#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tlm s LYS 9 N 0.00 0.17 -0.31 4.33 1.02 -1.26 -5.06 119.74 118.64 1tlm s LYS 9 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1tlm s LYS 9 Cb 0.00 -1.25 0.09 0.00 -0.52 0.00 0.00 37.83 36.15 1tlm s LYS 9 CO 0.00 -0.97 0.03 0.00 -0.92 0.00 0.00 175.35 173.49 1tlm h PRO 11 N 7.78 0.00 -3.51 0.00 0.11 -1.84 -3.43 132.00 131.11 1tlm h PRO 11 Ca -0.10 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.70 1tlm h PRO 11 Cb 1.03 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.79 1tlm h PRO 11 CO 0.49 0.12 -0.73 -1.17 -0.21 0.00 0.00 178.00 176.50 1tlm s LEU 12 N -7.60 0.93 0.02 2.35 2.96 -1.26 -1.45 118.68 114.63 1tlm s LEU 12 Ca -0.03 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1tlm s LEU 12 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.71 1tlm s LEU 12 CO 0.61 -0.15 -0.07 -0.32 -1.32 0.00 0.00 176.35 175.10 1tlm s MET 13 N 1.25 0.50 -0.03 1.98 -2.45 -0.01 -4.38 119.30 116.16 1tlm s MET 13 Ca -0.07 -0.53 0.07 0.00 -1.25 0.00 0.00 55.69 53.91 1tlm s MET 13 Cb -0.13 -0.35 -0.02 0.00 1.25 0.00 0.00 34.83 35.58 1tlm s MET 13 CO -0.03 0.08 -0.23 0.08 1.05 0.00 0.00 175.02 175.97 1tlm s VAL 14 N -0.87 1.82 -0.05 10.11 1.01 -0.94 -0.38 120.40 131.11 1tlm s VAL 14 Ca -0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1tlm s VAL 14 Cb -0.07 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1tlm s VAL 14 CO 0.00 0.51 -0.14 -0.75 0.00 0.00 0.00 175.10 174.72 1tlm s LYS 15 N -0.42 1.66 -0.06 2.72 2.20 -0.84 -1.33 119.74 123.68 1tlm s LYS 15 Ca 0.05 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1tlm s LYS 15 Cb -0.10 -1.42 0.02 0.00 -1.51 0.00 0.00 37.83 34.82 1tlm s LYS 15 CO 0.00 0.14 -0.07 0.08 -0.36 0.00 0.00 175.35 175.15 1tlm s VAL 16 N 0.29 0.75 0.18 4.02 1.01 -0.31 -1.35 120.40 124.99 1tlm s VAL 16 Ca -0.08 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1tlm s VAL 16 Cb -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1tlm s VAL 16 CO 0.03 0.28 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 1tlm s LEU 17 N 0.98 2.43 -0.26 3.92 1.43 -0.18 -1.60 118.68 125.40 1tlm s LEU 17 Ca -0.10 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 1tlm s LEU 17 Cb -0.14 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1tlm s LEU 17 CO 0.00 0.05 -0.00 -0.62 0.23 0.00 0.00 176.35 176.01 1tlm s ASP 18 N -2.63 4.62 0.41 2.29 -1.08 0.39 -0.99 116.67 119.69 1tlm s ASP 18 Ca 0.18 -0.66 0.22 0.00 -0.52 0.00 0.00 52.55 51.77 1tlm s ASP 18 Cb -0.07 -1.77 0.55 0.00 -1.46 0.00 0.00 42.92 40.17 1tlm s ASP 18 CO 0.08 -0.12 1.67 0.00 0.52 0.00 0.00 175.17 177.32 1tlm h ALA 19 N 8.12 0.91 0.05 3.66 0.00 -1.52 -1.37 119.26 129.12 1tlm h ALA 19 Ca -0.35 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1tlm h ALA 19 Cb 1.13 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1tlm h ALA 19 CO 0.59 0.25 -0.44 0.28 0.00 0.00 0.00 179.25 179.93 1tlm h VAL 20 N 0.00 1.58 -0.02 0.00 2.07 -1.95 -3.39 116.25 114.54 1tlm h VAL 20 Ca -0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1tlm h VAL 20 Cb 0.98 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1tlm h VAL 20 CO 0.03 0.63 -0.08 0.54 0.02 0.00 0.00 177.57 178.70 1tlm n ARG 21 N -4.36 1.59 -3.46 1.57 1.74 -1.24 -5.01 116.66 107.49 1tlm n ARG 21 Ca -0.11 -1.44 -0.18 0.00 -0.77 0.00 0.00 57.85 55.35 1tlm n ARG 21 Cb 0.63 -1.35 0.09 0.00 -1.02 0.00 0.00 32.46 30.81 1tlm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tlm n GLY 22 N 1.09 -0.37 3.44 -0.13 0.00 -0.53 -5.02 105.19 103.67 1tlm n GLY 22 Ca 0.10 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1tlm n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tlm s SER 23 N -4.30 -0.09 0.62 1.61 1.04 -1.14 -5.02 113.70 106.42 1tlm s SER 23 Ca 0.03 -0.74 -0.18 0.00 0.48 0.00 0.00 55.95 55.55 1tlm s SER 23 Cb -0.02 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1tlm s SER 23 CO 0.74 -0.99 1.18 -2.84 0.98 0.00 0.00 173.24 172.31 1tlm s PRO 24 N -3.94 2.88 -0.47 4.02 0.02 -1.26 -0.46 135.00 135.78 1tlm s PRO 24 Ca 0.15 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 62.73 1tlm s PRO 24 Cb 0.01 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.67 1tlm s PRO 24 CO 0.00 -1.26 0.41 0.00 -0.33 0.00 0.00 177.00 175.83 1tlm s ALA 25 N -1.79 3.54 0.08 -1.55 0.00 -0.63 -4.62 121.76 116.80 1tlm s ALA 25 Ca 0.75 -2.