#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uos n PRO 3 N 0.57 -0.80 -1.85 0.00 -0.02 -1.26 -4.83 135.00 126.81 1uos n PRO 3 Ca -0.17 -0.20 -0.39 0.00 -2.02 0.00 0.00 63.50 60.72 1uos n PRO 3 Cb 0.59 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1uos n PRO 3 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1uos s SER 4 N -1.92 5.53 0.00 2.55 0.01 -1.26 -2.09 113.70 116.51 1uos s SER 4 Ca 0.56 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.56 1uos s SER 4 Cb -0.17 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1uos s SER 4 CO 0.67 -1.39 0.00 0.47 0.41 0.00 0.00 173.24 173.40 1uos n ASP 5 N -0.76 0.00 -4.90 2.44 8.00 -1.26 -5.00 116.55 115.07 1uos n ASP 5 Ca 0.09 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.26 1uos n ASP 5 Cb 0.45 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1uos n ASP 5 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1uos s TRP 6 N -2.90 3.53 -0.05 1.24 0.52 -0.89 -4.83 118.94 115.55 1uos s TRP 6 Ca 0.00 0.52 -0.03 0.00 0.02 0.00 0.00 56.10 56.61 1uos s TRP 6 Cb 0.00 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1uos s TRP 6 CO 0.00 0.53 0.09 0.71 0.02 0.00 0.00 176.95 178.30 1uos s TYR 7 N -1.48 3.36 -0.26 -1.98 1.51 0.24 -4.84 117.35 113.90 1uos s TYR 7 Ca 0.34 0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 56.64 1uos s TYR 7 Cb -0.13 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1uos s TYR 7 CO 0.22 0.59 0.07 -0.47 -1.11 0.00 0.00 175.55 174.84 1uos s TYR 8 N -1.09 3.09 -0.02 2.71 5.04 -1.26 -0.93 117.35 124.88 1uos s TYR 8 Ca 0.19 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.29 1uos s TYR 8 Cb -0.12 -2.24 -0.00 0.00 0.35 0.00 0.00 41.96 39.95 1uos s TYR 8 CO 0.09 -0.41 -0.10 -0.47 -1.34 0.00 0.00 175.55 173.31 1uos s TYR 9 N 1.59 0.99 0.00 4.97 6.14 -0.61 -5.01 117.35 125.42 1uos s TYR 9 Ca 0.06 -0.22 0.00 0.00 0.64 0.00 0.00 57.07 57.54 1uos s TYR 9 Cb -0.15 -0.67 0.00 0.00 0.42 0.00 0.00 41.96 41.55 1uos s TYR 9 CO 0.03 -0.06 0.00 -3.47 0.64 0.00 0.00 175.55 172.69 1uos n ASP 10 N 3.06 0.00 -0.02 4.32 -0.08 -1.26 -1.14 116.55 121.44 1uos n ASP 10 Ca -0.16 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.15 1uos n ASP 10 Cb 0.55 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.05 1uos n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uos n GLN 11 N 0.00 2.53 -4.46 -0.67 6.02 -1.26 -5.06 117.38 114.48 1uos n GLN 11 Ca 0.00 -1.77 -0.22 0.00 -0.01 0.00 0.00 57.00 55.00 1uos n GLN 11 Cb 0.00 -1.12 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 1uos n GLN 11 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1uos s HIS 12 N -1.47 2.02 -0.09 1.08 3.76 -0.29 -4.13 115.29 116.17 1uos s HIS 12 Ca 0.08 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 1uos s HIS 12 Cb 0.07 -1.31 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1uos s HIS 12 CO 0.01 0.10 -0.13 0.00 -0.85 0.00 0.00 174.74 173.87 1uos s TYR 14 N -0.25 1.81 -0.28 0.00 2.02 -0.11 -1.73 117.35 118.80 1uos s TYR 14 Ca 0.02 -0.52 -0.20 0.00 -0.37 0.00 0.00 57.07 55.99 1uos s TYR 14 Cb -0.13 -0.84 0.13 0.00 -0.40 0.00 0.00 41.96 40.72 1uos s TYR 14 CO 0.03 0.41 0.97 0.50 -1.57 0.00 0.00 175.55 175.89 1uos s ARG 15 N -3.52 0.47 -0.17 -0.62 3.52 -0.96 -0.60 118.95 117.08 1uos s ARG 15 Ca 0.23 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.40 1uos s ARG 15 Cb -0.02 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1uos s ARG 15 CO 0.08 -0.08 0.18 -1.50 -0.81 0.00 0.00 175.30 173.17 1uos s ILE 16 N 0.84 5.39 -0.20 4.11 2.07 -1.26 -0.51 121.20 131.64 1uos s ILE 16 Ca -0.03 0.29 -0.07 0.00 -1.41 0.00 0.00 60.65 59.44 1uos s ILE 16 Cb -0.04 -3.50 -0.03 0.00 0.13 0.00 0.00 42.46 39.01 1uos s ILE 16 CO -0.11 0.46 0.04 -0.36 -1.91 0.00 0.00 174.94 173.06 1uos s PHE 17 N 0.12 3.14 -0.20 3.50 0.40 0.64 -4.97 117.98 120.59 1uos s PHE 17 Ca 0.12 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1uos s PHE 17 Cb -0.12 -2.11 0.09 0.00 0.51 0.00 0.00 43.02 41.39 1uos s PHE 17 CO 0.01 -0.09 2.23 0.09 0.70 0.00 0.00 175.22 178.17 1uos n ASN 18 N 4.07 6.01 -4.41 1.36 4.13 -1.26 -2.58 115.26 122.59 1uos n ASN 18 Ca -0.17 -2.82 -0.35 0.00 1.68 0.00 0.00 54.58 52.93 1uos n ASN 18 Cb 0.52 -1.13 -0.13 0.00 -1.54 0.00 0.00 39.78 37.50 1uos n ASN 18 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1uos s GLU 19 N -0.99 3.54 -0.07 3.52 