#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i85 n LYS 2 N 0.00 0.84 0.00 -1.46 0.00 -1.26 -4.69 118.16 111.59 2i85 n LYS 2 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.65 2i85 n LYS 2 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 32.68 2i85 n LYS 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2i85 n SER 3 N -1.64 0.00 0.00 3.14 2.88 -1.09 -4.98 113.62 111.93 2i85 n SER 3 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2i85 n SER 3 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2i85 n SER 3 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2i85 n ILE 4 N -1.43 0.00 -2.75 2.46 -0.00 -1.26 -5.00 119.36 111.38 2i85 n ILE 4 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.73 2i85 n ILE 4 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.64 39.48 2i85 n ILE 4 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 2i85 n VAL 5 N -1.80-10.55 -4.52 7.28 0.31 -1.26 -5.04 118.33 102.74 2i85 n VAL 5 Ca 0.00 1.97 -0.25 0.00 -0.01 0.00 0.00 64.34 66.05 2i85 n VAL 5 Cb 0.00 -6.03 -0.10 0.00 -0.91 0.00 0.00 33.84 26.80 2i85 n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2i85 s LEU 6 N -1.02 2.69 -0.47 7.52 2.01 -1.10 -5.00 118.68 123.31 2i85 s LEU 6 Ca -0.12 -1.18 0.03 0.00 0.01 0.00 0.00 54.13 52.86 2i85 s LEU 6 Cb 0.01 -0.96 0.15 0.00 0.01 0.00 0.00 46.19 45.40 2i85 s LEU 6 CO 0.65 -0.20 0.31 -1.61 1.01 0.00 0.00 176.35 176.51 2i85 s GLU 7 N -3.62 1.32 0.09 1.70 8.01 -1.26 -3.81 118.70 121.13 2i85 s GLU 7 Ca 0.32 -2.21 -0.20 0.00 0.01 0.00 0.00 54.97 52.89 2i85 s GLU 7 Cb 0.02 -2.17 -0.09 0.00 -4.31 0.00 0.00 34.13 27.58 2i85 s GLU 7 CO 0.16 -1.25 1.59 -1.00 0.01 0.00 0.00 175.26 174.77 2i85 h PRO 8 N 6.21 0.33 -4.44 0.39 0.13 -1.93 -3.42 132.00 129.29 2i85 h PRO 8 Ca 0.10 -0.08 -0.63 0.00 -0.87 0.00 0.00 66.00 64.53 2i85 h PRO 8 Cb 0.89 -0.05 -0.38 0.00 0.13 0.00 0.00 31.00 31.60 2i85 h PRO 8 CO 0.47 0.44 -0.78 0.42 -0.23 0.00 0.00 178.00 178.32 2i85 s ILE 9 N -5.36 1.69 -0.27 -3.56 -1.09 -1.05 -4.32 121.20 107.25 2i85 s ILE 9 Ca -0.14 -1.44 0.12 0.00 -2.23 0.00 0.00 60.65 56.96 2i85 s ILE 9 Cb 0.07 -1.98 0.47 0.00 -1.58 0.00 0.00 42.46 39.44 2i85 s ILE 9 CO 0.72 -0.19 1.17 0.00 -1.23 0.00 0.00 174.94 175.41 2i85 n TYR 10 N 4.59 2.12 -1.42 3.97 9.36 -1.25 -0.32 117.16 134.21 2i85 n TYR 10 Ca -0.10 -2.13 -0.03 0.00 3.32 0.00 0.00 57.90 58.96 2i85 n TYR 10 Cb 0.43 -0.30 -0.01 0.00 -0.63 0.00 0.00 39.34 38.83 2i85 n TYR 10 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 2i85 n TRP 11 N -0.67 -1.08 -0.75 2.98 4.27 -0.34 -4.83 117.44 117.02 2i85 n TRP 11 Ca 0.31 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.72 2i85 n TRP 11 Cb 0.91 -1.41 0.10 0.00 -1.36 0.00 0.00 31.31 29.55 2i85 n TRP 11 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2i85 n ASN 12 N 0.11 4.84 0.00 -0.67 2.85 -1.26 -4.85 115.26 116.29 2i85 n ASN 12 Ca -0.03 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.22 2i85 n ASN 12 Cb 0.21 -0.85 0.00 0.00 1.24 0.00 0.00 39.78 40.38 2i85 n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2i85 n SER 13 N -0.48 0.00 -3.82 1.20 7.64 -1.26 -4.75 113.62 112.15 2i85 n SER 13 Ca 0.43 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 60.06 2i85 n SER 13 Cb 1.05 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.18 2i85 n SER 13 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2i85 s SER 14 N 0.00 2.64 0.31 6.43 0.01 -1.26 -5.12 113.70 116.71 2i85 s SER 14 Ca 0.00 -1.76 0.08 0.00 1.31 0.00 0.00 55.95 55.58 2i85 s SER 14 Cb 0.00 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 2i85 s SER 14 CO 0.00 -1.03 0.11 0.20 0.41 0.00 0.00 173.24 172.94 2i85 s ASN 15 N -3.57 4.73 0.24 2.44 0.01 -1.26 -4.75 114.94 112.77 2i85 s ASN 15 Ca 0.26 -0.69 -0.04 0.00 -0.71 0.00 0.00 52.86 51.68 2i85 s ASN 15 Cb 0.01 -0.81 0.27 0.00 0.41 0.00 0.00 41.25 41.12 2i85 s ASN 15 CO 0.19 -0.21 1.74 0.77 -1.51 0.00 0.00 177.10 178.08 2i85 h SER 16 N 1.62 0.85 0.91 -1.22 4.64 -1.80 -2.84 113.55 115.71 2i85 h SER 16 Ca -0.44 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2i85 h SER 16 Cb 1.25 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2i85 h SER 16 CO 0.62 0.90 -0.19 0.29 -0.87 0.00 0.00 176.83 177.58 2i85 n LYS 17 N -4.21 0.05 -1.74 4.77 4.76 -1.26 -4.82 118.16 115.71 2i85 n LYS 17 Ca 0.03 0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2i85 n LYS 17 Cb 0.30 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 2i85 n LYS 17 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2i85 s PHE 18 N -3.02 1.32 0.49 2.13 2.19 -1.07 -4.32 117.98 115.69 2i85 s PHE 18 Ca 0.12 1.36 0.00 0.00 0.33 0.00 0.00 56.93 58.74 2i85 s PHE 18 Cb 0.17 -3.73 0.00 0.00 -1.31 0.00 0.00 43.02 38.15 2i85 s PHE 18 CO 0.60 -2.16 