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 1tlm s ALA 25 Cb -0.28 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1tlm s ALA 25 CO 0.35 -1.75 0.54 0.42 0.00 0.00 0.00 175.76 175.33 1tlm s ILE 26 N 1.73 4.80 -1.42 0.00 1.01 -1.26 -4.36 121.20 121.71 1tlm s ILE 26 Ca 0.05 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.76 1tlm s ILE 26 Cb -0.24 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1tlm s ILE 26 CO 0.07 0.50 0.34 0.59 0.00 0.00 0.00 174.94 176.45 1tlm n ASN 27 N 1.56 -5.43 -4.70 3.58 5.03 -0.06 -4.91 115.26 110.33 1tlm n ASN 27 Ca -0.10 -0.17 -0.39 0.00 0.87 0.00 0.00 54.58 54.80 1tlm n ASN 27 Cb 0.51 -4.34 -0.06 0.00 -1.02 0.00 0.00 39.78 34.87 1tlm n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1tlm s VAL 28 N -3.03 5.13 0.25 2.41 1.01 -1.26 -4.75 120.40 120.16 1tlm s VAL 28 Ca 0.17 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1tlm s VAL 28 Cb -0.07 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1tlm s VAL 28 CO 0.21 0.26 1.18 0.00 0.00 0.00 0.00 175.10 176.75 1tlm s ALA 29 N 1.01 3.44 -0.03 5.51 0.00 -1.26 -1.38 121.76 129.05 1tlm s ALA 29 Ca 0.27 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1tlm s ALA 29 Cb -0.16 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1tlm s ALA 29 CO 0.11 -0.34 -0.01 0.08 0.00 0.00 0.00 175.76 175.60 1tlm s VAL 30 N -0.67 0.28 0.00 0.00 1.01 0.33 -1.57 120.40 119.78 1tlm s VAL 30 Ca 0.49 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1tlm s VAL 30 Cb -0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1tlm s VAL 30 CO 0.41 0.16 -0.25 -1.00 0.00 0.00 0.00 175.10 174.42 1tlm s HIS 31 N 0.94 2.27 -0.05 5.22 3.76 -0.62 -0.75 115.29 126.06 1tlm s HIS 31 Ca -0.10 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1tlm s HIS 31 Cb -0.14 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1tlm s HIS 31 CO -0.01 0.02 -0.16 0.08 -0.85 0.00 0.00 174.74 173.82 1tlm s VAL 32 N -0.67 1.38 0.12 -0.90 1.01 -0.27 -0.99 120.40 120.08 1tlm s VAL 32 Ca 0.10 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1tlm s VAL 32 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1tlm s VAL 32 CO 0.00 0.40 -0.18 -0.36 0.00 0.00 0.00 175.10 174.96 1tlm s PHE 33 N 0.24 1.66 -0.13 5.22 0.40 0.36 -0.18 117.98 125.55 1tlm s PHE 33 Ca -0.08 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1tlm s PHE 33 Cb -0.13 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1tlm s PHE 33 CO 0.03 0.21 -0.14 0.50 0.70 0.00 0.00 175.22 176.52 1tlm s ARG 34 N -2.23 3.36 0.14 0.44 3.52 -0.34 -0.69 118.95 123.14 1tlm s ARG 34 Ca 0.08 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 54.67 1tlm s ARG 34 Cb -0.08 -2.62 -0.09 0.00 -1.56 0.00 0.00 34.95 30.60 1tlm s ARG 34 CO 0.04 0.20 1.47 0.21 -0.81 0.00 0.00 175.30 176.41 1tlm s LYS 35 N 0.39 4.28 0.24 5.12 2.20 0.23 -1.74 119.74 130.45 1tlm s LYS 35 Ca -0.11 2.20 0.04 0.00 -0.36 0.00 0.00 55.97 57.74 1tlm s LYS 35 Cb -0.16 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1tlm s LYS 35 CO 0.05 -0.51 0.38 0.00 -0.36 0.00 0.00 175.35 174.91 1tlm s ALA 36 N 1.12 3.90 0.33 3.13 0.00 0.46 -4.75 121.76 125.95 1tlm s ALA 36 Ca 0.67 -1.16 0.13 0.00 0.00 0.00 0.00 51.96 51.60 1tlm s ALA 36 Cb -0.40 -1.79 1.02 0.00 0.00 0.00 0.00 23.12 21.95 1tlm s ALA 36 CO 0.31 0.24 1.67 0.00 0.00 0.00 0.00 175.76 177.98 1tlm h ALA 37 N 1.24 1.86 -0.00 0.00 0.00 -1.94 1.06 119.26 121.48 1tlm h ALA 37 Ca -0.51 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1tlm h ALA 37 Cb 1.