#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i85 s LYS 2 N 0.00 3.02 -0.48 4.33 2.20 -1.26 -5.03 119.74 122.52 2i85 s LYS 2 Ca 0.00 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.94 2i85 s LYS 2 Cb 0.00 -2.17 0.22 0.00 -1.51 0.00 0.00 37.83 34.37 2i85 s LYS 2 CO 0.00 -0.77 0.74 0.43 -0.36 0.00 0.00 175.35 175.40 2i85 n SER 3 N -2.73 -2.38 -2.76 1.43 7.64 -0.84 -4.12 113.62 109.86 2i85 n SER 3 Ca 0.05 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.90 2i85 n SER 3 Cb 0.57 1.24 0.00 0.00 -1.01 0.00 0.00 64.21 65.01 2i85 n SER 3 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2i85 n ILE 4 N 2.05 0.00 -3.44 0.44 -0.00 -0.98 -4.94 119.36 112.50 2i85 n ILE 4 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.71 2i85 n ILE 4 Cb 0.58 -1.99 -0.11 0.00 -0.00 0.00 0.00 39.64 38.12 2i85 n ILE 4 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2i85 s VAL 5 N -0.20 -0.35 0.40 7.28 -7.23 -1.26 -3.22 120.40 115.81 2i85 s VAL 5 Ca 0.00 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 2i85 s VAL 5 Cb 0.00 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 36.05 2i85 s VAL 5 CO 0.00 -0.44 0.25 0.18 -0.31 0.00 0.00 175.10 174.78 2i85 n LEU 6 N 5.31 0.00 -4.26 1.32 4.77 -0.34 -4.79 117.00 119.01 2i85 n LEU 6 Ca -0.03 -2.15 -0.31 0.00 -0.03 0.00 0.00 56.01 53.49 2i85 n LEU 6 Cb 0.46 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2i85 n LEU 6 CO 0.03 -0.47 -0.41 1.21 -1.33 0.00 0.00 177.39 176.42 2i85 n GLU 7 N -1.37 -1.45 -2.15 3.23 2.13 -1.26 -4.14 120.64 115.63 2i85 n GLU 7 Ca -0.04 0.16 -0.38 0.00 0.66 0.00 0.00 57.16 57.56 2i85 n GLU 7 Cb 0.46 -3.86 -0.03 0.00 0.27 0.00 0.00 31.44 28.28 2i85 n GLU 7 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2i85 s PRO 8 N -7.20 2.75 -0.43 5.31 0.04 -1.26 -4.19 135.00 130.01 2i85 s PRO 8 Ca 0.06 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 2i85 s PRO 8 Cb -0.03 -4.40 0.04 0.00 0.04 0.00 0.00 34.50 30.15 2i85 s PRO 8 CO 0.98 -2.64 0.33 0.42 0.04 0.00 0.00 177.00 176.12 2i85 s ILE 9 N 8.39 5.17 -0.71 0.56 -1.09 -1.10 -4.83 121.20 127.58 2i85 s ILE 9 Ca 0.60 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2i85 s ILE 9 Cb -0.11 -3.97 0.26 0.00 -1.58 0.00 0.00 42.46 37.06 2i85 s ILE 9 CO 0.18 -0.42 0.87 -1.22 -1.23 0.00 0.00 174.94 173.12 2i85 n TYR 10 N 5.16 3.43 0.00 3.97 4.01 -1.26 -2.24 117.16 130.23 2i85 n TYR 10 Ca -0.12 -3.90 0.00 0.00 -0.16 0.00 0.00 57.90 53.73 2i85 n TYR 10 Cb 0.45 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 2i85 n TYR 10 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2i85 n TRP 11 N 0.92 0.00 -2.71 -0.72 8.01 -0.37 -3.37 117.44 119.20 2i85 n TRP 11 Ca 0.29 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.42 2i85 n TRP 11 Cb 0.40 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.78 2i85 n TRP 11 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2i85 n ASN 12 N 3.38 -2.06 -4.97 -0.99 5.15 -1.26 -4.87 115.26 109.63 2i85 n ASN 12 Ca 0.00 -2.85 -0.19 0.00 -0.60 0.00 0.00 54.58 50.93 2i85 n ASN 12 Cb 0.00 1.52 -0.01 0.00 -0.53 0.00 0.00 39.78 40.76 2i85 n ASN 12 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2i85 s SER 13 N -0.97 5.92 0.38 1.20 0.15 -1.22 -5.10 113.70 114.07 2i85 s SER 13 Ca 0.25 -0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 2i85 s SER 13 Cb 0.26 -1.25 -0.09 0.00 -1.71 0.00 0.00 66.02 63.23 2i85 s SER 13 CO -0.14 -0.39 1.31 -0.55 1.20 0.00 0.00 173.24 174.66 2i85 s SER 14 N -4.14 6.45 0.43 5.45 0.15 -1.26 -4.89 113.70 115.89 2i85 s SER 14 Ca 0.44 2.67 0.07 0.00 0.70 0.00 0.00 55.95 59.82 2i85 s SER 14 Cb -0.09 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 2i85 s SER 14 CO 0.30 -0.76 0.09 0.21 1.20 0.00 0.00 173.24 174.29 2i85 s ASN 15 N -0.66 4.14 0.23 5.45 3.84 -1.26 -4.97 114.94 121.71 2i85 s ASN 15 Ca 0.54 -1.28 -0.07 0.00 0.21 0.00 0.00 52.86 52.27 2i85 s ASN 15 Cb -0.39 -0.32 0.26 0.00 -0.55 0.00 0.00 41.25 40.26 2i85 s ASN 15 CO 0.50 -0.55 1.88 -1.28 -2.79 0.00 0.00 177.10 174.86 2i85 h SER 16 N 1.56 0.90 0.69 -4.21 0.87 -1.97 -3.04 113.55 108.35 2i85 h SER 16 Ca -0.43 -0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.86 2i85 h SER 16 Cb 1.25 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2i85 h SER 16 CO 0.75 0.62 -1.30 0.11 -0.53 0.00 0.00 176.83 176.48 2i85 h LYS 17 N 1.06 0.14 -6.72 2.24 1.79 -1.93 -3.49 116.57 109.65 2i85 h LYS 17 Ca 0.34 -0.25 -0.52 0.00 -2.18 0.00 0.00 60.65 58.04 2i85 h LYS 17 Cb 0.01 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2i85 h LYS 17 CO -0.12 1.03 -0.99 0.34 -1.08 0.00 0.00 179.45 178.64 2i85 n PHE 18 N -3.39 -1.69 -3.63 -1.35 7.35 -1.15 -3.01 117.46 110.57 2i85 n PHE 18 Ca -0.09 0.36 -0.23 0.00 -0.76 0.00 0.00 57.45 56.73 2i85 n PHE 18 Cb 1.00 -2.93 0.00 0.00 0.35 0.00 0.00 39.48 37.91 2i85 n PHE 18 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2i85 n LEU 19 N -4.19 -1.26 0.00 -2.13 -0.00 -1.17 -4.84 117.00 103.41 2i85 n LEU 19 Ca -0.16 -0.84 0.08 0.00 -0.00 0.00 0.00 56.01 55.09 2i85 n LEU 19 Cb 0.60 -1.29 0.43 0.00 -0.00 0.00 0.00 43.42 43.16 2i85 n LEU 19 CO 0.70 0.39 0.75 -0.81 -0.00 0.00 0.00 177.39 178.41 2i85 n PRO 20 N -2.53 0.26 0.00 1.47 -0.04 -1.17 -4.69 135.00 128.29 2i85 n PRO 20 Ca -0.24 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2i85 n PRO 20 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.15 0.58 0.00 0.55 0.00 -1.26 -4.98 105.19 100.23 2i85 n GLY 21 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.70 0.00 1.61 7.27 -1.26 -4.72 117.38 120.97 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 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.64 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 3.40 1.11 2.77 1.69 0.00 -1.07 -2.38 105.19 110.71 2i85 n GLY 23 Ca -0.01 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.13 0.16 0.99 0.20 -0.85 -3.05 118.68 115.99 2i85 s LEU 24 Ca 0.00 -0.14 -0.30 0.00 0.69 0.00 0.00 54.13 54.38 2i85 s LEU 24 Cb 0.00 0.42 -0.07 0.00 -0.43 0.00 0.00 46.19 46.11 2i85 s LEU 24 CO 0.00 -0.32 1.05 -0.69 -0.29 0.00 0.00 176.35 176.10 2i85 s VAL 25 N 2.34 4.07 0.25 1.68 1.01 -1.26 -3.84 120.40 124.65 2i85 s VAL 25 Ca 0.07 1.78 0.06 0.00 0.00 0.00 0.00 61.98 63.88 2i85 s VAL 25 Cb -0.15 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2i85 s VAL 25 CO -0.12 0.30 0.32 -0.76 0.00 0.00 0.00 175.10 174.84 2i85 s LEU 26 N -0.30 4.16 -0.61 3.92 2.01 -0.74 -4.92 118.68 122.20 2i85 s LEU 26 Ca 0.48 -0.03 -0.03 0.00 0.01 0.00 0.00 54.13 54.56 2i85 s LEU 26 Cb -0.27 -2.71 0.16 0.00 0.01 0.00 0.00 46.19 43.38 2i85 s LEU 26 CO 0.33 -0.07 0.42 -0.31 1.01 0.00 0.00 176.35 177.73 2i85 s TYR 27 N -2.03 3.41 -1.18 0.29 2.02 -1.26 -4.48 117.35 114.11 2i85 s TYR 27 Ca 0.34 -2.72 -0.08 0.00 -0.37 0.00 0.00 57.07 54.23 2i85 s TYR 27 Cb -0.09 -3.19 -0.07 0.00 -0.40 0.00 0.00 41.96 38.22 2i85 s TYR 27 CO 0.28 -0.84 2.41 -0.35 -1.57 0.00 0.00 175.55 175.47 2i85 n PRO 28 N 3.52 2.66 -4.60 -1.71 -0.04 -1.26 -4.86 135.00 128.70 2i85 n PRO 28 Ca 0.07 -1.79 -0.25 0.00 -0.04 0.00 0.00 63.50 61.50 2i85 n PRO 28 Cb 0.38 -2.63 -0.17 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.05 1.77 -0.12 0.54 -1.52 -1.26 -4.79 119.66 117.33 2i85 s GLN 29 Ca 0.51 -0.43 -0.29 0.00 -1.95 0.00 0.00 55.36 53.20 2i85 s GLN 29 Cb 0.13 -1.46 -0.04 0.00 -0.22 0.00 0.00 33.01 31.42 2i85 s GLN 29 CO -0.04 0.03 1.65 0.42 -0.25 0.00 0.00 175.29 177.10 2i85 s ILE 30 N 0.68 3.62 0.00 1.08 -1.09 -1.26 -2.91 121.20 121.32 2i85 s ILE 30 Ca -0.14 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2i85 s ILE 30 Cb -0.16 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2i85 s ILE 30 CO 0.04 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 2i85 n GLY 31 N 4.36 1.15 3.62 6.18 0.00 -1.21 -4.81 105.19 114.47 2i85 n GLY 31 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.80 4.20 0.02 1.61 2.15 -1.15 -1.99 116.67 120.72 2i85 s ASP 32 Ca 0.00 -0.93 -0.04 0.00 0.43 0.00 0.00 52.55 52.01 2i85 s ASP 32 Cb 0.00 -0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 42.04 2i85 s ASP 32 CO 0.00 -0.17 0.06 -0.54 -0.17 0.00 0.00 175.17 174.35 2i85 s LYS 33 N -3.69 0.44 -0.03 4.34 1.02 -1.20 -1.13 119.74 119.49 2i85 s LYS 33 Ca 0.34 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2i85 s LYS 33 Cb -0.02 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 2i85 s LYS 33 CO 0.19 -0.09 -0.02 -0.48 -0.92 0.00 0.00 175.35 174.03 2i85 s LEU 34 N -1.57 1.41 -0.25 3.17 -0.00 -0.05 -1.20 118.68 120.19 2i85 s LEU 34 Ca -0.13 -0.06 0.02 0.00 -0.00 0.00 0.00 54.13 53.97 2i85 s LEU 34 Cb -0.07 -0.26 0.06 0.00 -0.00 0.00 0.00 46.19 45.92 2i85 s LEU 34 CO -0.01 -0.05 -0.10 1.51 -0.00 0.00 0.00 176.35 177.70 2i85 s ASP 35 N 0.72 4.26 -0.14 1.48 -4.77 -1.26 -1.20 116.67 115.76 2i85 s ASP 35 Ca -0.08 -1.32 -0.19 0.00 -3.30 0.00 0.00 52.55 47.67 2i85 s ASP 35 Cb -0.11 -1.46 -0.04 0.00 -1.09 0.00 0.00 42.92 40.22 2i85 s ASP 35 CO -0.01 -0.19 0.50 -0.51 0.70 0.00 0.00 175.17 175.66 2i85 s ILE 36 N 1.17 5.16 -0.05 2.11 2.07 -0.14 -2.71 121.20 128.81 2i85 s ILE 36 Ca -0.08 0.98 -0.01 0.00 -1.41 0.00 0.00 60.65 60.14 2i85 s ILE 36 Cb -0.19 -3.84 0.03 0.00 0.13 0.00 0.00 42.46 38.59 2i85 s ILE 36 CO -0.06 0.28 0.02 -0.63 -1.91 0.00 0.00 174.94 172.65 2i85 s ILE 37 N 0.90 0.12 -0.01 