0.00 1.28 1.83 0.00 0.00 175.22 176.77 2i85 n LEU 19 N 15.55 -4.34 -4.79 6.12 4.77 -1.24 -4.81 117.00 128.26 2i85 n LEU 19 Ca 0.36 0.94 -0.34 0.00 -0.03 0.00 0.00 56.01 56.93 2i85 n LEU 19 Cb 0.51 4.02 -0.02 0.00 -2.33 0.00 0.00 43.42 45.59 2i85 n LEU 19 CO 0.66 0.32 0.74 -2.16 -1.33 0.00 0.00 177.39 175.62 2i85 s PRO 20 N -1.99 3.62 0.28 3.23 0.04 -1.26 -4.95 135.00 133.97 2i85 s PRO 20 Ca 0.00 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.52 2i85 s PRO 20 Cb 0.00 -2.06 0.64 0.00 0.04 0.00 0.00 34.50 33.12 2i85 s PRO 20 CO 0.00 -0.60 1.70 0.78 0.04 0.00 0.00 177.00 178.92 2i85 h GLY 21 N 1.42 1.38 0.48 0.56 0.00 -1.92 -0.78 103.07 104.22 2i85 h GLY 21 Ca -0.50 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 46.70 2i85 h GLY 21 CO 0.58 -0.23 0.75 1.46 0.00 0.00 0.00 176.54 179.10 2i85 h GLN 22 N 0.38 0.00 0.00 4.80 4.20 -1.80 -3.33 115.11 119.36 2i85 h GLN 22 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 2i85 h GLN 22 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2i85 h GLN 22 CO -0.51 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.06 2i85 n GLY 23 N -1.40 1.75 2.97 3.46 0.00 -0.30 -3.78 105.19 107.89 2i85 n GLY 23 Ca -0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2i85 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i85 s LEU 24 N 0.00 1.15 -0.09 0.99 0.20 -1.10 -3.72 118.68 116.13 2i85 s LEU 24 Ca 0.00 0.28 0.01 0.00 0.69 0.00 0.00 54.13 55.11 2i85 s LEU 24 Cb 0.00 0.41 -0.02 0.00 -0.43 0.00 0.00 46.19 46.15 2i85 s LEU 24 CO 0.00 -0.09 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.17 2i85 s VAL 25 N 0.56 3.34 -0.01 1.68 1.01 -1.26 -2.95 120.40 122.78 2i85 s VAL 25 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2i85 s VAL 25 Cb -0.06 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2i85 s VAL 25 CO -0.03 0.57 0.13 -0.76 0.00 0.00 0.00 175.10 175.01 2i85 s LEU 26 N -0.37 4.11 0.01 3.92 2.01 -0.57 -4.97 118.68 122.82 2i85 s LEU 26 Ca 0.05 0.23 -0.30 0.00 0.01 0.00 0.00 54.13 54.12 2i85 s LEU 26 Cb -0.12 -2.43 -0.06 0.00 0.01 0.00 0.00 46.19 43.59 2i85 s LEU 26 CO 0.02 0.27 1.45 -0.31 1.01 0.00 0.00 176.35 178.79 2i85 s TYR 27 N -1.26 2.75 -1.58 0.29 1.51 -1.26 -4.59 117.35 113.22 2i85 s TYR 27 Ca 0.25 0.72 -0.10 0.00 -1.01 0.00 0.00 57.07 56.93 2i85 s TYR 27 Cb -0.12 -3.72 -0.05 0.00 -0.11 0.00 0.00 41.96 37.95 2i85 s TYR 27 CO 0.16 -2.72 2.85 -0.35 -1.11 0.00 0.00 175.55 174.38 2i85 n PRO 28 N 5.48 3.78 -3.92 -1.71 -0.04 -1.26 -4.86 135.00 132.47 2i85 n PRO 28 Ca 0.14 -2.40 -0.30 0.00 -0.04 0.00 0.00 63.50 60.90 2i85 n PRO 28 Cb 0.43 -2.80 -0.16 0.00 -0.04 0.00 0.00 33.50 30.93 2i85 n PRO 28 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2i85 s GLN 29 N 1.78 1.54 -0.24 0.54 -1.52 -1.26 -4.75 119.66 115.74 2i85 s GLN 29 Ca 0.67 -0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 2i85 s GLN 29 Cb 0.18 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 30.44 2i85 s GLN 29 CO -0.07 -0.58 1.83 0.42 -0.25 0.00 0.00 175.29 176.65 2i85 s ILE 30 N 1.46 3.42 0.00 1.08 -1.09 -1.26 -2.50 121.20 122.31 2i85 s ILE 30 Ca -0.05 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 2i85 s ILE 30 Cb -0.18 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2i85 s ILE 30 CO -0.07 -0.26 0.00 0.61 -1.23 0.00 0.00 174.94 173.99 2i85 n GLY 31 N 5.18 1.24 3.84 6.18 0.00 0.49 -5.00 105.19 117.12 2i85 n GLY 31 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2i85 n GLY 31 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i85 s ASP 32 N -0.67 2.87 0.09 1.61 1.47 -1.04 -2.69 116.67 118.31 2i85 s ASP 32 Ca 0.00 0.49 -0.13 0.00 1.18 0.00 0.00 52.55 54.09 2i85 s ASP 32 Cb 0.00 -0.69 0.02 0.00 -0.34 0.00 0.00 42.92 41.90 2i85 s ASP 32 CO 0.00 -2.91 0.30 -1.59 0.68 0.00 0.00 175.17 171.66 2i85 s LYS 33 N -5.68 0.92 -0.06 2.11 -2.85 -1.26 -0.84 119.74 112.08 2i85 s LYS 33 Ca 0.71 -0.73 -0.03 0.00 -1.00 0.00 0.00 55.97 54.92 2i85 s LYS 33 Cb -0.07 0.39 0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2i85 s LYS 33 CO 0.53 -0.32 0.12 -0.48 0.10 0.00 0.00 175.35 175.30 2i85 s LEU 34 N -2.60 0.13 -0.03 2.77 2.34 -0.10 -2.71 118.68 118.50 2i85 s LEU 34 Ca 0.01 0.23 -0.07 0.00 0.06 0.00 0.00 54.13 54.36 2i85 s LEU 34 Cb 0.02 0.12 -0.05 0.00 -0.56 0.00 0.00 46.19 45.73 2i85 s LEU 34 CO -0.09 -0.23 0.24 1.51 -1.06 0.00 0.00 176.35 176.72 2i85 s ASP 35 N 2.08 6.48 -0.27 1.48 1.47 -1.25 -1.71 116.67 124.95 2i85 s ASP 35 Ca 0.02 0.55 0.01 0.00 1.18 0.00 0.00 52.55 54.30 2i85 s ASP 35 Cb -0.12 -2.09 0.08 0.00 -0.34 0.00 0.00 42.92 40.45 2i85 s ASP 35 CO -0.05 0.30 0.01 -0.51 0.68 0.00 0.00 175.17 175.60 2i85 s ILE 36 N -1.22 1.44 -0.04 2.11 2.07 0.53 -2.52 121.20 123.57 2i85 s ILE 36 Ca 0.24 -1.44 0.05 0.00 -1.41 0.00 0.00 60.65 