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1tlm h ALA 37 CO 0.62 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 1tlm n ASP 38 N -5.05 0.02 -2.65 0.00 5.75 -1.26 -4.84 116.55 108.52 1tlm n ASP 38 Ca 0.30 -1.73 -0.18 0.00 -0.01 0.00 0.00 54.79 53.17 1tlm n ASP 38 Cb 0.92 -0.00 0.04 0.00 -1.03 0.00 0.00 41.12 41.05 1tlm n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1tlm n ASP 39 N -0.62 -5.30 -4.58 -1.12 -0.08 0.36 -5.02 116.55 100.19 1tlm n ASP 39 Ca 0.07 -0.32 -0.26 0.00 -1.51 0.00 0.00 54.79 52.77 1tlm n ASP 39 Cb 0.03 -4.03 -0.09 0.00 2.34 0.00 0.00 41.12 39.37 1tlm n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1tlm s THR 40 N -3.14 3.19 -0.22 5.18 2.01 -1.18 -4.82 115.64 116.66 1tlm s THR 40 Ca 0.34 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.37 1tlm s THR 40 Cb -0.15 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1tlm s THR 40 CO 0.42 -0.20 0.53 0.26 -0.69 0.00 0.00 174.62 174.94 1tlm s TRP 41 N -1.92 3.34 -0.12 4.92 0.52 -1.26 -0.40 118.94 124.02 1tlm s TRP 41 Ca 0.27 0.74 -0.02 0.00 0.02 0.00 0.00 56.10 57.11 1tlm s TRP 41 Cb -0.08 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 1tlm s TRP 41 CO 0.16 -0.16 -0.04 -1.83 0.02 0.00 0.00 176.95 175.10 1tlm s GLU 42 N 1.87 3.30 0.21 4.98 -1.05 -0.71 -4.93 118.70 122.37 1tlm s GLU 42 Ca 0.24 -0.52 -0.32 0.00 -0.15 0.00 0.00 54.97 54.22 1tlm s GLU 42 Cb -0.15 -2.80 -0.14 0.00 -0.44 0.00 0.00 34.13 30.60 1tlm s GLU 42 CO 0.09 0.43 1.39 -2.30 0.95 0.00 0.00 175.26 175.82 1tlm n PRO 43 N 2.96 1.88 0.03 -4.83 -0.02 -1.26 -1.20 135.00 132.55 1tlm n PRO 43 Ca -0.18 0.67 -0.01 0.00 -2.02 0.00 0.00 63.50 61.96 1tlm n PRO 43 Cb 0.53 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1tlm n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tlm n PHE 44 N 2.07 0.00 -3.78 6.00 7.35 0.74 -4.80 117.46 125.04 1tlm n PHE 44 Ca 0.13 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.73 1tlm n PHE 44 Cb 0.30 -0.05 -0.04 0.00 0.35 0.00 0.00 39.48 40.04 1tlm n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tlm s ALA 45 N -2.06 -0.76 0.27 3.13 0.00 -0.92 -5.00 121.76 116.41 1tlm s ALA 45 Ca -0.02 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1tlm s ALA 45 Cb 0.00 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1tlm s ALA 45 CO 0.03 -0.78 0.64 -1.54 0.00 0.00 0.00 175.76 174.12 1tlm s SER 46 N -2.89 -0.21 0.00 0.00 1.04 -1.26 -1.11 113.70 109.27 1tlm s SER 46 Ca 0.11 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1tlm s SER 46 Cb -0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1tlm s SER 46 CO -0.02 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1tlm n GLY 47 N -0.43 -1.22 3.04 7.32 0.00 0.07 -4.99 105.19 108.98 1tlm n GLY 47 Ca -0.03 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1tlm n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tlm s LYS 48 N -0.58 1.02 0.53 1.61 1.02 -1.26 -0.51 119.74 121.58 1tlm s LYS 48 Ca 0.00 -0.38 -0.20 0.00 0.02 0.00 0.00 55.97 55.41 1tlm s LYS 48 Cb 0.00 -0.96 -0.06 0.00 -0.52 0.00 0.00 37.83 36.30 1tlm s LYS 48 CO 0.00 0.18 1.17 0.95 -0.92 0.00 0.00 175.35 176.73 1tlm s THR 49 N -0.02 2.97 0.13 2.17 -4.23 -0.48 -4.85 115.64 111.33 1tlm s THR 49 Ca 0.00 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1tlm s THR 49 Cb -0.07 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.52 1tlm s THR 49 CO 0.00 -0.10 0.17 -1.54 -0.54 0.00 0.00 174.62 172.62 1tlm n SER 50 N -1.16 0.05 0.31 3.99 3.41 -0.43 -0.88 113.62 118.91 1tlm n SER 50 Ca 0.11 -1.09 0.20 0.00 -0.26 0.00 0.00 58.87 57.83 1tlm n SER 50 Cb 0.50 -0.13 1.03 0.00 -0.26 0.00 0.00 64.21 65.35 1tlm n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tlm h GLU 51 N 0.00 0.00 -0.45 4.33 3.07 -1.94 -0.04 114.58 119.54 1tlm h GLU 51 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1tlm h GLU 51 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1tlm h GLU 51 CO 0.04 0.01 0.00 -1.13 -1.40 0.00 0.00 179.01 176.54 1tlm n SER 52 N -3.22 4.49 -0.01 1.42 3.41 -1.26 -4.82 113.62 113.63 1tlm n SER 52 Ca -0.02 -2.72 -0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1tlm n SER 52 Cb 0.14 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1tlm n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tlm n GLY 53 N 0.33 0.36 3.68 5.00 0.00 -0.03 -4.85 105.19 109.68 1tlm n GLY 53 Ca 0.23 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1tlm n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tlm s GLU 54 N -0.62 2.41 -0.05 1.61 2.02 -1.26 -1.17 118.70 121.64 1tlm s GLU 54 Ca 0.00 -1.30 -0.02 0.00 0.02 0.00 0.00 54.97 53.67 1tlm s GLU 54 Cb 0.00 -2.26 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1tlm s GLU 54 CO 0.00 0.39 0.03 -1.17 0.02 0.00 0.00 175.26 174.53 1tlm s LEU 55 N -3.56 0.36 0.21 1.80 0.20 -0.44 -1.32 118.68 115.94 1tlm s LEU 55 Ca 0.31 0.00 0.08 0.00 0.69 0.00 0.00 54.13 55.21 1tlm s LEU 55 Cb -0.07 -0.28 -0.05 0.00 -0.43 0.00 0.00 46.19 45.36 1tlm s LEU 55 CO 0.20 -0.22 -0.14 -1.00 -0.29 0.00 0.00 176.35 174.90 1tlm s HIS 56 N 2.05 1.75 -1.04 5.38 3.76 -1.26 -2.21 115.29 123.72 1tlm s HIS 56 Ca 0.05 -0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 54.34 1tlm s HIS 56 Cb -0.12 -0.83 0.01 0.00 1.11 0.00 0.00 32.58 32.75 1tlm s HIS 56 CO -0.04 0.37 0.90 0.41 -0.85 0.00 0.00 174.74 175.52 1tlm n GLY 57 N -0.41 -0.23 0.10 -2.22 0.00 -1.26 -4.92 105.19 96.25 1tlm n GLY 57 Ca -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1tlm n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tlm h LEU 58 N -1.94 0.00 0.00 0.99 3.38 -1.89 -3.48 115.31 112.36 1tlm h LEU 58 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1tlm h LEU 58 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1tlm h LEU 58 CO 0.43 0.75 0.00 1.07 0.09 0.00 0.00 178.44 180.79 1tlm n THR 59 N -3.28 0.00 -4.15 0.22 5.66 -1.26 -4.76 114.28 106.70 1tlm n THR 59 Ca 0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1tlm n THR 59 Cb 0.84 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.52 1tlm n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tlm s THR 60 N -2.98 0.63 0.42 1.09 -4.23 -1.26 -4.71 115.64 104.60 1tlm s THR 60 Ca 0.00 -1.87 0.22 0.00 -1.18 0.00 0.00 61.69 58.86 1tlm s THR 60 Cb 0.00 -1.61 0.24 0.00 1.34 0.00 0.00 72.50 72.48 1tlm s THR 60 CO 0.00 -0.86 2.03 -0.33 -0.54 0.00 0.00 174.62 174.92 1tlm h GLU 61 N 3.07 0.00 0.02 3.99 5.08 -1.92 -0.86 114.58 123.96 1tlm h GLU 61 Ca -0.35 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.80 1tlm h GLU 61 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1tlm h GLU 61 CO 0.64 0.16 -1.00 0.93 -1.00 0.00 0.00 179.01 178.73 1tlm h GLU 62 N 0.00 0.04 0.00 2.33 5.08 -2.02 -3.27 114.58 116.74 1tlm h GLU 62 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1tlm h GLU 62 Cb 0.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1tlm h GLU 62 CO 0.02 1.00 -0.94 1.96 -1.00 0.00 0.00 179.01 180.05 1tlm h GLN 63 N 0.01 0.00 -3.89 2.33 1.08 -1.93 -3.40 115.11 109.31 1tlm h GLN 63 Ca -0.03 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.45 1tlm h GLN 63 Cb 1.75 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 29.10 1tlm h GLN 63 CO 0.14 0.13 2.77 0.34 -0.95 0.00 0.00 178.83 181.25 1tlm n PHE 64 N -2.84 3.39 -2.39 2.96 7.35 -0.35 -4.96 117.46 120.62 1tlm n PHE 64 Ca -0.02 -2.92 -0.24 0.00 -0.76 0.00 0.00 57.45 53.51 1tlm n PHE 64 Cb 0.65 -2.37 0.05 0.00 0.35 0.00 0.00 39.48 38.15 1tlm n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tlm s VAL 65 N 2.35 2.68 0.53 -2.13 -7.23 -1.26 -4.93 120.40 110.41 1tlm s VAL 65 Ca 0.45 -0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 60.04 1tlm s VAL 65 Cb 0.12 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1tlm s VAL 65 CO -0.06 -0.09 1.34 -0.62 -0.31 0.00 0.00 175.10 175.36 1tlm n GLU 66 N -2.66 1.71 -3.57 4.82 1.02 -1.26 -4.88 120.64 115.81 1tlm n GLU 66 Ca 0.07 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1tlm n GLU 66 Cb 0.60 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1tlm n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tlm n GLY 67 N 0.78 -1.59 3.71 0.62 0.00 -1.14 -4.98 105.19 102.58 1tlm n GLY 67 Ca 0.10 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1tlm n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tlm s ILE 68 N -2.57 5.33 0.14 -0.61 1.01 -1.26 -1.77 121.20 121.48 1tlm s ILE 68 Ca 0.00 0.40 0.09 0.00 0.00 0.00 0.00 60.65 61.14 1tlm s ILE 68 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1tlm s ILE 68 CO 0.00 0.38 -0.15 -0.31 0.00 0.00 0.00 174.94 174.86 1tlm s TYR 69 N 0.67 2.57 -0.06 3.97 1.51 -0.37 -0.60 117.35 125.04 1tlm s TYR 69 Ca 0.13 