#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 -0.52 0.04 1.43 3.00 -1.26 -5.08 118.16 115.76 2i85 n LYS 2 Ca 0.00 -1.05 -0.02 0.00 -0.00 0.00 0.00 58.31 57.24 2i85 n LYS 2 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 35.03 34.39 2i85 n LYS 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2i85 h SER 3 N -0.79 -0.11 0.00 3.14 0.87 -1.92 -3.48 113.55 111.26 2i85 h SER 3 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2i85 h SER 3 Cb 0.58 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2i85 h SER 3 CO 0.15 0.07 0.00 -0.38 -0.53 0.00 0.00 176.83 176.14 2i85 n ILE 4 N -3.18 0.00 -2.67 2.23 2.08 -1.26 -5.00 119.36 111.56 2i85 n ILE 4 Ca -0.02 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.27 2i85 n ILE 4 Cb 0.05 -0.22 -0.02 0.00 -0.75 0.00 0.00 39.64 38.70 2i85 n ILE 4 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2i85 n VAL 5 N -2.18-12.51 -0.70 1.39 0.31 -1.26 -5.04 118.33 98.33 2i85 n VAL 5 Ca 0.00 2.27 -0.29 0.00 -0.01 0.00 0.00 64.34 66.31 2i85 n VAL 5 Cb 0.00 -6.81 0.22 0.00 -0.91 0.00 0.00 33.84 26.34 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 -1.24 1.48 0.28 7.52 1.02 -1.16 -4.97 118.68 121.61 2i85 s LEU 6 Ca -0.12 1.64 -0.24 0.00 0.02 0.00 0.00 54.13 55.42 2i85 s LEU 6 Cb 0.01 -3.72 -0.09 0.00 0.02 0.00 0.00 46.19 42.40 2i85 s LEU 6 CO 0.80 -3.72 0.86 -1.61 0.02 0.00 0.00 176.35 172.70 2i85 s GLU 7 N -4.59 4.49 0.44 1.70 8.01 -1.26 -4.81 118.70 122.68 2i85 s GLU 7 Ca 0.67 1.18 -0.23 0.00 0.01 0.00 0.00 54.97 56.60 2i85 s GLU 7 Cb -0.23 -2.87 -0.08 0.00 -4.31 0.00 0.00 34.13 26.64 2i85 s GLU 7 CO 0.62 0.34 1.15 -1.25 0.01 0.00 0.00 175.26 176.13 2i85 s PRO 8 N -1.94 3.86 -0.18 0.39 0.04 -1.26 -4.60 135.00 131.31 2i85 s PRO 8 Ca 0.47 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 2i85 s PRO 8 Cb -0.19 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2i85 s PRO 8 CO 0.23 -0.46 1.39 0.42 0.04 0.00 0.00 177.00 178.62 2i85 s ILE 9 N -1.54 4.05 -0.89 0.56 -1.09 -0.15 -4.90 121.20 117.24 2i85 s ILE 9 Ca 0.62 1.25 -0.03 0.00 -2.23 0.00 0.00 60.65 60.25 2i85 s ILE 9 Cb -0.28 -3.89 0.22 0.00 -1.58 0.00 0.00 42.46 36.92 2i85 s ILE 9 CO 0.34 -0.21 2.25 0.00 -1.23 0.00 0.00 174.94 176.10 2i85 n TYR 10 N 7.14 2.48 0.00 3.97 4.19 -1.26 -2.78 117.16 130.90 2i85 n TYR 10 Ca 0.15 -2.39 0.00 0.00 3.31 0.00 0.00 57.90 58.97 2i85 n TYR 10 Cb 0.45 -1.38 0.00 0.00 0.49 0.00 0.00 39.34 38.90 2i85 n TYR 10 CO 0.00 0.00 0.00 1.87 0.91 0.00 0.00 176.86 179.64 2i85 n TRP 11 N 0.44 0.00 0.00 2.98 -0.00 -0.67 -4.66 117.44 115.53 2i85 n TRP 11 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.03 2i85 n TRP 11 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 2i85 n TRP 11 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2i85 n ASN 12 N 0.70 0.00 -0.33 5.87 3.02 -1.26 -4.94 115.26 118.31 2i85 n ASN 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2i85 n ASN 12 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2i85 n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2i85 n SER 13 N 0.00 -2.76 -1.92 6.41 2.88 -1.26 -4.78 113.62 112.19 2i85 n SER 13 Ca 0.00 0.14 -0.05 0.00 -1.33 0.00 0.00 58.87 57.63 2i85 n SER 13 Cb 0.00 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.30 2i85 n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i85 n SER 14 N -0.22 -1.82 -4.90 -3.46 3.41 -1.26 -4.95 113.62 100.41 2i85 n SER 14 Ca 0.00 0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 58.67 2i85 n SER 14 Cb 0.00 -1.78 -0.03 0.00 -0.26 0.00 0.00 64.21 62.14 2i85 n SER 14 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2i85 s ASN 15 N -1.76 5.85 0.34 4.04 2.47 -1.26 -5.02 114.94 119.60 2i85 s ASN 15 Ca 0.00 -0.15 0.09 0.00 0.42 0.00 0.00 52.86 53.23 2i85 s ASN 15 Cb 0.00 -1.51 0.63 0.00 -1.45 0.00 0.00 41.25 38.92 2i85 s ASN 15 CO 0.00 -0.13 1.80 0.28 -3.72 0.00 0.00 177.10 175.33 2i85 h SER 16 N 1.27 0.15 0.96 -4.21 0.02 -1.92 -2.42 113.55 107.41 2i85 h SER 16 Ca -0.49 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2i85 h SER 16 Cb 1.24 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2i85 h SER 16 CO 0.60 0.48 -0.24 1.17 -1.14 0.00 0.00 176.83 177.69 2i85 n LYS 17 N -4.11 0.12 -1.62 3.45 0.00 -1.26 -4.85 118.16 109.89 2i85 n LYS 17 Ca -0.01 0.07 -0.25 0.00 0.00 0.00 0.00 58.31 58.11 2i85 n LYS 17 Cb 0.40 -1.61 -0.05 0.00 0.00 0.00 0.00 35.03 33.78 2i85 n LYS 17 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2i85 s PHE 18 N -3.06 1.17 -0.80 5.64 5.36 -0.91 -4.41 117.98 120.98 2i85 s PHE 18 Ca 0.11 1.68 -0.14 0.00 -0.96 0.00 0.00 56.93 57.62 2i85 s PHE 18 Cb 0.16 -3.56 -0.23 0.00 -0.34 0.00 0.00 43.02 39.04 2i85 