58.09 2i85 s ILE 36 Cb -0.13 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 2i85 s ILE 36 CO 0.13 -0.36 -0.20 -0.63 -1.91 0.00 0.00 174.94 171.98 2i85 s ILE 37 N 1.39 1.62 0.01 2.00 1.01 0.56 -0.99 121.20 126.80 2i85 s ILE 37 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2i85 s ILE 37 Cb -0.18 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2i85 s ILE 37 CO -0.12 0.46 -0.02 0.00 0.00 0.00 0.00 174.94 175.26 2i85 s PRO 39 N -0.73 0.82 -0.23 0.00 0.04 -1.26 -2.51 135.00 131.13 2i85 s PRO 39 Ca -0.07 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.09 2i85 s PRO 39 Cb -0.05 -1.81 -0.17 0.00 0.04 0.00 0.00 34.50 32.51 2i85 s PRO 39 CO -0.00 -2.40 -0.09 1.17 0.04 0.00 0.00 177.00 175.71 2i85 n LYS 40 N -3.89 0.63 -1.88 4.56 0.00 -1.26 -4.53 118.16 111.79 2i85 n LYS 40 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 58.31 58.67 2i85 n LYS 40 Cb 0.59 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.04 2i85 n LYS 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i85 n VAL 41 N -3.84-11.72 0.06 3.15 0.31 -1.26 -4.92 118.33 100.11 2i85 n VAL 41 Ca -0.44 2.84 0.00 0.00 -0.01 0.00 0.00 64.34 66.73 2i85 n VAL 41 Cb 0.91 -5.12 0.00 0.00 -0.91 0.00 0.00 33.84 28.72 2i85 n VAL 41 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2i85 n ASP 42 N 1.58 -1.11 0.10 4.52 9.92 -1.26 -4.92 116.55 125.38 2i85 n ASP 42 Ca 0.00 0.48 -0.23 0.00 -0.53 0.00 0.00 54.79 54.51 2i85 n ASP 42 Cb 0.00 1.31 -0.15 0.00 -0.64 0.00 0.00 41.12 41.64 2i85 n ASP 42 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2i85 h SER 43 N 0.00 0.66 0.68 -2.24 0.87 -2.04 -3.33 113.55 108.15 2i85 h SER 43 Ca 0.00 -0.93 -0.24 0.00 -1.23 0.00 0.00 61.79 59.40 2i85 h SER 43 Cb 0.00 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 2i85 h SER 43 CO 0.00 1.61 -1.45 0.11 -0.53 0.00 0.00 176.83 176.56 2i85 h LYS 44 N -0.07 0.00 0.00 2.24 1.79 -2.03 -3.48 116.57 115.01 2i85 h LYS 44 Ca -0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2i85 h LYS 44 Cb 1.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.60 2i85 h LYS 44 CO 0.21 0.52 0.00 2.41 -1.08 0.00 0.00 179.45 181.50 2i85 n THR 45 N -3.06 0.00 -3.25 -0.16 -1.04 -1.25 -4.46 114.28 101.05 2i85 n THR 45 Ca -0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.70 2i85 n THR 45 Cb 0.96 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.46 2i85 n THR 45 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2i85 n VAL 46 N -1.64 -0.57 -0.79 12.58 0.24 -1.26 -0.01 118.33 126.88 2i85 n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2i85 n VAL 46 Cb 0.00 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 2i85 n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i85 n GLY 47 N -0.96 0.69 1.67 7.63 0.00 -1.26 -4.71 105.19 108.24 2i85 n GLY 47 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2i85 n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i85 n GLN 48 N -2.56 -1.74 -4.45 1.61 3.00 0.98 -5.12 117.38 109.10 2i85 n GLN 48 Ca 0.00 1.61 -0.26 0.00 -0.01 0.00 0.00 57.00 58.34 2i85 n GLN 48 Cb 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 30.24 27.94 2i85 n GLN 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2i85 s TYR 49 N -0.22 2.51 0.59 1.08 5.04 -1.25 -5.17 117.35 119.92 2i85 s TYR 49 Ca -0.05 -0.54 0.08 0.00 -2.44 0.00 0.00 57.07 54.12 2i85 s TYR 49 Cb 0.00 -1.61 0.09 0.00 0.35 0.00 0.00 41.96 40.79 2i85 s TYR 49 CO 0.13 0.46 0.81 -1.21 -1.34 0.00 0.00 175.55 174.40 2i85 s GLU 50 N -3.71 2.25 -0.23 4.97 8.01 -1.26 -5.11 118.70 123.62 2i85 s GLU 50 Ca 0.35 -1.55 -0.09 0.00 0.01 0.00 0.00 54.97 53.69 2i85 s GLU 50 Cb 0.04 -2.61 -0.04 0.00 -4.31 0.00 0.00 34.13 27.21 2i85 s GLU 50 CO 0.19 -0.91 0.12 0.71 0.01 0.00 0.00 175.26 175.37 2i85 s TYR 51 N -2.71 3.25 0.20 1.61 2.02 -1.26 -4.96 117.35 115.50 2i85 s TYR 51 Ca 0.62 0.06 0.09 0.00 -0.37 0.00 0.00 57.07 57.47 2i85 s TYR 51 Cb -0.06 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2i85 s TYR 51 CO 0.39 0.00 -0.08 0.71 -1.57 0.00 0.00 175.55 175.01 2i85 s TYR 52 N 0.99 2.65 -0.13 2.71 2.02 -0.96 -4.47 117.35 120.16 2i85 s TYR 52 Ca 0.06 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 2i85 s TYR 52 Cb -0.14 -1.27 0.04 0.00 -0.40 0.00 0.00 41.96 40.19 2i85 s TYR 52 CO 0.03 0.54 0.38 -1.59 -1.57 0.00 0.00 175.55 173.34 2i85 s LYS 53 N -3.00 0.47 -0.32 -0.62 0.00 -1.26 -0.97 119.74 114.03 2i85 s LYS 53 Ca 0.26 0.46 -0.07 0.00 0.00 0.00 0.00 55.97 56.62 2i85 s LYS 53 Cb -0.08 0.23 0.02 0.00 0.00 0.00 0.00 37.83 38.00 2i85 s LYS 53 CO 0.16 -0.07 0.11 0.08 0.00 0.00 0.00 175.35 175.63 2i85 s VAL 54 N 0.04 3.98 0.07 1.79 1.01 -0.07 -3.95 120.40 123.28 2i85 s VAL 54 Ca -0.01 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2i85 s VAL 54 Cb -0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2i85 s VAL 54 CO 0.01 -0.07 -0.21 -0.47 0.00 0.00 0.00 175.10 174.36 2i85 s TYR 55 N 1.47 1.79 -0.40 5.22 5.04 -0.89 -2.25 117.35 127.32 2i85 s TYR 55 Ca 0.01 -0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 54.03 2i85 s TYR 55 Cb -0.18 -1.02 0.01 0.00 0.35 0.00 0.00 41.96 41.12 2i85 s TYR 55 CO 0.03 0.15 0.69 1.41 -1.34 0.00 0.00 175.55 176.49 2i85 s MET 56 N -1.56 3.51 0.37 4.97 -2.45 -1.26 -0.95 119.30 121.94 2i85 s MET 56 Ca 0.07 -0.07 0.06 0.00 -1.25 0.00 0.00 55.69 54.49 2i85 s MET 56 Cb -0.09 -3.88 -0.07 0.00 1.25 0.00 0.00 34.83 32.03 2i85 s MET 56 CO 0.03 -0.92 0.02 0.54 1.05 0.00 0.00 175.02 175.75 2i85 s VAL 57 N 2.92 1.68 0.66 10.11 0.11 -0.25 -4.98 120.40 130.65 2i85 s VAL 57 Ca 0.26 -2.01 -0.13 0.00 -2.93 0.00 0.00 61.98 57.17 2i85 s VAL 57 Cb -0.14 -2.89 -0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2i85 s VAL 57 CO 0.18 -0.02 1.07 -1.81 -3.33 0.00 0.00 175.10 171.19 2i85 s ASP 58 N -3.61 5.40 0.28 3.54 1.01 -1.26 -4.13 116.67 117.89 2i85 s ASP 58 Ca 0.35 1.76 0.01 0.00 0.71 0.00 0.00 52.55 55.39 2i85 s ASP 58 Cb 0.09 -2.52 0.56 0.00 1.01 0.00 0.00 42.92 42.07 2i85 s ASP 58 CO 0.17 -1.43 1.82 0.07 0.21 0.00 0.00 175.17 176.01 2i85 h LYS 59 N -0.24 0.89 -0.28 8.23 2.10 -1.97 0.25 116.57 125.54 2i85 h LYS 59 Ca -0.45 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.05 2i85 h LYS 59 Cb 1.22 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 2i85 h LYS 59 CO 0.56 0.59 -0.21 0.22 -2.00 0.00 0.00 179.45 178.61 2i85 h ASP 60 N 0.91 0.67 0.56 7.07 3.58 -1.99 -2.99 116.42 124.23 2i85 h ASP 60 Ca 0.50 -0.44 -0.13 0.00 0.42 0.00 0.00 57.03 57.37 2i85 h ASP 60 Cb 0.55 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2i85 h ASP 60 CO -0.29 0.97 -0.62 1.56 -2.88 0.00 0.00 179.24 177.98 2i85 h GLN 61 N 0.38 0.05 0.00 0.28 4.20 -1.76 -0.34 115.11 117.92 2i85 h GLN 61 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2i85 h GLN 61 Cb 0.75 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2i85 h GLN 61 CO 0.06 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 2i85 n ALA 62 N -2.43 1.29 -0.07 3.87 0.00 0.81 -0.98 120.51 123.01 2i85 n ALA 62 Ca -0.01 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 2i85 n ALA 62 Cb 0.62 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 2i85 n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2i85 n ASP 63 N -1.74 1.62 0.20 0.00 2.03 -0.57 -4.46 116.55 113.63 2i85 n ASP 63 Ca 0.01 -0.01 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2i85 n ASP 63 Cb 0.09 0.74 0.38 0.00 -0.72 0.00 0.00 41.12 41.61 2i85 n ASP 63 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2i85 h ARG 64 N 0.00 0.00 -4.55 -0.67 3.08 -0.92 -3.46 114.38 107.85 2i85 h ARG 64 Ca -0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 2i85 h ARG 64 Cb 1.85 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.94 2i85 h ARG 64 CO 0.01 0.29 -0.19 0.00 -1.07 0.00 0.00 179.97 179.02 2i85 s THR 66 N -3.09 -0.01 0.08 0.00 -4.23 -1.16 -1.03 115.64 106.21 2i85 s THR 66 Ca 0.10 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.72 2i85 s THR 66 Cb -0.01 -0.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 2i85 s THR 66 CO 0.48 0.01 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.70 2i85 s ILE 67 N 0.14 2.02 -0.09 2.99 -1.09 -0.96 -4.71 121.20 119.51 2i85 s ILE 67 Ca -0.01 -1.50 -0.19 0.00 -2.23 0.00 0.00 60.65 56.72 2i85 s ILE 67 Cb -0.02 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 2i85 s ILE 67 CO -0.00 0.18 0.53 -0.54 -1.23 0.00 0.00 174.94 173.88 2i85 s LYS 68 N -1.60 4.35 0.41 2.79 -0.14 -1.26 -4.69 119.74 119.60 2i85 s LYS 68 Ca 0.11 0.57 0.29 0.00 -1.36 0.00 0.00 55.97 55.57 2i85 s LYS 68 Cb -0.10 -3.42 1.39 0.00 -1.68 0.00 0.00 37.83 34.02 2i85 s LYS 68 CO 0.04 0.18 1.87 1.57 -0.76 0.00 0.00 175.35 178.24 2i85 h LYS 69 N 6.56 0.00 0.00 1.68 5.09 -2.01 -1.29 116.57 126.60 2i85 h LYS 69 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.32 2i85 h LYS 69 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.52 2i85 h LYS 69 CO 0.74 0.00 0.00 -0.85 -2.09 0.00 0.00 179.45 177.25 2i85 n GLU 70 N -2.55 0.43 -0.61 0.07 0.28 -1.26 -4.83 120.64 112.17 2i85 n GLU 70 Ca -0.00 0.05 -0.31 0.00 -0.16 0.00 0.00 57.16 56.75 2i85 n GLU 70 Cb 0.15 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.71 2i85 n GLU 70 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2i85 n ASN 71 N -1.13 -1.48 0.00 -1.84 0.23 -0.49 -4.87 115.26 105.68 2i85 n ASN 71 Ca 0.11 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2i85 n ASN 71 Cb 0.10 -1.23 0.00 0.00 -2.08 0.00 0.00 39.78 36.56 2i85 n ASN 71 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2i85 n THR 72 N -4.49 0.00 