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1tlm s TYR 69 Cb -0.13 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1tlm s TYR 69 CO 0.03 0.44 -0.05 0.21 -1.11 0.00 0.00 175.55 175.08 1tlm s LYS 70 N -2.42 0.93 -0.23 -0.62 2.20 0.13 -1.68 119.74 118.05 1tlm s LYS 70 Ca 0.21 -0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.67 1tlm s LYS 70 Cb -0.10 -0.99 -0.01 0.00 -1.51 0.00 0.00 37.83 35.22 1tlm s LYS 70 CO 0.12 -0.14 -0.01 0.08 -0.36 0.00 0.00 175.35 175.04 1tlm s VAL 71 N 1.19 3.61 -0.16 4.02 1.01 -0.18 -0.48 120.40 129.41 1tlm s VAL 71 Ca -0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1tlm s VAL 71 Cb -0.14 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1tlm s VAL 71 CO -0.01 0.40 -0.13 -0.70 0.00 0.00 0.00 175.10 174.65 1tlm s GLU 72 N 1.51 3.27 -0.24 2.72 2.12 -0.16 -1.05 118.70 126.86 1tlm s GLU 72 Ca 0.06 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 1tlm s GLU 72 Cb -0.14 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 1tlm s GLU 72 CO -0.02 0.03 0.06 0.42 -0.54 0.00 0.00 175.26 175.21 1tlm s ILE 73 N 0.81 4.29 -1.31 -3.70 1.01 0.12 -1.59 121.20 120.83 1tlm s ILE 73 Ca -0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1tlm s ILE 73 Cb -0.15 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.38 1tlm s ILE 73 CO 0.00 0.35 1.79 -0.67 0.00 0.00 0.00 174.94 176.41 1tlm n ASP 74 N 4.82 4.80 -0.03 3.58 2.03 -0.61 -1.51 116.55 129.63 1tlm n ASP 74 Ca -0.16 -2.91 -0.08 0.00 0.52 0.00 0.00 54.79 52.16 1tlm n ASP 74 Cb 0.51 -1.74 0.09 0.00 -0.72 0.00 0.00 41.12 39.26 1tlm n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tlm h THR 75 N 5.45 1.29 -0.48 5.18 1.35 -1.88 -3.27 112.91 120.56 1tlm h THR 75 Ca 0.45 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 1tlm h THR 75 Cb 0.85 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1tlm h THR 75 CO 1.49 0.50 0.25 0.50 -0.25 0.00 0.00 175.52 178.00 1tlm h LYS 76 N 0.52 0.68 -0.54 4.72 3.64 -1.76 -2.45 116.57 121.38 1tlm h LYS 76 Ca 0.05 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1tlm h LYS 76 Cb 0.90 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1tlm h LYS 76 CO 0.08 0.56 0.25 0.77 -2.27 0.00 0.00 179.45 178.84 1tlm h SER 77 N 0.63 0.68 -0.01 4.20 0.02 -1.90 -0.91 113.55 116.27 1tlm h SER 77 Ca 0.17 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1tlm h SER 77 Cb 0.08 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1tlm h SER 77 CO -0.02 0.59 0.00 0.22 -1.14 0.00 0.00 176.83 176.48 1tlm h TYR 78 N 0.76 0.01 -0.35 3.45 3.20 -1.52 -2.22 116.97 120.29 1tlm h TYR 78 Ca 0.19 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 1tlm h TYR 78 Cb 0.09 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1tlm h TYR 78 CO 0.01 0.09 -0.37 -1.49 -1.64 0.00 0.00 178.16 174.76 1tlm h TRP 79 N -0.08 1.05 -0.11 -3.82 4.06 -1.11 -2.93 115.95 113.01 1tlm h TRP 79 Ca 0.00 -0.32 -0.03 0.00 2.06 0.00 0.00 58.89 60.60 1tlm h TRP 79 Cb 0.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1tlm h TRP 79 CO -0.05 1.13 -0.06 0.87 -3.56 0.00 0.00 178.44 176.77 1tlm h LYS 80 N 0.67 0.16 0.00 0.49 1.57 -1.14 -2.08 116.57 116.25 1tlm h LYS 80 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1tlm h LYS 80 Cb 0.96 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1tlm h LYS 80 CO 0.09 0.24 -0.16 0.00 -0.57 0.00 0.00 179.45 179.05 1tlm h ALA 81 N 1.78 1.09 -0.00 3.86 0.00 -1.21 -2.13 119.26 122.65 1tlm h ALA 81 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tlm h ALA 81 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1tlm h ALA 81 CO 0.01 0.19 -0.29 1.28 0.00 0.00 0.00 179.25 180.44 1tlm n LEU 82 N -3.40 0.73 -0.06 0.00 4.32 -0.84 -4.95 117.00 112.80 1tlm n LEU 82 Ca -0.00 -0.11 -0.01 0.00 -0.02 0.00 0.00 56.01 55.87 1tlm n LEU 82 Cb 0.35 -0.19 -0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1tlm n LEU 82 CO 0.31 0.15 -0.01 0.61 -1.22 0.00 0.00 177.39 177.23 1tlm n GLY 83 N 1.38 0.37 3.36 -0.72 0.00 -0.80 -5.06 105.19 103.72 1tlm n GLY 83 Ca 0.10 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1tlm n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tlm s