2.00 1.01 -0.95 -1.36 121.20 122.90 2i85 s ILE 37 Ca 0.26 0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.16 2i85 s ILE 37 Cb -0.15 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2i85 s ILE 37 CO 0.11 0.19 -0.05 0.00 0.00 0.00 0.00 174.94 175.19 2i85 h PRO 39 N 6.23 0.20 -3.27 0.00 0.13 -1.90 -2.19 132.00 131.20 2i85 h PRO 39 Ca -0.30 -0.35 0.27 0.00 -0.87 0.00 0.00 66.00 64.75 2i85 h PRO 39 Cb 1.18 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.29 2i85 h PRO 39 CO 0.50 1.01 -1.15 1.17 -0.23 0.00 0.00 178.00 179.31 2i85 n LYS 40 N -3.37 -3.20 -2.03 0.86 0.00 -1.26 -3.32 118.16 105.83 2i85 n LYS 40 Ca -0.23 2.60 -0.43 0.00 0.00 0.00 0.00 58.31 60.26 2i85 n LYS 40 Cb 1.05 -3.62 -0.03 0.00 0.00 0.00 0.00 35.03 32.43 2i85 n LYS 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2i85 s VAL 41 N -4.38 3.61 0.00 3.15 0.11 -1.26 -4.80 120.40 116.83 2i85 s VAL 41 Ca 0.00 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2i85 s VAL 41 Cb 0.00 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2i85 s VAL 41 CO 0.00 -0.14 0.00 -0.90 -3.33 0.00 0.00 175.10 170.73 2i85 n ASP 42 N 7.73 0.00 0.11 3.54 5.68 -1.26 -4.92 116.55 127.43 2i85 n ASP 42 Ca 0.18 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.29 2i85 n ASP 42 Cb 0.44 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.28 2i85 n ASP 42 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2i85 h SER 43 N 0.00 0.57 1.27 -1.12 0.87 -1.96 -3.35 113.55 109.83 2i85 h SER 43 Ca 0.00 -0.59 -0.11 0.00 -1.23 0.00 0.00 61.79 59.85 2i85 h SER 43 Cb 0.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2i85 h SER 43 CO 0.00 1.45 -0.54 0.11 -0.53 0.00 0.00 176.83 177.32 2i85 h LYS 44 N 0.12 0.00 -6.49 2.24 1.79 -1.94 -3.48 116.57 108.81 2i85 h LYS 44 Ca -0.17 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.81 2i85 h LYS 44 Cb 1.99 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.60 2i85 h LYS 44 CO 0.22 0.54 -0.89 2.41 -1.08 0.00 0.00 179.45 180.65 2i85 n THR 45 N -3.32 -3.22 -0.01 -0.16 -1.04 -1.26 -4.92 114.28 100.36 2i85 n THR 45 Ca 0.01 -0.53 -0.02 0.00 -2.04 0.00 0.00 64.05 61.47 2i85 n THR 45 Cb 0.71 -2.74 -0.01 0.00 -1.82 0.00 0.00 70.33 66.46 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 -4.40 0.16 0.29 12.58 0.24 -1.26 -4.66 118.33 121.29 2i85 n VAL 46 Ca -0.30 -0.07 0.16 0.00 -2.04 0.00 0.00 64.34 62.10 2i85 n VAL 46 Cb 0.68 -0.64 0.86 0.00 -1.47 0.00 0.00 33.84 33.27 2i85 n VAL 46 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2i85 h GLY 47 N 0.25 0.00 -5.88 7.63 0.00 -1.91 -3.48 103.07 99.67 2i85 h GLY 47 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 2i85 h GLY 47 CO -0.01 0.00 -0.71 -1.06 0.00 0.00 0.00 176.54 174.76 2i85 n GLN 48 N -3.42 -1.95 -3.47 4.80 6.02 -1.26 -3.97 117.38 114.12 2i85 n GLN 48 Ca -0.02 1.62 -0.16 0.00 -0.01 0.00 0.00 57.00 58.43 2i85 n GLN 48 Cb 0.20 -4.15 0.01 0.00 1.02 0.00 0.00 30.24 27.32 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 -0.85 -2.41 -3.68 1.08 9.36 -1.26 -5.04 117.16 114.35 2i85 n TYR 49 Ca -0.02 0.89 -0.16 0.00 3.32 0.00 0.00 57.90 61.93 2i85 n TYR 49 Cb 0.57 -3.44 -0.15 0.00 -0.63 0.00 0.00 39.34 35.68 2i85 n TYR 49 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2i85 s GLU 50 N -4.32 0.04 0.01 2.98 0.41 -1.25 -5.15 118.70 111.41 2i85 s GLU 50 Ca 0.08 0.52 -0.08 0.00 -0.41 0.00 0.00 54.97 55.09 2i85 s GLU 50 Cb -0.03 -0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 2i85 s GLU 50 CO 0.83 -0.28 0.15 1.52 -0.49 0.00 0.00 175.26 176.99 2i85 s TYR 51 N 2.07 0.04 0.10 1.61 -0.85 -1.26 -4.51 117.35 114.54 2i85 s TYR 51 Ca 0.01 -0.15 0.02 0.00 -0.52 0.00 0.00 57.07 56.43 2i85 s TYR 51 Cb -0.12 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 2i85 s TYR 51 CO -0.06 -0.31 -0.07 0.71 -1.52 0.00 0.00 175.55 174.30 2i85 s TYR 52 N -1.58 0.92 -0.41 -3.49 2.02 -0.14 -4.97 117.35 109.70 2i85 s TYR 52 Ca -0.13 -0.84 0.04 0.00 -0.37 0.00 0.00 57.07 55.76 2i85 s TYR 52 Cb -0.06 -0.52 0.17 0.00 -0.40 0.00 0.00 41.96 41.14 2i85 s TYR 52 CO 0.01 -0.11 0.36 -1.59 -1.57 0.00 0.00 175.55 172.64 2i85 s LYS 53 N -3.53 0.85 0.29 -0.62 -2.85 -1.24 -2.36 119.74 110.27 2i85 s LYS 53 Ca 0.10 -1.84 -0.30 0.00 -1.00 0.00 0.00 55.97 52.93 2i85 s LYS 53 Cb 0.03 -1.24 -0.11 0.00 -2.06 0.00 0.00 37.83 34.45 2i85 s LYS 53 CO -0.03 -1.35 1.57 0.08 0.10 0.00 0.00 175.35 175.72 2i85 s VAL 54 N 0.36 2.16 -0.14 1.79 1.01 -0.59 -4.42 120.40 120.56 2i85 s VAL 54 Ca 0.30 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 2i85 s VAL 54 Cb -0.01 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.33 2i85 s VAL 54 CO -0.15 0.02 