#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 1.16 -0.22 -1.18 0.00 -2.00 -0.54 119.26 116.47 1umn h ALA 23 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1umn h ALA 23 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1umn h ALA 23 CO 0.00 0.12 -0.51 -0.44 0.00 0.00 0.00 179.25 178.42 1umn h ASP 24 N 0.81 0.69 -0.53 0.00 3.32 -1.98 -1.49 116.42 117.22 1umn h ASP 24 Ca 0.39 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1umn h ASP 24 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1umn h ASP 24 CO -0.23 1.08 0.14 0.28 -1.72 0.00 0.00 179.24 178.79 1umn h SER 25 N 0.49 0.80 -0.76 6.45 0.02 -1.67 -0.40 113.55 118.48 1umn h SER 25 Ca 0.02 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 1umn h SER 25 Cb 1.06 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1umn h SER 25 CO 0.10 0.81 0.28 0.11 -1.14 0.00 0.00 176.83 176.99 1umn h LYS 26 N 0.74 1.16 -0.52 3.45 1.57 -1.06 -1.34 116.57 120.57 1umn h LYS 26 Ca 0.17 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1umn h LYS 26 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1umn h LYS 26 CO -0.00 0.96 0.16 0.00 -0.57 0.00 0.00 179.45 180.00 1umn h ALA 27 N 1.14 0.68 -0.14 3.86 0.00 -0.83 -0.86 119.26 123.12 1umn h ALA 27 Ca 0.25 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1umn h ALA 27 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1umn h ALA 27 CO -0.02 0.34 -0.57 -0.24 0.00 0.00 0.00 179.25 178.76 1umn h VAL 28 N 0.71 1.34 -0.24 0.00 3.04 -0.92 -0.76 116.25 119.42 1umn h VAL 28 Ca 0.17 -1.86 -0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1umn h VAL 28 Cb 0.28 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1umn h VAL 28 CO -0.00 0.57 0.15 -0.07 -1.01 0.00 0.00 177.57 177.20 1umn h LEU 29 N 0.34 0.29 -1.14 3.16 3.38 -1.04 -0.25 115.31 120.04 1umn h LEU 29 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1umn h LEU 29 Cb 1.10 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1umn h LEU 29 CO 0.10 0.24 -0.06 -1.13 0.09 0.00 0.00 178.44 177.68 1umn h ASN 30 N 0.31 0.50 -0.80 -0.43 -0.73 -0.98 -0.33 115.58 113.12 1umn h ASN 30 Ca 0.09 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1umn h ASN 30 Cb -0.00 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.42 1umn h ASN 30 CO -0.02 0.61 0.40 -0.61 -0.37 0.00 0.00 177.43 177.44 1umn h GLN 31 N 0.50 1.15 -0.59 6.67 5.75 -0.61 -2.02 115.11 125.96 1umn h GLN 31 Ca 0.10 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.36 1umn h GLN 31 Cb 0.41 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1umn h GLN 31 CO 0.02 0.88 0.05 0.00 -2.65 0.00 0.00 178.83 177.13 1umn h ALA 32 N 1.29 0.96 -0.58 3.38 0.00 0.21 -0.33 119.26 124.19 1umn h ALA 32 Ca 0.28 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1umn h ALA 32 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1umn h ALA 32 CO -0.04 0.64 0.33 0.28 0.00 0.00 0.00 179.25 180.46 1umn h VAL 33 N 0.92 1.01 -0.07 0.00 2.07 -0.43 0.29 116.25 120.05 1umn h VAL 33 Ca 0.18 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1umn h VAL 33 Cb 0.47 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1umn h VAL 33 CO 0.02 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1umn h ALA 34 N 1.28 0.10 -0.51 1.67 0.00 -1.01 -2.01 119.26 118.78 1umn h ALA 34 Ca 0.25 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1umn h ALA 34 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1umn h ALA 34 CO -0.13 -0.21 -0.06 -0.44 0.00 0.00 0.00 179.25 178.41 1umn h ASP 35 N -0.18 0.89 -0.42 0.00 3.32 -0.81 -1.93 116.42 117.29 1umn h ASP 35 Ca 0.02 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1umn h ASP 35 Cb 0.38 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1umn h ASP 35 CO 0.01 0.99 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.34 1umn h LEU 36 N 0.82 0.87 -0.74 1.55 3.38 -0.46 0.24 115.31 120.97 1umn h LEU 36 Ca 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1umn h LEU 36 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1umn h LEU 36 CO 0.04 0.99 0.37 0.28 0.09 0.00 0.00 178.44 180.21 1umn h SER 37 N 0.79 0.95 0.15 -0.43 0.02 -1.02 0.73 113.55 114.74 1umn h SER 37 Ca 0.13 -0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1umn h SER 37 Cb 0.62 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.92 1umn h SER 37 CO 0.04 0.80 -0.87 0.58 -1.14 0.00 0.00 176.83 176.24 1umn h VAL 38 N 1.03 1.35 -0.96 2.27 2.07 -1.13 -2.78 116.25 118.09 1umn h VAL 38 Ca 0.26 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.54 1umn h VAL 38 Cb 0.09 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1umn h VAL 38 CO -0.04 0.68 0.59 0.00 0.02 0.00 0.00 177.57 178.82 1umn h ALA 39 N 0.69 1.23 -0.82 1.67 0.00 -0.19 -0.57 119.26 121.27 1umn h ALA 39 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1umn h ALA 39 Cb 1.49 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1umn h ALA 39 CO 0.16 0.67 0.52 1.25 0.00 0.00 0.00 179.25 181.85 1umn h HIS 40 N 1.32 1.05 -0.44 0.00 6.17 -0.78 -0.52 115.15 121.96 1umn h HIS 40 Ca 0.35 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.38 1umn h HIS 40 Cb -0.07 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 29.49 1umn h HIS 40 CO 0.00 