ILE 84 N -2.02 3.08 -0.11 -0.61 1.01 -0.86 -5.03 121.20 116.66 1tlm s ILE 84 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1tlm s ILE 84 Cb 0.00 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1tlm s ILE 84 CO 0.00 0.51 0.86 -0.94 0.00 0.00 0.00 174.94 175.37 1tlm s SER 85 N 0.52 7.08 0.51 3.58 1.04 -1.26 -3.87 113.70 121.29 1tlm s SER 85 Ca -0.08 1.31 0.02 0.00 0.48 0.00 0.00 55.95 57.68 1tlm s SER 85 Cb -0.16 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1tlm s SER 85 CO 0.04 -0.33 0.72 -2.16 0.98 0.00 0.00 173.24 172.49 1tlm s PRO 86 N 1.68 2.70 -0.20 4.02 0.04 -1.26 -4.91 135.00 137.07 1tlm s PRO 86 Ca 0.42 -0.79 -0.22 0.00 0.04 0.00 0.00 61.00 60.45 1tlm s PRO 86 Cb -0.18 -2.55 -0.19 0.00 0.04 0.00 0.00 34.50 31.62 1tlm s PRO 86 CO 0.17 -0.54 0.27 0.35 0.04 0.00 0.00 177.00 177.28 1tlm h PHE 87 N 0.24 0.00 -3.86 0.56 3.57 -1.61 -3.48 116.94 112.36 1tlm h PHE 87 Ca -0.43 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.60 1tlm h PHE 87 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1tlm h PHE 87 CO 0.39 1.40 0.35 -1.01 -2.23 0.00 0.00 178.31 177.22 1tlm s HIS 88 N -2.34 3.73 0.17 0.41 3.76 -1.26 -4.98 115.29 114.77 1tlm s HIS 88 Ca -0.27 1.80 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 1tlm s HIS 88 Cb 0.05 -2.94 0.02 0.00 1.11 0.00 0.00 32.58 30.82 1tlm s HIS 88 CO 0.59 0.23 1.40 0.93 -0.85 0.00 0.00 174.74 177.04 1tlm h GLU 89 N 3.32 0.35 -1.35 1.40 4.39 -1.98 -3.39 114.58 117.32 1tlm h GLU 89 Ca -0.46 -0.32 0.33 0.00 0.34 0.00 0.00 59.36 59.24 1tlm h GLU 89 Cb 1.19 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.79 1tlm h GLU 89 CO 0.65 0.99 0.86 -3.38 -1.16 0.00 0.00 179.01 176.98 1tlm s HIS 90 N -3.45 -0.04 -0.09 4.33 -3.43 -1.26 -4.02 115.29 107.32 1tlm s HIS 90 Ca -0.05 -0.03 0.02 0.00 -0.80 0.00 0.00 55.06 54.20 1tlm s HIS 90 Cb 0.10 0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1tlm s HIS 90 CO 0.84 -0.21 -0.15 0.00 -2.00 0.00 0.00 174.74 173.23 1tlm s ALA 91 N -2.33 2.59 -0.02 -1.38 0.00 -0.57 -4.89 121.76 115.16 1tlm s ALA 91 Ca 0.14 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1tlm s ALA 91 Cb 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1tlm s ALA 91 CO -0.04 0.40 -0.17 -1.21 0.00 0.00 0.00 175.76 174.74 1tlm s GLU 92 N -0.19 1.51 -0.18 0.00 2.02 -1.26 0.11 118.70 120.70 1tlm s GLU 92 Ca -0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1tlm s GLU 92 Cb -0.13 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.71 1tlm s GLU 92 CO 0.03 0.34 -0.14 0.08 0.02 0.00 0.00 175.26 175.59 1tlm s VAL 93 N -0.30 1.79 -0.16 2.63 1.01 -0.22 -4.98 120.40 120.19 1tlm s VAL 93 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1tlm s VAL 93 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1tlm s VAL 93 CO 0.00 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 1tlm s VAL 94 N 1.36 2.88 0.14 2.92 1.01 -1.26 -1.01 120.40 126.45 1tlm s VAL 94 Ca 0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1tlm s VAL 94 Cb -0.15 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1tlm s VAL 94 CO -0.10 0.51 0.36 0.72 0.00 0.00 0.00 175.10 176.58 1tlm s PHE 95 N 0.75 0.04 -0.17 5.22 -0.71 -0.68 -5.02 117.98 117.42 1tlm s PHE 95 Ca -0.05 -0.40 -0.10 0.00 -1.04 0.00 0.00 56.93 55.34 1tlm s PHE 95 Cb -0.15 0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1tlm s PHE 95 CO 0.01 -0.72 0.17 0.99 -1.34 0.00 0.00 175.22 174.32 1tlm s THR 96 N -3.87 5.40 -0.34 -4.49 2.01 -1.26 -1.24 115.64 111.85 1tlm s THR 96 Ca 0.08 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.20 1tlm s THR 96 Cb 0.02 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1tlm s THR 96 CO -0.07 0.47 0.36 0.00 -0.69 0.00 0.00 174.62 174.69 1tlm s ALA 97 N 0.06 3.50 -0.06 7.40 0.00 -0.73 -4.98 121.76 126.95 1tlm s ALA 97 Ca 0.11 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1tlm s ALA 97 Cb -0.12 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1tlm s ALA 97 CO 0.01 -1.06 -0.19 -0.80 0.00 0.00 0.00 175.76 173.72 1tlm s ASN 98 N 1.73 3.60 0.00 0.00 0.01 -1.26 -2.88 114.94 116.14 1tlm s ASN 98 Ca 0.12 -0.35 0.17 0.00 -0.71 0.00 0.00 