s PHE 18 CO 0.62 -2.02 1.88 1.47 -1.46 0.00 0.00 175.22 175.71 2i85 n LEU 19 N 16.96 -0.64 0.00 6.12 -0.00 -1.26 -4.81 117.00 133.37 2i85 n LEU 19 Ca 0.41 -0.22 0.15 0.00 -0.00 0.00 0.00 56.01 56.35 2i85 n LEU 19 Cb 0.49 -0.54 0.91 0.00 -0.00 0.00 0.00 43.42 44.27 2i85 n LEU 19 CO 0.63 -0.93 1.07 -0.81 -0.00 0.00 0.00 177.39 177.35 2i85 n PRO 20 N 5.30 0.97 0.00 1.47 -0.04 -1.26 -4.67 135.00 136.77 2i85 n PRO 20 Ca 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2i85 n PRO 20 Cb 0.08 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 2i85 n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i85 n GLY 21 N 0.93 0.42 0.00 0.55 0.00 -1.26 -4.97 105.19 100.86 2i85 n GLY 21 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2i85 n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2i85 n GLN 22 N 0.00 2.89 0.00 1.61 7.27 -1.26 -4.54 117.38 123.35 2i85 n GLN 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2i85 n GLN 22 Cb 0.00 -0.32 0.00 0.00 2.41 0.00 0.00 30.24 32.33 2i85 n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2i85 n GLY 23 N 0.32 0.86 3.19 1.69 0.00 -1.23 -3.39 105.19 106.63 2i85 n GLY 23 Ca 0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 2.21 -0.13 0.99 2.96 -0.96 -4.02 118.68 119.74 2i85 s LEU 24 Ca 0.00 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2i85 s LEU 24 Cb 0.00 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 46.02 2i85 s LEU 24 CO 0.00 0.03 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.18 2i85 s VAL 25 N -0.97 1.82 0.02 1.68 1.01 -1.26 -3.12 120.40 119.58 2i85 s VAL 25 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2i85 s VAL 25 Cb -0.09 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2i85 s VAL 25 CO 0.02 0.50 0.07 -0.76 0.00 0.00 0.00 175.10 174.93 2i85 s LEU 26 N 0.89 3.83 -0.07 3.92 2.01 -0.92 -5.02 118.68 123.31 2i85 s LEU 26 Ca -0.07 0.09 -0.11 0.00 0.01 0.00 0.00 54.13 54.05 2i85 s LEU 26 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 2i85 s LEU 26 CO -0.02 0.25 0.27 -0.31 1.01 0.00 0.00 176.35 177.54 2i85 s TYR 27 N -1.23 3.65 -1.15 0.29 2.02 -1.26 -4.02 117.35 115.64 2i85 s TYR 27 Ca 0.24 0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 57.61 2i85 s TYR 27 Cb -0.12 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.26 2i85 s TYR 27 CO 0.16 0.67 2.39 -0.35 -1.57 0.00 0.00 175.55 176.84 2i85 n PRO 28 N 2.00 2.61 -3.95 -1.71 -0.04 -1.23 -4.84 135.00 127.85 2i85 n PRO 28 Ca -0.17 -1.72 -0.30 0.00 -0.04 0.00 0.00 63.50 61.27 2i85 n PRO 28 Cb 0.54 -2.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.27 2i85 n PRO 28 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2i85 s GLN 29 N 3.03 1.60 0.01 0.54 -2.07 -1.26 -4.64 119.66 116.88 2i85 s GLN 29 Ca 0.50 -2.13 -0.30 0.00 -1.82 0.00 0.00 55.36 51.61 2i85 s GLN 29 Cb 0.13 -3.09 -0.08 0.00 -1.09 0.00 0.00 33.01 28.88 2i85 s GLN 29 CO -0.04 -1.03 1.86 0.42 -1.32 0.00 0.00 175.29 175.18 2i85 s ILE 30 N 0.44 3.21 0.00 3.63 -1.09 -1.26 -2.62 121.20 123.50 2i85 s ILE 30 Ca 0.14 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2i85 s ILE 30 Cb -0.22 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2i85 s ILE 30 CO -0.05 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.24 2i85 n GLY 31 N 4.41 1.43 3.77 6.18 0.00 -0.35 -4.93 105.19 115.69 2i85 n GLY 31 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2i85 n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i85 s ASP 32 N -1.92 4.70 0.02 1.61 2.15 -1.08 -4.17 116.67 117.98 2i85 s ASP 32 Ca 0.00 1.86 -0.09 0.00 0.43 0.00 0.00 52.55 54.75 2i85 s ASP 32 Cb 0.00 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2i85 s ASP 32 CO 0.00 -1.90 0.19 -1.59 -0.17 0.00 0.00 175.17 171.69 2i85 s LYS 33 N -4.69 0.61 -0.02 4.34 0.00 -1.26 -0.60 119.74 118.12 2i85 s LYS 33 Ca 0.63 -0.49 0.01 0.00 0.00 0.00 0.00 55.97 56.12 2i85 s LYS 33 Cb -0.18 0.25 0.02 0.00 0.00 0.00 0.00 37.83 37.92 2i85 s LYS 33 CO 0.52 -0.16 -0.01 -0.48 0.00 0.00 0.00 175.35 175.21 2i85 s LEU 34 N -1.72 1.49 -0.34 2.77 -0.00 -0.47 -3.01 118.68 117.41 2i85 s LEU 34 Ca -0.10 -0.04 0.01 0.00 -0.00 0.00 0.00 54.13 54.00 2i85 s LEU 34 Cb -0.04 -0.21 0.09 0.00 -0.00 0.00 0.00 46.19 46.02 2i85 s LEU 34 CO -0.01 -0.05 0.05 -0.62 -0.00 0.00 0.00 176.35 175.73 2i85 s ASP 35 N 0.60 4.85 -0.13 1.48 -1.08 -1.26 -1.86 116.67 119.27 2i85 s ASP 35 Ca -0.06 -1.85 -0.23 0.00 -0.52 0.00 0.00 52.55 49.88 2i85 s ASP 35 Cb -0.09 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.67 2i85 s ASP 35 CO -0.01 -0.37 0.73 -0.51 0.52 0.00 0.00 175.17 175.53 2i85 s ILE 36 N 1.05 4.98 -0.05 4.11 2.07 -0.43 -0.98 121.20 131.95 2i85 s ILE 