#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn s SER 9 N 0.00 -0.08 0.24 0.00 1.04 -1.26 -5.14 113.70 108.51 1umn s SER 9 Ca 0.00 -0.30 -0.31 0.00 0.48 0.00 0.00 55.95 55.81 1umn s SER 9 Cb 0.00 0.36 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 1umn s SER 9 CO 0.00 -0.66 1.67 -2.65 0.98 0.00 0.00 173.24 172.58 1umn n PRO 10 N 0.39 2.74 -1.88 4.02 -0.02 -1.26 -4.96 135.00 134.02 1umn n PRO 10 Ca -0.18 0.98 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 1umn n PRO 10 Cb 0.60 -2.80 0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1umn n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1umn s ALA 11 N 0.69 2.47 -0.29 3.55 0.00 -1.26 -5.00 121.76 121.92 1umn s ALA 11 Ca 0.71 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 1umn s ALA 11 Cb -0.51 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 1umn s ALA 11 CO 0.39 -1.26 0.16 -1.21 0.00 0.00 0.00 175.76 173.84 1umn s GLU 12 N -3.64 3.67 0.32 0.00 2.02 -1.26 -5.07 118.70 114.74 1umn s GLU 12 Ca 0.73 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 1umn s GLU 12 Cb -0.26 -3.58 -0.11 0.00 0.10 0.00 0.00 34.13 30.28 1umn s GLU 12 CO 0.36 -0.28 1.51 0.42 0.02 0.00 0.00 175.26 177.30 1umn s ILE 13 N 1.69 2.21 -0.28 -1.63 -1.09 -1.26 -5.00 121.20 115.84 1umn s ILE 13 Ca 0.06 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 1umn s ILE 13 Cb -0.16 -3.12 0.08 0.00 -1.58 0.00 0.00 42.46 37.67 1umn s ILE 13 CO 0.08 0.04 -0.03 0.00 -1.23 0.00 0.00 174.94 173.80 1umn s ALA 14 N -0.48 2.45 0.16 9.38 0.00 -1.26 -5.10 121.76 126.90 1umn s ALA 14 Ca 0.58 -1.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 1umn s ALA 14 Cb -0.46 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1umn s ALA 14 CO 0.53 -1.38 0.20 -1.54 0.00 0.00 0.00 175.76 173.57 1umn s SER 15 N 1.15 0.13 0.28 0.00 1.04 -1.26 -5.14 113.70 109.91 1umn s SER 15 Ca -0.01 -1.04 -0.27 0.00 0.48 0.00 0.00 55.95 55.11 1umn s SER 15 Cb -0.19 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1umn s SER 15 CO -0.08 -0.85 0.93 -0.36 0.98 0.00 0.00 173.24 173.86 1umn s PHE 16 N -4.02 3.81 0.07 5.02 0.40 -1.26 -4.96 117.98 117.04 1umn s PHE 16 Ca 0.22 1.81 -0.22 0.00 -0.60 0.00 0.00 56.93 58.15 1umn s PHE 16 Cb 0.05 -2.93 -0.13 0.00 0.51 0.00 0.00 43.02 40.52 1umn s PHE 16 CO 0.02 0.32 1.57 0.77 0.70 0.00 0.00 175.22 178.60 1umn h SER 17 N 3.59 0.15 0.00 1.36 0.02 -2.04 -3.45 113.55 113.18 1umn h SER 17 Ca -0.46 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1umn h SER 17 Cb 1.20 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1umn h SER 17 CO 0.66 0.32 0.00 -0.81 -1.14 0.00 0.00 176.83 175.86 1umn n PRO 18 N -4.89 0.00 0.00 3.45 -0.04 -1.26 -4.85 135.00 127.41 1umn n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1umn n PRO 18 Cb 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1umn n PRO 18 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1umn n ARG 19 N 14.00 0.00 0.00 0.54 3.00 -1.26 -4.94 116.66 128.00 1umn n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1umn n ARG 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1umn n ARG 19 CO 0.00 0.00 0.00 -3.68 0.00 0.00 0.00 177.63 173.95 1umn n PRO 20 N 0.00 0.00 -0.20 -0.14 -0.09 -1.26 -4.85 135.00 128.46 1umn n PRO 20 Ca 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 63.50 63.41 1umn n PRO 20 Cb 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 33.50 33.41 1umn n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.09 0.00 0.00 175.50 174.28 1umn n SER 21 N 4.01 0.00 -3.09 0.58 3.41 -1.26 -4.73 113.62 112.55 1umn n SER 21 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1umn n SER 21 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1umn n SER 21 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1umn n LEU 22 N 0.77 8.02 0.18 1.04 4.32 -1.26 -4.67 117.00 125.40 1umn n LEU 22 Ca 0.00 -4.24 -0.14 0.00 -0.02 0.00 0.00 56.01 51.60 1umn n LEU 22 Cb 0.00 -1.50 -0.08 0.00 -1.62 0.00 0.00 43.42 40.22 1umn n LEU 22 CO 0.00 2.00 0.70 0.00 -1.22 0.00 0.00 177.39 178.87 1umn h ALA 23 N 4.54 -0.42 -0.75 -1.18 0.00 -1.93 -3.45 119.26 116.07 1umn h ALA 23 Ca 0.72 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.86 1umn h ALA 23 Cb 0.50 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1umn h ALA 23 CO 1.45 -0.68 -0.51 0.16 0.00 0.00 0.00 179.25 179.67 1umn s ASP 24 N -4.91 3.72 0.22 0.00 3.84 -1.26 -5.02 116.67 113.27 1umn s ASP 24 Ca -0.15 -1.67 -0.07 0.00 -0.00 0.00 0.00 52.55 50.66 1umn s ASP 24 Cb 0.04 0.54 0.31 0.00 -1.38 0.00 0.00 42.92 42.42 1umn s ASP 24 CO 0.62 -0.89 1.81 0.28 -0.00 0.00 0.00 175.17 176.99 1umn h SER 25 N 1.48 0.59 -0.86 2.11 0.02 -1.91 -1.94 113.55 113.04 1umn h SER 25 Ca -0.41 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1umn h SER 25 Cb 1.30 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 1umn h SER 25 CO 0.68 0.36 0.47 0.11 -1.14 0.00 0.00 176.83 177.32 1umn h LYS 26 N 0.72 1.19 -0.53 3.45 1.57 -1.97 -0.21 116.57 120.80 1umn h LYS 26 Ca 0.34 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1umn h LYS 26 Cb 0.27 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1umn h LYS 26 CO -0.22 0.87 0.13 0.00 -0.57 0.00 0.00 179.45 179.66 1umn h ALA 27 N 1.26 0.70 -0.16 3.86 0.00 -1.73 -0.91 119.26 122.27 1umn h ALA 27 Ca 0.30 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1umn h ALA 27 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1umn h ALA 27 CO -0.05 0.40 -0.66 -0.24 0.00 0.00 0.00 179.25 178.70 1umn h VAL 28 N 0.75 1.32 -0.85 0.00 3.04 -1.16 -0.42 116.25 118.92 1umn h VAL 28 Ca 0.17 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 1umn h VAL 28 Cb 0.34 1.90 -0.04 0.00 -2.01 0.00 0.00 31.29 31.48 1umn h VAL 28 CO 0.00 0.60 0.54 -0.07 -1.01 0.00 0.00 177.57 177.64 1umn h LEU 29 N 0.46 0.99 -0.70 3.16 3.38 -0.91 0.22 115.31 121.91 1umn h LEU 29 Ca -0.02 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1umn h LEU 29 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1umn h LEU 29 CO 0.13 0.74 -0.52 -1.13 0.09 0.00 0.00 178.44 177.75 1umn h ASN 30 N 1.16 0.38 -0.69 -0.43 -1.24 -0.98 0.18 115.58 113.96 1umn h ASN 30 Ca 0.31 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 1umn h ASN 30 Cb -0.10 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1umn h ASN 30 CO -0.06 0.83 0.23 -0.61 -1.29 0.00 0.00 177.43 176.53 1umn h GLN 31 N 0.27 1.07 -0.63 6.67 5.75 -0.16 -1.80 115.11 126.29 1umn h GLN 31 Ca 0.01 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 1umn h GLN 31 Cb 1.00 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 1umn h GLN 31 CO 0.09 0.90 0.22 0.00 -2.65 0.00 0.00 178.83 177.39 1umn h ALA 32 N 1.22 0.82 -0.60 3.38 0.00 0.16 0.20 119.26 124.44 1umn h ALA 32 Ca 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1umn h ALA 32 Cb 0.27 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1umn h ALA 32 CO -0.01 0.47 0.22 0.28 0.00 0.00 0.00 179.25 180.21 1umn h VAL 33 N 0.89 0.78 0.09 0.00 2.07 -0.36 0.36 116.25 120.07 1umn h VAL 33 Ca 0.21 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1umn h VAL 33 Cb 0.25 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1umn h VAL 33 CO -0.01 0.07 -0.04 0.00 0.02 0.00 0.00 177.57 177.61 1umn h ALA 34 N 1.41 -0.12 -0.73 1.67 0.00 -0.93 -2.50 119.26 118.06 1umn h ALA 34 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1umn h ALA 34 Cb 0.36 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1umn h ALA 34 CO -0.30 -0.34 0.37 -0.44 0.00 0.00 0.00 179.25 178.54 1umn h ASP 35 N -0.57 0.93 0.03 0.00 3.32 -0.70 -1.79 116.42 117.64 1umn h ASP 35 Ca -0.01 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1umn h ASP 35 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1umn h ASP 35 CO 0.02 0.77 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.91 1umn h LEU 36 N 1.03 0.44 -0.31 1.55 3.38 -0.34 0.81 115.31 121.87 1umn h LEU 36 Ca 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1umn h LEU 36 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1umn h LEU 36 CO -0.04 0.74 0.01 0.28 0.09 0.00 0.00 178.44 179.53 1umn h SER 37 N 0.37 0.52 0.06 -0.43 0.02 -0.94 -0.17 113.55 112.98 1umn h SER 37 Ca 0.04 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 1umn h SER 37 Cb 0.76 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1umn h SER 37 CO 0.06 0.69 -0.45 0.58 -1.14 0.00 0.00 176.83 176.57 1umn h VAL 38 N 0.34 1.31 -0.83 2.27 2.07 -1.18 -2.60 116.25 117.64 1umn h VAL 38 Ca 0.09 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1umn h VAL 38 Cb 0.42 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1umn h VAL 38 CO 0.01 0.51 0.40 0.00 0.02 0.00 0.00 177.57 178.51 1umn h ALA 39 N 1.14 1.07 -0.60 1.67 0.00 -0.56 -0.69 119.26 121.28 1umn h ALA 39 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1umn h ALA 39 Cb 0.94 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1umn h ALA 39 CO 0.08 0.64 0.39 1.25 0.00 0.00 0.00 179.25 181.61 1umn h HIS 40 N 1.18 0.77 -0.52 0.00 6.17 -0.85 -0.06 115.15 121.83 1umn h HIS 40 Ca 0.28 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.36 1umn h HIS 40 Cb 0.12 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 1umn h HIS 40 CO 0.01 0.49 0.26 1.03 0.71 0.00 0.00 177.93 180.44 1umn h SER 41 N 0.82 0.67 -0.35 3.26 0.87 -1.03 -0.53 113.55 117.26 1umn h SER 41 Ca 0.22 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1umn h SER 41 Cb -0.08 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1umn h SER 41 CO -0.05 0.59 0.07 0.40 -0.53 0.00 0.00 176.83 177.31 1umn h ILE 42 N 0.69 1.23 -0.82 2.23 2.04 -0.79 -1.26 117.51 120.83 1umn h ILE 42 Ca 0.18 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1umn h ILE 42 Cb 0.09 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1umn h ILE 42 CO -0.03 0.27 0.53 -0.07 0.00 0.00 0.00 178.15 178.85 1umn h LEU 43 N 0.41 0.86 -1.10 1.44 3.38 -0.80 -0.58 115.31 118.92 1umn h LEU 43 Ca 0.11 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1umn h LEU 43 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1umn h LEU 43 CO 0.00 0.59 0.15 -0.74 0.09 0.00 0.00 178.44 178.54 1umn h HIS 44 N 1.01 0.80 -0.14 1.13 2.76 -0.77 0.43 115.15 120.38 1umn h HIS 44 Ca 0.33 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1umn h HIS 44 Cb 0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1umn h HIS 44 CO -0.03 0.66 0.03 0.37 -1.30 0.00 0.00 177.93 177.67 1umn h GLN 45 N 0.77 0.22 -0.98 5.26 4.15 -0.11 -0.34 115.11 124.08 1umn h GLN 45 Ca 0.17 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.59 1umn h GLN 45 Cb 0.25 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1umn h GLN 45 CO -0.01 0.38 0.64 0.28 -1.93 0.00 0.00 178.83 178.19 1umn h VAL 46 N 0.03 1.13 0.03 2.39 2.07 -0.71 -0.41 116.25 120.78 1umn h VAL 46 Ca 0.04 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1umn h VAL 46 Cb 0.26 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1umn h VAL 46 CO 0.00 0.22 -0.09 -0.74 0.02 0.00 0.00 177.57 176.98 1umn h HIS 47 N 1.21 -0.22 -0.18 1.57 -0.00 -0.55 -2.43 115.15 114.54 1umn h HIS 47 Ca 0.41 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.69 1umn h HIS 47 Cb 0.07 0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1umn h HIS 47 CO -0.00 -0.14 -0.25 -1.49 -0.00 0.00 0.00 177.93 176.04 1umn h TRP 48 N -0.17 0.61 -0.01 5.26 6.55 -0.58 -3.32 115.95 124.29 1umn h TRP 48 Ca 0.03 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1umn h TRP 48 Cb 0.19 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 