 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1umn h SER 154 CO -0.20 1.33 -0.42 -0.29 -0.53 0.00 0.00 176.83 176.72 1umn h ILE 155 N 0.56 1.31 -0.12 2.23 2.10 -1.19 -2.28 117.51 120.13 1umn h ILE 155 Ca -0.02 -1.52 -0.12 0.00 1.08 0.00 0.00 64.86 64.28 1umn h ILE 155 Cb 1.28 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 38.72 1umn h ILE 155 CO 0.14 0.45 -0.46 -0.33 -1.08 0.00 0.00 178.15 176.87 1umn h GLU 156 N 0.14 0.29 -0.51 2.19 5.08 -1.19 -1.94 114.58 118.65 1umn h GLU 156 Ca 0.01 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1umn h GLU 156 Cb 0.80 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1umn h GLU 156 CO 0.06 0.70 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.53 1umn h LYS 157 N 0.24 0.88 -0.53 2.33 3.64 -1.12 -2.17 116.57 119.84 1umn h LYS 157 Ca 0.02 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1umn h LYS 157 Cb 0.90 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1umn h LYS 157 CO 0.07 0.89 -0.03 0.45 -2.27 0.00 0.00 179.45 178.57 1umn h HIS 158 N 0.81 0.99 -0.84 1.91 3.86 -1.01 -2.56 115.15 118.32 1umn h HIS 158 Ca 0.15 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1umn h HIS 158 Cb 0.51 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 1umn h HIS 158 CO 0.03 0.91 0.54 0.82 0.86 0.00 0.00 177.93 181.09 1umn h ILE 159 N 0.84 1.22 -0.17 2.45 2.04 -0.90 0.02 117.51 123.02 1umn h ILE 159 Ca 0.15 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1umn h ILE 159 Cb 0.53 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1umn h ILE 159 CO 0.03 0.22 -0.01 -0.25 0.00 0.00 0.00 178.15 178.13 1umn h TRP 160 N 1.14 -0.03 -0.40 1.37 7.01 -1.12 0.97 115.95 124.89 1umn h TRP 160 Ca 0.31 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 1umn h TRP 160 Cb -0.11 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1umn h TRP 160 CO -0.01 -0.04 0.10 0.52 -2.79 0.00 0.00 178.44 176.22 1umn h MET 161 N 0.04 0.64 0.02 2.65 2.86 -1.04 0.16 114.93 120.26 1umn h MET 161 Ca 0.08 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1umn h MET 161 Cb 0.10 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1umn h MET 161 CO -0.15 0.67 -0.01 -0.07 1.06 0.00 0.00 176.91 178.41 1umn h LEU 162 N 0.51 -0.02 -0.90 1.22 3.38 -0.86 -1.04 115.31 117.60 1umn h LEU 162 Ca 0.13 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1umn h LEU 162 Cb 0.31 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1umn h LEU 162 CO 0.00 0.05 0.57 1.56 0.09 0.00 0.00 178.44 180.71 1umn h GLN 163 N -0.09 1.05 -0.43 1.13 1.08 -0.68 -1.29 115.11 115.87 1umn h GLN 163 Ca -0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1umn h GLN 163 Cb 0.08 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 1umn h GLN 163 CO 0.00 0.69 0.20 0.00 -0.95 0.00 0.00 178.83 178.78 1umn h ALA 164 N 1.39 0.53 -0.32 3.87 0.00 -0.27 0.41 119.26 124.87 1umn h ALA 164 Ca 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1umn h ALA 164 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1umn h ALA 164 CO -0.14 -0.16 0.16 1.49 0.00 0.00 0.00 179.25 180.60 1umn h GLU 165 N 0.41 0.44 -0.03 0.00 4.57 -0.46 -0.18 114.58 119.33 1umn h GLU 165 Ca 0.19 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1umn h GLU 165 Cb 0.11 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1umn h GLU 165 CO -0.14 0.34 0.00 1.28 -1.18 0.00 0.00 179.01 179.31 1umn n LEU 166 N -4.44 0.24 -0.82 1.64 4.77 -0.04 -4.89 117.00 113.46 1umn n LEU 166 Ca 0.02 -0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 1umn n LEU 166 Cb 0.11 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1umn n LEU 166 CO 0.36 0.05 -0.10 0.61 -1.33 0.00 0.00 177.39 176.98 1umn n GLY 167 N 0.75 0.85 3.44 -0.72 0.00 -0.08 -5.02 105.19 104.42 1umn n GLY 167 Ca 0.10 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.20 1.57 0.71 1.61 -0.21 -0.19 -5.00 119.66 114.95 1umn s GLN 168 Ca 0.00 -1.76 -0.11 0.00 0.02 0.00 0.00 55.36 53.51 1umn s GLN 168 Cb 0.00 -1.39 0.02 0.00 1.00 0.00 0.00 33.01 32.64 1umn s GLN 168 CO 0.00 0.16 1.07 0.00 -2.12 0.00 0.00 175.29 174.40 1umn s ALA 169 N -2.81 2.61 0.33 6.09 0.00 -1.26 -3.28 121.76 123.44 1umn s ALA 169 Ca 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1umn s ALA 169 Cb 0.00 -3.15 0.58 0.00 0.00 0.00 0.00 23.12 20.56 1umn s ALA 169 CO 0.12 -1.30 1.99 -1.35 0.00 0.00 0.00 175.76 175.22 1umn h PRO 170 N -0.78 0.91 -6.22 0.00 0.11 -1.88 -3.46 132.00 120.68 1umn h PRO 170 Ca -0.45 -0.05 -0.45 0.00 0.11 0.00 0.00 66.00 65.16 1umn h PRO 170 Cb 1.22 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1umn h PRO 170 CO 0.58 0.60 -0.82 1.63 -0.21 0.00 0.00 178.00 179.78 1umn n LYS 171 N -4.44 -4.79 0.00 1.05 5.02 -1.26 -4.87 118.16 108.87 1umn n LYS 171 Ca 0.08 0.58 0.05 0.00 -2.02 0.00 0.00 58.31 57.00 1umn n LYS 171 Cb 0.06 -5.16 0.32 0.00 -0.02 0.00 0.00 35.03 30.23 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16