0.35 -0.31 0.00 0.00 0.00 175.10 175.02 2i85 s TYR 55 N -0.04 -0.47 -0.02 5.22 2.02 -0.51 -0.92 117.35 122.64 2i85 s TYR 55 Ca 0.62 1.06 -0.30 0.00 -0.37 0.00 0.00 57.07 58.08 2i85 s TYR 55 Cb -0.47 0.17 -0.05 0.00 -0.40 0.00 0.00 41.96 41.21 2i85 s TYR 55 CO 0.48 -0.26 1.49 0.00 -1.57 0.00 0.00 175.55 175.68 2i85 s MET 56 N 0.94 4.24 0.08 -0.62 0.23 -1.26 -1.57 119.30 121.34 2i85 s MET 56 Ca -0.06 2.04 -0.21 0.00 -1.03 0.00 0.00 55.69 56.43 2i85 s MET 56 Cb -0.07 -3.70 0.05 0.00 -1.53 0.00 0.00 34.83 29.58 2i85 s MET 56 CO -0.07 -0.68 0.51 0.14 -2.03 0.00 0.00 175.02 172.88 2i85 s VAL 57 N 2.97 0.03 1.01 5.16 -7.23 -0.89 -4.90 120.40 116.56 2i85 s VAL 57 Ca 0.67 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 2i85 s VAL 57 Cb -0.32 -1.02 0.20 0.00 0.56 0.00 0.00 36.38 35.80 2i85 s VAL 57 CO 0.27 -0.15 1.08 -1.81 -0.31 0.00 0.00 175.10 174.17 2i85 s ASP 58 N -2.28 2.31 0.54 4.85 1.01 -1.26 -3.71 116.67 118.12 2i85 s ASP 58 Ca -0.02 1.63 0.27 0.00 0.71 0.00 0.00 52.55 55.14 2i85 s ASP 58 Cb -0.00 -2.29 1.43 0.00 1.01 0.00 0.00 42.92 43.08 2i85 s ASP 58 CO -0.06 -3.39 1.96 0.07 0.21 0.00 0.00 175.17 173.96 2i85 h LYS 59 N -2.07 0.00 -0.54 8.23 2.10 -1.98 -1.72 116.57 120.59 2i85 h LYS 59 Ca -0.53 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.07 2i85 h LYS 59 Cb 1.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 2i85 h LYS 59 CO 0.50 0.00 0.13 0.22 -2.00 0.00 0.00 179.45 178.31 2i85 h ASP 60 N 0.00 0.76 0.35 7.07 3.58 -1.99 0.21 116.42 126.40 2i85 h ASP 60 Ca 0.29 -0.13 -0.22 0.00 0.42 0.00 0.00 57.03 57.38 2i85 h ASP 60 Cb 1.18 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2i85 h ASP 60 CO -0.00 0.74 -0.92 1.56 -2.88 0.00 0.00 179.24 177.74 2i85 h GLN 61 N 0.79 0.40 -0.02 0.28 1.08 -1.61 -2.52 115.11 113.50 2i85 h GLN 61 Ca 0.18 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2i85 h GLN 61 Cb 0.28 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2i85 h GLN 61 CO -0.00 1.09 0.01 0.00 -0.95 0.00 0.00 178.83 178.98 2i85 h ALA 62 N 0.77 1.90 0.03 3.87 0.00 -0.99 -0.41 119.26 124.42 2i85 h ALA 62 Ca -0.07 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 2i85 h ALA 62 Cb 1.56 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.37 2i85 h ALA 62 CO 0.16 -0.02 -1.08 0.22 0.00 0.00 0.00 179.25 178.52 2i85 h ASP 63 N 0.00 0.90 1.60 0.00 3.58 -0.78 -3.27 116.42 118.45 2i85 h ASP 63 Ca 0.01 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 2i85 h ASP 63 Cb 0.03 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.81 2i85 h ASP 63 CO -0.00 1.55 0.00 0.03 -2.88 0.00 0.00 179.24 177.94 2i85 h ARG 64 N 0.34 0.00 -5.34 0.28 2.47 -1.27 -3.48 114.38 107.39 2i85 h ARG 64 Ca -0.15 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.17 2i85 h ARG 64 Cb 1.75 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 30.18 2i85 h ARG 64 CO 0.21 0.00 -0.65 0.00 0.56 0.00 0.00 179.97 180.09 2i85 s THR 66 N -3.27 0.99 0.26 0.00 -4.23 -1.02 -1.07 115.64 107.30 2i85 s THR 66 Ca 0.49 -1.15 -0.09 0.00 -1.18 0.00 0.00 61.69 59.75 2i85 s THR 66 Cb -0.21 -0.95 -0.07 0.00 1.34 0.00 0.00 72.50 72.60 2i85 s THR 66 CO 0.60 -0.18 0.59 -0.63 -0.54 0.00 0.00 174.62 174.46 2i85 s ILE 67 N -1.15 4.91 0.15 2.99 -1.09 0.07 -4.58 121.20 122.50 2i85 s ILE 67 Ca -0.02 0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 58.56 2i85 s ILE 67 Cb -0.09 -3.64 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2i85 s ILE 67 CO 0.02 -0.16 1.07 -0.75 -1.23 0.00 0.00 174.94 173.89 2i85 s LYS 68 N -3.05 4.61 0.66 2.79 2.36 -1.26 -4.82 119.74 121.03 2i85 s LYS 68 Ca 0.48 1.66 0.43 0.00 -2.55 0.00 0.00 55.97 55.99 2i85 s LYS 68 Cb -0.11 -3.31 2.37 0.00 -1.05 0.00 0.00 37.83 35.73 2i85 s LYS 68 CO 0.23 0.08 2.35 1.57 1.55 0.00 0.00 175.35 181.13 2i85 h LYS 69 N 5.36 0.00 0.00 4.03 2.10 -1.98 -1.07 116.57 125.01 2i85 h LYS 69 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 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 0.73 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.57 2i85 n GLU 70 N -3.13 0.80 -0.55 0.07 1.02 -1.26 -4.83 120.64 112.75 2i85 n GLU 70 Ca -0.03 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.81 2i85 n GLU 70 Cb 0.09 -1.34 0.22 0.00 -0.02 0.00 0.00 31.44 30.39 2i85 n GLU 70 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2i85 n ASN 71 N -0.84 -1.84 0.00 1.62 6.94 -0.41 -4.97 115.26 115.76 2i85 n ASN 71 Ca 0.13 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 2i85 n ASN 71 Cb 0.06 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.30 2i85 n ASN 71 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2i85 n THR 72 N -4.74 