1umn h TRP 48 CO -0.14 0.90 -0.03 0.66 -1.05 0.00 0.00 178.44 178.77 1umn n TYR 49 N -4.40 0.00 -1.89 0.49 4.02 -0.21 -4.95 117.16 110.22 1umn n TYR 49 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 1umn n TYR 49 Cb 0.44 -0.04 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 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 -2.11 4.19 0.06 -0.72 1.75 -0.92 -4.31 119.30 117.24 1umn s MET 50 Ca 0.39 2.44 -0.10 0.00 -1.25 0.00 0.00 55.69 57.17 1umn s MET 50 Cb 0.21 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.82 1umn s MET 50 CO 0.38 -0.53 0.21 1.03 -0.65 0.00 0.00 175.02 175.46 1umn s ARG 51 N -0.41 0.76 0.00 4.11 0.52 -1.26 -5.04 118.95 117.63 1umn s ARG 51 Ca 0.61 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1umn s ARG 51 Cb -0.45 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.34 1umn s ARG 51 CO 0.45 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1umn n GLY 52 N 0.41 3.01 3.70 -3.53 0.00 -1.26 -4.32 105.19 103.20 1umn n GLY 52 Ca -0.17 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.87 4.14 0.00 1.61 1.81 -1.26 -1.42 118.95 120.95 1umn s ARG 53 Ca 0.00 2.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.60 1umn s ARG 53 Cb 0.00 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.05 1umn s ARG 53 CO 0.00 -0.81 0.00 0.41 -0.68 0.00 0.00 175.30 174.22 1umn n GLY 54 N 4.15 0.83 0.21 -3.53 0.00 -1.26 -4.91 105.19 100.68 1umn n GLY 54 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.08 -0.06 1.61 3.57 -1.58 -1.06 116.94 119.34 1umn h PHE 55 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1umn h PHE 55 Cb 0.00 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1umn h PHE 55 CO 0.00 -0.15 0.10 1.98 -2.23 0.00 0.00 178.31 178.01 1umn h MET 56 N 0.10 0.00 0.02 1.11 4.05 -1.94 0.58 114.93 118.85 1umn h MET 56 Ca 0.27 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.30 1umn h MET 56 Cb 0.42 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.16 1umn h MET 56 CO -0.47 0.00 -2.36 1.51 0.23 0.00 0.00 176.91 175.82 1umn n ILE 57 N -3.56 1.55 0.14 1.77 0.00 -0.78 -4.47 119.36 114.01 1umn n ILE 57 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 62.75 62.21 1umn n ILE 57 Cb 0.19 -1.55 0.03 0.00 0.00 0.00 0.00 39.64 38.32 1umn n ILE 57 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1umn h TRP 58 N -0.12 0.00 0.77 9.51 4.06 -0.98 -2.85 115.95 126.33 1umn h TRP 58 Ca -0.56 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.35 1umn h TRP 58 Cb 1.88 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.05 1umn h TRP 58 CO 0.03 0.52 -0.37 1.25 -3.56 0.00 0.00 178.44 176.30 1umn h HIS 59 N 0.00 -0.96 0.00 0.49 2.76 -1.11 -1.58 115.15 114.76 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 1.38 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 30.65 1umn h HIS 59 CO 0.00 -0.58 -0.15 -1.00 -1.30 0.00 0.00 177.93 174.89 1umn h PRO 60 N -1.08 0.00 -0.85 5.26 0.13 -1.78 -2.37 132.00 131.31 1umn h PRO 60 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1umn h PRO 60 Cb 0.80 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1umn h PRO 60 CO 0.17 0.15 0.42 -0.22 -0.23 0.00 0.00 178.00 178.30 1umn h LYS 61 N 0.00 1.22 -0.60 0.86 1.63 -1.21 -1.67 116.57 116.80 1umn h LYS 61 Ca -0.00 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1umn h LYS 61 Cb 0.37 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1umn h LYS 61 CO 0.02 0.93 0.40 0.52 -3.45 0.00 0.00 179.45 177.87 1umn h MET 62 N 1.21 0.73 -0.76 1.90 2.86 -0.75 0.58 114.93 120.71 1umn h MET 62 Ca 0.29 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1umn h MET 62 Cb 0.11 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1umn h MET 62 CO -0.04 0.48 0.30 0.22 1.06 0.00 0.00 176.91 178.94 1umn h ASP 63 N 0.75 1.05 -0.44 1.22 3.58 -1.30 0.16 116.42 121.44 1umn h ASP 63 Ca 0.23 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 1umn h ASP 63 Cb 0.01 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1umn h ASP 63 CO -0.06 0.94 0.10 -0.33 -2.88 0.00 0.00 179.24 177.01 1umn h GLU 64 N 1.10 0.71 -0.74 0.28 5.08 -0.57 -1.58 114.58 118.86 1umn h GLU 64 Ca 0.25 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1umn h GLU 64 Cb 0.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1umn h GLU 64 CO -0.02 0.71 0.44 1.88 -1.00 0.00 0.00 179.01 181.03 1umn h TYR 65 N 0.58 0.98 -0.68 4.33 0.99 -0.49 -1.03 116.97 121.65 1umn h TYR 65 Ca 0.14 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.91 1umn h TYR 65 Cb 0.33 -0.32 -0.05 0.00 1.00 0.00 0.00 36.73 37.69 1umn h TYR 65 CO 0.02 0.67 0.40 0.52 -0.00 0.00 0.00 178.16 179.77 1umn h MET 66 N 1.01 0.74 -0.68 4.88 2.86 -0.38 0.81 114.93 124.18 1umn h MET 66 Ca 0.27 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1umn h MET 66 Cb -0.02 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1umn h MET 66 CO -0.05 0.49 0.29 0.93 1.06 0.00 0.00 176.91 179.63 1umn h GLU 67 N 0.76 1.01 -0.52 1.72 3.07 -0.67 0.94 114.58 120.89 1umn h GLU 67 Ca 0.29 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1umn h GLU 67 Cb 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1umn h GLU 67 CO -0.15 0.82 0.26 1.49 -1.40 0.00 0.00 179.01 180.03 1umn h GLU 68 N 0.96 0.75 -0.45 2.33 4.81 -0.36 -1.04 114.58 121.58 1umn h GLU 68 Ca 0.23 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1umn h GLU 68 Cb 0.18 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1umn h GLU 68 CO -0.02 0.61 0.30 0.82 -0.73 0.00 0.00 179.01 179.99 1umn h ILE 69 N 0.70 1.11 -0.76 2.32 1.08 -0.35 -1.77 117.51 119.83 1umn h ILE 69 Ca 0.18 -0.21 0.12 0.00 -0.39 0.00 0.00 64.86 64.56 1umn h ILE 69 Cb 0.11 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1umn h ILE 69 CO -0.02 