0.12 5.53 -1.04 -1.26 -5.02 114.28 108.11 2i85 n THR 72 Ca 0.05 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2i85 n THR 72 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2i85 n THR 72 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2i85 n PRO 73 N 0.00 1.01 -4.53 -2.82 -0.04 -1.26 -4.81 135.00 122.56 2i85 n PRO 73 Ca 0.00 -0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.15 2i85 n PRO 73 Cb 0.00 -1.01 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2i85 n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i85 n LEU 74 N 1.06 0.00 -4.90 1.53 7.99 -1.26 -5.10 117.00 116.32 2i85 n LEU 74 Ca 0.01 -3.17 -0.33 0.00 -0.01 0.00 0.00 56.01 52.51 2i85 n LEU 74 Cb 0.51 0.76 -0.05 0.00 -0.11 0.00 0.00 43.42 44.52 2i85 n LEU 74 CO 0.01 -0.47 -0.12 -0.22 -1.51 0.00 0.00 177.39 175.07 2i85 s LEU 75 N 0.00 4.36 -0.47 2.23 0.20 -0.95 -5.01 118.68 119.04 2i85 s LEU 75 Ca 0.12 0.41 0.03 0.00 0.69 0.00 0.00 54.13 55.37 2i85 s LEU 75 Cb 0.01 -2.70 0.15 0.00 -0.43 0.00 0.00 46.19 43.22 2i85 s LEU 75 CO 0.09 0.24 0.29 0.20 -0.29 0.00 0.00 176.35 176.88 2i85 s ASN 76 N -1.95 3.36 -0.07 3.68 0.01 -1.26 -0.89 114.94 117.82 2i85 s ASN 76 Ca 0.29 -2.84 -0.00 0.00 -0.71 0.00 0.00 52.86 49.59 2i85 s ASN 76 Cb -0.13 -0.96 -0.01 0.00 0.41 0.00 0.00 41.25 40.57 2i85 s ASN 76 CO 0.19 -0.23 1.01 0.00 -1.51 0.00 0.00 177.10 176.56 2i85 n ALA 78 N 4.47 0.00 -1.17 0.00 0.00 -1.24 -2.27 120.51 120.30 2i85 n ALA 78 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2i85 n ALA 78 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 2i85 n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2i85 n LYS 79 N -2.06 -2.21 -0.02 0.00 4.01 -1.21 -4.60 118.16 112.07 2i85 n LYS 79 Ca 0.00 1.64 -0.13 0.00 -0.51 0.00 0.00 58.31 59.31 2i85 n LYS 79 Cb 0.00 -2.78 -0.11 0.00 -0.51 0.00 0.00 35.03 31.63 2i85 n LYS 79 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2i85 h PRO 80 N -1.26 -0.02 -0.08 1.97 0.13 -1.96 -3.43 132.00 127.35 2i85 h PRO 80 Ca -0.05 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.84 2i85 h PRO 80 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 2i85 h PRO 80 CO 0.03 0.59 -0.50 -3.47 -0.23 0.00 0.00 178.00 174.43 2i85 n ASP 81 N -4.80 -2.57 -3.71 1.44 -0.08 -1.26 -5.06 116.55 100.51 2i85 n ASP 81 Ca -0.09 -3.44 -0.12 0.00 -1.51 0.00 0.00 54.79 49.63 2i85 n ASP 81 Cb 0.31 1.78 -0.10 0.00 2.34 0.00 0.00 41.12 45.45 2i85 n ASP 81 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2i85 s GLN 82 N 0.44 0.48 0.23 -0.67 0.74 -1.26 -5.14 119.66 114.47 2i85 s GLN 82 Ca 0.28 0.70 -0.32 0.00 0.05 0.00 0.00 55.36 56.07 2i85 s GLN 82 Cb 0.25 0.15 -0.13 0.00 1.10 0.00 0.00 33.01 34.38 2i85 s GLN 82 CO -0.17 -0.10 1.54 -3.47 -0.55 0.00 0.00 175.29 172.54 2i85 n ASP 83 N 3.39 3.26 -4.73 6.67 2.03 -1.26 -4.61 116.55 121.30 2i85 n ASP 83 Ca -0.17 1.12 -0.37 0.00 0.52 0.00 0.00 54.79 55.89 2i85 n ASP 83 Cb 0.56 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 2i85 n ASP 83 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2i85 s ILE 84 N 0.38 5.28 -0.14 5.18 1.09 -1.04 -5.01 121.20 126.94 2i85 s ILE 84 Ca 0.71 0.63 -0.06 0.00 -1.10 0.00 0.00 60.65 60.83 2i85 s ILE 84 Cb -0.60 -3.67 0.06 0.00 -1.06 0.00 0.00 42.46 37.19 2i85 s ILE 84 CO 0.44 0.38 0.30 -0.75 -0.10 0.00 0.00 174.94 175.21 2i85 s LYS 85 N 0.45 0.23 -0.02 2.79 2.20 -1.25 -1.07 119.74 123.06 2i85 s LYS 85 Ca 0.19 0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 56.50 2i85 s LYS 85 Cb -0.13 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.18 2i85 s LYS 85 CO 0.05 -0.22 0.05 -0.06 -0.36 0.00 0.00 175.35 174.81 2i85 s PHE 86 N 1.91 -0.05 -0.12 4.03 0.40 -0.16 -5.00 117.98 118.99 2i85 s PHE 86 Ca -0.04 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 2i85 s PHE 86 Cb -0.11 0.01 0.04 0.00 0.51 0.00 0.00 43.02 43.46 2i85 s PHE 86 CO -0.10 -0.03 -0.01 -0.08 0.70 0.00 0.00 175.22 175.70 2i85 s THR 87 N 0.10 0.61 -0.08 0.64 -1.32 -1.26 -0.35 115.64 113.97 2i85 s THR 87 Ca -0.01 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 2i85 s THR 87 Cb -0.01 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.14 2i85 s THR 87 CO -0.00 0.16 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.78 2i85 s ILE 88 N 1.86 2.91 0.01 5.08 1.09 -0.69 -4.99 121.20 126.47 2i85 s ILE 88 Ca 0.03 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.88 2i85 s ILE 88 Cb -0.14 -2.16 -0.03 0.00 -1.06 0.00 0.00 42.46 39.07 2i85 s ILE 88 CO -0.07 0.56 -0.11 -1.59 -0.10 0.00 0.00 174.94 173.64 2i85 s LYS 89 N -0.21 2.40 -1.21 2.79 -2.85 -1.26 -0.92 119.74 118.47 2i85 s LYS 89 Ca 0.00 -0.80 -0.10 0.00 -1.00 0.00 0.00 55.97 54.07 2i85 s LYS 89 Cb -0.13 -2.39 0.20 0.00 -2.06 0.00 0.00 37.83 33.45 2i85 s LYS 89 CO 0.03 0.58 