0.00 -1.81 5.53 -1.04 -1.26 -5.05 114.28 105.91 2i85 n THR 72 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 2i85 n THR 72 Cb 0.56 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -1.38 3.04 -1.97 -2.82 -0.04 -1.26 -4.97 135.00 125.61 2i85 n PRO 73 Ca 0.00 -2.74 -0.39 0.00 -0.04 0.00 0.00 63.50 60.33 2i85 n PRO 73 Cb 0.00 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 2i85 n PRO 73 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2i85 s LEU 74 N 1.66 4.15 0.00 1.53 0.05 -1.26 -4.67 118.68 120.14 2i85 s LEU 74 Ca 0.47 2.73 0.00 0.00 0.05 0.00 0.00 54.13 57.38 2i85 s LEU 74 Cb 0.14 -3.95 0.00 0.00 -2.05 0.00 0.00 46.19 40.33 2i85 s LEU 74 CO -0.07 -0.99 0.00 -0.11 -0.55 0.00 0.00 176.35 174.62 2i85 n LEU 75 N -0.07 0.00 0.00 1.48 0.00 -0.10 -4.94 117.00 113.38 2i85 n LEU 75 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.06 2i85 n LEU 75 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.85 2i85 n LEU 75 CO 0.56 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.75 2i85 n ASN 76 N -0.62 0.00 0.00 1.96 4.05 -1.26 -1.54 115.26 117.85 2i85 n ASN 76 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2i85 n ASN 76 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2i85 n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i85 s ALA 78 N 0.00 3.31 0.04 0.00 0.00 -1.20 -0.96 121.76 122.94 2i85 s ALA 78 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.32 2i85 s ALA 78 Cb 0.00 -2.75 -0.18 0.00 0.00 0.00 0.00 23.12 20.20 2i85 s ALA 78 CO 0.00 -0.35 1.40 0.87 0.00 0.00 0.00 175.76 177.68 2i85 h LYS 79 N 0.34 -1.11 -2.15 0.00 1.57 -1.90 -3.13 116.57 110.19 2i85 h LYS 79 Ca -0.46 0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.25 2i85 h LYS 79 Cb 1.20 0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.71 2i85 h LYS 79 CO 0.62 -0.74 -0.23 -0.35 -0.57 0.00 0.00 179.45 178.18 2i85 n PRO 80 N -5.31 1.61 0.00 3.15 -0.04 -1.26 -2.79 135.00 130.36 2i85 n PRO 80 Ca -0.14 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 2i85 n PRO 80 Cb 0.46 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 2.49 0.00 0.00 3.54 -0.08 -1.25 -5.17 116.55 116.09 2i85 n ASP 81 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2i85 n ASP 81 Cb 0.74 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.20 2i85 n ASP 81 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2i85 n GLN 82 N 0.00 0.00 -1.67 -0.67 7.27 -1.12 -4.67 117.38 116.52 2i85 n GLN 82 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 57.00 56.59 2i85 n GLN 82 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2i85 n GLN 82 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2i85 n ASP 83 N -0.78 3.22 -4.67 1.69 5.75 -1.21 -4.53 116.55 116.02 2i85 n ASP 83 Ca 0.00 1.03 -0.35 0.00 -0.01 0.00 0.00 54.79 55.46 2i85 n ASP 83 Cb 0.00 -1.39 -0.09 0.00 -1.03 0.00 0.00 41.12 38.61 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 2.56 4.78 -0.03 2.12 1.10 -0.82 -4.98 121.20 125.92 2i85 s ILE 84 Ca 0.86 -0.05 -0.00 0.00 -0.51 0.00 0.00 60.65 60.96 2i85 s ILE 84 Cb -0.70 -3.12 0.03 0.00 0.15 0.00 0.00 42.46 38.82 2i85 s ILE 84 CO 0.46 0.51 0.02 -1.59 -2.11 0.00 0.00 174.94 172.23 2i85 s LYS 85 N -0.05 0.14 -0.16 3.50 0.00 -1.26 -0.87 119.74 121.03 2i85 s LYS 85 Ca 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 55.97 56.09 2i85 s LYS 85 Cb -0.12 -0.42 0.05 0.00 0.00 0.00 0.00 37.83 37.34 2i85 s LYS 85 CO 0.01 -0.18 0.41 -0.06 0.00 0.00 0.00 175.35 175.53 2i85 s PHE 86 N 1.24 -0.56 -0.14 1.78 0.08 -0.47 -5.02 117.98 114.90 2i85 s PHE 86 Ca -0.07 1.23 0.02 0.00 0.12 0.00 0.00 56.93 58.23 2i85 s PHE 86 Cb -0.13 0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.56 2i85 s PHE 86 CO -0.03 -0.31 -0.20 -0.08 -0.10 0.00 0.00 175.22 174.51 2i85 s THR 87 N 1.06 1.93 -0.08 0.64 -1.32 -1.26 -0.97 115.64 115.64 2i85 s THR 87 Ca -0.07 -0.90 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 2i85 s THR 87 Cb -0.07 -1.73 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 2i85 s THR 87 CO -0.09 0.52 -0.08 -0.63 -2.21 0.00 0.00 174.62 172.13 2i85 s ILE 88 N 0.93 3.58 -0.12 5.08 1.01 -0.34 -5.00 121.20 126.34 2i85 s ILE 88 Ca -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.10 2i85 s ILE 88 Cb -0.15 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.86 2i85 s ILE 88 CO -0.04 0.58 -0.16 -1.59 0.00 0.00 0.00 174.94 173.73 2i85 s LYS 89 N -0.53 2.32 -1.16 2.79 -2.85 -1.26 -0.87 119.74 118.17 2i85 s LYS 89 Ca 0.08 -0.59 -0.20 0.00 -1.00 0.00 0.00 55.97 54.26 2i85 s LYS 89 Cb -0.12 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.62 2i85 s LYS 89 CO 0.02 -0.09 1.93 1.19 