#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6j n SER 17 N 0.00 -0.58 0.37 7.83 2.88 -1.26 -0.66 113.62 122.19 1o6j n SER 17 Ca 0.00 1.65 -0.19 0.00 -1.33 0.00 0.00 58.87 59.00 1o6j n SER 17 Cb 0.00 -0.39 -0.09 0.00 -0.75 0.00 0.00 64.21 62.97 1o6j n SER 17 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1o6j h GLY 18 N 0.00 -1.22 1.34 0.46 0.00 -1.87 -2.96 103.07 98.82 1o6j h GLY 18 Ca 0.34 0.52 0.02 0.00 0.00 0.00 0.00 47.33 48.22 1o6j h GLY 18 CO -0.94 -0.41 0.40 -2.00 0.00 0.00 0.00 176.54 173.59 1o6j h LEU 19 N -1.07 0.64 -2.18 3.11 5.85 -1.52 -0.33 115.31 119.82 1o6j h LEU 19 Ca -0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1o6j h LEU 19 Cb 0.88 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1o6j h LEU 19 CO 0.05 0.45 0.12 0.50 -0.34 0.00 0.00 178.44 179.22 1o6j h LYS 20 N 0.75 0.00 0.00 1.25 1.63 -0.73 0.72 116.57 120.19 1o6j h LYS 20 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1o6j h LYS 20 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1o6j h LYS 20 CO -0.06 0.00 0.00 0.87 -3.45 0.00 0.00 179.45 176.81 1o6j h LYS 21 N 0.00 0.00 0.00 1.90 6.56 -0.90 -2.57 116.57 121.56 1o6j h LYS 21 Ca 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1o6j h LYS 21 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1o6j h LYS 21 CO -0.00 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.58 1o6j n PHE 22 N -2.68 0.02 -3.29 -1.35 3.72 0.25 -4.25 117.46 109.87 1o6j n PHE 22 Ca 0.02 0.01 -0.25 0.00 -0.05 0.00 0.00 57.45 57.17 1o6j n PHE 22 Cb 0.29 -0.51 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 1o6j n PHE 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o6j n PHE 23 N -1.51 2.09 0.30 1.38 3.72 -0.97 -4.77 117.46 117.70 1o6j n PHE 23 Ca 0.05 -3.92 0.13 0.00 -0.05 0.00 0.00 57.45 53.66 1o6j n PHE 23 Cb 0.27 -0.47 0.59 0.00 -0.94 0.00 0.00 39.48 38.93 1o6j n PHE 23 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1o6j h PRO 24 N 3.97 0.00 0.00 -1.08 0.13 -1.75 -3.17 132.00 130.10 1o6j h PRO 24 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o6j h PRO 24 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1o6j h PRO 24 CO 0.69 0.00 -0.06 0.66 -0.23 0.00 0.00 178.00 179.05 1o6j n TYR 25 N -2.38 0.00 -3.78 1.56 4.02 -1.26 -5.04 117.16 110.28 1o6j n TYR 25 Ca 0.00 -0.37 -0.14 0.00 -0.01 0.00 0.00 57.90 57.39 1o6j n TYR 25 Cb 0.16 -0.05 -0.15 0.00 -0.02 0.00 0.00 39.34 39.28 1o6j n TYR 25 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1o6j s SER 26 N -1.01 -0.05 -0.13 7.72 0.01 -1.20 -5.01 113.70 114.03 1o6j s SER 26 Ca 0.05 0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.59 1o6j s SER 26 Cb 0.05 0.10 -0.23 0.00 0.21 0.00 0.00 66.02 66.14 1o6j s SER 26 CO 0.00 -0.11 0.31 0.35 0.41 0.00 0.00 173.24 174.21 1o6j n THR 27 N 3.85 1.55 -4.21 1.44 -2.24 -1.26 -4.86 114.28 108.55 1o6j n THR 27 Ca -0.23 -0.77 -0.19 0.00 -2.27 0.00 0.00 64.05 60.60 1o6j n THR 27 Cb 0.54 -1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 67.64 1o6j n THR 27 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1o6j s ASN 28 N -6.09 1.74 0.46 3.42 0.01 -1.26 -4.25 114.94 108.96 1o6j s ASN 28 Ca -0.13 -0.60 0.07 0.00 -0.71 0.00 0.00 52.86 51.49 1o6j s ASN 28 Cb 0.07 -0.07 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 1o6j s ASN 28 CO 0.79 -0.05 0.28 0.68 -1.51 0.00 0.00 177.10 177.29 1o6j s VAL 29 N -1.20 2.13 0.59 1.60 -7.23 0.42 -4.76 120.40 111.96 1o6j s VAL 29 Ca -0.01 -1.58 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1o6j s VAL 29 Cb -0.10 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1o6j s VAL 29 CO 0.02 0.00 0.92 -0.76 -0.31 0.00 0.00 175.10 174.98 1o6j s LEU 30 N -4.06 3.27 -0.48 1.32 1.02 0.73 -2.94 118.68 117.53 1o6j s LEU 30 Ca 0.39 0.92 0.05 0.00 0.02 0.00 0.00 54.13 55.50 1o6j s LEU 30 Cb 0.00 -3.80 0.21 0.00 0.02 0.00 0.00 46.19 42.62 1o6j s LEU 30 CO 0.22 -0.98 0.83 1.17 0.02 0.00 0.00 176.35 177.61 1o6j n LYS 31 N -2.60 0.51 0.00 1.70 3.00 0.81 -2.53 118.16 119.04 1o6j n LYS 31 Ca 0.04 -1.76 0.00 0.00 -0.00 0.00 0.00 58.31 56.59 1o6j n LYS 31 Cb 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1o6j n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1o6j n GLY 32 N 2.60 1.31 0.10 3.14 0.00 -1.26 -2.43 105.19 108.64 1o6j n GLY 32 Ca 0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1o6j n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o6j h ALA 33 N -0.15 0.51 -2.05 4.61 0.00 -2.00 -3.44 119.26 116.75 1o6j h ALA 33 Ca 0.00 -0.69 -0.57 0.00 0.00 0.00 0.00 54.91 53.66 1o6j h ALA 33 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1o6j h ALA 33 CO 0.00 0.94 1.22 0.00 0.00 0.00 0.00 179.25 181.41 1o6j s ALA 34 N -2.83 3.17 -0.35 0.00 0.00 -1.02 -4.89 121.76 115.84 1o6j s ALA 34 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1o6j s ALA 34 Cb 0.09 -3.91 0.54 0.00 0.00 0.00 0.00 23.12 19.83 1o6j s ALA 34 CO 0.78 -2.13 1.58 0.00 0.00 0.00 0.00 175.76 175.99 1o6j n ALA 35 N 9.12 4.76 -1.65 0.00 0.00 -1.26 -0.14 120.51 131.34 1o6j n ALA 35 Ca 0.21 -3.16 0.06 0.00 0.00 0.00 0.00 53.44 50.55 1o6j n ALA 35 Cb 0.45 -0.92 0.13 0.00 0.00 0.00 0.00 19.45 19.10 1o6j n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1o6j n ASP 36 N -1.10 1.54 -4.72 0.00 3.85 -1.25 -4.62 116.55 110.24 1o6j n ASP 36 Ca 0.41 -3.06 -0.41 0.00 -0.71 0.00 0.00 54.79 51.03 1o6j n ASP 36 Cb 1.15 -0.41 -0.04 0.00 -1.35 0.00 0.00 41.12 40.47 1o6j n ASP 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1o6j s ILE 37 N -2.11 4.83 0.07 2.12 2.07 -1.15 -4.91 121.20 122.12 1o6j s ILE 37 Ca 0.30 1.78 0.02 0.00 -1.41 0.00 0.00 60.65 61.34 1o6j s ILE 37 Cb 0.29 -4.19 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1o6j s ILE 37 CO -0.05 0.26 0.11 0.00 -1.91 0.00 0.00 174.94 173.35 1o6j s ALA 38 N 0.53 3.68 0.52 1.50 0.00 -1.26 -0.44 121.76 126.29 1o6j s ALA 38 Ca 0.44 -0.96 0.20 0.00 0.00 0.00 0.00 51.96 51.64 1o6j s ALA 38 Cb -0.20 -1.55 1.32 0.00 0.00 0.00 0.00 23.12 22.69 1o6j s ALA 38 CO 0.24 0.76 2.09 -0.07 0.00 0.00 0.00 175.76 178.79 1o6j h LEU 39 N 3.32 0.00 -2.01 0.00 3.38 -1.97 -2.21 115.31 115.82 1o6j h LEU 39 Ca -0.46 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.62 1o6j h LEU 39 Cb 1.16 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1o6j h LEU 39 CO 0.68 0.00 0.41 -0.65 0.09 0.00 0.00 178.44 178.97 1o6j h PRO 40 N 0.00 0.00 -0.49 1.13 0.11 -1.95 -2.05 132.00 128.75 1o6j h PRO 40 Ca 0.10 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.30 1o6j h PRO 40 Cb 0.39 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.43 1o6j h PRO 40 CO -0.00 0.00 0.02 0.77 -0.21 0.00 0.00 178.00 178.58 1o6j h SER 41 N 0.00 -0.17 0.00 -2.05 0.02 -1.82 -2.79 113.55 106.75 1o6j h SER 41 Ca 0.19 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1o6j h SER 41 Cb 1.01 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1o6j h SER 41 CO -0.00 -0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.82 1o6j n LEU 42 N -5.20 0.20 -4.77 5.07 4.77 -0.77 -4.89 117.00 111.40 1o6j n LEU 42 Ca 0.05 -0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 1o6j n LEU 42 Cb 0.26 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1o6j n LEU 42 CO 0.17 0.05 0.91 0.00 -1.33 0.00 0.00 177.39 177.19 1o6j s ALA 43 N -1.38 3.44 0.00 -1.18 0.00 -1.05 -3.08 121.76 118.51 1o6j s ALA 43 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1o6j s ALA 43 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1o6j s ALA 43 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1o6j n GLY 44 N 0.90 2.00 3.98 0.00 0.00 -1.26 -4.96 105.19 105.85 1o6j n GLY 44 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1o6j n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o6j s LYS 45 N 0.00 2.31 -0.01 1.61 -2.85 -1.18 -4.92 119.74 114.70 1o6j s LYS 45 Ca 0.00 -0.87 -0.15 0.00 -1.00 0.00 0.00 55.97 53.95 1o6j s LYS 45 Cb 0.00 -2.44 -0.06 0.00 -2.06 0.00 0.00 37.83 33.27 1o6j s LYS 45 CO 0.00 -0.92 0.41 0.99 0.10 0.00 0.00 175.35 175.93 1o6j s THR 46 N -2.87 5.04 -0.12 3.79 2.01 -1.09 -2.00 115.64 120.41 1o6j s THR 46 Ca 0.60 0.84 0.03 0.00 0.31 0.00 0.00 61.69 63.47 1o6j s THR 46 Cb -0.09 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1o6j s THR 46 CO 0.40 0.57 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.99 1o6j s VAL 47 N -0.98 1.98 -0.26 3.82 1.01 -0.19 -0.75 120.40 125.04 1o6j s VAL 47 Ca 0.24 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1o6j s VAL 47 Cb -0.17 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1o6j s VAL 47 CO 0.13 0.54 0.11 -0.36 0.00 0.00 0.00 175.10 175.52 1o6j s PHE 48 N 0.62 3.13 -0.34 5.22 0.08 -0.23 -1.19 117.98 125.28 1o6j s PHE 48 Ca -0.12 -0.28 -0.21 0.00 0.12 0.00 0.00 56.93 56.43 1o6j s PHE 48 Cb -0.17 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 1o6j s PHE 48 CO 0.03 -0.31 0.66 -0.06 -0.10 0.00 0.00 175.22 175.43 1o6j s PHE 49 N 1.66 3.16 -0.39 0.36 0.40 -0.37 -0.21 117.98 122.58 1o6j s PHE 49 Ca 0.06 0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 56.75 1o6j s PHE 49 Cb -0.16 -3.14 0.06 0.00 0.51 0.00 0.00 43.02 40.30 1o6j s PHE 49 CO 0.06 -0.60 0.22 -0.47 0.70 0.00 0.00 175.22 175.13 1o6j s TYR 50 N 2.74 3.30 -0.38 0.36 5.04 0.19 -1.56 117.35 127.04 1o6j s TYR 50 Ca 0.26 -1.37 -0.22 0.00 -2.44 0.00 0.00 57.07 53.30 1o6j s TYR 50 Cb -0.14 -2.71 0.01 0.00 0.35 0.00 0.00 41.96 39.47 1o6j s TYR 50 CO 0.14 -0.78 0.70 -0.06 -1.34 0.00 0.00 175.55 174.21 1o6j s PHE 51 N 1.45 3.11 0.25 4.97 0.08 0.11 -0.64 117.98 127.31 1o6j s PHE 51 Ca 0.02 0.33 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 1o6j s PHE 51 Cb -0.21 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 38.91 1o6j s PHE 51 CO 0.03 -0.74 0.46 0.45 -0.10 0.00 0.00 175.22 175.32 1o6j s SER 52 N 1.88 0.02 0.10 1.36 0.15 -1.11 -2.42 113.70 113.69 1o6j s SER 52 Ca 0.27 -1.02 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 1o6j s SER 52 Cb -0.14 0.58 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 1o6j s SER 52 CO 0.17 -1.14 0.66 0.00 1.20 0.00 0.00 173.24 174.12 1o6j s ALA 53 N -3.91 -1.66 0.16 5.45 0.00 -1.26 -1.28 121.76 119.27 1o6j s ALA 53 Ca 0.24 0.70 0.30 0.00 0.00 0.00 0.00 51.96 53.20 1o6j s ALA 53 Cb -0.00 0.67 1.26 0.00 0.00 0.00 0.00 23.12 25.05 1o6j s ALA 53 CO 0.10 -0.69 1.95 0.66 0.00 0.00 0.00 175.76 177.78 1o6j h SER 54 N 2.15 0.00 -0.10 0.00 4.64 -1.92 -2.73 113.55 115.60 1o6j h SER 54 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1o6j h SER 54 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1o6j h SER 54 CO 0.37 0.09 0.00 -2.67 -0.87 0.00 0.00 176.83 173.75 1o6j n TRP 55 N -3.25 0.16 -3.97 4.77 4.27 -1.26 -4.81 117.44 113.36 1o6j n TRP 55 Ca 0.00 -0.07 -0.34 0.00 -3.89 0.00 0.00 57.50 53.20 1o6j n TRP 55 Cb 0.33 -0.03 -0.14 0.00 -1.36 0.00 0.00 31.31 30.12 1o6j n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o6j h PRO 57 N 7.89 0.01 -0.73 0.00 0.11 -1.89 -0.33 132.00 137.07 1o6j h PRO 57 Ca -0.19 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.95 1o6j h PRO 57 Cb 1.05 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1o6j h PRO 57 CO 0.51 0.01 0.48 -1.35 -0.21 0.00 0.00 178.00 177.44 1o6j h PRO 58 N 0.01 0.87 -0.26 1.05 0.11 -1.95 -0.38 132.00 131.46 1o6j h PRO 58 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1o6j h PRO 58 Cb 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1o6j h PRO 58 CO -0.17 0.58 0.13 0.00 -0.21 0.00 0.00 178.00 178.33 1o6j h ARG 60 N 0.29 0.16 0.00 0.00 2.43 0.20 0.11 114.38 117.58 1o6j h ARG 60 Ca 0.09 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1o6j h ARG 60 Cb 0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1o6j h ARG 60 CO -0.01 0.17 -0.52 0.00 -1.51 0.00 0.00 179.97 178.11 1o6j h ALA 61 N 1.85 0.70 0.09 2.80 0.00 -0.52 -3.37 119.26 120.81 1o6j h ALA 61 Ca 0.04 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 1o6j h ALA 61 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1o6j h ALA 61 CO 0.00 0.58 -1.91 0.34 0.00 0.00 0.00 179.25 178.26 1o6j n PHE 62 N -3.19 1.19 -0.22 0.00 7.35 -0.12 -4.39 117.46 118.07 1o6j n PHE 62 Ca 0.02 0.30 -0.01 0.00 -0.76 0.00 0.00 57.45 57.00 1o6j n PHE 62 Cb 0.72 -1.17 0.06 0.00 0.35 0.00 0.00 39.48 39.44 1o6j n PHE 62 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1o6j h THR 63 N 0.05 0.32 -0.02 -2.13 2.02 -1.01 0.14 112.91 112.28 1o6j h THR 63 Ca -0.38 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1o6j h THR 63 Cb 2.03 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1o6j h THR 63 CO 0.09 0.00 -0.08 1.55 0.37 0.00 0.00 175.52 177.45 1o6j h PRO 64 N -0.02 0.03 -0.27 6.66 0.13 -1.77 0.31 132.00 137.07 1o6j h PRO 64 Ca 0.31 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.36 1o6j h PRO 64 Cb 0.49 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1o6j h PRO 64 CO -0.68 0.11 -0.13 1.96 -0.23 0.00 0.00 178.00 179.03 1o6j h GLN 65 N 0.03 0.57 -0.27 0.86 4.20 -0.98 -1.94 115.11 117.58 1o6j h GLN 65 Ca 0.01 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1o6j h GLN 65 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1o6j h GLN 65 CO 0.01 0.81 -0.23 1.25 -0.67 0.00 0.00 178.83 180.01 1o6j h LEU 66 N 0.31 0.51 -0.58 1.46 5.85 -0.93 -0.60 115.31 121.33 1o6j h LEU 66 Ca 0.06 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1o6j h LEU 66 Cb 0.64 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1o6j h LEU 66 CO 0.04 0.74 0.10 0.40 -0.34 0.00 0.00 178.44 179.38 1o6j h ILE 67 N 0.46 1.26 -0.30 4.05 2.04 -0.27 0.75 117.51 125.49 1o6j h ILE 67 Ca 0.07 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1o6j h ILE 67 Cb 0.65 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1o6j h ILE 67 CO 0.05 0.36 0.08 0.44 0.00 0.00 0.00 178.15 179.07 1o6j h ASP 68 N 0.86 0.45 -0.98 1.72 3.32 -0.71 -1.57 116.42 119.51 1o6j h ASP 68 Ca 