2.02 -1.26 -4.92 118.70 120.54 1uos s GLU 19 Ca 0.27 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.40 1uos s GLU 19 Cb 0.19 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1uos s GLU 19 CO -0.03 -0.00 1.44 -1.21 0.02 0.00 0.00 175.26 175.48 1uos s GLU 20 N 1.00 4.23 0.08 1.61 2.02 -1.26 -4.04 118.70 122.35 1uos s GLU 20 Ca 0.01 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.83 1uos s GLU 20 Cb -0.14 -3.77 0.01 0.00 0.10 0.00 0.00 34.13 30.33 1uos s GLU 20 CO 0.01 -0.70 0.25 -1.64 0.02 0.00 0.00 175.26 173.20 1uos s MET 21 N 3.28 0.85 0.61 1.61 -1.94 -0.66 -4.67 119.30 118.39 1uos s MET 21 Ca 0.64 -0.76 -0.09 0.00 -1.71 0.00 0.00 55.69 53.77 1uos s MET 21 Cb -0.29 0.36 -0.01 0.00 2.01 0.00 0.00 34.83 36.90 1uos s MET 21 CO 0.24 -0.28 0.97 0.54 -0.01 0.00 0.00 175.02 176.48 1uos s ASN 22 N -2.56 5.89 0.20 3.03 6.03 -1.23 -1.47 114.94 124.84 1uos s ASN 22 Ca 0.01 1.10 -0.19 0.00 -1.03 0.00 0.00 52.86 52.74 1uos s ASN 22 Cb 0.02 -2.12 0.17 0.00 -3.03 0.00 0.00 41.25 36.29 1uos s ASN 22 CO -0.08 -0.98 1.57 -0.25 -2.03 0.00 0.00 177.10 175.33 1uos h TRP 23 N -0.27 -0.97 -0.15 1.54 7.01 -1.72 0.11 115.95 121.49 1uos h TRP 23 Ca -0.45 0.08 0.02 0.00 2.11 0.00 0.00 58.89 60.65 1uos h TRP 23 Cb 1.22 0.53 -0.02 0.00 -2.10 0.00 0.00 29.16 28.80 1uos h TRP 23 CO 0.56 -0.39 0.02 0.93 -2.79 0.00 0.00 178.44 176.78 1uos h GLU 24 N -0.10 0.08 -0.32 2.65 5.08 -1.94 0.07 114.58 120.10 1uos h GLU 24 Ca 0.28 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1uos h GLU 24 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1uos h GLU 24 CO -0.79 0.05 -0.12 -0.44 -1.00 0.00 0.00 179.01 176.72 1uos h ASP 25 N 0.08 0.54 -0.17 1.42 3.32 -1.76 -0.40 116.42 119.45 1uos h ASP 25 Ca 0.07 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1uos h ASP 25 Cb 0.06 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1uos h ASP 25 CO -0.09 0.69 0.06 0.00 -1.72 0.00 0.00 179.24 178.17 1uos h ALA 26 N 1.37 0.22 -0.66 3.45 0.00 -0.28 0.92 119.26 124.27 1uos h ALA 26 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uos h ALA 26 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1uos h ALA 26 CO 0.03 -0.16 0.39 1.49 0.00 0.00 0.00 179.25 180.99 1uos h GLU 27 N 0.11 0.90 -0.24 0.00 4.57 -0.69 0.94 114.58 120.17 1uos h GLU 27 Ca 0.06 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1uos h GLU 27 Cb 0.21 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1uos h GLU 27 CO -0.00 0.65 0.12 2.35 -1.18 0.00 0.00 179.01 180.95 1uos h TRP 28 N 0.90 0.35 -0.08 0.92 7.01 -0.92 -1.84 115.95 122.29 1uos h TRP 28 Ca 0.24 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1uos h TRP 28 Cb -0.01 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 1uos h TRP 28 CO -0.01 0.34 -0.26 0.35 -2.79 0.00 0.00 178.44 176.07 1uos h PHE 29 N 0.26 -0.69 -0.54 2.65 3.04 -0.21 -2.12 116.94 119.33 1uos h PHE 29 Ca 0.08 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.16 1uos h PHE 29 Cb 0.12 0.32 -0.08 0.00 2.56 0.00 0.00 35.95 38.87 1uos h PHE 29 CO -0.02 -0.34 0.10 0.00 -2.02 0.00 0.00 178.31 176.03 1uos h THR 31 N 0.24 0.55 0.00 0.00 1.35 -0.67 -0.98 112.91 113.39 1uos h THR 31 Ca 0.28 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.06 1uos h THR 31 Cb 0.39 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1uos h THR 31 CO -0.37 0.00 -0.36 0.11 -0.25 0.00 0.00 175.52 174.65 1uos h LYS 32 N 0.00 0.00 -0.59 4.72 1.57 -0.76 -3.28 116.57 118.23 1uos h LYS 32 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1uos h LYS 32 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1uos h LYS 32 CO -0.00 0.36 0.12 1.96 -0.57 0.00 0.00 179.45 181.32 1uos h GLN 33 N 0.00 0.93 -2.17 3.15 1.08 -1.01 -3.47 115.11 113.62 1uos h GLN 33 Ca -0.00 -0.21 0.20 0.00 -1.45 0.00 0.00 58.65 57.19 1uos h GLN 33 Cb 1.13 -0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 28.34 1uos h GLN 33 CO 0.05 0.85 0.55 0.00 -0.95 0.00 0.00 178.83 179.33 1uos s ALA 34 N -5.19 -1.77 0.25 3.87 0.00 -1.24 -5.08 121.76 112.60 1uos s ALA 34 Ca -0.10 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1uos s ALA 34 Cb 0.15 0.58 -0.10 0.00 0.00 0.00 0.00 23.12 23.74 1uos s ALA 34 CO 0.82 -1.03 1.50 0.15 0.00 0.00 0.00 175.76 177.20 1uos s LYS 35 N -3.12 4.22 0.00 0.00 1.02 -1.26 -2.37 119.74 118.23 1uos s LYS 35 Ca 0.12 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.50 