1.58 1.19 0.10 0.00 0.00 175.35 178.84 2i85 n PHE 90 N 1.63 3.77 -2.42 1.78 3.01 -0.02 -4.86 117.46 120.35 2i85 n PHE 90 Ca -0.16 -3.08 -0.24 0.00 1.01 0.00 0.00 57.45 54.99 2i85 n PHE 90 Cb 0.52 -1.89 0.05 0.00 -0.01 0.00 0.00 39.48 38.16 2i85 n PHE 90 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2i85 s GLN 91 N 0.06 2.44 -0.05 -1.08 -2.07 -1.26 -0.38 119.66 117.32 2i85 s GLN 91 Ca 0.38 -0.44 -0.23 0.00 -1.82 0.00 0.00 55.36 53.25 2i85 s GLN 91 Cb 0.03 -2.32 -0.27 0.00 -1.09 0.00 0.00 33.01 29.35 2i85 s GLN 91 CO 0.01 -0.94 0.94 0.93 -1.32 0.00 0.00 175.29 174.91 2i85 h GLU 92 N -0.26 0.24 -4.12 9.60 5.08 -1.95 -3.43 114.58 119.75 2i85 h GLU 92 Ca -0.44 -0.34 -0.20 0.00 -1.00 0.00 0.00 59.36 57.38 2i85 h GLU 92 Cb 1.30 0.12 -0.22 0.00 0.50 0.00 0.00 28.75 30.45 2i85 h GLU 92 CO 0.57 1.11 -0.71 -0.06 -1.00 0.00 0.00 179.01 178.92 2i85 s PHE 93 N -2.69 0.35 -0.05 4.33 0.40 -1.26 -4.69 117.98 114.36 2i85 s PHE 93 Ca -0.15 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 2i85 s PHE 93 Cb 0.01 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 2i85 s PHE 93 CO 0.79 -0.15 -0.12 0.45 0.70 0.00 0.00 175.22 176.89 2i85 s SER 94 N -1.37 4.24 0.20 1.36 0.15 -1.26 -4.92 113.70 112.10 2i85 s SER 94 Ca -0.13 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.38 2i85 s SER 94 Cb -0.09 -0.96 0.15 0.00 -1.71 0.00 0.00 66.02 63.42 2i85 s SER 94 CO -0.01 0.35 1.51 1.55 1.20 0.00 0.00 173.24 177.85 2i85 h PRO 95 N 5.29 0.41 0.00 5.44 0.13 -2.02 -3.41 132.00 137.84 2i85 h PRO 95 Ca -0.47 -0.28 -0.05 0.00 -0.87 0.00 0.00 66.00 64.32 2i85 h PRO 95 Cb 1.16 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2i85 h PRO 95 CO 0.51 0.89 -0.13 -1.71 -0.23 0.00 0.00 178.00 177.33 2i85 n ASN 96 N -3.91 -0.39 -3.93 1.44 5.15 -1.26 -5.11 115.26 107.25 2i85 n ASN 96 Ca -0.03 -1.42 -0.31 0.00 -0.60 0.00 0.00 54.58 52.22 2i85 n ASN 96 Cb 0.63 0.11 -0.15 0.00 -0.53 0.00 0.00 39.78 39.84 2i85 n ASN 96 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2i85 s LEU 97 N 0.00 3.54 0.00 1.20 1.98 -1.26 -4.99 118.68 119.14 2i85 s LEU 97 Ca 0.00 -1.75 0.09 0.00 -2.89 0.00 0.00 54.13 49.58 2i85 s LEU 97 Cb 0.00 -1.33 0.55 0.00 0.66 0.00 0.00 46.19 46.08 2i85 s LEU 97 CO -0.00 -0.34 1.04 0.79 -1.89 0.00 0.00 176.35 175.95 2i85 n TRP 98 N 4.51 0.00 -0.04 5.38 7.02 -1.26 -2.98 117.44 130.07 2i85 n TRP 98 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.42 2i85 n TRP 98 Cb 0.42 -0.05 -0.09 0.00 -2.42 0.00 0.00 31.31 29.18 2i85 n TRP 98 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i85 n GLY 99 N -0.43 -0.53 0.13 6.99 0.00 -1.26 -4.53 105.19 105.57 2i85 n GLY 99 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 2i85 n GLY 99 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i85 h LEU 100 N 0.00 0.13-10.00 0.99 3.38 -1.87 -3.44 115.31 104.50 2i85 h LEU 100 Ca -0.24 -0.09 -0.52 0.00 0.09 0.00 0.00 57.88 57.12 2i85 h LEU 100 Cb 1.47 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 42.27 2i85 h LEU 100 CO 0.01 0.80 0.54 -1.61 0.09 0.00 0.00 178.44 178.27 2i85 s GLU 101 N -3.45 3.66 0.03 1.13 2.02 -1.18 -4.32 118.70 116.58 2i85 s GLU 101 Ca -0.02 1.97 -0.00 0.00 0.02 0.00 0.00 54.97 56.94 2i85 s GLU 101 Cb 0.12 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 2i85 s GLU 101 CO 0.79 -0.69 -0.03 -0.06 0.02 0.00 0.00 175.26 175.29 2i85 s PHE 102 N -1.42 0.36 0.03 1.61 0.08 -1.26 -4.98 117.98 112.40 2i85 s PHE 102 Ca 0.64 -0.65 0.07 0.00 0.12 0.00 0.00 56.93 57.11 2i85 s PHE 102 Cb -0.33 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.83 2i85 s PHE 102 CO 0.41 -0.22 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.45 2i85 s GLN 103 N -2.04 2.03 0.92 0.44 -1.52 -1.26 -5.05 119.66 113.18 2i85 s GLN 103 Ca -0.10 -0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 52.19 2i85 s GLN 103 Cb -0.06 -2.14 0.14 0.00 -0.22 0.00 0.00 33.01 30.73 2i85 s GLN 103 CO -0.03 0.54 1.11 0.15 -0.25 0.00 0.00 175.29 176.81 2i85 s LYS 104 N -1.30 1.05 -1.45 2.91 3.01 -1.26 -4.11 119.74 118.59 2i85 s LYS 104 Ca 0.13 0.45 -0.11 0.00 -1.01 0.00 0.00 55.97 55.44 2i85 s LYS 104 Cb -0.10 -1.82 0.07 0.00 -1.01 0.00 0.00 37.83 34.97 2i85 s LYS 104 CO 0.04 -2.29 0.74 -1.71 0.51 0.00 0.00 175.35 172.64 2i85 n ASN 105 N -3.86 -4.71 -4.16 2.83 5.15 -0.92 -4.89 115.26 104.70 2i85 n ASN 105 Ca 0.06 -0.54 -0.20 0.00 -0.60 0.00 0.00 54.58 53.30 2i85 n ASN 105 Cb 0.58 -3.81 -0.13 0.00 -0.53 0.00 0.00 39.78 35.89 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2i85 s LYS 106 N -6.23 0.91 0.02 1.20 -0.14 -0.76 -5.07 119.74 109.68 2i85 s LYS 106 Ca 0.50 -0.84 0.05 0.00 -1.36 0.00 0.00 55.97 54.32 2i85 s LYS 106 Cb -0.25 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.94 2i85 s LYS 106 CO 0.62 0.22 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.77 2i85 s ASP 107 N -1.37 1.82 -0.12 2.83 1.01 -1.26 -1.41 116.67 118.15 2i85 s ASP 107 Ca 0.01 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.87 2i85 s ASP 107 Cb -0.09 -0.15 0.02 0.00 1.01 0.00 0.00 42.92 43.71 2i85 s ASP 107 CO 0.02 0.10 -0.14 -0.31 0.21 0.00 0.00 175.17 175.05 2i85 s TYR 108 N -0.69 1.98 -0.13 4.23 1.51 -0.77 -5.02 117.35 118.47 2i85 s TYR 108 Ca 0.04 -1.