52.86 52.08 1tlm s ASN 98 Cb -0.17 -0.89 0.83 0.00 0.41 0.00 0.00 41.25 41.43 1tlm s ASN 98 CO 0.12 0.28 1.51 0.47 -1.51 0.00 0.00 177.10 177.97 1tlm n ASP 99 N 2.71 0.00 0.00 -1.22 8.00 -1.26 -4.00 116.55 120.78 1tlm n ASP 99 Ca -0.17 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1tlm n ASP 99 Cb 0.52 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1tlm n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1tlm n SER 100 N -1.33 0.00 0.00 -2.24 3.41 -1.26 -4.45 113.62 107.75 1tlm n SER 100 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1tlm n SER 100 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1tlm n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tlm n GLY 101 N -0.74 -1.44 3.75 5.00 0.00 -1.26 -5.15 105.19 105.36 1tlm n GLY 101 Ca 0.00 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1tlm n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tlm s PRO 102 N -0.28 4.36 -0.17 1.61 0.04 -1.26 -5.05 135.00 134.25 1tlm s PRO 102 Ca 0.00 0.79 0.15 0.00 0.04 0.00 0.00 61.00 61.97 1tlm s PRO 102 Cb 0.00 -3.36 0.36 0.00 0.04 0.00 0.00 34.50 31.54 1tlm s PRO 102 CO 0.00 0.31 1.19 0.54 0.04 0.00 0.00 177.00 179.08 1tlm n ARG 103 N 2.89 1.42 -3.85 4.56 5.12 -1.26 -4.88 116.66 120.67 1tlm n ARG 103 Ca -0.06 -2.95 -0.36 0.00 -1.93 0.00 0.00 57.85 52.55 1tlm n ARG 103 Cb 0.51 -1.54 -0.11 0.00 -1.16 0.00 0.00 32.46 30.16 1tlm n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1tlm s ARG 104 N -3.02 3.84 -0.17 5.56 1.81 -0.21 -4.70 118.95 122.07 1tlm s ARG 104 Ca 0.35 -0.39 -0.00 0.00 -1.72 0.00 0.00 55.73 53.96 1tlm s ARG 104 Cb 0.33 -3.33 -0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1tlm s ARG 104 CO -0.03 0.02 -0.13 0.71 -0.68 0.00 0.00 175.30 175.19 1tlm s TYR 105 N 1.08 2.82 -0.25 -0.53 1.51 -0.53 -0.96 117.35 120.49 1tlm s TYR 105 Ca 0.05 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1tlm s TYR 105 Cb -0.14 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1tlm s TYR 105 CO 0.03 -0.48 -0.06 0.99 -1.11 0.00 0.00 175.55 174.92 1tlm s THR 106 N 0.91 2.79 -0.27 -0.71 2.01 -0.52 -0.83 115.64 119.02 1tlm s THR 106 Ca -0.03 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.71 1tlm s THR 106 Cb -0.15 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1tlm s THR 106 CO -0.01 0.16 0.36 -0.63 -0.69 0.00 0.00 174.62 173.81 1tlm s ILE 107 N 1.30 5.19 0.07 1.82 1.01 0.49 -0.33 121.20 130.74 1tlm s ILE 107 Ca -0.01 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.24 1tlm s ILE 107 Cb -0.17 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1tlm s ILE 107 CO -0.04 0.16 -0.13 0.00 0.00 0.00 0.00 174.94 174.93 1tlm s ALA 108 N 2.05 2.81 -0.04 9.38 0.00 -0.52 -1.99 121.76 133.45 1tlm s ALA 108 Ca 0.14 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1tlm s ALA 108 Cb -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1tlm s ALA 108 CO 0.10 0.61 -0.12 0.00 0.00 0.00 0.00 175.76 176.34 1tlm s ALA 109 N -1.06 1.15 -0.17 0.00 0.00 -0.45 -1.93 121.76 119.29 1tlm s ALA 109 Ca 0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1tlm s ALA 109 Cb -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1tlm s ALA 109 CO 0.09 0.19 -0.15 -1.17 0.00 0.00 0.00 175.76 174.72 1tlm s LEU 110 N 0.19 2.46 -0.10 0.00 2.96 -0.29 -1.01 118.68 122.89 1tlm s LEU 110 Ca -0.05 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1tlm s LEU 110 Cb -0.11 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1tlm s LEU 110 CO 0.01 0.05 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.29 1tlm s LEU 111 N 1.01 3.26 0.18 -0.68 1.43 -0.16 -2.08 118.68 121.65 1tlm s LEU 111 Ca -0.01 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1tlm s LEU 111 Cb -0.15 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1tlm s LEU 111 CO -0.03 0.30 0.01 -0.44 0.23 0.00 0.00 176.35 176.42 1tlm s SER 112 N -0.45 1.20 0.24 2.29 0.01 -0.35 -1.38 113.70 115.27 1tlm s SER 112 Ca 0.07 -1.