1uos s LYS 35 Cb -0.00 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1uos s LYS 35 CO 0.01 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1uos n GLY 36 N 2.41 0.30 3.78 -3.33 0.00 -1.26 -4.52 105.19 102.56 1uos n GLY 36 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1uos n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uos s ALA 37 N -1.75 3.12 0.32 4.61 0.00 -1.00 -4.63 121.76 122.43 1uos s ALA 37 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1uos s ALA 37 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1uos s ALA 37 CO 0.00 -0.29 0.59 -1.01 0.00 0.00 0.00 175.76 175.05 1uos s HIS 38 N -1.55 0.47 0.49 0.00 3.76 -0.38 -3.69 115.29 114.39 1uos s HIS 38 Ca 0.56 -0.88 -0.23 0.00 -0.15 0.00 0.00 55.06 54.36 1uos s HIS 38 Cb -0.25 0.33 -0.07 0.00 1.11 0.00 0.00 32.58 33.70 1uos s HIS 38 CO 0.31 -1.22 1.35 -0.51 -0.85 0.00 0.00 174.74 173.82 1uos s LEU 39 N -3.09 3.99 0.51 0.89 1.02 -1.26 -0.73 118.68 120.00 1uos s LEU 39 Ca 0.22 2.74 -0.21 0.00 0.02 0.00 0.00 54.13 56.90 1uos s LEU 39 Cb -0.02 -4.13 -0.09 0.00 0.02 0.00 0.00 46.19 41.97 1uos s LEU 39 CO 0.13 -1.29 0.75 0.55 0.02 0.00 0.00 176.35 176.51 1uos n VAL 40 N -0.59 2.52 -4.77 -1.59 3.14 0.19 -4.20 118.33 113.03 1uos n VAL 40 Ca 0.08 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.71 1uos n VAL 40 Cb 0.44 -0.88 -0.16 0.00 -1.06 0.00 0.00 33.84 32.19 1uos n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1uos s SER 41 N -1.03 2.00 -0.32 6.55 1.04 -1.26 -0.42 113.70 120.26 1uos s SER 41 Ca 0.68 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.69 1uos s SER 41 Cb -0.50 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1uos s SER 41 CO 0.54 0.16 0.15 -0.63 0.98 0.00 0.00 173.24 174.44 1uos s ILE 42 N -0.07 4.50 -0.63 -1.02 1.09 -1.26 -4.96 121.20 118.84 1uos s ILE 42 Ca -0.01 -0.57 0.10 0.00 -1.10 0.00 0.00 60.65 59.07 1uos s ILE 42 Cb -0.10 -3.35 0.30 0.00 -1.06 0.00 0.00 42.46 38.25 1uos s ILE 42 CO 0.01 -0.01 1.24 0.29 -0.10 0.00 0.00 174.94 176.37 1uos n LYS 43 N 4.97 2.85 -3.59 2.79 5.02 -1.26 -5.00 118.16 123.94 1uos n LYS 43 Ca -0.13 -2.12 -0.07 0.00 -2.02 0.00 0.00 58.31 53.97 1uos n LYS 43 Cb 0.48 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 1uos n LYS 43 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1uos s SER 44 N -1.22 -0.23 0.36 4.39 1.04 -1.26 -5.00 113.70 111.78 1uos s SER 44 Ca 0.23 0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1uos s SER 44 Cb 0.14 0.20 0.75 0.00 0.10 0.00 0.00 66.02 67.22 1uos s SER 44 CO 0.12 -0.28 1.95 0.00 0.98 0.00 0.00 173.24 176.01 1uos h ALA 45 N 2.21 1.72 -0.34 5.32 0.00 -1.98 0.34 119.26 126.54 1uos h ALA 45 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uos h ALA 45 Cb 1.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1uos h ALA 45 CO 0.27 0.15 0.15 0.87 0.00 0.00 0.00 179.25 180.69 1uos h LYS 46 N 0.75 0.49 -0.35 0.00 1.57 -1.99 0.17 116.57 117.21 1uos h LYS 46 Ca 0.33 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1uos h LYS 46 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1uos h LYS 46 CO -0.12 0.46 -0.17 1.49 -0.57 0.00 0.00 179.45 180.54 1uos h GLU 47 N 0.41 0.65 -0.35 3.15 4.81 -1.62 -1.81 114.58 119.82 1uos h GLU 47 Ca 0.12 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1uos h GLU 47 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1uos h GLU 47 CO -0.01 0.79 0.22 0.00 -0.73 0.00 0.00 179.01 179.27 1uos h ALA 48 N 1.23 0.45 -0.41 2.92 0.00 0.20 0.08 119.26 123.72 1uos h ALA 48 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1uos h ALA 48 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1uos h ALA 48 CO 0.04 -0.07 0.23 0.22 0.00 0.00 0.00 179.25 179.67 1uos h ASP 49 N 0.46 0.51 0.07 0.00 3.58 -0.38 -0.37 116.42 120.29 1uos h ASP 49 Ca 0.13 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1uos h ASP 49 Cb -0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1uos h ASP 49 CO -0.02 0.45 -0.04 0.15 -2.88 0.00 0.00 179.24 176.90 1uos h PHE 50 N 0.53 -0.09 -0.91 0.28 3.57 -1.02 0.11 116.94 119.42 1uos h PHE 50 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1uos h PHE 50 Cb 0.05 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1uos h PHE 50 CO -0.02 -0.01 0.57 -0.24 -2.23 0.00 0.00 178.31 176.38 1uos h VAL 51 N -0.15 1.24 -0.16 1.41 3.04 -0.87 0.12 116.25 120.87 1uos h VAL 51 