0.10 0.00 0.00 175.35 178.50 2i85 n PHE 90 N 4.29 3.16 -2.04 1.78 3.01 -0.29 -4.95 117.46 122.42 2i85 n PHE 90 Ca -0.19 -2.18 -0.31 0.00 1.01 0.00 0.00 57.45 55.79 2i85 n PHE 90 Cb 0.51 -2.38 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 2i85 n PHE 90 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2i85 s GLN 91 N 4.93 3.65 0.13 -1.08 2.00 -1.26 -3.35 119.66 124.68 2i85 s GLN 91 Ca 0.58 0.72 -0.14 0.00 -2.00 0.00 0.00 55.36 54.53 2i85 s GLN 91 Cb 0.07 -2.12 -0.02 0.00 0.80 0.00 0.00 33.01 31.74 2i85 s GLN 91 CO 0.08 -0.48 1.55 1.49 -0.50 0.00 0.00 175.29 177.42 2i85 h GLU 92 N -0.06 0.77 -3.71 1.67 4.81 -1.96 -3.45 114.58 112.65 2i85 h GLU 92 Ca -0.45 -0.28 -0.19 0.00 -0.13 0.00 0.00 59.36 58.31 2i85 h GLU 92 Cb 1.19 -0.05 -0.25 0.00 0.63 0.00 0.00 28.75 30.27 2i85 h GLU 92 CO 0.62 0.88 -0.65 -0.06 -0.73 0.00 0.00 179.01 179.07 2i85 s PHE 93 N -4.86 0.05 -0.35 0.92 0.40 -1.26 -5.00 117.98 107.88 2i85 s PHE 93 Ca -0.13 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 2i85 s PHE 93 Cb 0.10 -0.05 0.11 0.00 0.51 0.00 0.00 43.02 43.69 2i85 s PHE 93 CO 0.81 -0.11 0.14 0.45 0.70 0.00 0.00 175.22 177.21 2i85 s SER 94 N -0.60 3.97 0.19 1.36 0.15 -1.26 -4.99 113.70 112.52 2i85 s SER 94 Ca -0.07 -2.00 0.22 0.00 0.70 0.00 0.00 55.95 54.79 2i85 s SER 94 Cb -0.04 -0.99 0.89 0.00 -1.71 0.00 0.00 66.02 64.17 2i85 s SER 94 CO -0.00 -0.36 1.66 -0.81 1.20 0.00 0.00 173.24 174.92 2i85 n PRO 95 N 4.37 0.15 -0.03 5.44 -0.04 -1.26 -3.48 135.00 140.15 2i85 n PRO 95 Ca 0.02 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2i85 n PRO 95 Cb 0.40 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 2i85 n PRO 95 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2i85 h ASN 96 N 0.00 -0.02 -3.08 3.54 -1.24 -2.05 -3.47 115.58 109.26 2i85 h ASN 96 Ca 0.00 -0.71 0.04 0.00 0.71 0.00 0.00 56.30 56.34 2i85 h ASN 96 Cb 0.35 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.18 2i85 h ASN 96 CO 0.00 0.72 0.19 -0.22 -1.29 0.00 0.00 177.43 176.83 2i85 s LEU 97 N -8.70 -0.74 0.00 0.34 1.98 -1.23 -5.04 118.68 105.29 2i85 s LEU 97 Ca -0.17 1.24 0.02 0.00 -2.89 0.00 0.00 54.13 52.33 2i85 s LEU 97 Cb -0.01 2.17 0.09 0.00 0.66 0.00 0.00 46.19 49.11 2i85 s LEU 97 CO 0.65 -0.20 0.92 1.87 -1.89 0.00 0.00 176.35 177.70 2i85 n TRP 98 N 3.61 0.00 0.22 5.38 -0.00 -1.26 -2.09 117.44 123.30 2i85 n TRP 98 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.41 2i85 n TRP 98 Cb 0.58 -0.35 0.46 0.00 -0.00 0.00 0.00 31.31 32.00 2i85 n TRP 98 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2i85 h GLY 99 N 0.32 0.00 1.67 5.87 0.00 -1.96 -2.97 103.07 105.99 2i85 h GLY 99 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2i85 h GLY 99 CO 0.00 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.55 2i85 h LEU 100 N 0.00 0.00-10.27 3.11 3.38 -1.81 -3.45 115.31 106.28 2i85 h LEU 100 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2i85 h LEU 100 Cb 0.72 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.53 2i85 h LEU 100 CO 0.03 0.08 0.38 -1.61 0.09 0.00 0.00 178.44 177.41 2i85 s GLU 101 N -3.22 3.30 0.06 1.13 2.02 -1.12 -4.62 118.70 116.26 2i85 s GLU 101 Ca 0.04 1.02 0.05 0.00 0.02 0.00 0.00 54.97 56.11 2i85 s GLU 101 Cb 0.07 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2i85 s GLU 101 CO 0.72 -0.81 -0.15 -0.06 0.02 0.00 0.00 175.26 174.98 2i85 s PHE 102 N -2.78 1.29 0.15 1.61 0.08 -1.26 -4.98 117.98 112.09 2i85 s PHE 102 Ca 0.60 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 57.30 2i85 s PHE 102 Cb -0.14 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2i85 s PHE 102 CO 0.45 0.07 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.96 2i85 s GLN 103 N -1.54 2.35 0.56 0.44 1.11 -1.26 -5.11 119.66 116.21 2i85 s GLN 103 Ca 0.00 -1.07 -0.02 0.00 0.01 0.00 0.00 55.36 54.28 2i85 s GLN 103 Cb -0.09 -2.36 0.03 0.00 -1.01 0.00 0.00 33.01 29.58 2i85 s GLN 103 CO 0.02 0.47 0.82 0.15 0.01 0.00 0.00 175.29 176.76 2i85 s LYS 104 N -2.75 2.66 -1.38 2.91 3.01 -1.26 -4.29 119.74 118.64 2i85 s LYS 104 Ca 0.26 -0.49 -0.09 0.00 -1.01 0.00 0.00 55.97 54.64 2i85 s LYS 104 Cb -0.10 -2.41 0.06 0.00 -1.01 0.00 0.00 37.83 34.38 2i85 s LYS 104 CO 0.18 -0.71 0.58 0.09 0.51 0.00 0.00 175.35 176.00 2i85 n ASN 105 N -2.43 -4.28 -4.28 2.83 4.13 -0.40 -4.98 115.26 105.85 2i85 n ASN 105 Ca 0.06 -0.43 -0.20 0.00 1.68 0.00 0.00 54.58 55.68 2i85 n ASN 105 Cb 0.59 -3.50 -0.11 0.00 -1.54 0.00 0.00 39.78 35.21 2i85 n ASN 105 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2i85 s LYS 106 N -6.05 1.13 -0.02 3.52 3.01 -0.95 -5.00 119.74 115.37 2i85 s LYS 106 Ca 0.42 -1.30 -0.00 0.00 -1.01 0.00 