0.11 0.36 0.44 -0.69 0.00 0.00 178.15 178.35 1umn h ASP 70 N 0.61 0.43 -0.34 1.72 3.45 -0.42 -0.80 116.42 121.07 1umn h ASP 70 Ca 0.17 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 1umn h ASP 70 Cb -0.07 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1umn h ASP 70 CO -0.04 0.21 0.20 1.23 -1.57 0.00 0.00 179.24 179.27 1umn h GLY 71 N 0.56 0.50 1.00 2.75 0.00 -0.38 -0.37 103.07 107.12 1umn h GLY 71 Ca 0.40 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1umn h GLY 71 CO -0.33 0.20 0.61 -0.97 0.00 0.00 0.00 176.54 176.04 1umn h TYR 72 N 0.44 1.15 -0.89 5.60 0.05 -0.61 -1.29 116.97 121.42 1umn h TYR 72 Ca 0.12 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1umn h TYR 72 Cb 0.01 -0.39 -0.05 0.00 1.01 0.00 0.00 36.73 37.31 1umn h TYR 72 CO -0.04 0.72 0.58 1.25 -1.05 0.00 0.00 178.16 179.62 1umn h LEU 73 N 1.23 0.99 0.02 3.88 5.85 -0.61 -0.43 115.31 126.23 1umn h LEU 73 Ca 0.34 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1umn h LEU 73 Cb -0.13 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.66 1umn h LEU 73 CO -0.08 0.70 -0.01 0.44 -0.34 0.00 0.00 178.44 179.15 1umn h ASP 74 N 1.16 -0.02 -0.22 1.25 3.32 -0.06 -0.59 116.42 121.25 1umn h ASP 74 Ca 0.34 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1umn h ASP 74 Cb -0.07 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1umn h ASP 74 CO -0.09 0.08 0.14 -0.33 -1.72 0.00 0.00 179.24 177.31 1umn h GLU 75 N -0.12 0.29 -0.10 3.56 5.08 -0.81 -1.38 114.58 121.10 1umn h GLU 75 Ca -0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1umn h GLU 75 Cb 0.11 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1umn h GLU 75 CO 0.00 0.21 -0.83 0.52 -1.00 0.00 0.00 179.01 177.92 1umn h MET 76 N 0.29 0.69 -0.30 2.33 2.86 -1.10 -1.69 114.93 118.00 1umn h MET 76 Ca 0.08 -0.60 -0.09 0.00 -2.06 0.00 0.00 59.70 57.03 1umn h MET 76 Cb -0.02 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1umn h MET 76 CO -0.02 1.21 -0.17 0.66 1.06 0.00 0.00 176.91 179.65 1umn h SER 77 N 0.45 0.67 -0.81 1.22 4.64 -1.12 -1.35 113.55 117.25 1umn h SER 77 Ca -0.06 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 1umn h SER 77 Cb 1.45 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1umn h SER 77 CO 0.16 0.94 0.36 -0.33 -0.87 0.00 0.00 176.83 177.09 1umn h GLU 78 N 0.40 1.19 -0.69 4.77 5.08 -1.27 -1.83 114.58 122.22 1umn h GLU 78 Ca 0.06 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1umn h GLU 78 Cb 0.70 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1umn h GLU 78 CO 0.05 0.94 0.20 -0.09 -1.00 0.00 0.00 179.01 179.11 1umn h ARG 79 N 1.17 1.09 -0.06 2.33 9.65 -1.19 -0.44 114.38 126.93 1umn h ARG 79 Ca 0.28 -0.24 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1umn h ARG 79 Cb 0.17 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1umn h ARG 79 CO -0.03 0.95 -0.06 1.25 2.80 0.00 0.00 179.97 184.88 1umn h LEU 80 N 1.03 -0.18 -0.61 3.80 5.85 -0.80 -0.44 115.31 123.95 1umn h LEU 80 Ca 0.22 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1umn h LEU 80 Cb 0.33 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1umn h LEU 80 CO -0.00 -0.08 0.37 0.40 -0.34 0.00 0.00 178.44 178.79 1umn h ILE 81 N -0.08 1.07 -0.04 4.05 2.04 -1.16 0.66 117.51 124.05 1umn h ILE 81 Ca 0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1umn h ILE 81 Cb 0.14 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1umn h ILE 81 CO -0.10 0.13 -0.04 0.74 0.00 0.00 0.00 178.15 178.88 1umn h THR 82 N 0.73 1.06 -0.01 -0.27 2.02 -0.56 -0.13 112.91 115.76 1umn h THR 82 Ca 0.25 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1umn h THR 82 Cb 0.03 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1umn h THR 82 CO -0.11 0.08 -0.02 0.18 0.37 0.00 0.00 175.52 176.02 1umn n LEU 83 N -4.45 0.66 0.00 2.58 4.77 -0.22 -4.89 117.00 115.45 1umn n LEU 83 Ca -0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1umn n LEU 83 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1umn n LEU 83 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1umn n GLY 84 N 1.12 0.80 2.88 -0.72 0.00 -0.06 -5.08 105.19 104.13 1umn n GLY 84 Ca 0.20 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.37 -0.33 2.71 -0.02 0.00 0.13 -4.99 105.19 100.33 1umn n GLY 85 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.51 1.22 0.43 4.61 0.00 -1.26 -4.42 121.76 118.83 1umn s ALA 86 Ca 0.53 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 1umn s ALA 86 Cb -0.02 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1umn s ALA 86 CO 0.36 -1.47 1.29 -1.25 0.00 0.00 0.00 175.76 174.68 1umn s PRO 87 N 1.77 3.86 0.38 0.00 0.04 -1.26 -4.95 135.00 134.84 1umn s PRO 87 Ca 0.05 2.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.93 1umn s PRO 87 Cb -0.17 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.60 1umn s PRO 87 CO -0.20 -0.56 1.46 1.19 0.04 0.00 0.00 177.00 178.92 1umn n PHE 88 N -0.06 2.89 -2.60 0.56 0.99 -1.26 -4.90 117.46 113.08 1umn n PHE 88 Ca 0.05 0.46 -0.01 0.00 -0.00 0.00 0.00 57.45 57.94 1umn n PHE 88 Cb 0.44 -2.51 0.05 0.00 -1.00 0.00 0.00 39.48 36.46 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 0.39 0.12 -3.85 4.37 3.41 -1.26 -4.95 113.62 111.86 1umn n SER 89 Ca 0.02 -2.08 -0.12 0.00 -0.26 0.00 0.00 58.87 56.44 1umn n SER 89 Cb 0.39 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.34 0.05 0.53 6.66 -4.23 -1.26 -5.03 115.64 111.02 1umn s THR 90 Ca 0.18 -0.44 0.20 0.00 -1.18 0.00 0.00 61.69 60.45 1umn s THR 90 Cb 0.33 -0.38 0.30 0.00 1.34 0.00 0.00 72.50 74.10 1umn s THR 90 CO -0.08 -0.24 2.13 -0.07 -0.54 0.00 0.00 174.62 175.81 1umn h LEU 91 N 4.82 0.00 -0.32 4.79 3.38 -1.99 -1.14 115.31 124.86 1umn h LEU 91 Ca -0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1umn