0.68 0.04 1.03 0.71 0.00 0.00 177.93 180.40 1umn h SER 41 N 1.12 0.72 -0.38 3.26 0.87 -1.04 -1.24 113.55 116.85 1umn h SER 41 Ca 0.30 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1umn h SER 41 Cb -0.09 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1umn h SER 41 CO -0.06 0.82 0.17 0.40 -0.53 0.00 0.00 176.83 177.63 1umn h ILE 42 N 0.59 1.18 -0.74 2.23 2.04 -0.79 -0.14 117.51 121.89 1umn h ILE 42 Ca 0.13 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1umn h ILE 42 Cb 0.43 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1umn h ILE 42 CO 0.01 0.20 0.49 -0.07 0.00 0.00 0.00 178.15 178.79 1umn h LEU 43 N 0.47 0.85 -0.68 1.44 3.38 -0.98 0.09 115.31 119.89 1umn h LEU 43 Ca 0.13 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1umn h LEU 43 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1umn h LEU 43 CO -0.01 0.61 -0.35 -0.74 0.09 0.00 0.00 178.44 178.04 1umn h HIS 44 N 1.00 0.74 -0.31 1.13 2.76 -0.81 -0.80 115.15 118.87 1umn h HIS 44 Ca 0.27 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1umn h HIS 44 Cb -0.11 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 1umn h HIS 44 CO -0.00 0.90 0.08 0.37 -1.30 0.00 0.00 177.93 177.98 1umn h GLN 45 N 0.53 0.49 -0.74 5.26 4.15 0.24 -1.05 115.11 123.98 1umn h GLN 45 Ca 0.05 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1umn h GLN 45 Cb 0.86 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 1umn h GLN 45 CO 0.07 0.55 0.48 0.28 -1.93 0.00 0.00 178.83 178.28 1umn h VAL 46 N 0.34 1.14 -0.56 2.39 2.07 -0.84 -1.00 116.25 119.79 1umn h VAL 46 Ca 0.10 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1umn h VAL 46 Cb 0.28 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1umn h VAL 46 CO -0.00 0.17 0.34 -0.74 0.02 0.00 0.00 177.57 177.36 1umn h HIS 47 N 0.94 0.64 -0.01 1.57 -0.00 -0.85 -2.50 115.15 114.94 1umn h HIS 47 Ca 0.29 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.44 1umn h HIS 47 Cb -0.03 -0.21 0.02 0.00 -0.00 0.00 0.00 27.41 27.19 1umn h HIS 47 CO -0.03 0.37 -0.92 -1.49 -0.00 0.00 0.00 177.93 175.86 1umn h TRP 48 N 0.67 0.94 -0.01 5.26 6.55 -0.75 -3.35 115.95 125.26 1umn h TRP 48 Ca 0.22 -0.51 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1umn h TRP 48 Cb 0.01 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.20 1umn h TRP 48 CO -0.06 1.34 -0.14 0.66 -1.05 0.00 0.00 178.44 179.19 1umn n TYR 49 N -3.95 0.00 -1.71 0.49 4.02 -0.42 -4.96 117.16 110.63 1umn n TYR 49 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.35 1umn n TYR 49 Cb 0.82 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 40.07 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 -0.00 2.45 -3.72 -0.72 1.56 -0.94 -4.44 117.12 111.30 1umn n MET 50 Ca 0.15 0.88 -0.12 0.00 -0.27 0.00 0.00 57.70 58.34 1umn n MET 50 Cb 0.39 -2.64 -0.11 0.00 2.15 0.00 0.00 33.22 33.01 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 0.17 0.37 0.00 2.12 0.52 -1.26 -5.03 118.95 115.84 1umn s ARG 51 Ca 0.70 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 1umn s ARG 51 Cb -0.57 0.05 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1umn s ARG 51 CO 0.43 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1umn n GLY 52 N 3.69 3.30 3.72 -3.53 0.00 -1.26 -3.82 105.19 107.29 1umn n GLY 52 Ca -0.19 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.24 4.13 0.00 1.61 1.81 -1.26 -1.50 118.95 121.50 1umn s ARG 53 Ca 0.00 2.58 0.00 0.00 -1.72 0.00 0.00 55.73 56.59 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 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.30 1umn n GLY 54 N 3.87 1.17 0.27 -3.53 0.00 -1.26 -4.89 105.19 100.81 1umn n GLY 54 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.48 -0.26 1.61 3.57 -1.64 -1.35 116.94 118.39 1umn h PHE 55 Ca 0.00 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1umn h PHE 55 Cb 0.00 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1umn h PHE 55 CO 0.00 -0.30 0.18 1.98 -2.23 0.00 0.00 178.31 177.94 1umn h MET 56 N -0.05 0.08 0.10 1.11 4.05 -1.94 0.11 114.93 118.38 1umn h MET 56 Ca 0.28 -0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.35 1umn h MET 56 Cb 0.48 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1umn h MET 56 CO -0.64 0.05 -1.89 1.51 0.23 0.00 0.00 176.91 176.17 1umn n ILE 57 N -4.48 1.74 0.14 1.77 0.13 -0.85 -4.41 119.36 113.40 1umn n ILE 57 Ca 0.03 -0.56 0.02 0.00 -1.10 0.00 0.00 62.75 61.14 1umn n ILE 57 Cb 0.28 -1.78 0.05 0.00 -0.84 0.00 0.00 39.64 37.35 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 -0.10 0.00 0.77 9.51 4.06 -1.07 -3.01 115.95 126.11 1umn h TRP 58 Ca -0.42 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.50 1umn h TRP 58 Cb 1.92 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.09 1umn h TRP 58 CO 0.08 0.55 -0.37 1.25 -3.56 0.00 0.00 178.44 176.39 1umn h HIS 59 N 0.00 -0.96 0.00 0.49 2.76 -1.00 -1.43 115.15 115.01 1umn h HIS 59 Ca -0.01 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1umn h HIS 59 Cb 1.37 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 30.64 1umn h HIS 59 CO 0.00 -0.59 -0.14 -1.00 -1.30 0.00 0.00 177.93 174.90 1umn h PRO 60 N -1.08 0.00 -0.59 5.26 0.13 -1.77 -2.30 132.00 131.65 1umn h PRO 60 