Ca -0.01 -0.48 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1uos h VAL 51 Cb 0.13 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 1uos h VAL 51 CO 0.02 0.24 0.08 0.00 -1.01 0.00 0.00 177.57 176.90 1uos h ALA 52 N 1.39 0.21 -0.51 3.17 0.00 -0.79 -0.89 119.26 121.84 1uos h ALA 52 Ca 0.33 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1uos h ALA 52 Cb -0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1uos h ALA 52 CO -0.07 -0.24 0.21 2.35 0.00 0.00 0.00 179.25 181.50 1uos h TRP 53 N 0.14 0.37 -0.41 0.00 7.01 -0.13 -1.63 115.95 121.30 1uos h TRP 53 Ca 0.06 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1uos h TRP 53 Cb 0.10 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1uos h TRP 53 CO -0.03 0.13 0.13 1.98 -2.79 0.00 0.00 178.44 177.86 1uos h MET 54 N 0.40 0.63 -0.07 2.65 4.05 -0.52 -2.39 114.93 119.67 1uos h MET 54 Ca 0.24 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1uos h MET 54 Cb 0.24 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1uos h MET 54 CO -0.23 0.62 -0.04 0.28 0.23 0.00 0.00 176.91 177.77 1uos h VAL 55 N 0.51 0.87 -0.91 -5.77 2.07 -0.82 -2.19 116.25 110.02 1uos h VAL 55 Ca 0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.82 1uos h VAL 55 Cb 0.25 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1uos h VAL 55 CO -0.01 0.00 0.49 0.74 0.02 0.00 0.00 177.57 178.82 1uos h THR 56 N -0.04 0.71 0.00 2.57 2.02 -1.14 0.12 112.91 117.15 1uos h THR 56 Ca 0.04 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1uos h THR 56 Cb 0.10 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1uos h THR 56 CO -0.10 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1uos n GLN 57 N -4.84 0.19 0.00 6.66 3.00 -0.87 -4.29 117.38 117.23 1uos n GLN 57 Ca 0.19 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1uos n GLN 57 Cb 0.49 -1.75 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1uos n GLN 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1uos n ASN 58 N -2.09 0.22 -4.79 1.08 4.13 -0.42 -5.07 115.26 108.32 1uos n ASN 58 Ca 0.05 -0.56 -0.35 0.00 1.68 0.00 0.00 54.58 55.40 1uos n ASN 58 Cb 0.37 0.31 -0.04 0.00 -1.54 0.00 0.00 39.78 38.89 1uos n ASN 58 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1uos s ILE 59 N -0.31 3.78 0.29 2.41 2.07 -0.10 -4.93 121.20 124.41 1uos s ILE 59 Ca 0.00 1.20 -0.29 0.00 -1.41 0.00 0.00 60.65 60.15 1uos s ILE 59 Cb 0.00 -3.53 -0.10 0.00 0.13 0.00 0.00 42.46 38.96 1uos s ILE 59 CO 0.00 -0.16 1.27 -1.61 -1.91 0.00 0.00 174.94 172.53 1uos s GLU 60 N -2.97 4.42 0.51 3.50 0.41 -1.26 -4.92 118.70 118.38 1uos s GLU 60 Ca 0.64 2.10 0.19 0.00 -0.41 0.00 0.00 54.97 57.50 1uos s GLU 60 Cb -0.18 -3.12 1.29 0.00 -1.78 0.00 0.00 34.13 30.34 1uos s GLU 60 CO 0.22 -0.13 2.07 1.05 -0.49 0.00 0.00 175.26 177.98 1uos h GLU 61 N 3.95 0.05 -0.40 1.61 4.11 -1.99 -2.12 114.58 119.79 1uos h GLU 61 Ca -0.47 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 1uos h GLU 61 Cb 1.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1uos h GLU 61 CO 0.69 0.03 0.03 0.66 0.07 0.00 0.00 179.01 180.49 1uos h SER 62 N 0.05 0.66 -4.07 3.06 4.64 -2.04 -3.44 113.55 112.42 1uos h SER 62 Ca 0.13 -0.29 -0.47 0.00 -0.47 0.00 0.00 61.79 60.69 1uos h SER 62 Cb 0.46 -0.18 0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1uos h SER 62 CO -0.01 0.79 0.39 -0.36 -0.87 0.00 0.00 176.83 176.77 1uos s PHE 63 N -5.08 2.98 0.00 4.77 2.99 -0.80 -4.98 117.98 117.88 1uos s PHE 63 Ca -0.13 1.58 0.00 0.00 0.00 0.00 0.00 56.93 58.38 1uos s PHE 63 Cb 0.10 -3.09 0.00 0.00 0.00 0.00 0.00 43.02 40.03 1uos s PHE 63 CO 0.79 -0.88 0.00 0.45 -0.00 0.00 0.00 175.22 175.57 1uos n SER 64 N -0.94 0.47 -4.36 1.36 2.88 -1.26 -4.75 113.62 107.03 1uos n SER 64 Ca 0.09 -0.06 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 1uos n SER 64 Cb 0.52 0.21 -0.14 0.00 -0.75 0.00 0.00 64.21 64.04 1uos n SER 64 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1uos s HIS 65 N -0.30 2.35 -0.02 0.66 3.76 -1.26 -1.45 115.29 119.03 1uos s HIS 65 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 1uos s HIS 65 Cb 0.00 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.30 1uos s HIS 65 CO 0.00 0.14 -0.03 0.54 -0.85 0.00 0.00 174.74 174.54 1uos s VAL 66 N -0.81 0.30 0.43 -0.90 0.11 -0.03 -3.61 120.40 115.88 1uos s VAL 66 Ca 0.12 -0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 1uos