36 Ca 0.04 1.45 0.02 0.00 -1.41 0.00 0.00 60.65 60.75 2i85 s ILE 36 Cb -0.20 -4.05 0.01 0.00 0.13 0.00 0.00 42.46 38.35 2i85 s ILE 36 CO -0.05 0.14 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.39 2i85 s ILE 37 N 1.52 0.94 -0.05 2.00 1.01 -1.12 -1.21 121.20 124.30 2i85 s ILE 37 Ca 0.36 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 2i85 s ILE 37 Cb -0.17 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.47 2i85 s ILE 37 CO 0.14 0.30 0.11 0.00 0.00 0.00 0.00 174.94 175.50 2i85 s PRO 39 N 0.94 3.16 1.18 0.00 0.04 -1.26 -1.39 135.00 137.67 2i85 s PRO 39 Ca -0.07 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 2i85 s PRO 39 Cb -0.10 -1.99 0.29 0.00 0.04 0.00 0.00 34.50 32.75 2i85 s PRO 39 CO -0.04 -0.99 1.02 -1.59 0.04 0.00 0.00 177.00 175.44 2i85 s LYS 40 N -3.57 -1.07 -0.35 4.56 -2.85 -1.26 -4.76 119.74 110.45 2i85 s LYS 40 Ca 0.71 0.67 -0.03 0.00 -1.00 0.00 0.00 55.97 56.32 2i85 s LYS 40 Cb -0.23 -1.55 0.07 0.00 -2.06 0.00 0.00 37.83 34.06 2i85 s LYS 40 CO 0.32 -3.78 0.10 0.54 0.10 0.00 0.00 175.35 172.63 2i85 s VAL 41 N -2.52 3.30 0.00 1.79 0.11 -1.26 -4.62 120.40 117.20 2i85 s VAL 41 Ca 0.68 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2i85 s VAL 41 Cb -0.23 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2i85 s VAL 41 CO 0.63 -0.32 0.00 0.47 -3.33 0.00 0.00 175.10 172.55 2i85 n ASP 42 N 4.67 0.00 -0.04 3.54 8.00 -1.26 -4.89 116.55 126.57 2i85 n ASP 42 Ca -0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.26 2i85 n ASP 42 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 2i85 n ASP 42 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2i85 h SER 43 N 0.00 0.37 0.05 -2.24 0.87 -1.97 -1.02 113.55 109.61 2i85 h SER 43 Ca 0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2i85 h SER 43 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2i85 h SER 43 CO 0.00 0.91 -0.02 0.50 -0.53 0.00 0.00 176.83 177.68 2i85 h LYS 44 N -0.15 -0.06 0.09 2.24 1.63 -1.95 -3.30 116.57 115.06 2i85 h LYS 44 Ca -0.01 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 2i85 h LYS 44 Cb 0.87 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2i85 h LYS 44 CO 0.05 0.11 -1.15 1.15 -3.45 0.00 0.00 179.45 176.16 2i85 h THR 45 N -0.22 1.41 0.00 1.00 2.02 -1.82 -3.48 112.91 111.82 2i85 h THR 45 Ca -0.01 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.48 2i85 h THR 45 Cb 0.20 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2i85 h THR 45 CO 0.01 0.80 0.00 0.55 0.37 0.00 0.00 175.52 177.25 2i85 n VAL 46 N -3.68 0.00 0.09 3.16 3.14 -0.39 -4.71 118.33 115.94 2i85 n VAL 46 Ca -0.09 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.31 2i85 n VAL 46 Cb 0.95 -0.37 -0.04 0.00 -1.06 0.00 0.00 33.84 33.32 2i85 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i85 n GLY 47 N -1.97 -0.01 3.65 7.55 0.00 -1.26 -5.05 105.19 108.10 2i85 n GLY 47 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.51 -1.21 0.00 1.61 6.02 -1.26 -4.99 117.38 116.04 2i85 n GLN 48 Ca -0.00 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2i85 n GLN 48 Cb 0.13 -3.63 0.00 0.00 1.02 0.00 0.00 30.24 27.76 2i85 n GLN 48 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2i85 n TYR 49 N -3.36 0.00 -3.96 1.08 4.19 -1.26 -5.09 117.16 108.77 2i85 n TYR 49 Ca -0.15 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.07 2i85 n TYR 49 Cb 0.60 -0.33 0.00 0.00 0.49 0.00 0.00 39.34 40.11 2i85 n TYR 49 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2i85 n GLU 50 N -1.48 0.04 -3.68 2.98 4.07 -1.26 -5.20 120.64 116.11 2i85 n GLU 50 Ca 0.00 -0.26 -0.23 0.00 -0.06 0.00 0.00 57.16 56.61 2i85 n GLU 50 Cb 0.00 0.45 -0.01 0.00 -0.06 0.00 0.00 31.44 31.82 2i85 n GLU 50 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 2i85 s TYR 51 N -2.37 2.10 0.02 4.31 -0.85 -1.26 -4.97 117.35 114.32 2i85 s TYR 51 Ca 0.12 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 2i85 s TYR 51 Cb -0.00 -2.05 -0.01 0.00 0.38 0.00 0.00 41.96 40.27 2i85 s TYR 51 CO -0.01 -0.36 -0.05 1.52 -1.52 0.00 0.00 175.55 175.13 2i85 s TYR 52 N -2.63 0.44 -0.06 -3.49 -0.85 -0.88 -4.93 117.35 104.95 2i85 s TYR 52 Ca 0.43 -0.29 0.01 0.00 -0.52 0.00 0.00 57.07 56.70 2i85 s TYR 52 Cb -0.03 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.06 2i85 s TYR 52 CO 0.26 -0.06 -0.05 0.15 -1.52 0.00 0.00 175.55 174.33 2i85 s LYS 53 N -0.83 0.93 -0.05 -3.49 3.01 -1.26 -1.73 119.74 116.32 2i85 s LYS 53 Ca -0.05 -0.11 -0.17 0.00 -1.01 0.00 0.00 55.97 54.63 2i85 s LYS 53 Cb -0.06 -0.97 -0.05 0.00 -1.01 0.00 0.00 37.83 35.74 2i85 s LYS 53 CO -0.00 -0.13 0.46 0.08 0.51 0.00 0.00 175.35 176.28 2i85 s VAL 54 N 1.14 5.06 -0.02 3.17 1.01 -0.10 -4.53 120.40 126.13 2i85 s VAL 54 Ca -0.07 0.95 0.02 0.00 0.00 0.00 0.00 61.98 62.87 2i85 s VAL 54 Cb -0.14 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2i85 s VAL 54 CO -0.01 0.45 -0.06 -0.31 0.00 0.00 0.00 175.10 175.17 2i85 s TYR 55 N -0.26 0.69 0.49 5.22 1.51 -0.90 -2.70 117.35 121.40 2i85 s TYR 55 Ca 0.25 -0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 55.92 2i85 s TYR 55 Cb -0.16 -0.53 -0.07 0.00 -0.11 0.00 0.00 41.96 41.09 2i85 s TYR 55 CO 0.13 -0.09 1.42 0.00 -1.11 0.00 0.00 175.55 175.89 2i85 n MET 56 N 3.41 2.07 -3.62 -0.62 0.00 -1.26 -1.29 117.12 115.81 2i85 n MET 56 Ca -0.19 0.74 -0.13 0.00 0.00 0.00 0.00 57.70 58.12 2i85 n MET 56 Cb 0.54 -2.63 -0.06 0.00 0.00 0.00 0.00 33.22 31.08 2i85 n MET 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2i85 s VAL 57 N -1.23 0.04 0.92 3.17 -7.23 -0.64 -4.82 120.40 110.63 2i85 s VAL 57 Ca 0.65 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 60.35 2i85 s VAL 57 Cb -0.43 -0.97 0.15 0.00 0.56 0.00 0.00 36.38 35.68 2i85 s VAL 57 CO 0.54 -0.20 1.09 -1.81 -0.31 0.00 0.00 175.10 174.42 2i85 s ASP 58 N -2.04 3.13 0.27 4.85 1.01 -1.26 -3.88 116.67 118.75 2i85 s ASP 58 Ca -0.05 1.67 -0.01 0.00 0.71 0.00 0.00 52.55 54.88 2i85 s ASP 58 Cb -0.01 -2.31 0.59 0.00 1.01 0.00 0.00 42.92 42.20 2i85 s ASP 58 CO -0.03 -2.88 1.70 0.50 0.21 0.00 0.00 175.17 174.67 2i85 h LYS 59 N -1.72 0.38 -0.84 8.23 3.64 -1.96 -0.23 116.57 124.08 2i85 h LYS 59 Ca -0.49 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 2i85 h LYS 59 Cb 1.28 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 2i85 h LYS 59 CO 0.51 0.25 0.50 0.22 -2.27 0.00 0.00 179.45 178.66 2i85 h ASP 60 N 0.39 0.74 0.41 4.20 3.58 -1.99 0.11 116.42 123.87 2i85 h ASP 60 Ca 0.48 0.03 -0.28 0.00 0.42 0.00 0.00 57.03 57.69 2i85 h ASP 60 Cb 0.85 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.80 2i85 h ASP 60 CO -0.49 0.45 -1.24 1.56 -2.88 0.00 0.00 179.24 176.64 2i85 h GLN 61 N 0.87 0.42 0.00 0.28 1.08 -1.69 -3.11 115.11 112.95 2i85 h GLN 61 Ca 0.39 -0.63 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2i85 h GLN 61 Cb 0.28 0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2i85 h GLN 61 CO -0.21 1.28 -0.04 0.00 -0.95 0.00 0.00 178.83 178.90 2i85 h ALA 62 N 0.47 1.33 0.00 3.87 0.00 -0.78 -2.10 119.26 122.05 2i85 h ALA 62 Ca -0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2i85 h ALA 62 Cb 1.94 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2i85 h ALA 62 CO 0.22 0.05 -0.42 0.22 0.00 0.00 0.00 179.25 179.32 2i85 h ASP 63 N 0.00 0.00 0.00 0.00 1.82 -0.71 -3.39 116.42 114.15 2i85 h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2i85 h ASP 63 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2i85 h ASP 63 CO 0.01 0.42 0.00 0.54 -1.61 0.00 0.00 179.24 178.59 2i85 n ARG 64 N -4.02 0.00 0.00 0.28 1.74 -0.82 -5.06 116.66 108.77 2i85 n ARG 64 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2i85 n ARG 64 Cb 0.45 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 2i85 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i85 s THR 66 N 0.00 2.21 0.01 0.00 -4.23 -1.26 -2.43 115.64 109.94 2i85 s THR 66 Ca 0.00 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2i85 s THR 66 Cb 0.00 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2i85 s THR 66 CO 0.00 0.00 0.16 -0.63 -0.54 0.00 0.00 174.62 173.61 2i85 s ILE 67 N -1.32 5.21 0.02 2.99 1.01 -0.53 -4.70 121.20 123.87 2i85 s ILE 67 Ca 0.69 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 2i85 s ILE 67 Cb -0.39 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2i85 s ILE 67 CO 0.47 0.28 1.12 -0.75 0.00 0.00 0.00 174.94 176.06 2i85 s LYS 68 N -2.03 4.46 0.63 2.79 2.47 -1.26 -4.74 119.74 122.06 2i85 s LYS 68 Ca 0.28 1.63 0.40 0.00 -1.56 0.00 0.00 55.97 56.71 2i85 s LYS 68 Cb -0.13 -3.42 2.12 0.00 -1.46 0.00 0.00 37.83 34.95 2i85 s LYS 68 CO 0.20 -0.21 2.28 1.57 0.16 0.00 0.00 175.35 179.34 2i85 h LYS 69 N 6.89 0.00 0.00 4.03 2.10 -1.98 -2.43 116.57 125.18 2i85 h LYS 69 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2i85 h LYS 69 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2i85 h LYS 69 CO 0.80 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.65 2i85 n GLU 70 N -3.23 0.20 -1.28 0.07 1.02 -1.26 -4.80 120.64 111.34 2i85 n GLU 70 Ca -0.02 0.33 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 2i85 n GLU 70 Cb 0.12 -1.81 0.23 0.00 -0.02 0.00 0.00 31.44 29.95 2i85 n GLU 70 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2i85 s ASN 71 N -4.21 1.44 -0.03 1.62 0.01 -0.91 -5.10 114.94 107.77 2i85 s ASN 71 Ca 0.07 0.55 0.07 0.00 -0.71 0.00 0.00 52.86 52.83 2i85 s ASN 