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1umn h PRO 60 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1umn h PRO 60 CO 0.17 0.14 0.18 -0.22 -0.23 0.00 0.00 178.00 178.04 1umn h LYS 61 N 0.00 0.90 -0.30 0.86 1.63 -1.30 -0.76 116.57 117.59 1umn h LYS 61 Ca -0.00 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1umn h LYS 61 Cb 0.33 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1umn h LYS 61 CO 0.02 0.77 0.17 0.52 -3.45 0.00 0.00 179.45 177.48 1umn h MET 62 N 0.87 0.39 -0.55 1.90 2.86 -0.67 -0.87 114.93 118.85 1umn h MET 62 Ca 0.20 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1umn h MET 62 Cb 0.26 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1umn h MET 62 CO -0.01 0.28 -0.00 0.22 1.06 0.00 0.00 176.91 178.46 1umn h ASP 63 N 0.40 0.93 -0.46 1.22 3.58 -1.13 0.05 116.42 121.01 1umn h ASP 63 Ca 0.11 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 1umn h ASP 63 Cb -0.00 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1umn h ASP 63 CO -0.02 0.99 0.04 -0.33 -2.88 0.00 0.00 179.24 177.04 1umn h GLU 64 N 0.88 0.79 -0.85 0.28 5.08 -0.79 -1.93 114.58 118.04 1umn h GLU 64 Ca 0.16 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1umn h GLU 64 Cb 0.52 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1umn h GLU 64 CO 0.03 0.82 0.44 1.88 -1.00 0.00 0.00 179.01 181.17 1umn h TYR 65 N 0.64 1.19 -0.83 4.33 0.99 -0.87 -1.31 116.97 121.12 1umn h TYR 65 Ca 0.14 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 1umn h TYR 65 Cb 0.44 -0.38 -0.04 0.00 1.00 0.00 0.00 36.73 37.76 1umn h TYR 65 CO 0.03 0.85 0.36 0.52 -0.00 0.00 0.00 178.16 179.92 1umn h MET 66 N 1.19 1.21 -0.26 4.88 2.86 -0.78 -0.02 114.93 124.02 1umn h MET 66 Ca 0.29 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1umn h MET 66 Cb 0.07 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1umn h MET 66 CO -0.04 0.95 0.12 1.49 1.06 0.00 0.00 176.91 180.49 1umn h GLU 67 N 1.19 0.37 -0.72 1.72 4.81 -0.90 0.13 114.58 121.19 1umn h GLU 67 Ca 0.28 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1umn h GLU 67 Cb 0.17 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1umn h GLU 67 CO -0.03 0.38 0.46 1.49 -0.73 0.00 0.00 179.01 180.57 1umn h GLU 68 N 0.28 0.96 -0.47 1.92 4.81 -0.88 -0.90 114.58 120.30 1umn h GLU 68 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1umn h GLU 68 Cb 0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1umn h GLU 68 CO -0.01 0.66 0.24 0.82 -0.73 0.00 0.00 179.01 179.99 1umn h ILE 69 N 0.98 1.18 -0.78 2.32 1.08 -0.70 -1.61 117.51 119.97 1umn h ILE 69 Ca 0.26 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.32 1umn h ILE 69 Cb -0.07 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 1umn h ILE 69 CO -0.05 0.19 0.51 0.44 -0.69 0.00 0.00 178.15 178.55 1umn h ASP 70 N 0.61 0.74 -0.52 1.72 3.45 -0.19 -1.26 116.42 120.98 1umn h ASP 70 Ca 0.16 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1umn h ASP 70 Cb 0.09 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1umn h ASP 70 CO -0.02 0.48 0.23 1.23 -1.57 0.00 0.00 179.24 179.58 1umn h GLY 71 N 0.84 0.82 1.37 2.75 0.00 -0.25 -0.79 103.07 107.81 1umn h GLY 71 Ca 0.34 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1umn h GLY 71 CO -0.12 0.41 0.14 -0.97 0.00 0.00 0.00 176.54 176.00 1umn h TYR 72 N 0.69 0.82 -0.63 5.60 0.05 -0.63 -1.21 116.97 121.66 1umn h TYR 72 Ca 0.18 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1umn h TYR 72 Cb 0.16 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1umn h TYR 72 CO 0.00 0.68 0.26 1.25 -1.05 0.00 0.00 178.16 179.30 1umn h LEU 73 N 0.77 0.87 0.14 3.88 5.85 -0.77 -0.40 115.31 125.66 1umn h LEU 73 Ca 0.17 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1umn h LEU 73 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1umn h LEU 73 CO -0.00 0.79 -0.10 0.44 -0.34 0.00 0.00 178.44 179.23 1umn h ASP 74 N 0.88 -0.26 -0.33 1.25 3.32 -0.29 -0.17 116.42 120.81 1umn h ASP 74 Ca 0.21 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1umn h ASP 74 Cb 0.19 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1umn h ASP 74 CO -0.02 -0.16 0.22 -0.33 -1.72 0.00 0.00 179.24 177.22 1umn h GLU 75 N -0.25 0.43 -0.05 3.56 5.08 -1.02 -1.03 114.58 121.31 1umn h GLU 75 Ca -0.01 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 1umn h GLU 75 Cb 0.22 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.39 1umn h GLU 75 CO -0.00 0.29 -0.95 0.52 -1.00 0.00 0.00 179.01 177.86 1umn h MET 76 N 0.44 0.70 -0.36 2.33 2.86 -1.03 -1.64 114.93 118.24 1umn h MET 76 Ca 0.12 -0.69 -0.10 0.00 -2.06 0.00 0.00 59.70 56.97 1umn h MET 76 Cb -0.04 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1umn h MET 76 CO -0.03 1.28 -0.18 0.66 1.06 0.00 0.00 176.91 179.70 1umn h SER 77 N 0.42 0.78 -0.76 1.22 4.64 -1.04 -1.46 113.55 117.35 1umn h SER 77 Ca -0.10 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 1umn h SER 77 Cb 1.60 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 1umn h SER 77 CO 0.19 1.02 0.30 -0.33 -0.87 0.00 0.00 176.83 177.14 1umn h GLU 78 N 0.54 1.14 -0.53 4.77 5.08 -1.22 -1.64 114.58 122.73 1umn h GLU 78 Ca 0.08 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1umn h GLU 78 