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 2i85 s TYR 108 Cb -0.07 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2i85 s TYR 108 CO 0.01 -0.55 -0.17 0.71 -1.11 0.00 0.00 175.55 174.44 2i85 s TYR 109 N 1.26 2.73 0.40 2.71 2.02 -1.26 -1.74 117.35 123.47 2i85 s TYR 109 Ca -0.01 -0.84 0.08 0.00 -0.37 0.00 0.00 57.07 55.92 2i85 s TYR 109 Cb -0.14 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2i85 s TYR 109 CO -0.06 -0.33 0.37 0.42 -1.57 0.00 0.00 175.55 174.39 2i85 s ILE 110 N 0.44 2.91 0.04 2.71 1.09 -0.65 -1.09 121.20 126.65 2i85 s ILE 110 Ca -0.12 -1.32 -0.20 0.00 -1.10 0.00 0.00 60.65 57.91 2i85 s ILE 110 Cb -0.16 -3.05 0.04 0.00 -1.06 0.00 0.00 42.46 38.23 2i85 s ILE 110 CO 0.05 -0.04 0.46 -0.51 -0.10 0.00 0.00 174.94 174.80 2i85 s ILE 111 N -2.42 0.04 0.07 2.92 2.07 -0.12 -3.79 121.20 119.97 2i85 s ILE 111 Ca 0.47 -0.36 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 2i85 s ILE 111 Cb -0.04 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 2i85 s ILE 111 CO 0.28 -0.20 0.06 -0.55 -1.91 0.00 0.00 174.94 172.62 2i85 s SER 112 N -1.91 0.34 -0.23 4.50 0.15 -0.52 -2.10 113.70 113.93 2i85 s SER 112 Ca -0.06 -0.87 0.16 0.00 0.70 0.00 0.00 55.95 55.88 2i85 s SER 112 Cb -0.01 0.26 0.47 0.00 -1.71 0.00 0.00 66.02 65.03 2i85 s SER 112 CO -0.01 -0.65 1.16 0.35 1.20 0.00 0.00 173.24 175.28 2i85 n THR 113 N 0.04 1.68 -0.51 6.45 -2.24 -1.26 -4.02 114.28 114.42 2i85 n THR 113 Ca -0.14 -3.20 0.43 0.00 -2.27 0.00 0.00 64.05 58.87 2i85 n THR 113 Cb 0.62 0.21 0.76 0.00 -2.10 0.00 0.00 70.33 69.81 2i85 n THR 113 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2i85 h SER 114 N 2.08 0.06 0.83 3.42 0.87 -1.93 -1.76 113.55 117.12 2i85 h SER 114 Ca 0.05 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2i85 h SER 114 Cb 1.42 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2i85 h SER 114 CO 0.36 -0.02 -0.03 -1.13 -0.53 0.00 0.00 176.83 175.48 2i85 h ASN 115 N 0.03 0.00 -6.78 6.23 -1.24 -1.90 -3.46 115.58 108.46 2i85 h ASN 115 Ca 0.77 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 57.22 2i85 h ASN 115 Cb 2.93 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 41.90 2i85 h ASN 115 CO -0.08 0.03 -0.96 0.61 -1.29 0.00 0.00 177.43 175.73 2i85 n GLY 116 N -0.15 -0.45 3.39 1.57 0.00 -0.66 -4.92 105.19 103.96 2i85 n GLY 116 Ca -0.00 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 2i85 n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i85 n SER 117 N -2.69 -2.11 -0.32 1.61 2.88 -1.26 -4.41 113.62 107.32 2i85 n SER 117 Ca -0.24 0.50 0.06 0.00 -1.33 0.00 0.00 58.87 57.86 2i85 n SER 117 Cb 0.65 -1.13 0.21 0.00 -0.75 0.00 0.00 64.21 63.18 2i85 n SER 117 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2i85 h LEU 118 N -0.64 0.76 -1.20 2.46 7.12 -1.98 0.19 115.31 122.03 2i85 h LEU 118 Ca -0.45 0.06 -0.08 0.00 0.13 0.00 0.00 57.88 57.54 2i85 h LEU 118 Cb 1.34 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 2i85 h LEU 118 CO 0.39 0.40 -0.37 -0.33 -0.13 0.00 0.00 178.44 178.40 2i85 h GLU 119 N 0.85 0.00 -0.56 1.25 4.39 -1.95 -3.25 114.58 115.32 2i85 h GLU 119 Ca 0.45 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.76 2i85 h GLU 119 Cb 0.47 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.83 2i85 h GLU 119 CO -0.27 0.37 -0.55 0.41 -1.16 0.00 0.00 179.01 177.80 2i85 n GLY 120 N -0.24 5.93 0.25 -3.84 0.00 -0.04 -4.70 105.19 102.56 2i85 n GLY 120 Ca -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2i85 n GLY 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2i85 h LEU 121 N 1.78 0.36 0.00 0.99 6.46 -0.76 -3.36 115.31 120.78 2i85 h LEU 121 Ca 0.29 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2i85 h LEU 121 Cb 1.38 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2i85 h LEU 121 CO 0.61 0.51 -0.34 -0.67 -0.62 0.00 0.00 178.44 177.92 2i85 n ASP 122 N -4.25 1.56 -4.68 1.25 -0.08 -1.26 -4.93 116.55 104.17 2i85 n ASP 122 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.94 2i85 n ASP 122 Cb 0.28 0.09 0.11 0.00 2.34 0.00 0.00 41.12 43.94 2i85 n ASP 122 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2i85 n ASN 123 N -1.40 1.05 -3.46 1.67 3.02 -1.26 -4.92 115.26 109.96 2i85 n ASN 123 Ca 0.00 0.65 -0.40 0.00 -0.03 0.00 0.00 54.58 54.80 2i85 n ASN 123 Cb 0.17 