s VAL 66 Cb -0.10 -0.32 -0.09 0.00 -1.53 0.00 0.00 36.38 34.34 1uos s VAL 66 CO 0.02 0.13 1.02 -0.44 -3.33 0.00 0.00 175.10 172.50 1uos s SER 67 N 0.47 6.68 0.18 3.54 0.01 -0.35 0.14 113.70 124.36 1uos s SER 67 Ca -0.05 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.16 1uos s SER 67 Cb -0.08 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1uos s SER 67 CO -0.01 -0.55 -0.02 0.27 0.41 0.00 0.00 173.24 173.34 1uos s ILE 68 N -1.87 0.88 -2.00 1.44 -4.36 -1.16 -3.35 121.20 110.78 1uos s ILE 68 Ca 0.62 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1uos s ILE 68 Cb -0.17 -2.12 0.21 0.00 1.25 0.00 0.00 42.46 41.63 1uos s ILE 68 CO 0.22 -0.50 0.85 0.61 0.24 0.00 0.00 174.94 176.36 1uos n GLY 69 N -0.28 -0.39 3.69 6.27 0.00 0.44 -4.53 105.19 110.40 1uos n GLY 69 Ca -0.07 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1uos n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uos s LEU 70 N -1.58 4.28 -0.02 0.99 1.43 -1.26 -5.01 118.68 117.51 1uos s LEU 70 Ca 0.11 1.53 -0.07 0.00 -1.03 0.00 0.00 54.13 54.67 1uos s LEU 70 Cb 0.05 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1uos s LEU 70 CO 0.08 -0.38 0.16 -0.60 0.23 0.00 0.00 176.35 175.84 1uos s ARG 71 N 1.70 0.42 0.07 1.70 3.52 -1.26 -2.95 118.95 122.15 1uos s ARG 71 Ca 0.48 -0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.57 1uos s ARG 71 Cb -0.19 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.31 1uos s ARG 71 CO 0.20 -0.09 1.33 0.08 -0.81 0.00 0.00 175.30 176.01 1uos s VAL 72 N -0.96 3.63 -0.08 7.11 1.01 -0.21 -4.94 120.40 125.96 1uos s VAL 72 Ca -0.10 1.15 0.14 0.00 0.00 0.00 0.00 61.98 63.16 1uos s VAL 72 Cb -0.06 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 1uos s VAL 72 CO 0.01 0.07 0.94 1.56 0.00 0.00 0.00 175.10 177.68 1uos h GLN 73 N 7.01 0.00 -6.40 2.72 1.08 -2.01 -3.47 115.11 114.04 1uos h GLN 73 Ca -0.41 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.18 1uos h GLN 73 Cb 1.20 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.76 1uos h GLN 73 CO 0.85 0.46 -0.10 0.09 -0.95 0.00 0.00 178.83 179.19 1uos n ASN 74 N -3.04 0.37 0.03 1.46 4.13 -1.26 -4.93 115.26 112.02 1uos n ASN 74 Ca -0.08 1.08 -0.04 0.00 1.68 0.00 0.00 54.58 57.22 1uos n ASN 74 Cb 0.89 -1.21 -0.10 0.00 -1.54 0.00 0.00 39.78 37.83 1uos n ASN 74 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1uos h LYS 75 N 1.47 0.00 -7.27 3.52 1.57 -1.95 -3.48 116.57 110.43 1uos h LYS 75 Ca -0.39 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.90 1uos h LYS 75 Cb 1.37 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.86 1uos h LYS 75 CO 0.57 0.45 0.20 -1.21 -0.57 0.00 0.00 179.45 178.89 1uos s GLU 76 N -2.79 0.82 0.26 3.15 8.01 -1.26 -4.95 118.70 121.93 1uos s GLU 76 Ca -0.03 1.13 -0.05 0.00 0.01 0.00 0.00 54.97 56.03 1uos s GLU 76 Cb 0.08 -1.73 0.31 0.00 -4.31 0.00 0.00 34.13 28.48 1uos s GLU 76 CO 0.81 -2.63 1.92 0.87 0.01 0.00 0.00 175.26 176.24 1uos h LYS 77 N -1.85 1.27 -4.46 1.61 1.57 -1.96 -3.44 116.57 109.32 1uos h LYS 77 Ca -0.49 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.01 1uos h LYS 77 Cb 1.28 -0.29 -0.15 0.00 0.08 0.00 0.00 32.23 33.16 1uos h LYS 77 CO 0.49 0.84 -0.61 1.14 -0.57 0.00 0.00 179.45 180.74 1uos s GLN 78 N -6.09 1.08 0.00 3.15 1.03 -1.26 -4.83 119.66 112.73 1uos s GLN 78 Ca -0.13 -1.51 0.20 0.00 0.04 0.00 0.00 55.36 53.97 1uos s GLN 78 Cb 0.19 0.27 0.54 0.00 0.03 0.00 0.00 33.01 34.03 1uos s GLN 78 CO 0.82 -0.34 1.45 0.00 -2.54 0.00 0.00 175.29 174.69 1uos s SER 80 N -1.16 6.73 0.09 0.00 0.15 -1.26 -4.90 113.70 113.35 1uos s SER 80 Ca 0.40 0.73 0.24 0.00 0.70 0.00 0.00 55.95 58.02 1uos s SER 80 Cb 0.22 -2.45 0.25 0.00 -1.71 0.00 0.00 66.02 62.33 1uos s SER 80 CO 0.29 -0.72 1.23 0.35 1.20 0.00 0.00 173.24 175.58 1uos n THR 81 N 5.69 0.27 -4.22 6.45 -2.24 -1.26 -4.74 114.28 114.24 1uos n THR 81 Ca 0.06 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 1uos n THR 81 Cb 0.48 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 1uos n THR 81 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uos s LYS 82 N -3.17 0.80 0.71 -0.78 1.02 -1.26 -0.80 119.74 116.25 1uos s LYS 82 Ca 0.06 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.14 1uos s LYS 82 Cb 0.14 -0.77 0.05 0.00 -0.52 0.00 0.00 37.83 36.74 1uos s LYS 82 CO 0.75 0.18 1.03 -1.58 -0.92 0.00 0.00 175.35 174.81 1uos s TRP 83 N -1.09 2.98 