Cb 0.73 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1umn h GLU 78 CO 0.05 0.93 0.02 -0.09 -1.00 0.00 0.00 179.01 178.92 1umn h ARG 79 N 1.10 0.89 -0.34 2.33 9.65 -1.14 -0.30 114.38 126.57 1umn h ARG 79 Ca 0.25 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1umn h ARG 79 Cb 0.22 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1umn h ARG 79 CO -0.02 0.87 0.13 1.25 2.80 0.00 0.00 179.97 185.00 1umn h LEU 80 N 0.83 0.48 -0.48 3.80 5.85 -0.96 -0.89 115.31 123.93 1umn h LEU 80 Ca 0.16 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1umn h LEU 80 Cb 0.47 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1umn h LEU 80 CO 0.02 0.53 0.26 0.40 -0.34 0.00 0.00 178.44 179.31 1umn h ILE 81 N 0.40 1.17 0.00 4.05 2.04 -1.07 0.21 117.51 124.31 1umn h ILE 81 Ca 0.11 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1umn h ILE 81 Cb 0.20 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1umn h ILE 81 CO -0.01 0.18 -0.02 0.74 0.00 0.00 0.00 178.15 179.04 1umn h THR 82 N 0.63 1.01 -0.05 -0.27 2.02 -0.72 0.34 112.91 115.89 1umn h THR 82 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1umn h THR 82 Cb 0.05 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1umn h THR 82 CO -0.03 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1umn n LEU 83 N -4.51 0.73 0.00 2.58 4.77 -0.37 -4.88 117.00 115.33 1umn n LEU 83 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1umn n LEU 83 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1umn n LEU 83 CO 0.34 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1umn n GLY 84 N 1.00 0.69 3.27 -0.72 0.00 0.11 -5.07 105.19 104.47 1umn n GLY 84 Ca 0.18 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.56 -0.15 2.66 -0.02 0.00 0.68 -4.99 105.19 100.80 1umn n GLY 85 Ca 0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.45 1.10 0.41 4.61 0.00 -1.26 -4.39 121.76 118.77 1umn s ALA 86 Ca 0.59 -1.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1umn s ALA 86 Cb -0.03 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 1umn s ALA 86 CO 0.40 -1.56 1.40 -1.25 0.00 0.00 0.00 175.76 174.74 1umn s PRO 87 N 1.84 3.92 0.40 0.00 0.04 -1.26 -4.95 135.00 134.99 1umn s PRO 87 Ca 0.08 2.37 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 1umn s PRO 87 Cb -0.17 -2.79 -0.11 0.00 0.04 0.00 0.00 34.50 31.47 1umn s PRO 87 CO -0.26 -0.61 1.25 1.19 0.04 0.00 0.00 177.00 178.61 1umn n PHE 88 N 0.13 2.08 -2.53 0.56 0.99 -1.26 -4.89 117.46 112.54 1umn n PHE 88 Ca 0.03 0.52 -0.02 0.00 -0.00 0.00 0.00 57.45 57.99 1umn n PHE 88 Cb 0.42 -2.37 0.05 0.00 -1.00 0.00 0.00 39.48 36.57 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 0.41 -0.25 -3.87 4.37 3.41 -1.26 -4.95 113.62 111.48 1umn n SER 89 Ca 0.06 -2.09 -0.11 0.00 -0.26 0.00 0.00 58.87 56.47 1umn n SER 89 Cb 0.38 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.88 0.08 0.30 6.66 -4.23 -1.26 -5.05 115.64 111.25 1umn s THR 90 Ca 0.15 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1umn s THR 90 Cb 0.31 -0.42 0.27 0.00 1.34 0.00 0.00 72.50 73.99 1umn s THR 90 CO -0.08 -0.36 1.96 -0.07 -0.54 0.00 0.00 174.62 175.52 1umn h LEU 91 N 4.35 0.94 -0.27 4.79 3.38 -1.99 -1.76 115.31 124.75 1umn h LEU 91 Ca -0.31 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1umn h LEU 91 Cb 1.19 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1umn h LEU 91 CO 0.41 0.66 0.04 0.50 0.09 0.00 0.00 178.44 180.14 1umn h LYS 92 N 1.10 0.14 -0.67 1.13 3.64 -1.99 0.87 116.57 120.80 1umn h LYS 92 Ca 0.32 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1umn h LYS 92 Cb -0.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1umn h LYS 92 CO -0.08 0.09 0.28 0.93 -2.27 0.00 0.00 179.45 178.40 1umn h GLU 93 N 0.14 0.98 0.10 1.90 5.08 -1.83 -0.57 114.58 120.39 1umn h GLU 93 Ca 0.13 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1umn h GLU 93 Cb 0.14 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1umn h GLU 93 CO -0.18 0.81 -0.06 0.74 -1.00 0.00 0.00 179.01 179.32 1umn h PHE 94 N 0.93 -0.16 -0.38 4.33 0.05 -0.74 -1.34 116.94 119.64 1umn h PHE 94 Ca 0.22 -0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.00 1umn h PHE 94 Cb 0.18 0.06 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 1umn h PHE 94 CO 0.01 -0.10 0.19 0.77 -0.18 0.00 0.00 178.31 179.00 1umn h SER 95 N -0.16 0.48 0.56 2.17 0.02 -0.68 -1.53 113.55 114.42 1umn h SER 95 Ca -0.01 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1umn h SER 95 Cb 0.13 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1umn h SER 95 CO 0.01 0.46 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.34 1umn h GLU 96 N 0.48 0.00 0.00 3.45 5.08 -1.05 -3.29 114.58 119.25 1umn h GLU 96 Ca 0.13 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1umn h GLU 96 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1umn h GLU 96 CO -0.02 0.49 -1.59 0.09 -1.00 0.00 0.00 179.01 176.98 1umn n ASN 97 N -3.86 0.68 -4.77 1.42 3.02 -0.51 -4.94 115.26 106.31 1umn n ASN 97 Ca -0.01 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.45 1umn n ASN 97 Cb 0.52 0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 40.08 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 -5.65 6.56 0.00 