71 Cb 0.11 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 41.00 2i85 s ASN 71 CO 0.45 -3.79 -0.23 -0.89 -1.51 0.00 0.00 177.10 171.13 2i85 s THR 72 N -3.21 1.82 -0.90 1.60 2.01 -1.26 -5.07 115.64 110.62 2i85 s THR 72 Ca 0.72 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.50 2i85 s THR 72 Cb -0.08 -1.52 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 2i85 s THR 72 CO 0.55 0.51 2.12 -2.16 -0.69 0.00 0.00 174.62 174.96 2i85 s PRO 73 N -0.41 2.10 0.18 4.92 0.04 -1.26 -4.52 135.00 136.05 2i85 s PRO 73 Ca 0.05 -0.10 -0.09 0.00 0.04 0.00 0.00 61.00 60.90 2i85 s PRO 73 Cb -0.10 -4.97 0.06 0.00 0.04 0.00 0.00 34.50 29.53 2i85 s PRO 73 CO 0.00 -3.98 1.60 1.25 0.04 0.00 0.00 177.00 175.91 2i85 h LEU 74 N 19.88 1.00 -7.48 -3.56 7.12 -1.98 -3.44 115.31 126.85 2i85 h LEU 74 Ca 0.07 -0.34 -0.41 0.00 0.13 0.00 0.00 57.88 57.33 2i85 h LEU 74 Cb 1.00 -0.27 -0.37 0.00 -0.53 0.00 0.00 40.66 40.48 2i85 h LEU 74 CO 1.12 1.13 -0.76 -0.22 -0.13 0.00 0.00 178.44 179.58 2i85 s LEU 75 N -9.15 0.64 -0.59 2.25 1.98 -1.10 -5.05 118.68 107.67 2i85 s LEU 75 Ca -0.11 -0.05 0.06 0.00 -2.89 0.00 0.00 54.13 51.15 2i85 s LEU 75 Cb 0.13 -0.35 0.25 0.00 0.66 0.00 0.00 46.19 46.88 2i85 s LEU 75 CO 0.86 -0.18 0.69 0.59 -1.89 0.00 0.00 176.35 176.42 2i85 n ASN 76 N 4.94 2.99 -4.60 3.68 4.13 -1.26 -0.93 115.26 124.22 2i85 n ASN 76 Ca -0.11 -3.28 -0.43 0.00 1.68 0.00 0.00 54.58 52.45 2i85 n ASN 76 Cb 0.50 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 38.05 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i85 n ALA 78 N 9.72 -2.54 0.00 0.00 0.00 -1.26 -2.07 120.51 124.36 2i85 n ALA 78 Ca 0.20 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2i85 n ALA 78 Cb 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2i85 n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i85 n LYS 79 N -3.22 0.00 0.00 0.00 0.00 -1.26 -4.47 118.16 109.20 2i85 n LYS 79 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.28 2i85 n LYS 79 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2i85 n LYS 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2i85 n PRO 80 N 0.00 0.00 -0.84 1.64 -0.04 -1.26 -5.03 135.00 129.47 2i85 n PRO 80 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2i85 n PRO 80 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2i85 n PRO 80 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2i85 n ASP 81 N 0.00 -0.68 -3.79 3.54 -0.08 -1.26 -5.14 116.55 109.15 2i85 n ASP 81 Ca 0.00 -1.68 -0.09 0.00 -1.51 0.00 0.00 54.79 51.51 2i85 n ASP 81 Cb 0.00 0.20 -0.04 0.00 2.34 0.00 0.00 41.12 43.62 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 0.00 1.40 0.38 -0.67 0.74 -1.26 -5.04 119.66 115.22 2i85 s GLN 82 Ca 0.00 -0.93 -0.26 0.00 0.05 0.00 0.00 55.36 54.22 2i85 s GLN 82 Cb 0.00 0.51 -0.11 0.00 1.10 0.00 0.00 33.01 34.51 2i85 s GLN 82 CO 0.00 -0.59 1.09 -0.40 -0.55 0.00 0.00 175.29 174.84 2i85 n ASP 83 N -0.34 1.67 -4.70 6.67 5.75 -1.26 -4.22 116.55 120.12 2i85 n ASP 83 Ca -0.09 1.10 -0.35 0.00 -0.01 0.00 0.00 54.79 55.44 2i85 n ASP 83 Cb 0.62 -1.38 -0.09 0.00 -1.03 0.00 0.00 41.12 39.24 2i85 n ASP 83 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2i85 s ILE 84 N -1.20 4.68 -0.07 2.12 1.10 -0.48 -4.94 121.20 122.41 2i85 s ILE 84 Ca 0.61 -0.09 -0.03 0.00 -0.51 0.00 0.00 60.65 60.63 2i85 s ILE 84 Cb -0.58 -3.04 0.04 0.00 0.15 0.00 0.00 42.46 39.04 2i85 s ILE 84 CO 0.58 0.56 0.13 -0.54 -2.11 0.00 0.00 174.94 173.56 2i85 s LYS 85 N -0.43 0.01 -0.17 3.50 1.02 -1.26 -1.51 119.74 120.89 2i85 s LYS 85 Ca 0.09 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.54 2i85 s LYS 85 Cb -0.12 -0.31 0.06 0.00 -0.52 0.00 0.00 37.83 36.93 2i85 s LYS 85 CO 0.02 -0.29 0.05 0.12 -0.92 0.00 0.00 175.35 174.33 2i85 s PHE 86 N 2.12 0.71 -0.25 3.18 5.36 -0.35 -5.01 117.98 123.75 2i85 s PHE 86 Ca 0.02 -0.61 -0.10 0.00 -0.96 0.00 0.00 56.93 55.28 2i85 s PHE 86 Cb -0.12 -0.89 -0.05 0.00 -0.34 0.00 0.00 43.02 41.62 2i85 s PHE 86 CO -0.05 -0.55 0.15 -0.08 -1.46 0.00 0.00 175.22 173.23 2i85 s THR 87 N 1.96 5.22 0.06 0.12 -1.32 -1.26 -1.31 115.64 119.11 2i85 s THR 87 Ca 0.01 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2i85 s THR 87 Cb -0.16 -3.44 -0.03 0.00 -1.51 0.00 0.00 72.50 67.36 2i85 s THR 87 CO -0.08 0.33 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.82 2i85 s ILE 88 N 1.22 1.70 -0.03 5.08 1.01 -0.78 -5.03 121.20 124.37 2i85 s ILE 88 Ca 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.43 2i85 s ILE 88 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2i85 s ILE 88 CO 0.06 0.12 -0.11 -0.75 0.00 0.00 0.00 174.94 174.26 2i85 s LYS 89 N -1.42 1.10 -0.09 2.79 2.20 -1.26 -1.37 119.74 