0.41 3.18 0.52 -0.29 -4.87 118.94 119.78 1uos s TRP 83 Ca -0.02 0.55 0.39 0.00 0.02 0.00 0.00 56.10 57.04 1uos s TRP 83 Cb -0.09 -3.18 2.04 0.00 -1.15 0.00 0.00 33.47 31.08 1uos s TRP 83 CO 0.02 -1.39 2.19 0.66 0.02 0.00 0.00 176.95 178.45 1uos h SER 84 N -0.63 0.00 -0.29 2.95 4.64 -2.02 -0.83 113.55 117.38 1uos h SER 84 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1uos h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1uos h SER 84 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1uos n ASP 85 N -2.93 1.96 0.00 4.97 5.68 -1.26 -4.93 116.55 120.03 1uos n ASP 85 Ca -0.02 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1uos n ASP 85 Cb 0.11 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1uos n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uos n GLY 86 N 1.14 2.85 3.78 6.12 0.00 -0.32 -5.04 105.19 113.72 1uos n GLY 86 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1uos n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uos s SER 87 N -1.45 4.85 0.49 1.61 1.04 -1.26 -4.74 113.70 114.23 1uos s SER 87 Ca 0.00 1.82 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 1uos s SER 87 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.52 1uos s SER 87 CO 0.00 -1.80 0.92 -0.94 0.98 0.00 0.00 173.24 172.40 1uos s SER 88 N -3.26 6.58 -1.14 7.02 1.04 -1.26 -1.14 113.70 121.53 1uos s SER 88 Ca 0.62 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.35 1uos s SER 88 Cb -0.17 -2.45 0.20 0.00 0.10 0.00 0.00 66.02 63.70 1uos s SER 88 CO 0.52 -0.54 1.29 -0.69 0.98 0.00 0.00 173.24 174.79 1uos s VAL 89 N -2.57 5.32 -0.85 5.02 1.01 0.02 -4.72 120.40 123.63 1uos s VAL 89 Ca 0.56 -2.78 0.22 0.00 0.00 0.00 0.00 61.98 59.98 1uos s VAL 89 Cb -0.10 -4.79 -0.20 0.00 0.00 0.00 0.00 36.38 31.29 1uos s VAL 89 CO 0.32 -1.46 0.94 -1.54 0.00 0.00 0.00 175.10 173.36 1uos n SER 90 N 4.78 0.78 -4.09 3.32 3.41 -1.26 -4.84 113.62 115.72 1uos n SER 90 Ca 0.31 -0.70 -0.28 0.00 -0.26 0.00 0.00 58.87 57.94 1uos n SER 90 Cb 0.42 0.98 -0.17 0.00 -0.26 0.00 0.00 64.21 65.18 1uos n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1uos s TYR 91 N -3.08 1.94 -0.14 7.33 6.14 -1.26 -5.12 117.35 123.17 1uos s TYR 91 Ca 0.06 -0.82 -0.04 0.00 0.64 0.00 0.00 57.07 56.91 1uos s TYR 91 Cb 0.16 -1.37 0.07 0.00 0.42 0.00 0.00 41.96 41.23 1uos s TYR 91 CO 0.84 -0.39 0.20 0.34 0.64 0.00 0.00 175.55 177.18 1uos s ASP 92 N 0.71 0.95 -0.34 4.32 3.68 -1.26 -5.02 116.67 119.72 1uos s ASP 92 Ca -0.12 0.16 0.08 0.00 2.13 0.00 0.00 52.55 54.79 1uos s ASP 92 Cb -0.16 0.38 0.57 0.00 -1.45 0.00 0.00 42.92 42.26 1uos s ASP 92 CO 0.03 -0.28 1.63 0.59 0.13 0.00 0.00 175.17 177.27 1uos n ASN 93 N 5.33 3.08 -4.77 -0.34 5.03 -1.26 -5.03 115.26 117.31 1uos n ASN 93 Ca -0.05 -3.65 -0.41 0.00 0.87 0.00 0.00 54.58 51.33 1uos n ASN 93 Cb 0.50 -0.70 -0.01 0.00 -1.02 0.00 0.00 39.78 38.54 1uos n ASN 93 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1uos s LEU 94 N -3.23 4.36 0.27 3.41 2.96 -1.26 -4.96 118.68 120.23 1uos s LEU 94 Ca 0.49 2.90 -0.30 0.00 -0.22 0.00 0.00 54.13 57.00 1uos s LEU 94 Cb 0.43 -3.65 -0.09 0.00 0.50 0.00 0.00 46.19 43.37 1uos s LEU 94 CO 0.04 -0.77 1.08 -0.76 -1.32 0.00 0.00 176.35 174.62 1uos s LEU 95 N -1.60 4.56 0.28 -0.68 1.43 -1.26 -4.94 118.68 116.47 1uos s LEU 95 Ca 0.54 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.86 1uos s LEU 95 Cb -0.44 -3.62 0.62 0.00 0.03 0.00 0.00 46.19 42.77 1uos s LEU 95 CO 0.56 -0.11 1.74 0.44 0.23 0.00 0.00 176.35 179.21 1uos h ASP 96 N 3.96 0.47 -0.23 2.29 5.19 -1.96 0.42 116.42 126.56 1uos h ASP 96 Ca -0.46 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.13 1uos h ASP 96 Cb 1.21 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1uos h ASP 96 CO 0.67 0.14 0.40 0.25 -3.12 0.00 0.00 179.24 177.59 1uos h LEU 97 N 0.55 0.00 -2.85 1.55 7.12 -2.03 -0.11 115.31 119.54 1uos h LEU 97 Ca 0.50 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.51 1uos h LEU 97 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1uos h LEU 97 CO -0.42 0.00 0.00 -1.22 -0.13 0.00 0.00 178.44 176.67 1uos n TYR 98 N -3.35 0.60 -3.08 1.25 4.01 0.15 -4.86 117.16 111.87 1uos n TYR 98 Ca 0.03 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 56.84 1uos n TYR 98 Cb 0.52 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 1uos n TYR 98 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1uos