0.00 55.97 54.08 2i85 s LYS 106 Cb -0.22 -1.12 0.03 0.00 -1.01 0.00 0.00 37.83 35.52 2i85 s LYS 106 CO 0.52 0.22 0.02 0.34 0.51 0.00 0.00 175.35 176.97 2i85 s ASP 107 N -2.49 0.21 -0.05 2.83 -1.08 -1.26 -3.29 116.67 111.54 2i85 s ASP 107 Ca 0.11 0.03 0.06 0.00 -0.52 0.00 0.00 52.55 52.23 2i85 s ASP 107 Cb -0.06 -0.11 -0.02 0.00 -1.46 0.00 0.00 42.92 41.27 2i85 s ASP 107 CO 0.05 -0.13 -0.22 -0.31 0.52 0.00 0.00 175.17 175.07 2i85 s TYR 108 N 1.12 2.48 0.08 -5.34 1.51 -1.16 -5.00 117.35 111.03 2i85 s TYR 108 Ca -0.08 -0.50 0.09 0.00 -1.01 0.00 0.00 57.07 55.56 2i85 s TYR 108 Cb -0.13 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 2i85 s TYR 108 CO -0.03 -0.07 -0.24 0.71 -1.11 0.00 0.00 175.55 174.81 2i85 s TYR 109 N -0.40 2.09 -0.08 2.71 1.51 -1.26 -1.93 117.35 119.99 2i85 s TYR 109 Ca 0.04 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 2i85 s TYR 109 Cb -0.12 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2i85 s TYR 109 CO 0.02 0.19 0.24 0.42 -1.11 0.00 0.00 175.55 175.30 2i85 s ILE 110 N -0.94 0.01 0.20 2.71 1.01 -1.17 -2.09 121.20 120.94 2i85 s ILE 110 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2i85 s ILE 110 Cb -0.10 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 2i85 s ILE 110 CO 0.03 -0.05 -0.01 0.27 0.00 0.00 0.00 174.94 175.19 2i85 s ILE 111 N -0.11 0.87 0.15 2.92 -4.36 -0.61 -0.70 121.20 119.37 2i85 s ILE 111 Ca -0.02 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.31 2i85 s ILE 111 Cb -0.02 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 2i85 s ILE 111 CO 0.01 -0.41 0.17 -0.55 0.24 0.00 0.00 174.94 174.39 2i85 s SER 112 N -3.24 0.18 -0.32 4.36 0.15 -0.48 -1.42 113.70 112.93 2i85 s SER 112 Ca 0.26 -1.06 0.08 0.00 0.70 0.00 0.00 55.95 55.93 2i85 s SER 112 Cb 0.06 0.37 0.46 0.00 -1.71 0.00 0.00 66.02 65.19 2i85 s SER 112 CO 0.06 -0.81 1.16 0.35 1.20 0.00 0.00 173.24 175.20 2i85 n THR 113 N -0.16 2.35 0.02 6.45 -2.24 -1.26 -4.08 114.28 115.37 2i85 n THR 113 Ca -0.06 -4.21 0.01 0.00 -2.27 0.00 0.00 64.05 57.52 2i85 n THR 113 Cb 0.63 -0.91 0.07 0.00 -2.10 0.00 0.00 70.33 68.02 2i85 n THR 113 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2i85 n SER 114 N -0.64 0.06 0.21 3.42 2.88 -1.26 -0.66 113.62 117.62 2i85 n SER 114 Ca 0.39 0.43 0.07 0.00 -1.33 0.00 0.00 58.87 58.44 2i85 n SER 114 Cb 0.89 -0.43 0.43 0.00 -0.75 0.00 0.00 64.21 64.35 2i85 n SER 114 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2i85 h ASN 115 N 0.00 0.00 -7.00 -3.46 -1.24 -1.92 -3.48 115.58 98.49 2i85 h ASN 115 Ca 0.00 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 56.41 2i85 h ASN 115 Cb 0.22 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.02 2i85 h ASN 115 CO 0.00 0.30 -0.92 0.61 -1.29 0.00 0.00 177.43 176.13 2i85 n GLY 116 N 0.01 -0.28 3.52 1.57 0.00 0.16 -4.92 105.19 105.25 2i85 n GLY 116 Ca -0.01 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.72 -0.58 -0.33 1.61 2.88 -1.26 -4.54 113.62 108.67 2i85 n SER 117 Ca -0.11 0.64 0.01 0.00 -1.33 0.00 0.00 58.87 58.08 2i85 n SER 117 Cb 0.58 -1.28 0.15 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.24 0.93 -1.68 2.46 7.12 -1.98 0.16 115.31 122.08 2i85 h LEU 118 Ca -0.46 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 2i85 h LEU 118 Cb 1.35 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 2i85 h LEU 118 CO 0.45 0.60 -0.14 -0.33 -0.13 0.00 0.00 178.44 178.89 2i85 h GLU 119 N 1.07 0.03 -0.26 1.25 5.08 -1.96 -3.13 114.58 116.65 2i85 h GLU 119 Ca 0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2i85 h GLU 119 Cb 0.15 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2i85 h GLU 119 CO -0.17 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2i85 n GLY 120 N -1.11 3.95 0.31 -3.84 0.00 -0.24 -4.39 105.19 99.87 2i85 n GLY 120 Ca -0.02 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 1.75 0.88 0.00 0.99 8.10 -0.70 -3.37 115.31 122.96 2i85 h LEU 121 Ca 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.80 2i85 h LEU 121 Cb 1.36 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.35 2i85 h LEU 121 CO 0.19 0.89 -0.59 -0.67 -4.11 0.00 0.00 178.44 174.15 2i85 n ASP 122 N -4.24 2.68 -4.60 0.17 2.03 -1.26 -5.02 116.55 106.31 2i85 n ASP 122 Ca 0.04 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 2i85 n ASP 122 Cb 0.27 0.16 0.20 0.00 -0.72 0.00 0.00 41.12 41.02 2i85 n ASP 122 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2i85 s ASN 123 N -2.84 2.07 -0.03 1.67 2.47 -1.26 -4.92 114.94 112.10 2i85 s ASN 123 Ca 0.00 1.52 -0.06 0.00 0.42 0.00 0.00 52.86 54.75 2i85 s ASN 123 Cb 0.00 -2.21 -0.25 0.00 -1.45 0.00 0.00 41.25 37.34 2i85 s ASN 