121.69 2i85 s LYS 89 Ca 0.07 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2i85 s LYS 89 Cb -0.09 -1.02 -0.16 0.00 -1.51 0.00 0.00 37.83 35.06 2i85 s LYS 89 CO 0.03 0.16 2.39 1.19 -0.36 0.00 0.00 175.35 178.76 2i85 n PHE 90 N 3.18 0.13 -1.60 4.03 3.72 0.23 -4.75 117.46 122.40 2i85 n PHE 90 Ca -0.17 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 2i85 n PHE 90 Cb 0.54 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 2i85 n PHE 90 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2i85 n GLN 91 N 2.82 0.00 -3.56 -1.08 7.27 -1.26 -1.21 117.38 120.35 2i85 n GLN 91 Ca 0.28 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.14 2i85 n GLN 91 Cb 0.52 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.25 2i85 n GLN 91 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2i85 n GLU 92 N 0.00 -6.81 -1.61 3.69 0.00 -1.26 -4.72 120.64 109.93 2i85 n GLU 92 Ca 0.00 0.79 -0.50 0.00 0.00 0.00 0.00 57.16 57.45 2i85 n GLU 92 Cb 0.00 -5.76 -0.05 0.00 0.00 0.00 0.00 31.44 25.63 2i85 n GLU 92 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 2i85 n PHE 93 N -4.51 1.67 -4.84 4.31 1.16 -1.26 -4.69 117.46 109.29 2i85 n PHE 93 Ca -0.16 0.56 -0.29 0.00 -1.87 0.00 0.00 57.45 55.69 2i85 n PHE 93 Cb 0.62 -2.37 -0.17 0.00 -1.61 0.00 0.00 39.48 35.95 2i85 n PHE 93 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2i85 s SER 94 N 0.47 2.61 0.55 5.98 0.15 -1.26 -4.99 113.70 117.20 2i85 s SER 94 Ca 0.80 -0.47 0.33 0.00 0.70 0.00 0.00 55.95 57.31 2i85 s SER 94 Cb -0.86 -1.19 1.49 0.00 -1.71 0.00 0.00 66.02 63.75 2i85 s SER 94 CO 0.46 0.09 2.04 1.55 1.20 0.00 0.00 173.24 178.58 2i85 h PRO 95 N 6.98 0.00 0.02 5.44 0.13 -2.02 -3.23 132.00 139.32 2i85 h PRO 95 Ca -0.26 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.56 2i85 h PRO 95 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2i85 h PRO 95 CO 0.48 0.06 -1.73 -1.71 -0.23 0.00 0.00 178.00 174.86 2i85 n ASN 96 N -3.23 1.92 -4.29 1.44 2.85 -1.26 -4.78 115.26 107.92 2i85 n ASN 96 Ca -0.00 0.35 -0.45 0.00 -0.11 0.00 0.00 54.58 54.37 2i85 n ASN 96 Cb 0.27 -0.89 -0.03 0.00 1.24 0.00 0.00 39.78 40.37 2i85 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2i85 s LEU 97 N -7.61 6.41 0.00 1.20 2.01 -1.22 -4.91 118.68 114.56 2i85 s LEU 97 Ca -0.31 -2.96 0.09 0.00 0.01 0.00 0.00 54.13 50.96 2i85 s LEU 97 Cb 0.08 -2.14 0.51 0.00 0.01 0.00 0.00 46.19 44.65 2i85 s LEU 97 CO 0.59 -0.46 1.05 -2.67 1.01 0.00 0.00 176.35 175.87 2i85 n TRP 98 N 3.55 0.00 -0.14 0.29 2.14 -1.25 -3.53 117.44 118.50 2i85 n TRP 98 Ca 0.16 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.60 2i85 n TRP 98 Cb 0.44 -0.10 -0.02 0.00 -0.81 0.00 0.00 31.31 30.82 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 2i85 h GLY 99 N 1.44 0.98 1.34 -1.67 0.00 -1.91 -3.10 103.07 100.16 2i85 h GLY 99 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.41 2i85 h GLY 99 CO 0.00 0.83 -0.53 1.41 0.00 0.00 0.00 176.54 178.25 2i85 h LEU 100 N 0.73 0.00 -9.87 3.11 3.38 -1.92 -3.46 115.31 107.28 2i85 h LEU 100 Ca 0.09 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 2i85 h LEU 100 Cb 0.83 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.67 2i85 h LEU 100 CO 0.07 0.06 0.80 -1.61 0.09 0.00 0.00 178.44 177.86 2i85 s GLU 101 N -3.19 4.15 0.67 1.13 2.02 -1.17 -4.62 118.70 117.68 2i85 s GLU 101 Ca 0.06 2.52 -0.09 0.00 0.02 0.00 0.00 54.97 57.48 2i85 s GLU 101 Cb 0.12 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.36 2i85 s GLU 101 CO 0.71 -0.53 1.03 -0.59 0.02 0.00 0.00 175.26 175.89 2i85 s PHE 102 N -0.64 3.24 0.50 1.61 -0.71 -1.26 -4.99 117.98 115.72 2i85 s PHE 102 Ca 0.57 0.83 0.02 0.00 -1.04 0.00 0.00 56.93 57.31 2i85 s PHE 102 Cb -0.46 -3.00 -0.02 0.00 -1.21 0.00 0.00 43.02 38.33 2i85 s PHE 102 CO 0.55 -1.12 0.00 -0.65 -1.34 0.00 0.00 175.22 172.67 2i85 s GLN 103 N -5.24 2.16 -0.05 1.99 1.11 -1.26 -5.09 119.66 113.29 2i85 s GLN 103 Ca 0.57 -2.36 0.05 0.00 0.01 0.00 0.00 55.36 53.63 2i85 s GLN 103 Cb -0.11 -1.55 -0.01 0.00 -1.01 0.00 0.00 33.01 30.34 2i85 s GLN 103 CO 0.49 -0.32 -0.21 0.21 0.01 0.00 0.00 175.29 175.46 2i85 s LYS 104 N -3.86 2.16 -1.60 2.91 2.20 -1.25 -3.18 119.74 117.12 2i85 s LYS 104 Ca 0.10 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.77 2i85 s LYS 104 Cb 0.03 -1.86 0.13 0.00 -1.51 0.00 0.00 37.83 34.62 2i85 s LYS 104 CO 0.05 0.33 0.77 0.09 -0.36 0.00 0.00 175.35 176.23 2i85 n ASN 105 N 3.00 -3.63 -4.53 1.43 3.02 -1.07 -4.95 115.26 108.53 2i85 n ASN 105 Ca -0.18 -0.86 -0.32 0.00 -0.03 0.00 0.00 54.58 53.19 2i85 n ASN 105 Cb 0.52 -2.96 -0.12 0.00 -0.61 0.00 0.00 39.78 36.62 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2i85 