s ILE 99 N -1.00 4.77 -0.75 -0.72 1.01 -0.06 -4.96 121.20 119.49 1uos s ILE 99 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1uos s ILE 99 Cb 0.16 -4.33 0.19 0.00 0.01 0.00 0.00 42.46 38.48 1uos s ILE 99 CO 0.21 -0.84 0.59 0.42 0.00 0.00 0.00 174.94 175.32 1uos s THR 100 N 2.93 3.86 -2.66 2.92 -4.23 -1.26 -4.37 115.64 112.83 1uos s THR 100 Ca 0.19 -3.54 0.24 0.00 -1.18 0.00 0.00 61.69 57.40 1uos s THR 100 Cb -0.17 -3.46 0.35 0.00 1.34 0.00 0.00 72.50 70.56 1uos s THR 100 CO 0.14 -0.98 1.40 0.29 -0.54 0.00 0.00 174.62 174.93 1uos n LYS 101 N 2.77 2.28 -4.03 3.99 5.02 -1.13 -4.25 118.16 122.81 1uos n LYS 101 Ca 0.15 -1.89 -0.26 0.00 -2.02 0.00 0.00 58.31 54.29 1uos n LYS 101 Cb 0.37 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1uos n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uos s SER 103 N -3.63 0.38 0.34 0.00 1.04 -1.15 0.18 113.70 110.87 1uos s SER 103 Ca 0.11 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.23 1uos s SER 103 Cb -0.01 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1uos s SER 103 CO 0.07 -0.68 0.77 -1.48 0.98 0.00 0.00 173.24 172.90 1uos s LEU 104 N -3.00 -0.09 0.11 2.42 0.05 -0.40 -3.01 118.68 114.76 1uos s LEU 104 Ca 0.18 -0.93 0.11 0.00 0.05 0.00 0.00 54.13 53.53 1uos s LEU 104 Cb 0.08 2.78 -0.04 0.00 -2.05 0.00 0.00 46.19 46.96 1uos s LEU 104 CO -0.02 -1.54 -0.26 -0.76 -0.55 0.00 0.00 176.35 173.21 1uos s LEU 105 N -3.02 2.29 0.05 1.48 1.43 0.12 -1.78 118.68 119.25 1uos s LEU 105 Ca 0.14 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1uos s LEU 105 Cb -0.05 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1uos s LEU 105 CO 0.10 0.18 -0.14 -1.59 0.23 0.00 0.00 176.35 175.13 1uos s LYS 106 N -1.92 0.89 0.48 1.70 -2.85 -1.26 -0.85 119.74 115.93 1uos s LYS 106 Ca 0.13 -0.81 0.14 0.00 -1.00 0.00 0.00 55.97 54.43 1uos s LYS 106 Cb -0.10 -0.90 1.15 0.00 -2.06 0.00 0.00 37.83 35.93 1uos s LYS 106 CO 0.05 0.22 2.10 -0.22 0.10 0.00 0.00 175.35 177.59 1uos h LYS 107 N 4.74 0.18 -0.23 1.78 3.64 -1.63 -0.49 116.57 124.56 1uos h LYS 107 Ca -0.39 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1uos h LYS 107 Cb 1.18 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1uos h LYS 107 CO 0.43 0.12 0.24 0.93 -2.27 0.00 0.00 179.45 178.90 1uos h GLU 108 N 0.18 0.00 -0.08 1.90 3.07 -1.96 -1.70 114.58 115.99 1uos h GLU 108 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1uos h GLU 108 Cb 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1uos h GLU 108 CO -0.02 0.00 -0.12 0.25 -1.40 0.00 0.00 179.01 177.72 1uos n THR 109 N -3.84 2.10 -1.30 1.13 -2.24 -0.92 -4.94 114.28 104.27 1uos n THR 109 Ca 0.03 -2.48 -0.09 0.00 -2.27 0.00 0.00 64.05 59.24 1uos n THR 109 Cb 0.38 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1uos n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uos n GLY 110 N -1.18 1.02 3.23 3.38 0.00 -0.64 -2.77 105.19 108.23 1uos n GLY 110 Ca 0.19 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1uos n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uos n PHE 111 N -2.80 -2.35 0.00 1.61 3.01 -0.24 -4.80 117.46 111.89 1uos n PHE 111 Ca -0.09 0.79 0.00 0.00 1.01 0.00 0.00 57.45 59.16 1uos n PHE 111 Cb 0.31 -4.45 0.00 0.00 -0.01 0.00 0.00 39.48 35.32 1uos n PHE 111 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1uos n ARG 112 N -4.28 0.00 -0.64 -1.08 5.12 -1.11 -4.50 116.66 110.17 1uos n ARG 112 Ca -0.02 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 1uos n ARG 112 Cb 0.57 -0.11 0.18 0.00 -1.16 0.00 0.00 32.46 31.94 1uos n ARG 112 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1uos n LYS 113 N -1.69 -0.80 -3.70 5.56 5.02 -1.26 -4.98 118.16 116.30 1uos n LYS 113 Ca 0.00 -0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1uos n LYS 113 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 32.61 1uos n LYS 113 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1uos s TRP 114 N -2.60 3.64 0.01 2.13 0.51 -1.26 -4.62 118.94 116.74 1uos s TRP 114 Ca 0.67 0.71 0.08 0.00 -2.12 0.00 0.00 56.10 55.44 1uos s TRP 114 Cb -0.23 -2.11 -0.02 0.00 -0.81 0.00 0.00 33.47 30.29 1uos s TRP 114 CO 0.59 0.66 -0.24 -0.06 -0.51 0.00 0.00 176.95 177.39 1uos s PHE 115 N -0.90 2.13 0.45 -1.98 0.40 -0.73 -4.96 117.98 112.39 1uos s PHE 115 Ca 0.18 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 1uos s PHE 115 Cb -0.14 -1.34 -0.10 