123 CO 0.00 -3.52 3.38 0.00 -3.72 0.00 0.00 177.10 173.24 2i85 n GLN 124 N -4.47 1.88 -4.15 0.43 10.64 -1.26 -4.63 117.38 115.82 2i85 n GLN 124 Ca 0.05 -0.95 -0.10 0.00 -1.83 0.00 0.00 57.00 54.17 2i85 n GLN 124 Cb 0.55 -1.98 -0.10 0.00 -0.86 0.00 0.00 30.24 27.85 2i85 n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2i85 s GLU 125 N 1.18 0.77 0.34 2.61 2.02 -1.26 -0.75 118.70 123.60 2i85 s GLU 125 Ca 0.62 -1.25 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 2i85 s GLU 125 Cb 0.29 -0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.39 2i85 s GLU 125 CO -0.00 -0.02 0.71 0.20 0.02 0.00 0.00 175.26 176.17 2i85 s GLY 126 N -2.86 0.36 0.00 -1.39 0.00 -0.23 -4.34 107.32 98.86 2i85 s GLY 126 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2i85 s GLY 126 CO -0.05 -0.34 0.16 0.61 0.00 0.00 0.00 173.10 173.48 2i85 n GLY 127 N -0.50 0.20 0.13 0.20 0.00 -1.26 -4.83 105.19 99.13 2i85 n GLY 127 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2i85 n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2i85 h VAL 128 N 0.30 1.44 -0.10 1.61 2.07 -1.89 -3.06 116.25 116.61 2i85 h VAL 128 Ca 0.00 -1.91 0.03 0.00 0.82 0.00 0.00 66.70 65.63 2i85 h VAL 128 Cb 0.15 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2i85 h VAL 128 CO 0.00 0.55 0.12 0.00 0.02 0.00 0.00 177.57 178.26 2i85 h GLN 130 N 0.00 0.00 0.00 0.00 4.15 -1.86 -3.37 115.11 114.04 2i85 h GLN 130 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2i85 h GLN 130 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2i85 h GLN 130 CO -0.00 0.19 0.00 2.41 -1.93 0.00 0.00 178.83 179.50 2i85 n THR 131 N -3.18 0.03 0.02 2.39 -1.04 -0.48 -4.84 114.28 107.17 2i85 n THR 131 Ca 0.02 0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.17 2i85 n THR 131 Cb 0.55 -0.40 0.57 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.23 -5.49 -2.82 -0.00 -1.41 -3.48 114.38 101.40 2i85 h ARG 132 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2i85 h ARG 132 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 2i85 h ARG 132 CO 0.00 0.15 -1.03 0.00 0.00 0.00 0.00 179.97 179.10 2i85 n ALA 133 N -2.55 -2.98 -3.37 0.04 0.00 0.32 -4.67 120.51 107.30 2i85 n ALA 133 Ca 0.06 0.68 -0.34 0.00 0.00 0.00 0.00 53.44 53.85 2i85 n ALA 133 Cb 0.33 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 2i85 n ALA 133 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2i85 n MET 134 N 1.17 3.09 -4.45 0.00 0.00 -1.25 -2.60 117.12 113.08 2i85 n MET 134 Ca -0.08 -4.60 -0.22 0.00 0.00 0.00 0.00 57.70 52.81 2i85 n MET 134 Cb 0.24 -2.36 -0.10 0.00 0.00 0.00 0.00 33.22 30.99 2i85 n MET 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2i85 s LYS 135 N -2.31 1.62 0.15 2.12 0.00 -1.00 -1.38 119.74 118.93 2i85 s LYS 135 Ca 0.34 -1.85 0.10 0.00 0.00 0.00 0.00 55.97 54.56 2i85 s LYS 135 Cb 0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 37.83 36.70 2i85 s LYS 135 CO -0.01 -0.02 -0.22 0.96 0.00 0.00 0.00 175.35 176.06 2i85 s ILE 136 N -3.04 2.02 -0.03 3.79 -5.25 0.12 -2.00 121.20 116.81 2i85 s ILE 136 Ca 0.32 -1.80 0.02 0.00 -0.99 0.00 0.00 60.65 58.19 2i85 s ILE 136 Cb 0.05 -1.86 0.01 0.00 2.95 0.00 0.00 42.46 43.61 2i85 s ILE 136 CO 0.13 -0.10 -0.06 -0.22 -1.79 0.00 0.00 174.94 172.90 2i85 s LEU 137 N -2.32 1.68 -0.26 0.37 2.96 -1.25 -3.03 118.68 116.83 2i85 s LEU 137 Ca 0.14 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2i85 s LEU 137 Cb -0.08 -0.43 0.06 0.00 0.50 0.00 0.00 46.19 46.24 2i85 s LEU 137 CO 0.07 0.02 -0.08 -0.04 -1.32 0.00 0.00 176.35 174.99 2i85 s MET 138 N 0.37 2.04 -0.30 1.98 -1.94 -0.81 -1.79 119.30 118.84 2i85 s MET 138 Ca -0.05 -1.31 -0.08 0.00 -1.71 0.00 0.00 55.69 52.54 2i85 s MET 138 Cb -0.09 -2.84 -0.00 0.00 2.01 0.00 0.00 34.83 33.91 2i85 s MET 138 CO 0.00 -0.61 0.12 0.21 -0.01 0.00 0.00 175.02 174.73 2i85 s LYS 139 N 1.15 3.24 -0.25 2.03 2.20 -1.26 -3.01 119.74 123.84 2i85 s LYS 139 Ca -0.07 -0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 54.73 2i85 s LYS 139 Cb -0.20 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 2i85 s LYS 139 CO -0.06 -0.42 0.15 0.54 -0.36 0.00 0.00 175.35 175.20 2i85 s VAL 140 N 1.56 -0.14 0.00 4.02 0.11 -1.21 -4.59 120.40 120.16 2i85 s VAL 140 Ca 0.04 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2i85 s VAL 140 Cb -0.17 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2i85 s VAL 140 CO 0.04 -0.55 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 2i85 n GLY 141 N 5.27 0.58 0.00 6.54 0.00 -1.26 -1.27 105.19 115.05 2i85 n GLY 141 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2i85 n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26