6.41 0.15 -0.58 -4.90 113.70 115.69 1umn s SER 98 Ca -0.04 2.43 0.27 0.00 0.70 0.00 0.00 55.95 59.31 1umn s SER 98 Cb 0.09 -2.62 0.80 0.00 -1.71 0.00 0.00 66.02 62.57 1umn s SER 98 CO 0.82 -0.66 1.60 0.00 1.20 0.00 0.00 173.24 176.21 1umn n GLN 99 N 0.24 1.85 -3.08 5.44 6.02 -1.26 -4.88 117.38 121.71 1umn n GLN 99 Ca 0.03 -1.24 -0.38 0.00 -0.01 0.00 0.00 57.00 55.40 1umn n GLN 99 Cb 0.45 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.01 4.49 -0.09 1.08 1.43 -1.26 -5.07 118.68 117.25 1umn s LEU 100 Ca 0.35 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1umn s LEU 100 Cb 0.21 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1umn s LEU 100 CO 0.33 0.16 -0.12 -1.59 0.23 0.00 0.00 176.35 175.36 1umn s LYS 101 N -1.45 2.99 0.10 1.70 0.00 -1.26 -5.08 119.74 116.74 1umn s LYS 101 Ca 0.37 -0.65 0.03 0.00 0.00 0.00 0.00 55.97 55.72 1umn s LYS 101 Cb -0.20 -2.55 -0.04 0.00 0.00 0.00 0.00 37.83 35.04 1umn s LYS 101 CO 0.23 0.44 0.12 -1.21 0.00 0.00 0.00 175.35 174.92 1umn s GLU 102 N -0.22 2.99 0.21 1.78 2.02 -1.26 -5.11 118.70 119.10 1umn s GLU 102 Ca 0.01 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.36 1umn s GLU 102 Cb -0.13 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1umn s GLU 102 CO 0.03 0.55 -0.06 0.14 0.02 0.00 0.00 175.26 175.94 1umn s VAL 103 N -1.50 1.27 0.51 2.63 -7.23 -1.26 -5.12 120.40 109.69 1umn s VAL 103 Ca 0.31 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 1umn s VAL 103 Cb -0.12 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 1umn s VAL 103 CO 0.23 -0.49 1.39 0.18 -0.31 0.00 0.00 175.10 176.11 1umn n LEU 104 N -0.37 5.43 -4.76 1.32 4.77 -1.26 -4.93 117.00 117.19 1umn n LEU 104 Ca -0.07 1.03 -0.39 0.00 -0.03 0.00 0.00 56.01 56.54 1umn n LEU 104 Cb 0.62 -1.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1umn n LEU 104 CO 0.35 -0.41 1.05 -0.83 -1.33 0.00 0.00 177.39 176.22 1umn s GLY 105 N -0.75 2.91 -0.21 -0.72 0.00 -1.26 -5.01 107.32 102.28 1umn s GLY 105 Ca 0.68 1.44 -0.05 0.00 0.00 0.00 0.00 44.72 46.79 1umn s GLY 105 CO 0.52 2.02 0.38 -0.35 0.00 0.00 0.00 173.10 175.68 1umn s ASP 106 N -0.63 0.04 0.32 1.64 2.15 -1.26 -5.02 116.67 113.91 1umn s ASP 106 Ca 0.64 0.60 0.25 0.00 0.43 0.00 0.00 52.55 54.48 1umn s ASP 106 Cb -0.43 1.17 1.12 0.00 -0.30 0.00 0.00 42.92 44.49 1umn s ASP 106 CO 0.54 -0.26 1.76 1.88 -0.17 0.00 0.00 175.17 178.92 1umn h TYR 107 N 8.19 0.00 0.00 -5.34 -1.99 -1.95 -3.00 116.97 112.87 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 0.22 0.00 0.00 -1.71 -0.00 0.00 0.00 178.16 176.67 1umn n ASN 108 N -2.38 0.15 -4.75 3.88 5.15 -1.26 -4.65 115.26 111.40 1umn n ASN 108 Ca 0.01 0.53 -0.41 0.00 -0.60 0.00 0.00 54.58 54.11 1umn n ASN 108 Cb 0.19 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.85 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1umn s VAL 109 N -3.05 3.23 0.74 3.44 1.01 -1.14 -5.00 120.40 119.63 1umn s VAL 109 Ca 0.09 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 1umn s VAL 109 Cb 0.12 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.83 1umn s VAL 109 CO 0.38 0.21 1.09 0.42 0.00 0.00 0.00 175.10 177.20 1umn s THR 110 N -0.46 3.44 0.10 3.92 -4.23 -1.26 -4.57 115.64 112.59 1umn s THR 110 Ca 0.52 0.47 -0.22 0.00 -1.18 0.00 0.00 61.69 61.28 1umn s THR 110 Cb -0.35 -3.31 -0.10 0.00 1.34 0.00 0.00 72.50 70.07 1umn s THR 110 CO 0.42 -0.61 1.73 0.40 -0.54 0.00 0.00 174.62 176.01 1umn h ILE 111 N -0.85 0.93 -0.49 2.99 1.08 -1.91 -0.43 117.51 118.83 1umn h ILE 111 Ca -0.46 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1umn h ILE 111 Cb 1.25 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1umn h ILE 111 CO 0.61 0.00 0.32 -0.33 -0.69 0.00 0.00 178.15 178.06 1umn h GLU 112 N 0.00 0.58 -0.10 2.37 5.08 -1.93 -0.51 114.58 120.08 1umn h GLU 112 Ca 0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1umn h GLU 112 Cb 0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1umn h GLU 112 CO -0.07 0.38 -0.74 1.49 -1.00 0.00 0.00 179.01 179.07 1umn h GLU 113 N 0.60 0.51 -0.61 2.33 4.81 -1.78 -1.47 114.58 118.97 1umn h GLU 113 Ca 0.19 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1umn h GLU 113 Cb 0.03 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1umn h GLU 113 CO -0.05 1.04 0.30 1.96 -0.73 0.00 0.00 179.01 181.54 1umn h GLN 114 N 0.35 0.86 -0.47 1.92 1.08 -0.12 -0.59 115.11 118.14 1umn h GLN 114 Ca -0.04 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 1umn h GLN 114 Cb 1.33 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1umn h GLN 114 CO 0.13 0.69 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.56 1umn h LEU 115 N 0.83 0.81 -1.20 1.46 3.38 -1.07 -1.92 115.31 117.60 1umn h LEU 115 Ca 0.21 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1umn h LEU 115 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1umn h LEU 115 CO -0.03 0.92 -0.20 0.00 0.09 0.00 0.00 178.44 179.22 1umn h ALA 116 N 1.16 1.33 -0.32 1.53 0.00 -0.81 -0.76 119.26 121.38 1umn h ALA 116 Ca 0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1umn h ALA 116 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1umn h ALA 116 CO 0.03 0.45 -0.33 0.00 0.00 0.00 0.00 179.25 179.41 1umn h ARG 117 N 0.28 0.69 -0.37 0.00 3.08 -0.60 -0.68 114.38 116.78 1umn h ARG 117 Ca 0.05 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1umn h ARG 117 Cb 0.52 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1umn h ARG 117 CO 0.03 0.92 0.06 0.28 -1.07 0.00 0.00 179.97 180.20 1umn h VAL 118 N 0.58 1.24 -0.66 2.04 2.07 -0.79 -1.14 116.25 119.60 1umn h VAL 118 Ca 0.06 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.78 1umn h VAL 118 Cb 0.84 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1umn h VAL 118 CO 0.07 0.29 0.37 0.58 0.02 0.00 0.00 177.57 178.90 1umn h VAL 119 N 0.46 0.98 -0.38 2.57 2.07 -0.91 0.78 116.25 121.82 1umn h VAL 119 Ca 0.11 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1umn h VAL 119 Cb 0.36 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1umn h VAL 119 CO 0.01 0.12 0.22 -0.08 0.02 0.00 0.00 177.57 177.87 1umn h GLU 120 N 0.68 0.44 -0.63 1.57 4.81 -0.72 0.19 114.58 120.92 1umn h GLU 120 Ca 0.29 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1umn h GLU 120 Cb 0.17 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1umn h GLU 120 CO -0.17 0.29 0.33 0.28 -0.73 0.00 0.00 179.01 179.01 1umn h VAL 121 N 0.45 1.21 -0.67 0.32 2.07 -0.47 -1.96 116.25 117.21 1umn h VAL 121 Ca 0.15 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1umn h VAL 121 Cb 0.01 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1umn h VAL 121 CO -0.07 0.24 0.09 -0.26 0.02 0.00 0.00 177.57 177.58 1umn h PHE 122 N 0.87 1.19 -0.68 1.57 -1.00 -0.39 0.37 116.94 118.87 1umn h PHE 122 Ca 0.22 -0.17 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 1umn h PHE 122 Cb 0.08 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.28 1umn h PHE 122 CO -0.00 1.00 0.30 0.00 -1.61 0.00 0.00 178.31 178.00 1umn h ARG 123 N 1.04 0.98 0.02 1.51 3.08 -0.36 0.14 114.38 120.78 1umn h ARG 123 Ca 0.20 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1umn h ARG 123 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1umn h ARG 123 CO 0.02 0.78 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.77 1umn h TYR 124 N 0.97 -0.02 -0.84 3.04 3.20 -0.74 -1.46 116.97 121.11 1umn h TYR 124 Ca 0.23 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1umn h TYR 124 Cb 0.14 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1umn h TYR 124 CO 0.01 0.21 0.53 -0.07 -1.64 0.00 0.00 178.16 177.21 1umn h LEU 125 N -0.26 0.85 -0.81 2.82 3.38 -0.45 0.83 115.31 121.68 1umn h LEU 125 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1umn h LEU 125 Cb 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1umn h LEU 125 CO 0.00 0.56 0.33 0.00 0.09 0.00 0.00 178.44 179.43 1umn h ALA 126 N 1.38 1.05 -0.65 1.53 0.00 -0.60 0.31 119.26 122.28 1umn h ALA 126 Ca 0.36 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1umn h ALA 126 Cb 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1umn h ALA 126 CO -0.15 0.67 0.09 0.00 0.00 0.00 0.00 179.25 179.86 1umn h ALA 127 N 1.18 0.86 -0.21 0.00 0.00 -0.41 -1.32 119.26 119.36 1umn h ALA 127 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1umn h ALA 127 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1umn h ALA 127 CO -0.02 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.22 1umn h LEU 128 N 0.99 0.26 -1.47 0.00 6.46 -0.43 -1.91 115.31 119.21 1umn h LEU 128 Ca 0.19 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1umn h LEU 128 Cb 0.45 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1umn h LEU 128 CO 0.01 0.28 -0.07 -0.26 -0.62 0.00 0.00 178.44 177.79 1umn h PHE 129 N 0.22 0.27 -0.41 1.25 0.05 -0.73 0.16 116.94 117.75 1umn h PHE 129 Ca 0.07 -0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.76 1umn h PHE 129 Cb 0.09 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 1umn h PHE 129 CO -0.03 0.34 -0.05 0.37 -0.18 0.00 0.00 178.31 178.75 1umn h GLN 130 N 0.25 0.76 -0.78 1.51 5.75 -0.89 0.99 115.11 122.70 1umn h GLN 130 Ca 0.06 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1umn h GLN 130 Cb 0.29 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1umn h GLN 130 CO 0.01 0.87 0.40 0.87 -2.65 0.00 0.00 178.83 178.33 1umn h LYS 131 N 0.58 1.10 -0.68 1.69 1.57 -0.53 0.06 116.57 120.36 1umn h LYS 131 Ca 0.11 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1umn h LYS 131 Cb 0.56 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1umn h LYS 131 CO 0.03 0.84 0.17 0.78 -0.57 0.00 0.00 179.45 180.70 1umn h GLY 132 N 1.09 1.17 0.87 3.86 0.00 -0.73 -0.56 103.07 108.76 1umn h GLY 132 Ca 0.27 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.88 1umn h GLY 132 CO -0.04 0.68 -0.03 -2.75 0.00 0.00 0.00 176.54 174.41 1umn h PHE 133 N 1.02 -0.06 0.04 5.60 3.57 -0.14 -1.17 116.94 125.79 1umn h PHE 133 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1umn h PHE 133 Cb 0.37 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1umn h PHE 133 CO 0.03 -0.04 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.61 1umn h ASP 134 N -0.02 -0.04 -0.32 0.41 3.32 -0.74 -1.03 116.42 117.99 1umn h ASP 134 Ca 0.03 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1umn h ASP 134 Cb 0.07 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1umn h ASP 134 CO -0.06 0.06 0.11 0.58 -1.72 0.00 0.00 