h LEU 91 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1umn h LEU 91 CO 0.40 0.00 0.06 0.50 0.09 0.00 0.00 178.44 179.49 1umn h LYS 92 N 0.00 0.53 -0.58 1.13 3.64 -1.99 -0.03 116.57 119.27 1umn h LYS 92 Ca 0.05 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1umn h LYS 92 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1umn h LYS 92 CO -0.00 0.61 -0.03 0.93 -2.27 0.00 0.00 179.45 178.69 1umn h GLU 93 N 0.36 1.05 0.80 1.90 5.08 -1.66 -1.37 114.58 120.74 1umn h GLU 93 Ca 0.10 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1umn h GLU 93 Cb 0.34 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1umn h GLU 93 CO 0.01 1.04 -0.39 0.74 -1.00 0.00 0.00 179.01 179.41 1umn h PHE 94 N 0.94 -1.02 -0.73 4.33 0.05 -1.08 -1.13 116.94 118.30 1umn h PHE 94 Ca 0.16 -0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.98 1umn h PHE 94 Cb 0.59 0.34 -0.05 0.00 2.00 0.00 0.00 35.95 38.83 1umn h PHE 94 CO 0.04 -0.63 0.44 1.03 -0.18 0.00 0.00 178.31 179.01 1umn h SER 95 N -1.08 0.68 0.71 2.17 0.87 -1.00 0.03 113.55 115.93 1umn h SER 95 Ca -0.11 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 1umn h SER 95 Cb 0.83 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1umn h SER 95 CO 0.18 0.44 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.86 1umn h GLU 96 N 0.81 0.01 0.00 2.24 5.08 -1.23 -3.30 114.58 118.20 1umn h GLU 96 Ca 0.32 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.44 1umn h GLU 96 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1umn h GLU 96 CO -0.16 0.74 -1.34 -0.91 -1.00 0.00 0.00 179.01 176.34 1umn h ASN 97 N 0.01 0.00 -4.03 1.42 2.35 -0.89 -3.47 115.58 110.97 1umn h ASN 97 Ca -0.01 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.24 1umn h ASN 97 Cb 1.29 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.72 1umn h ASN 97 CO 0.10 0.83 0.46 -0.55 -1.65 0.00 0.00 177.43 176.61 1umn s SER 98 N -6.17 6.07 0.00 5.81 0.15 -0.03 -4.88 113.70 114.65 1umn s SER 98 Ca -0.02 2.23 0.25 0.00 0.70 0.00 0.00 55.95 59.11 1umn s SER 98 Cb 0.09 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.20 1umn s SER 98 CO 0.81 -0.98 1.37 0.00 1.20 0.00 0.00 173.24 175.64 1umn n GLN 99 N -0.75 1.97 -2.96 5.44 6.02 -1.26 -4.90 117.38 120.94 1umn n GLN 99 Ca 0.09 -1.52 -0.37 0.00 -0.01 0.00 0.00 57.00 55.18 1umn n GLN 99 Cb 0.49 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 1umn n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1umn s LEU 100 N -2.08 4.42 -0.13 1.08 1.43 -1.26 -5.06 118.68 117.08 1umn s LEU 100 Ca 0.29 1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 1umn s LEU 100 Cb 0.20 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1umn s LEU 100 CO 0.35 0.06 -0.04 -1.59 0.23 0.00 0.00 176.35 175.36 1umn s LYS 101 N -1.75 3.45 0.07 1.70 0.00 -1.26 -5.08 119.74 116.87 1umn s LYS 101 Ca 0.43 -0.51 0.02 0.00 0.00 0.00 0.00 55.97 55.91 1umn s LYS 101 Cb -0.19 -2.85 -0.04 0.00 0.00 0.00 0.00 37.83 34.75 1umn s LYS 101 CO 0.24 0.37 0.10 -1.21 0.00 0.00 0.00 175.35 174.85 1umn s GLU 102 N 0.02 3.01 0.24 1.78 2.02 -1.26 -5.11 118.70 119.39 1umn s GLU 102 Ca 0.01 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1umn s GLU 102 Cb -0.13 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 1umn s GLU 102 CO 0.03 0.58 0.02 0.14 0.02 0.00 0.00 175.26 176.04 1umn s VAL 103 N -1.40 0.96 0.43 2.63 -7.23 -1.26 -5.13 120.40 109.41 1umn s VAL 103 Ca 0.30 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 1umn s VAL 103 Cb -0.12 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 1umn s VAL 103 CO 0.23 -0.26 1.32 -0.76 -0.31 0.00 0.00 175.10 175.32 1umn s LEU 104 N -3.31 4.14 0.45 1.32 1.02 -1.26 -4.95 118.68 116.09 1umn s LEU 104 Ca 0.30 2.70 -0.25 0.00 0.02 0.00 0.00 54.13 56.90 1umn s LEU 104 Cb 0.06 -3.97 -0.08 0.00 0.02 0.00 0.00 46.19 42.22 1umn s LEU 104 CO 0.10 -1.00 1.36 -0.83 0.02 0.00 0.00 176.35 176.00 1umn s GLY 105 N -0.76 2.91 -0.07 -3.19 0.00 -1.26 -5.03 107.32 99.93 1umn s GLY 105 Ca 0.60 1.33 -0.03 0.00 0.00 0.00 0.00 44.72 46.62 1umn s GLY 105 CO 0.49 1.91 0.13 -0.35 0.00 0.00 0.00 173.10 175.29 1umn s ASP 106 N -0.71 0.23 0.19 1.64 2.15 -1.26 -5.04 116.67 113.87 1umn s ASP 106 Ca 0.61 0.27 0.25 0.00 0.43 0.00 0.00 52.55 54.12 1umn s ASP 106 Cb -0.40 0.17 0.90 0.00 -0.30 0.00 0.00 42.92 43.29 1umn s ASP 106 CO 0.51 -0.18 1.77 -1.22 -0.17 0.00 0.00 175.17 175.88 1umn n TYR 107 N 4.60 0.75 -2.30 -5.34 4.02 -1.26 -4.17 117.16 113.46 1umn n TYR 107 Ca -0.19 0.24 -0.39 0.00 -0.01 0.00 0.00 57.90 57.55 1umn n TYR 107 Cb 0.51 -0.89 0.03 0.00 -0.02 0.00 0.00 39.34 38.97 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 -2.13 7.19 -4.27 7.72 4.13 -1.26 -4.56 115.26 122.09 1umn n ASN 108 Ca 0.05 -3.76 -0.32 0.00 1.68 0.00 0.00 54.58 52.23 1umn n ASN 108 Cb 0.36 -1.06 -0.16 0.00 -1.54 0.00 0.00 39.78 37.38 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1umn s VAL 109 N -4.76 2.07 0.86 2.41 1.01 -1.26 -5.12 120.40 115.61 1umn s VAL 109 Ca 0.46 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1umn s VAL 109 Cb 0.33 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1umn s VAL 109 CO -0.27 0.57 1.09 0.42 0.00 0.00 0.00 175.10 176.91 1umn s THR 110 N -0.11 2.81 0.14 3.92 -4.23 -1.26 -4.60 115.64 112.31 1umn s THR 110 Ca -0.05 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1umn s THR 110 Cb -0.14 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1umn s THR 110 CO 0.04 -0.34 1.70 0.40 -0.54 0.00 0.00 174.62 175.88 1umn h ILE 111 N -1.39 1.19 -0.89 2.99 1.08 -1.91 -0.71 117.51 117.87 1umn h ILE 111 Ca -0.48 -0.57 0.10 0.00 -0.39 0.00 0.00 64.86 63.51 1umn h ILE 111 Cb 1.28 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.73 1umn h ILE 111 CO 0.56 0.21 0.53 -0.33 -0.69 0.00 0.00 178.15 178.43 1umn h GLU 112 N 0.55 0.84 -0.38 2.37 3.07 -1.96 0.55 114.58 119.61 1umn h GLU 112 Ca 0.14 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1umn h GLU 112 Cb 0.16 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1umn h GLU 112 CO -0.01 0.56 0.02 0.93 -1.40 0.00 0.00 179.01 179.10 1umn h GLU 113 N 0.86 0.67 0.22 2.33 5.08 -1.78 -1.13 114.58 120.84 1umn h GLU 113 Ca 0.43 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1umn h GLU 113 Cb 0.40 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1umn h GLU 113 CO -0.25 0.75 -0.13 1.96 -1.00 0.00 0.00 179.01 180.34 1umn h GLN 114 N 0.50 -0.32 -0.67 2.33 1.08 -0.21 -1.90 115.11 115.91 1umn h GLN 114 Ca 0.11 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1umn h GLN 114 Cb 0.44 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1umn h GLN 114 CO 0.02 -0.22 0.44 -0.07 -0.95 0.00 0.00 178.83 178.05 1umn h LEU 115 N -0.34 0.76 -1.04 1.46 3.38 -0.89 -1.38 115.31 117.27 1umn h LEU 115 Ca -0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1umn h LEU 115 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1umn h LEU 115 CO 0.03 0.55 -0.03 0.00 0.09 0.00 0.00 178.44 179.08 1umn h ALA 116 N 1.59 1.21 -0.52 1.53 0.00 -0.95 -0.64 119.26 121.48 1umn h ALA 116 Ca 0.25 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1umn h ALA 116 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1umn h ALA 116 CO -0.06 0.52 -0.14 -0.09 0.00 0.00 0.00 179.25 179.48 1umn h ARG 117 N 0.61 1.00 -0.53 0.00 2.43 -0.46 -1.14 114.38 116.30 1umn h ARG 117 Ca 0.12 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1umn h ARG 117 Cb 0.43 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1umn h ARG 117 CO 0.02 1.07 0.14 0.28 -1.51 0.00 0.00 179.97 179.97 1umn h VAL 118 N 0.88 1.24 -0.59 0.20 2.07 -0.85 -1.11 116.25 118.09 1umn h VAL 118 Ca 0.13 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1umn h VAL 118 Cb 0.71 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1umn h VAL 118 CO 0.05 0.31 0.34 0.58 0.02 0.00 0.00 177.57 178.87 1umn h VAL 119 N 0.74 1.02 -0.37 2.57 2.07 -0.87 0.12 116.25 121.52 1umn h VAL 119 Ca 0.17 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1umn h VAL 119 Cb 0.32 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1umn h VAL 119 CO -0.00 0.12 -0.06 -0.33 0.02 0.00 0.00 177.57 177.32 1umn h GLU 120 N 0.65 0.62 -0.40 1.57 4.39 -0.84 0.13 114.58 120.70 1umn h GLU 120 Ca 0.25 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1umn h GLU 120 Cb 0.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1umn h GLU 120 CO -0.13 0.68 0.08 0.28 -1.16 0.00 0.00 179.01 178.76 1umn h VAL 121 N 0.58 1.23 -0.36 3.13 2.07 -0.20 -2.32 116.25 120.38 1umn h VAL 121 Ca 0.11 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1umn h VAL 121 Cb 0.45 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1umn h VAL 121 CO 0.02 0.28 -0.15 -0.26 0.02 0.00 0.00 177.57 177.48 1umn h PHE 122 N 0.50 0.71 -0.67 1.57 -1.00 -0.24 -1.96 116.94 115.84 1umn h PHE 122 Ca 0.12 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1umn h PHE 122 Cb 0.33 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1umn h PHE 122 CO 0.02 0.76 0.32 0.00 -1.61 0.00 0.00 178.31 177.81 1umn h ARG 123 N 0.59 0.97 -0.07 1.51 3.08 -0.59 0.18 114.38 120.06 1umn h ARG 123 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1umn h ARG 123 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1umn h ARG 123 CO 0.04 0.77 0.04 -0.92 -1.07 0.00 0.00 179.97 178.83 1umn h TYR 124 N 0.94 0.07 -0.64 3.04 3.20 -1.10 -1.64 116.97 120.84 1umn h TYR 124 Ca 0.23 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1umn h TYR 124 Cb 0.12 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1umn h TYR 124 CO 0.00 0.04 0.41 -0.07 -1.64 0.00 0.00 178.16 176.91 1umn h LEU 125 N 0.08 0.70 -1.05 2.82 3.38 -1.03 -0.47 115.31 119.74 1umn h LEU 125 Ca 0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1umn h LEU 125 Cb -0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1umn h LEU 125 CO -0.01 0.50 0.64 0.00 0.09 0.00 0.00 178.44 179.66 1umn h ALA 126 N 1.25 1.37 -0.54 1.53 0.00 -0.73 0.19 119.26 122.34 1umn h ALA 126 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1umn h ALA 126 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1umn h ALA 126 CO -0.07 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.80 1umn h ALA 127 N 1.43 0.72 -0.64 0.00 0.00 -0.70 -0.21 119.26 119.85 1umn h ALA 127 Ca 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1umn h ALA 127 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1umn h ALA 127 CO -0.12 0.47 0.24 1.25 0.00 0.00 0.00 179.25 181.09 1umn h LEU 128 N 0.78 0.90 -1.02 0.00 5.85 -0.28 -0.77 115.31 120.77 1umn h LEU 128 Ca 0.16 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1umn h LEU 128 Cb 0.42 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1umn h LEU 128 CO 0.01 0.85 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.67 1umn h PHE 129 N 0.91 0.71 -0.54 1.25 0.05 -0.34 0.45 116.94 119.43 1umn h PHE 129 Ca 0.21 -0.10 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 1umn h PHE 129 Cb 0.24 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 1umn h PHE 129 CO 0.02 0.69 0.06 0.37 -0.18 0.00 0.00 178.31 179.26 1umn h GLN 130 N 0.63 0.91 -0.66 1.51 5.75 -0.50 0.64 115.11 123.38 1umn h GLN 130 Ca 0.12 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1umn h GLN 130 Cb 0.44 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1umn h GLN 130 CO 0.02 0.90 0.32 0.87 -2.65 0.00 0.00 178.83 178.30 1umn h LYS 131 N 0.80 0.95 -0.33 1.69 1.57 -0.53 -0.68 116.57 120.03 1umn h LYS 131 Ca 0.16 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1umn h LYS 131 Cb 0.45 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1umn h LYS 131 CO 0.02 0.75 -0.09 0.78 -0.57 0.00 0.00 179.45 180.34 1umn h GLY 132 N 0.91 0.59 0.88 3.86 0.00 -0.60 -1.21 103.07 107.50 1umn h GLY 132 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1umn h GLY 132 CO -0.03 0.37 0.07 -2.75 0.00 0.00 0.00 176.54 174.19 1umn h PHE 133 N 0.51 0.43 -0.28 5.60 3.57 -0.24 -1.49 116.94 125.04 1umn h PHE 133 Ca 0.10 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1umn h PHE 133 Cb 0.47 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1umn h PHE 133 CO 0.02 0.49 0.11 -0.44 -2.23 0.00 0.00 178.31 176.26 1umn h ASP 134 N 0.24 0.39 0.04 0.41 3.32 -0.79 -1.22 116.42 118.81 1umn h ASP 134 Ca 0.08 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1umn h ASP 134 Cb 0.