0.00 0.51 0.00 0.00 43.02 41.96 1uos s PHE 115 CO 0.07 0.02 0.99 0.14 0.70 0.00 0.00 175.22 177.15 1uos s VAL 116 N -0.66 4.10 0.16 -0.44 -7.23 -1.26 -1.27 120.40 113.80 1uos s VAL 116 Ca 0.10 1.33 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 1uos s VAL 116 Cb -0.09 -3.55 0.06 0.00 0.56 0.00 0.00 36.38 33.36 1uos s VAL 116 CO 0.00 -0.26 0.58 0.00 -0.31 0.00 0.00 175.10 175.12 1uos s ALA 117 N -2.06 -1.50 0.45 1.32 0.00 0.13 -4.87 121.76 115.23 1uos s ALA 117 Ca 0.64 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 1uos s ALA 117 Cb -0.13 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1uos s ALA 117 CO 0.17 -0.77 1.41 0.45 0.00 0.00 0.00 175.76 177.02 1uos s SER 118 N -2.77 5.93 0.00 0.00 0.15 -1.26 -0.83 113.70 114.92 1uos s SER 118 Ca 0.02 2.88 0.28 0.00 0.70 0.00 0.00 55.95 59.83 1uos s SER 118 Cb -0.01 -2.65 1.15 0.00 -1.71 0.00 0.00 66.02 62.80 1uos s SER 118 CO -0.12 -1.14 1.81 0.00 1.20 0.00 0.00 173.24 174.99 1uos n ILE 120 N -0.61 0.32 -2.63 0.00 -5.35 -1.26 -3.31 119.36 106.52 1uos n ILE 120 Ca 0.16 -0.60 -0.34 0.00 -0.27 0.00 0.00 62.75 61.70 1uos n ILE 120 Cb 0.29 0.96 -0.05 0.00 -1.74 0.00 0.00 39.64 39.11 1uos n ILE 120 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1uos s GLY 121 N -1.64 2.54 -0.33 3.28 0.00 -1.24 -4.85 107.32 105.08 1uos s GLY 121 Ca 0.35 0.57 -0.06 0.00 0.00 0.00 0.00 44.72 45.58 1uos s GLY 121 CO 0.31 0.90 0.09 0.54 0.00 0.00 0.00 173.10 174.94 1uos s LYS 122 N -3.02 2.69 0.24 2.90 1.02 -1.26 -3.54 119.74 118.78 1uos s LYS 122 Ca 0.63 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 1uos s LYS 122 Cb -0.16 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1uos s LYS 122 CO 0.20 -0.62 0.28 0.96 -0.92 0.00 0.00 175.35 175.24 1uos s ILE 123 N 1.41 0.00 1.04 2.17 -4.36 -0.54 -4.48 121.20 116.44 1uos s ILE 123 Ca -0.01 -1.79 -0.12 0.00 -0.26 0.00 0.00 60.65 58.46 1uos s ILE 123 Cb -0.19 -2.44 0.21 0.00 1.25 0.00 0.00 42.46 41.30 1uos s ILE 123 CO 0.02 0.00 1.07 -2.84 0.24 0.00 0.00 174.94 173.44 1uos s PRO 124 N -3.93 0.07 0.10 0.37 0.02 -1.24 -1.65 135.00 128.75 1uos s PRO 124 Ca 0.34 0.73 -0.25 0.00 0.02 0.00 0.00 61.00 61.83 1uos s PRO 124 Cb 0.04 -1.68 0.07 0.00 0.02 0.00 0.00 34.50 32.95 1uos s PRO 124 CO 0.14 -3.03 0.62 -0.59 -0.33 0.00 0.00 177.00 173.81 1uos s PHE 125 N -2.76 -0.57 -0.09 6.54 -0.12 -1.06 -1.22 117.98 118.70 1uos s PHE 125 Ca 0.66 0.55 0.02 0.00 -0.05 0.00 0.00 56.93 58.11 1uos s PHE 125 Cb -0.21 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 1uos s PHE 125 CO 0.60 -0.78 -0.14 0.54 -0.05 0.00 0.00 175.22 175.38 1uos s VAL 126 N -3.04 3.00 0.36 -2.49 0.11 -1.21 -0.26 120.40 116.86 1uos s VAL 126 Ca -0.02 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1uos s VAL 126 Cb -0.01 -2.21 -0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1uos s VAL 126 CO -0.07 0.56 0.50 0.00 -3.33 0.00 0.00 175.10 172.77 1uos s LYS 128 N -4.24 0.70 0.11 0.00 2.20 0.10 -2.26 119.74 116.35 1uos s LYS 128 Ca 0.46 0.81 -0.22 0.00 -0.36 0.00 0.00 55.97 56.66 1uos s LYS 128 Cb -0.10 0.34 0.06 0.00 -1.51 0.00 0.00 37.83 36.62 1uos s LYS 128 CO 0.32 -0.09 0.55 -0.59 -0.36 0.00 0.00 175.35 175.18 1uos s PHE 129 N 0.28 -0.46 -0.35 4.03 -0.71 -0.71 -1.25 117.98 118.82 1uos s PHE 129 Ca -0.00 0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 56.05 1uos s PHE 129 Cb -0.04 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1uos s PHE 129 CO 0.01 -0.76 0.43 -1.25 -1.34 0.00 0.00 175.22 172.31 1uos s PRO 130 N -3.30 3.57 0.65 1.99 0.04 -1.26 -0.22 135.00 136.47 1uos s PRO 130 Ca -0.01 -0.32 -0.16 0.00 0.04 0.00 0.00 61.00 60.55 1uos s PRO 130 Cb -0.00 -3.81 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 1uos s PRO 130 CO -0.09 -0.59 1.15 -1.25 0.04 0.00 0.00 177.00 176.27 1uos s PRO 131 N 2.18 2.72 0.13 0.56 0.04 -1.26 -4.97 135.00 134.39 1uos s PRO 131 Ca 0.15 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1uos s PRO 131 Cb -0.16 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1uos s PRO 131 CO 0.12 -1.35 0.40 -0.65 0.04 0.00 0.00 177.00 175.56 1uos s GLN 132 N -3.82 3.67 0.00 4.56 -0.21 -1.26 -5.04 119.66 117.56 1uos s GLN 132 Ca 0.71 0.02 0.00 0.00 0.02 0.00 0.00 55.36 56.11 1uos s GLN 132 Cb -0.25 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 30.89 1uos s GLN 132 CO 0.39 0.48 0.13 0.00 -2.12 0.00 0.00 175.29 174.18