179.24 178.20 1umn h VAL 135 N -0.14 0.90 -0.27 -1.35 2.07 -1.04 0.08 116.25 116.50 1umn h VAL 135 Ca -0.01 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1umn h VAL 135 Cb 0.13 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1umn h VAL 135 CO 0.01 0.04 -0.15 0.77 0.02 0.00 0.00 177.57 178.26 1umn h SER 136 N 0.24 0.45 -0.56 0.57 4.64 -1.17 -2.09 113.55 115.63 1umn h SER 136 Ca 0.15 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1umn h SER 136 Cb 0.12 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1umn h SER 136 CO -0.16 0.63 -0.04 -0.78 -0.87 0.00 0.00 176.83 175.62 1umn h ASP 137 N 0.43 1.01 -0.52 4.97 3.58 -0.43 0.14 116.42 125.59 1umn h ASP 137 Ca 0.08 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 1umn h ASP 137 Cb 0.52 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1umn h ASP 137 CO 0.03 1.09 0.10 -0.33 -2.88 0.00 0.00 179.24 177.26 1umn h GLU 138 N 0.91 0.90 -0.01 0.28 5.08 -0.57 -2.66 114.58 118.52 1umn h GLU 138 Ca 0.16 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1umn h GLU 138 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1umn h GLU 138 CO 0.04 0.83 -0.07 0.39 -1.00 0.00 0.00 179.01 179.20 1umn n GLU 139 N -4.24 1.19 -1.04 2.33 1.02 -0.83 -4.94 120.64 114.13 1umn n GLU 139 Ca 0.04 -0.56 -0.02 0.00 -0.02 0.00 0.00 57.16 56.61 1umn n GLU 139 Cb 0.26 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.20 0.52 3.46 0.62 0.00 -0.54 -4.89 105.19 105.56 1umn n GLY 140 Ca 0.18 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.52 7.01 0.35 1.61 -1.08 -0.08 -4.83 116.67 117.13 1umn s ASP 141 Ca 0.00 -2.86 0.08 0.00 -0.52 0.00 0.00 52.55 49.25 1umn s ASP 141 Cb 0.00 -2.40 0.67 0.00 -1.46 0.00 0.00 42.92 39.72 1umn s ASP 141 CO 0.00 -0.79 1.85 0.77 0.52 0.00 0.00 175.17 177.52 1umn h SER 142 N 7.40 0.29 0.32 -0.34 4.64 -1.93 -1.58 113.55 122.35 1umn h SER 142 Ca 0.29 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1umn h SER 142 Cb 0.89 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1umn h SER 142 CO 1.23 0.48 -0.16 0.58 -0.87 0.00 0.00 176.83 178.09 1umn h VAL 143 N 0.28 0.70 -0.92 0.95 2.07 -1.96 -1.93 116.25 115.44 1umn h VAL 143 Ca 0.05 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1umn h VAL 143 Cb 0.47 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1umn h VAL 143 CO 0.03 0.04 0.60 0.74 0.02 0.00 0.00 177.57 179.00 1umn h THR 144 N -0.55 1.07 -0.38 2.57 2.02 -1.94 -2.33 112.91 113.37 1umn h THR 144 Ca -0.04 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1umn h THR 144 Cb 0.41 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1umn h THR 144 CO 0.07 0.19 0.08 -1.13 0.37 0.00 0.00 175.52 175.11 1umn h ASN 145 N 1.05 0.03 -0.15 4.18 -0.73 -0.94 -2.30 115.58 116.71 1umn h ASN 145 Ca 0.39 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.52 1umn h ASN 145 Cb 0.19 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1umn h ASN 145 CO -0.15 0.05 -0.23 0.44 -0.37 0.00 0.00 177.43 177.17 1umn h ASP 146 N 0.21 0.60 -0.86 1.15 5.19 -0.83 -1.78 116.42 120.09 1umn h ASP 146 Ca 0.18 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1umn h ASP 146 Cb 0.20 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 1umn h ASP 146 CO -0.23 0.83 0.56 0.40 -3.12 0.00 0.00 179.24 177.68 1umn h ILE 147 N 0.52 1.16 -0.29 0.35 2.04 -1.03 -0.47 117.51 119.80 1umn h ILE 147 Ca 0.08 -0.38 -0.18 0.00 1.00 0.00 0.00 64.86 65.38 1umn h ILE 147 Cb 0.69 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1umn h ILE 147 CO 0.05 0.20 -0.53 -0.26 0.00 0.00 0.00 178.15 177.61 1umn h PHE 148 N 1.10 1.06 -0.49 1.37 -1.00 -1.23 -2.54 116.94 115.21 1umn h PHE 148 Ca 0.34 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1umn h PHE 148 Cb -0.03 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 1umn h PHE 148 CO -0.02 1.19 0.31 -0.97 -1.61 0.00 0.00 178.31 177.21 1umn h ASN 149 N 0.65 0.58 -0.40 2.17 -0.00 -0.75 -0.08 115.58 117.75 1umn h ASN 149 Ca 0.02 -0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.21 1umn h ASN 149 Cb 1.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 39.29 1umn h ASN 149 CO 0.12 0.45 -0.03 0.58 -0.00 0.00 0.00 177.43 178.55 1umn h VAL 150 N 0.66 1.27 -0.53 2.57 2.07 -1.12 -1.11 116.25 120.05 1umn h VAL 150 Ca 0.18 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1umn h VAL 150 Cb -0.03 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1umn h VAL 150 CO -0.04 0.36 0.20 0.00 0.02 0.00 0.00 177.57 178.12 1umn h ALA 151 N 0.87 0.69 -0.64 1.67 0.00 -1.29 -2.72 119.26 117.84 1umn h ALA 151 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1umn h ALA 151 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1umn h ALA 151 CO 0.03 0.32 0.30 -0.22 0.00 0.00 0.00 179.25 179.67 1umn h LYS 152 N 0.72 0.92 -0.20 0.00 3.64 -0.86 -1.69 116.57 119.10 1umn h LYS 152 Ca 0.18 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1umn h LYS 152 Cb 0.22 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1umn h LYS 152 CO -0.01 0.74 -0.05 0.00 -2.27 0.00 0.00 179.45 177.86 1umn h ALA 153 N 1.13 0.14 -0.34 5.00 0.00 -0.95 -0.82 119.26 123.41 1umn h ALA 153 Ca 0.22 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1umn h ALA 153 