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.10 1tlm s SER 112 Cb -0.12 0.12 0.28 0.00 0.21 0.00 0.00 66.02 66.51 1tlm s SER 112 CO 0.02 -0.58 1.76 -0.65 0.41 0.00 0.00 173.24 174.20 1tlm h PRO 113 N 2.67 0.92 -0.36 12.44 0.11 -2.00 -3.08 132.00 142.71 1tlm h PRO 113 Ca -0.37 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1tlm h PRO 113 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tlm h PRO 113 CO 0.62 0.86 0.00 0.66 -0.21 0.00 0.00 178.00 179.93 1tlm n TYR 114 N -4.24 0.55 -3.55 0.65 4.02 -1.26 -1.42 117.16 111.91 1tlm n TYR 114 Ca 0.04 -0.54 -0.14 0.00 -0.01 0.00 0.00 57.90 57.25 1tlm n TYR 114 Cb 0.27 -0.06 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 1tlm n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tlm s SER 115 N -1.09 -0.47 0.07 7.72 0.15 -1.16 -4.96 113.70 113.96 1tlm s SER 115 Ca 0.27 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.98 1tlm s SER 115 Cb 0.15 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1tlm s SER 115 CO 0.16 -0.75 0.24 -0.72 1.20 0.00 0.00 173.24 173.36 1tlm s TYR 116 N -2.60 0.04 0.06 3.44 -0.85 -1.26 -1.21 117.35 114.98 1tlm s TYR 116 Ca -0.04 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.20 1tlm s TYR 116 Cb -0.01 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 1tlm s TYR 116 CO -0.03 -0.53 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.78 1tlm s SER 117 N -2.54 1.77 0.05 -0.18 1.04 -0.88 -4.98 113.70 107.97 1tlm s SER 117 Ca 0.01 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1tlm s SER 117 Cb 0.02 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1tlm s SER 117 CO -0.08 -0.02 -0.10 0.28 0.98 0.00 0.00 173.24 174.30 1tlm s THR 118 N -1.11 0.73 0.04 2.02 -1.32 -1.26 -1.14 115.64 113.60 1tlm s THR 118 Ca 0.00 -1.06 -0.05 0.00 -1.21 0.00 0.00 61.69 59.36 1tlm s THR 118 Cb -0.09 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 1tlm s THR 118 CO 0.02 -0.27 0.09 0.28 -2.21 0.00 0.00 174.62 172.54 1tlm s THR 119 N -1.20 0.14 -0.00 5.08 -1.32 -0.81 -4.99 115.64 112.53 1tlm s THR 119 Ca -0.06 -1.16 0.06 0.00 -1.21 0.00 0.00 61.69 59.32 1tlm s THR 119 Cb -0.09 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1tlm s THR 119 CO 0.01 -0.64 -0.18 0.00 -2.21 0.00 0.00 174.62 171.60 1tlm s ALA 120 N -2.83 2.56 -0.22 11.08 0.00 -1.26 -1.44 121.76 129.65 1tlm s ALA 120 Ca -0.03 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1tlm s ALA 120 Cb 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.36 1tlm s ALA 120 CO -0.06 0.56 -0.16 0.08 0.00 0.00 0.00 175.76 176.19 1tlm s VAL 121 N -0.81 2.11 -0.28 0.00 1.01 0.55 -4.99 120.40 117.99 1tlm s VAL 121 Ca 0.13 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 1tlm s VAL 121 Cb -0.10 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1tlm s VAL 121 CO 0.03 0.28 0.07 -0.69 0.00 0.00 0.00 175.10 174.79 1tlm s VAL 122 N 1.20 4.05 0.32 2.92 1.01 -1.26 -1.44 120.40 127.22 1tlm s VAL 122 Ca -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1tlm s VAL 122 Cb -0.16 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1tlm s VAL 122 CO -0.09 0.18 0.33 0.42 0.00 0.00 0.00 175.10 175.93 1tlm s THR 123 N 1.54 0.00 -0.24 3.92 -4.23 -0.14 -4.96 115.64 111.53 1tlm s THR 123 Ca 0.04 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 58.46 1tlm s THR 123 Cb -0.16 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.20 1tlm s THR 123 CO 0.02 0.00 0.62 0.54 -0.54 0.00 0.00 174.62 175.27 1tlm s ASN 124 N -3.32 -0.68 0.02 3.99 2.20 -1.26 -1.05 114.94 114.85 1tlm s ASN 124 Ca 0.38 1.27 -0.08 0.00 -0.94 0.00 0.00 52.86 53.49 1tlm s ASN 124 Cb 0.02 1.27 -0.04 0.00 -2.00 0.00 0.00 41.25 40.50 1tlm s ASN 124 CO 0.24 -0.22 1.12 -0.65 -2.94 0.00 0.00 177.10 174.66 1tlm h PRO 125 N 5.41 -0.19 0.00 3.55 0.11 -2.01 -3.48 132.00 135.38 1tlm h PRO 125 Ca -0.29 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.62 1tlm h PRO 125 Cb 1.17 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1tlm h PRO 125 CO 0.12 -0.13 -0.10 1.63 -0.21 0.00 0.00 178.00 179.31 1tlm n LYS 126 N -3.05 0.57 0.00 1.05 5.02 -1.26 -5.25 118.16 115.24 1tlm n LYS 126 Ca -0.02 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1tlm n LYS 126 Cb 0.10 2.12 0.00 0.00 -0.02 0.00 0.00 35.03 37.23 1tlm n LYS 126 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03