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1umn h ASP 134 CO 0.00 0.45 -0.02 0.58 -1.72 0.00 0.00 179.24 178.53 1umn h VAL 135 N 0.31 1.07 -0.98 -1.35 2.07 -1.23 -1.35 116.25 114.79 1umn h VAL 135 Ca 0.09 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1umn h VAL 135 Cb 0.18 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1umn h VAL 135 CO -0.01 0.09 0.65 0.77 0.02 0.00 0.00 177.57 179.09 1umn h SER 136 N -0.21 1.11 -0.61 0.57 4.64 -1.24 -1.23 113.55 116.57 1umn h SER 136 Ca -0.01 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1umn h SER 136 Cb 0.19 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1umn h SER 136 CO 0.01 0.78 0.19 -0.78 -0.87 0.00 0.00 176.83 176.16 1umn h ASP 137 N 1.30 0.89 -0.79 4.97 3.58 -1.05 0.17 116.42 125.49 1umn h ASP 137 Ca 0.37 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1umn h ASP 137 Cb -0.10 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.68 1umn h ASP 137 CO -0.10 0.86 0.34 -0.33 -2.88 0.00 0.00 179.24 177.14 1umn h GLU 138 N 0.88 1.17 0.00 0.28 3.07 -0.57 -1.60 114.58 117.80 1umn h GLU 138 Ca 0.20 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1umn h GLU 138 Cb 0.29 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1umn h GLU 138 CO -0.01 0.93 0.00 0.93 -1.40 0.00 0.00 179.01 179.46 1umn h GLU 139 N 1.15 0.00 0.00 2.33 5.08 -0.83 -3.47 114.58 118.83 1umn h GLU 139 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1umn h GLU 139 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1umn h GLU 139 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1umn n GLY 140 N 0.79 0.43 3.46 -3.84 0.00 0.26 -4.97 105.19 101.32 1umn n GLY 140 Ca 0.04 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.93 6.99 0.35 1.61 -1.08 0.33 -4.85 116.67 117.08 1umn s ASP 141 Ca 0.00 -2.81 0.03 0.00 -0.52 0.00 0.00 52.55 49.25 1umn s ASP 141 Cb 0.00 -2.40 0.65 0.00 -1.46 0.00 0.00 42.92 39.71 1umn s ASP 141 CO 0.00 -0.81 2.00 0.77 0.52 0.00 0.00 175.17 177.64 1umn h SER 142 N 7.47 0.67 -0.02 -0.34 4.64 -1.93 -0.98 113.55 123.06 1umn h SER 142 Ca 0.29 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1umn h SER 142 Cb 0.90 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1umn h SER 142 CO 1.22 0.51 0.01 0.58 -0.87 0.00 0.00 176.83 178.29 1umn h VAL 143 N 0.78 1.13 -0.69 0.95 2.07 -1.97 -1.15 116.25 117.38 1umn h VAL 143 Ca 0.20 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1umn h VAL 143 Cb -0.03 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1umn h VAL 143 CO -0.04 0.10 0.23 0.74 0.02 0.00 0.00 177.57 178.63 1umn h THR 144 N -0.13 1.25 -0.46 2.57 2.02 -1.92 -2.37 112.91 113.85 1umn h THR 144 Ca 0.01 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.41 1umn h THR 144 Cb 0.16 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1umn h THR 144 CO -0.00 0.33 0.19 -1.13 0.37 0.00 0.00 175.52 175.27 1umn h ASN 145 N 1.01 0.22 -0.44 4.18 -0.73 -0.83 -2.06 115.58 116.93 1umn h ASN 145 Ca 0.23 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.38 1umn h ASN 145 Cb 0.26 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1umn h ASN 145 CO -0.01 0.16 0.06 -0.78 -0.37 0.00 0.00 177.43 176.49 1umn h ASP 146 N 0.38 0.77 -0.52 1.15 1.82 -0.90 -1.97 116.42 117.15 1umn h ASP 146 Ca 0.21 -0.17 0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1umn h ASP 146 Cb 0.19 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 1umn h ASP 146 CO -0.20 0.80 0.31 0.40 -1.61 0.00 0.00 179.24 178.95 1umn h ILE 147 N 0.77 1.05 -0.30 2.25 2.04 -0.88 -0.58 117.51 121.86 1umn h ILE 147 Ca 0.16 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 1umn h ILE 147 Cb 0.39 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1umn h ILE 147 CO 0.01 0.11 -0.37 -0.26 0.00 0.00 0.00 178.15 177.64 1umn h PHE 148 N 0.61 0.82 -0.26 1.37 -1.00 -1.21 -2.53 116.94 114.74 1umn h PHE 148 Ca 0.21 -0.23 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1umn h PHE 148 Cb 0.03 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1umn h PHE 148 CO -0.07 0.96 0.09 -0.97 -1.61 0.00 0.00 178.31 176.72 1umn h ASN 149 N 0.58 0.37 -0.63 2.17 -0.00 -1.01 -0.35 115.58 116.71 1umn h ASN 149 Ca 0.05 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.13 1umn h ASN 149 Cb 0.90 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 39.09 1umn h ASN 149 CO 0.08 0.46 0.26 0.58 -0.00 0.00 0.00 177.43 178.80 1umn h VAL 150 N 0.27 1.23 -0.23 2.57 2.07 -1.08 -1.30 116.25 119.78 1umn h VAL 150 Ca 0.09 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 66.73 1umn h VAL 150 Cb 0.21 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1umn h VAL 150 CO -0.00 0.28 -0.50 0.00 0.02 0.00 0.00 177.57 177.37 1umn h ALA 151 N 1.10 0.71 -0.58 1.67 0.00 -1.37 -2.80 119.26 117.98 1umn h ALA 151 Ca 0.21 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1umn h ALA 151 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1umn