Cb 0.13 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1umn h ALA 153 CO -0.03 -0.47 -0.44 0.66 0.00 0.00 0.00 179.25 178.97 1umn h SER 154 N 0.00 0.94 -0.73 0.00 4.64 -1.38 -2.31 113.55 114.72 1umn h SER 154 Ca 0.10 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1umn h SER 154 Cb 0.15 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1umn h SER 154 CO -0.20 1.23 0.31 0.40 -0.87 0.00 0.00 176.83 177.70 1umn h ILE 155 N 0.70 1.25 -0.08 0.95 1.08 -1.11 -1.64 117.51 118.65 1umn h ILE 155 Ca 0.05 -0.76 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1umn h ILE 155 Cb 1.02 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1umn h ILE 155 CO 0.10 0.31 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.17 1umn h GLU 156 N 1.07 0.16 -0.60 2.37 5.08 -1.06 -1.55 114.58 120.05 1umn h GLU 156 Ca 0.25 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1umn h GLU 156 Cb 0.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1umn h GLU 156 CO -0.02 0.51 0.03 -0.22 -1.00 0.00 0.00 179.01 178.31 1umn h LYS 157 N 0.14 1.01 -0.57 2.33 3.64 -0.81 -2.14 116.57 120.18 1umn h LYS 157 Ca 0.01 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1umn h LYS 157 Cb 0.73 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1umn h LYS 157 CO 0.05 0.98 0.04 0.45 -2.27 0.00 0.00 179.45 178.70 1umn h HIS 158 N 0.94 1.05 -0.69 1.91 3.86 -0.81 -2.26 115.15 119.15 1umn h HIS 158 Ca 0.18 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1umn h HIS 158 Cb 0.50 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.64 1umn h HIS 158 CO 0.03 0.94 0.40 0.82 0.86 0.00 0.00 177.93 180.98 1umn h ILE 159 N 0.86 1.00 -0.04 2.45 2.04 -0.95 0.17 117.51 123.04 1umn h ILE 159 Ca 0.17 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1umn h ILE 159 Cb 0.49 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1umn h ILE 159 CO 0.02 0.14 -0.14 -0.25 0.00 0.00 0.00 178.15 177.92 1umn h TRP 160 N 0.74 -0.36 -0.26 1.37 7.01 -1.08 -0.01 115.95 123.37 1umn h TRP 160 Ca 0.30 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 1umn h TRP 160 Cb 0.15 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1umn h TRP 160 CO -0.07 -0.21 0.15 0.52 -2.79 0.00 0.00 178.44 176.04 1umn h MET 161 N -0.21 0.36 -0.17 2.65 2.86 -0.75 0.11 114.93 119.77 1umn h MET 161 Ca 0.06 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1umn h MET 161 Cb 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1umn h MET 161 CO -0.16 0.31 0.10 -0.07 1.06 0.00 0.00 176.91 178.14 1umn h LEU 162 N 0.31 0.16 -0.82 1.22 3.38 -0.59 -0.89 115.31 118.09 1umn h LEU 162 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1umn h LEU 162 Cb 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1umn h LEU 162 CO -0.02 0.12 0.49 1.56 0.09 0.00 0.00 178.44 180.68 1umn h GLN 163 N 0.21 1.11 -0.84 1.13 1.08 -0.81 -1.21 115.11 115.79 1umn h GLN 163 Ca 0.07 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1umn h GLN 163 Cb -0.01 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.15 1umn h GLN 163 CO -0.03 0.79 0.55 0.00 -0.95 0.00 0.00 178.83 179.19 1umn h ALA 164 N 1.26 1.08 -0.57 3.87 0.00 -0.41 0.14 119.26 124.62 1umn h ALA 164 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1umn h ALA 164 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1umn h ALA 164 CO -0.05 0.44 0.31 1.49 0.00 0.00 0.00 179.25 181.44 1umn h GLU 165 N 1.11 0.78 -0.56 0.00 4.57 -0.25 -0.54 114.58 119.70 1umn h GLU 165 Ca 0.32 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1umn h GLU 165 Cb -0.09 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1umn h GLU 165 CO -0.08 0.57 0.00 1.28 -1.18 0.00 0.00 179.01 179.60 1umn n LEU 166 N -4.40 1.51 -1.48 1.64 4.77 -0.05 -4.88 117.00 114.11 1umn n LEU 166 Ca 0.05 -0.76 -0.15 0.00 -0.03 0.00 0.00 56.01 55.12 1umn n LEU 166 Cb 0.10 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1umn n LEU 166 CO 0.37 0.28 -0.17 0.61 -1.33 0.00 0.00 177.39 177.15 1umn n GLY 167 N 0.43 0.52 3.47 -0.72 0.00 -0.21 -5.00 105.19 103.68 1umn n GLY 167 Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.11 1.65 0.58 1.61 -0.21 0.27 -4.99 119.66 114.47 1umn s GLN 168 Ca 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 55.36 53.40 1umn s GLN 168 Cb 0.00 -1.16 -0.04 0.00 1.00 0.00 0.00 33.01 32.81 1umn s GLN 168 CO 0.00 -0.04 0.97 0.00 -2.12 0.00 0.00 175.29 174.10 1umn s ALA 169 N -3.04 3.16 0.26 6.09 0.00 -1.26 -3.22 121.76 123.75 1umn s ALA 169 Ca 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 1umn s ALA 169 Cb 0.06 -2.98 0.41 0.00 0.00 0.00 0.00 23.12 20.61 1umn s ALA 169 CO 0.14 -0.59 1.87 -1.35 0.00 0.00 0.00 175.76 175.83 1umn h PRO 170 N -0.12 1.06 -6.29 0.00 0.11 -1.87 -3.46 132.00 121.42 1umn h PRO 170 Ca -0.45 -0.06 -0.46 0.00 0.11 0.00 0.00 66.00 65.14 1umn h PRO 170 Cb 1.19 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1umn h PRO 170 CO 0.62 0.70 -0.86 1.63 -0.21 0.00 0.00 178.00 179.88 1umn n LYS 171 N -4.56 -3.97 0.00 1.05 5.02 -1.26 -4.85 118.16 109.59 1umn n LYS 171 Ca 0.15 0.51 0.02 0.00 -2.02 0.00 0.00 58.31 56.97 1umn n LYS 171 Cb 0.21 -4.82 0.13 0.00 -0.02 0.00 0.00 35.03 30.53 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16