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 37.84 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i85 n GLN 124 N -2.66 3.60 -4.03 3.52 0.00 -1.26 -4.63 117.38 111.92 2i85 n GLN 124 Ca 0.14 -2.51 -0.08 0.00 0.00 0.00 0.00 57.00 54.54 2i85 n GLN 124 Cb 0.50 -2.90 -0.09 0.00 0.00 0.00 0.00 30.24 27.74 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2i85 s GLU 125 N 1.93 0.81 4.89 2.61 2.02 -1.26 -2.25 118.70 127.44 2i85 s GLU 125 Ca 0.61 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2i85 s GLU 125 Cb 0.17 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2i85 s GLU 125 CO -0.07 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.40 2i85 n GLY 126 N -0.02 1.80 0.00 -1.39 0.00 -0.20 -4.28 105.19 101.11 2i85 n GLY 126 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2i85 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i85 n GLY 127 N 0.00 2.46 0.24 -0.02 0.00 -1.26 -4.24 105.19 102.37 2i85 n GLY 127 Ca 0.00 -2.06 0.17 0.00 0.00 0.00 0.00 46.02 44.13 2i85 n GLY 127 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2i85 h VAL 128 N 0.48 0.00 -1.61 1.61 -1.51 -1.81 -2.49 116.25 110.92 2i85 h VAL 128 Ca 0.00 -0.10 0.52 0.00 -1.23 0.00 0.00 66.70 65.89 2i85 h VAL 128 Cb 0.00 0.87 -0.12 0.00 -2.13 0.00 0.00 31.29 29.92 2i85 h VAL 128 CO 0.00 0.00 1.09 0.00 -1.23 0.00 0.00 177.57 177.43 2i85 h GLN 130 N 0.00 0.33 0.00 0.00 4.20 -1.78 -3.07 115.11 114.79 2i85 h GLN 130 Ca 0.91 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.60 2i85 h GLN 130 Cb 3.20 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.91 2i85 h GLN 130 CO -0.30 0.22 0.00 2.41 -0.67 0.00 0.00 178.83 180.49 2i85 n THR 131 N -4.46 0.00 0.30 -0.54 -1.04 -0.77 -4.82 114.28 102.95 2i85 n THR 131 Ca 0.12 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.28 2i85 n THR 131 Cb 0.49 -0.36 0.71 0.00 -1.82 0.00 0.00 70.33 69.34 2i85 n THR 131 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2i85 h ARG 132 N 0.00 0.00 -6.58 -2.82 2.47 -1.17 -3.48 114.38 102.80 2i85 h ARG 132 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2i85 h ARG 132 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 2i85 h ARG 132 CO 0.00 0.00 -0.90 0.00 0.56 0.00 0.00 179.97 179.63 2i85 n ALA 133 N -1.92 -2.00 -1.90 0.04 0.00 -1.01 -4.55 120.51 109.16 2i85 n ALA 133 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 2i85 n ALA 133 Cb 0.18 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 2i85 n ALA 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2i85 s MET 134 N -6.68 2.11 0.21 0.00 1.75 -1.26 -3.58 119.30 111.84 2i85 s MET 134 Ca 0.01 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 53.83 2i85 s MET 134 Cb -0.01 -5.09 -0.04 0.00 2.84 0.00 0.00 34.83 32.53 2i85 s MET 134 CO 0.90 -4.25 0.12 -1.59 -0.65 0.00 0.00 175.02 169.55 2i85 s LYS 135 N 7.31 1.22 0.07 4.11 -2.85 -1.25 -1.44 119.74 126.91 2i85 s LYS 135 Ca 0.74 -1.64 0.01 0.00 -1.00 0.00 0.00 55.97 54.08 2i85 s LYS 135 Cb -0.04 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2i85 s LYS 135 CO 0.11 -0.36 -0.06 0.96 0.10 0.00 0.00 175.35 176.10 2i85 s ILE 136 N -4.06 0.52 -0.07 3.79 -4.36 -1.25 -2.69 121.20 113.08 2i85 s ILE 136 Ca 0.37 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 2i85 s ILE 136 Cb 0.07 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.53 2i85 s ILE 136 CO 0.11 -0.74 -0.18 -0.76 0.24 0.00 0.00 174.94 173.61 2i85 s LEU 137 N -2.51 1.89 -0.38 0.37 1.43 -1.15 -1.64 118.68 116.70 2i85 s LEU 137 Ca 0.03 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2i85 s LEU 137 Cb 0.01 -1.11 0.12 0.00 0.03 0.00 0.00 46.19 45.24 2i85 s LEU 137 CO -0.04 0.12 0.18 -0.04 0.23 0.00 0.00 176.35 176.80 2i85 s MET 138 N 0.37 0.94 0.38 1.70 -1.94 -0.71 -1.51 119.30 118.53 2i85 s MET 138 Ca -0.13 -1.54 -0.26 0.00 -1.71 0.00 0.00 55.69 52.04 2i85 s MET 138 Cb -0.16 -2.00 -0.09 0.00 2.01 0.00 0.00 34.83 34.59 2i85 s MET 138 CO 0.05 -1.11 1.24 0.15 -0.01 0.00 0.00 175.02 175.34 2i85 s LYS 139 N 0.94 4.10 -0.31 2.03 1.02 -1.26 -1.84 119.74 124.42 2i85 s LYS 139 Ca 0.15 2.02 -0.03 0.00 0.02 0.00 0.00 55.97 58.13 2i85 s LYS 139 Cb -0.22 -2.80 0.11 0.00 -0.52 0.00 0.00 37.83 34.40 2i85 s LYS 139 CO -0.09 -0.34 0.14 0.08 -0.92 0.00 0.00 175.35 174.23 2i85 s VAL 140 N -1.29 0.08 0.00 3.17 1.01 -0.50 -4.48 120.40 118.39 2i85 s VAL 140 Ca 0.55 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2i85 s VAL 140 Cb -0.35 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2i85 s VAL 140 CO 0.45 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.38 2i85 n GLY 141 N 4.95 -0.63 0.21 4.51 0.00 -1.26 -1.84 105.19 111.13 2i85 n GLY 141 Ca -0.02 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.36 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26