s LYS 106 N -6.72 2.42 -0.30 3.52 3.01 -0.94 -5.03 119.74 115.69 2i85 s LYS 106 Ca 0.68 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.86 2i85 s LYS 106 Cb -0.36 -2.39 0.09 0.00 -1.01 0.00 0.00 37.83 34.16 2i85 s LYS 106 CO 0.83 0.59 0.07 -0.51 0.51 0.00 0.00 175.35 176.85 2i85 s ASP 107 N -1.24 4.10 0.34 2.83 1.11 -1.26 -1.68 116.67 120.87 2i85 s ASP 107 Ca 0.15 -1.65 -0.27 0.00 0.18 0.00 0.00 52.55 50.96 2i85 s ASP 107 Cb -0.11 -1.04 -0.09 0.00 1.07 0.00 0.00 42.92 42.75 2i85 s ASP 107 CO 0.05 -0.38 1.12 -0.31 1.18 0.00 0.00 175.17 176.83 2i85 s TYR 108 N 1.46 3.35 0.07 4.23 2.02 -0.22 -4.95 117.35 123.30 2i85 s TYR 108 Ca 0.08 1.63 0.09 0.00 -0.37 0.00 0.00 57.07 58.50 2i85 s TYR 108 Cb -0.18 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.04 2i85 s TYR 108 CO -0.19 -0.86 -0.23 0.71 -1.57 0.00 0.00 175.55 173.41 2i85 s TYR 109 N -1.32 2.42 -0.00 2.71 1.51 -1.26 -2.15 117.35 119.26 2i85 s TYR 109 Ca 0.51 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.13 2i85 s TYR 109 Cb -0.30 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2i85 s TYR 109 CO 0.39 0.24 0.20 0.42 -1.11 0.00 0.00 175.55 175.68 2i85 s ILE 110 N -0.93 0.08 0.14 2.71 1.01 -0.85 -1.61 121.20 121.74 2i85 s ILE 110 Ca 0.14 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2i85 s ILE 110 Cb -0.10 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2i85 s ILE 110 CO 0.05 -0.35 0.04 -0.51 0.00 0.00 0.00 174.94 174.17 2i85 s ILE 111 N -1.44 0.27 0.21 2.92 2.07 -0.41 -2.13 121.20 122.69 2i85 s ILE 111 Ca -0.14 -1.93 -0.07 0.00 -1.41 0.00 0.00 60.65 57.10 2i85 s ILE 111 Cb -0.06 -2.07 -0.02 0.00 0.13 0.00 0.00 42.46 40.44 2i85 s ILE 111 CO 0.02 -0.47 0.29 -0.55 -1.91 0.00 0.00 174.94 172.33 2i85 s SER 112 N -3.09 0.04 -0.36 4.50 0.15 -0.55 -2.11 113.70 112.28 2i85 s SER 112 Ca 0.24 -1.13 0.13 0.00 0.70 0.00 0.00 55.95 55.89 2i85 s SER 112 Cb 0.07 0.47 0.45 0.00 -1.71 0.00 0.00 66.02 65.30 2i85 s SER 112 CO 0.02 -0.97 1.03 0.35 1.20 0.00 0.00 173.24 174.88 2i85 n THR 113 N -0.31 1.61 0.22 6.45 -2.24 -1.26 -4.40 114.28 114.36 2i85 n THR 113 Ca -0.01 -3.82 0.12 0.00 -2.27 0.00 0.00 64.05 58.07 2i85 n THR 113 Cb 0.64 -0.12 0.63 0.00 -2.10 0.00 0.00 70.33 69.38 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 2.77 0.00 -0.25 3.42 0.87 -1.94 0.79 113.55 119.21 2i85 h SER 114 Ca 0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2i85 h SER 114 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2i85 h SER 114 CO 0.63 0.00 0.16 0.78 -0.53 0.00 0.00 176.83 177.86 2i85 h ASN 115 N 0.00 0.31 -7.08 6.23 4.21 -1.94 -3.47 115.58 113.84 2i85 h ASN 115 Ca 0.00 -0.01 -0.61 0.00 1.21 0.00 0.00 56.30 56.89 2i85 h ASN 115 Cb 0.39 -0.08 -0.29 0.00 -1.12 0.00 0.00 38.32 37.23 2i85 h ASN 115 CO 0.00 0.24 -0.92 0.61 -1.29 0.00 0.00 177.43 176.06 2i85 n GLY 116 N -1.46 -0.29 3.49 2.83 0.00 0.27 -4.90 105.19 105.13 2i85 n GLY 116 Ca 0.01 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.66 -1.10 -0.21 1.61 2.88 -1.26 -4.52 113.62 108.35 2i85 n SER 117 Ca -0.07 0.49 0.03 0.00 -1.33 0.00 0.00 58.87 57.99 2i85 n SER 117 Cb 0.56 -1.27 0.29 0.00 -0.75 0.00 0.00 64.21 63.04 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 -0.92 0.79 -1.56 2.46 7.12 -1.99 0.14 115.31 121.35 2i85 h LEU 118 Ca -0.45 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.51 2i85 h LEU 118 Cb 1.31 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 2i85 h LEU 118 CO 0.40 0.54 -0.21 -0.33 -0.13 0.00 0.00 178.44 178.71 2i85 h GLU 119 N 0.91 0.00 -0.24 1.25 5.08 -1.98 -3.15 114.58 116.45 2i85 h GLU 119 Ca 0.30 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 2i85 h GLU 119 Cb 0.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2i85 h GLU 119 CO -0.09 0.21 -0.09 0.41 -1.00 0.00 0.00 179.01 178.46 2i85 n GLY 120 N -0.46 4.68 0.24 -3.84 0.00 -0.23 -4.49 105.19 101.09 2i85 n GLY 120 Ca -0.01 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.86 2i85 n GLY 120 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2i85 h LEU 121 N 1.09 0.20 0.00 0.99 8.10 -0.77 -3.39 115.31 121.53 2i85 h LEU 121 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.06 2i85 h LEU 121 Cb 1.44 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.61 2i85 h LEU 121 CO 0.25 0.36 0.00 -0.67 -4.11 0.00 0.00 178.44 174.27 2i85 n ASP 122 N -4.27 0.00 -4.68 0.17 2.03 -1.26 -5.02 116.55 103.51 2i85 n ASP 122 Ca -0.01 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.96 2i85 n ASP 122 Cb 0.27 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.79 2i85 n ASP 122 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2i85 n ASN 123 N -0.62 1.06 -3.43 1.67 