h ALA 151 CO -0.02 0.68 0.25 -0.22 0.00 0.00 0.00 179.25 179.94 1umn h LYS 152 N 0.49 0.86 -0.16 0.00 3.64 -0.84 -1.72 116.57 118.84 1umn h LYS 152 Ca 0.02 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1umn h LYS 152 Cb 1.04 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1umn h LYS 152 CO 0.10 0.73 -0.00 0.00 -2.27 0.00 0.00 179.45 178.00 1umn h ALA 153 N 1.09 0.14 -0.33 5.00 0.00 -1.09 -0.55 119.26 123.52 1umn h ALA 153 Ca 0.20 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1umn h ALA 153 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1umn h ALA 153 CO -0.02 -0.44 -0.40 0.66 0.00 0.00 0.00 179.25 179.05 1umn h SER 154 N 0.05 0.86 -0.82 0.00 4.64 -1.42 -2.48 113.55 114.38 1umn h SER 154 Ca 0.08 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 1umn h SER 154 Cb 0.09 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 1umn h SER 154 CO -0.13 1.15 0.37 0.40 -0.87 0.00 0.00 176.83 177.75 1umn h ILE 155 N 0.66 1.26 -0.18 0.95 1.08 -1.10 -1.82 117.51 118.36 1umn h ILE 155 Ca 0.05 -0.76 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 1umn h ILE 155 Cb 0.96 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1umn h ILE 155 CO 0.09 0.32 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.27 1umn h GLU 156 N 1.18 0.35 -0.62 2.37 5.08 -1.01 -1.82 114.58 120.10 1umn h GLU 156 Ca 0.28 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1umn h GLU 156 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1umn h GLU 156 CO -0.03 0.60 0.09 -0.22 -1.00 0.00 0.00 179.01 178.45 1umn h LYS 157 N 0.31 1.03 -0.81 2.33 3.64 -0.95 -2.28 116.57 119.83 1umn h LYS 157 Ca 0.05 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1umn h LYS 157 Cb 0.65 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1umn h LYS 157 CO 0.05 0.97 0.43 0.45 -2.27 0.00 0.00 179.45 179.07 1umn h HIS 158 N 0.94 1.13 -0.98 1.91 3.86 -0.92 -2.28 115.15 118.82 1umn h HIS 158 Ca 0.19 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1umn h HIS 158 Cb 0.44 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.50 1umn h HIS 158 CO 0.03 0.80 0.64 0.82 0.86 0.00 0.00 177.93 181.09 1umn h ILE 159 N 1.14 1.22 -0.32 2.45 2.04 -0.87 -0.10 117.51 123.07 1umn h ILE 159 Ca 0.28 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1umn h ILE 159 Cb 0.06 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 1umn h ILE 159 CO -0.04 0.24 0.18 -0.25 0.00 0.00 0.00 178.15 178.27 1umn h TRP 160 N 1.29 0.33 -0.28 1.37 7.01 -0.88 0.19 115.95 124.99 1umn h TRP 160 Ca 0.37 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.35 1umn h TRP 160 Cb -0.10 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 1umn h TRP 160 CO -0.00 0.19 0.05 0.52 -2.79 0.00 0.00 178.44 176.40 1umn h MET 161 N 0.37 0.46 -0.40 2.65 2.86 -1.03 0.12 114.93 119.95 1umn h MET 161 Ca 0.13 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1umn h MET 161 Cb 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1umn h MET 161 CO -0.07 0.57 0.24 -0.07 1.06 0.00 0.00 176.91 178.65 1umn h LEU 162 N 0.28 0.41 -0.92 1.22 3.38 -0.90 -0.91 115.31 117.87 1umn h LEU 162 Ca 0.09 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1umn h LEU 162 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1umn h LEU 162 CO 0.01 0.29 0.17 1.56 0.09 0.00 0.00 178.44 180.56 1umn h GLN 163 N 0.50 0.97 -0.72 1.13 1.08 -0.76 -1.18 115.11 116.12 1umn h GLN 163 Ca 0.15 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1umn h GLN 163 Cb -0.02 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 1umn h GLN 163 CO -0.06 0.85 0.28 0.00 -0.95 0.00 0.00 178.83 178.95 1umn h ALA 164 N 1.25 0.94 -0.88 3.87 0.00 -0.27 0.25 119.26 124.43 1umn h ALA 164 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1umn h ALA 164 Cb 0.30 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1umn h ALA 164 CO -0.00 0.57 0.51 1.49 0.00 0.00 0.00 179.25 181.81 1umn h GLU 165 N 1.04 1.20 0.00 0.00 4.57 -0.64 -0.09 114.58 120.66 1umn h GLU 165 Ca 0.24 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1umn h GLU 165 Cb 0.22 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1umn h GLU 165 CO -0.02 0.86 0.00 1.28 -1.18 0.00 0.00 179.01 179.95 1umn n LEU 166 N -4.35 0.00 -0.93 1.64 4.77 -0.50 -4.88 117.00 112.75 1umn n LEU 166 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1umn n LEU 166 Cb 0.08 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1umn n LEU 166 CO 0.38 0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.94 1umn n GLY 167 N 0.57 0.38 3.47 -0.72 0.00 -0.05 -5.03 105.19 103.81 1umn n GLY 167 Ca 0.14 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.86 1.66 0.63 1.61 -0.21 0.73 -4.99 119.66 115.23 1umn s GLN 168 Ca 0.00 -1.91 -0.10 0.00 0.02 0.00 0.00 55.36 53.37 1umn s GLN 168 Cb 0.00 -1.04 -0.02 0.00 1.00 0.00 0.00 33.01 32.95 1umn s GLN 168 CO 0.00 -0.11 1.02 0.00 -2.12 0.00 0.00 175.29 174.08 1umn s ALA 169 N -3.15 3.08 0.23 6.09 0.00 -1.26 -3.39 121.76 123.37 1umn s ALA 169 Ca 0.34 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 1umn s ALA 169 Cb 0.08 -3.00 0.32 0.00 0.00 0.00 0.00 23.12 20.51 1umn s ALA 169 CO 0.15 -0.78 1.84 -1.35 0.00 0.00 0.00 175.76 175.61 1umn h PRO 170 N -0.35 0.87 -6.35 0.00 0.11 -1.87 -3.46 132.00 120.93 1umn h PRO 170 Ca -0.45 -0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.15 1umn h PRO 170 Cb 1.21 -0.20 0.02 0.00 0.11 0.00 0.00 31.00 32.14 1umn h PRO 170 CO 0.62 0.57 -0.90 1.63 -0.21 0.00 0.00 178.00 179.71 1umn n LYS 171 N -4.67 -2.62 0.00 1.05 5.02 -1.26 -4.87 118.16 110.81 1umn n LYS 171 Ca 0.12 0.44 0.05 0.00 -2.02 0.00 0.00 58.31 56.90 1umn n LYS 171 Cb 0.18 -4.41 0.31 0.00 -0.02 0.00 0.00 35.03 31.10 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16