4.13 -1.26 -4.92 115.26 111.89 2i85 n ASN 123 Ca 0.00 0.62 -0.37 0.00 1.68 0.00 0.00 54.58 56.51 2i85 n ASN 123 Cb 0.00 -1.50 -0.02 0.00 -1.54 0.00 0.00 39.78 36.72 2i85 n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i85 n GLN 124 N -2.92 3.00 -4.25 3.52 3.00 -1.26 -4.59 117.38 113.88 2i85 n GLN 124 Ca 0.14 -2.16 -0.29 0.00 -0.01 0.00 0.00 57.00 54.68 2i85 n GLN 124 Cb 0.50 -2.89 -0.17 0.00 0.00 0.00 0.00 30.24 27.69 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 2.92 2.25 0.64 -1.09 2.02 -1.26 -1.46 118.70 122.72 2i85 s GLU 125 Ca 0.57 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 55.05 2i85 s GLU 125 Cb 0.15 -1.99 0.10 0.00 0.10 0.00 0.00 34.13 32.49 2i85 s GLU 125 CO -0.05 -0.14 0.88 0.20 0.02 0.00 0.00 175.26 176.17 2i85 s GLY 126 N 1.22 1.76 0.00 -1.39 0.00 -1.02 -4.57 107.32 103.32 2i85 s GLY 126 Ca -0.01 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.81 2i85 s GLY 126 CO -0.06 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.25 2i85 n GLY 127 N -2.52 0.05 0.23 0.20 0.00 -1.26 -4.80 105.19 97.10 2i85 n GLY 127 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.30 -0.52 1.61 -1.51 -1.91 -3.21 116.25 112.02 2i85 h VAL 128 Ca 0.00 -1.66 0.15 0.00 -1.23 0.00 0.00 66.70 63.96 2i85 h VAL 128 Cb 0.00 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 2i85 h VAL 128 CO 0.00 0.53 0.45 0.00 -1.23 0.00 0.00 177.57 177.32 2i85 h GLN 130 N 0.00 0.37 0.00 0.00 4.15 -1.84 -3.20 115.11 114.60 2i85 h GLN 130 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2i85 h GLN 130 Cb 1.14 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2i85 h GLN 130 CO -0.00 0.24 0.00 2.41 -1.93 0.00 0.00 178.83 179.55 2i85 n THR 131 N -4.48 0.00 0.27 2.39 -1.04 -0.64 -4.81 114.28 105.96 2i85 n THR 131 Ca 0.04 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.21 2i85 n THR 131 Cb 0.17 -0.43 0.90 0.00 -1.82 0.00 0.00 70.33 69.16 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 -6.23 -2.82 2.47 -1.24 -3.47 114.38 103.09 2i85 h ARG 132 Ca 0.00 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.27 2i85 h ARG 132 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2i85 h ARG 132 CO 0.00 0.00 -0.84 0.00 0.56 0.00 0.00 179.97 179.69 2i85 n ALA 133 N -2.30 -1.97 -2.01 0.04 0.00 -0.78 -4.10 120.51 109.39 2i85 n ALA 133 Ca -0.01 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 2i85 n ALA 133 Cb 0.19 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 -6.19 2.44 0.20 0.00 1.75 -1.26 -3.49 119.30 112.74 2i85 s MET 134 Ca 0.04 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 2i85 s MET 134 Cb -0.02 -5.10 -0.05 0.00 2.84 0.00 0.00 34.83 32.50 2i85 s MET 134 CO 0.84 -3.70 0.08 -1.59 -0.65 0.00 0.00 175.02 169.99 2i85 s LYS 135 N 6.98 1.20 -0.03 4.11 0.00 -1.22 -1.48 119.74 129.30 2i85 s LYS 135 Ca 0.71 -1.62 -0.02 0.00 0.00 0.00 0.00 55.97 55.05 2i85 s LYS 135 Cb -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 37.83 37.76 2i85 s LYS 135 CO 0.05 -0.27 0.07 -1.50 0.00 0.00 0.00 175.35 173.69 2i85 s ILE 136 N -3.89 -0.02 -0.16 3.79 -1.16 -0.91 -2.25 121.20 116.60 2i85 s ILE 136 Ca 0.32 0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 60.49 2i85 s ILE 136 Cb 0.07 -0.12 -0.04 0.00 0.61 0.00 0.00 42.46 42.99 2i85 s ILE 136 CO 0.09 0.03 0.03 -0.76 -2.81 0.00 0.00 174.94 171.52 2i85 s LEU 137 N 0.47 3.68 -0.38 8.50 1.43 -1.18 -2.01 118.68 129.19 2i85 s LEU 137 Ca -0.04 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2i85 s LEU 137 Cb -0.05 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.37 2i85 s LEU 137 CO -0.02 0.22 0.13 -0.04 0.23 0.00 0.00 176.35 176.87 2i85 s MET 138 N 0.10 1.72 0.20 1.70 -1.94 -0.92 -2.18 119.30 117.98 2i85 s MET 138 Ca 0.04 -1.92 -0.25 0.00 -1.71 0.00 0.00 55.69 51.84 2i85 s MET 138 Cb -0.13 -3.36 -0.08 0.00 2.01 0.00 0.00 34.83 33.27 2i85 s MET 138 CO 0.01 -1.00 0.80 0.15 -0.01 0.00 0.00 175.02 174.97 2i85 s LYS 139 N 0.88 4.55 -0.07 2.03 1.02 -1.26 -1.06 119.74 125.83 2i85 s LYS 139 Ca 0.11 1.16 -0.03 0.00 0.02 0.00 0.00 55.97 57.22 2i85 s LYS 139 Cb -0.21 -3.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2i85 s LYS 139 CO -0.06 0.51 0.15 0.14 -0.92 0.00 0.00 175.35 175.17 2i85 s VAL 140 N -1.26 -0.17 -0.03 3.17 -7.23 -0.68 -3.53 120.40 110.67 2i85 s VAL 140 Ca 0.39 0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.83 2i85 s VAL 140 Cb -0.22 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2i85 s VAL 140 CO 0.26 0.12 0.04 0.61 -0.31 0.00 0.00 175.10 175.82 2i85 n GLY 141 N 4.89 -3.72 0.00 2.32 0.00 -1.19 -2.22 105.19 105.27 2i85 n GLY 141 Ca -0.13 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26