0.18 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1o6j h ASP 68 Cb 0.42 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1o6j h ASP 68 CO 0.01 0.56 0.64 0.15 -1.72 0.00 0.00 179.24 178.89 1o6j h PHE 69 N 0.32 1.21 0.14 4.55 3.57 -0.96 -1.93 116.94 123.85 1o6j h PHE 69 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1o6j h PHE 69 Cb 0.28 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1o6j h PHE 69 CO 0.01 0.74 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.84 1o6j h TYR 70 N 1.28 -0.17 0.00 0.41 5.03 -0.59 -1.64 116.97 121.28 1o6j h TYR 70 Ca 0.37 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1o6j h TYR 70 Cb -0.08 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.26 1o6j h TYR 70 CO -0.00 0.14 0.00 0.87 -1.32 0.00 0.00 178.16 177.85 1o6j h LYS 71 N -0.49 0.00 0.00 1.82 1.57 -1.14 -1.04 116.57 117.30 1o6j h LYS 71 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1o6j h LYS 71 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1o6j h LYS 71 CO 0.03 0.00 -1.98 0.00 -0.57 0.00 0.00 179.45 176.93 1o6j n ALA 72 N -2.03 2.62 -0.78 3.86 0.00 -0.74 -4.72 120.51 118.72 1o6j n ALA 72 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1o6j n ALA 72 Cb 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1o6j n ALA 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o6j n HIS 73 N -2.35 0.00 -0.23 0.00 8.25 -0.63 -4.80 115.22 115.46 1o6j n HIS 73 Ca -0.07 -0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.32 1o6j n HIS 73 Cb 0.64 -0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.88 1o6j n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o6j h ALA 74 N 0.00 1.14 0.13 -1.41 0.00 -1.36 -0.42 119.26 117.33 1o6j h ALA 74 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1o6j h ALA 74 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1o6j h ALA 74 CO 0.00 0.61 -0.06 0.93 0.00 0.00 0.00 179.25 180.73 1o6j h GLU 75 N 1.04 -0.16 -0.24 0.00 5.08 -1.82 -0.26 114.58 118.21 1o6j h GLU 75 Ca 0.24 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1o6j h GLU 75 Cb 0.21 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1o6j h GLU 75 CO -0.02 -0.02 0.11 -0.22 -1.00 0.00 0.00 179.01 177.86 1o6j h LYS 76 N -1.03 0.35 -0.02 2.33 1.63 -1.87 -2.07 116.57 115.89 1o6j h LYS 76 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1o6j h LYS 76 Cb 0.22 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1o6j h LYS 76 CO 0.03 0.36 0.00 1.63 -3.45 0.00 0.00 179.45 178.02 1o6j n LYS 77 N -4.82 1.27 -3.24 1.90 4.76 -0.17 -4.98 118.16 112.88 1o6j n LYS 77 Ca -0.03 -0.40 -0.21 0.00 -2.87 0.00 0.00 58.31 54.80 1o6j n LYS 77 Cb 0.10 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 31.87 1o6j n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1o6j n ASN 78 N -0.48 -6.45 -3.84 4.39 4.05 -0.78 -4.83 115.26 107.33 1o6j n ASN 78 Ca 0.20 0.24 -0.09 0.00 0.45 0.00 0.00 54.58 55.38 1o6j n ASN 78 Cb 0.20 -2.72 -0.04 0.00 1.23 0.00 0.00 39.78 38.45 1o6j n ASN 78 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1o6j s PHE 79 N -1.61 0.05 0.14 1.20 -0.71 -0.16 -2.66 117.98 114.23 1o6j s PHE 79 Ca 0.24 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.73 1o6j s PHE 79 Cb -0.03 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1o6j s PHE 79 CO 0.66 -0.95 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.58 1o6j s GLU 80 N -3.92 0.99 -0.03 1.99 2.56 0.08 -4.65 118.70 115.70 1o6j s GLU 80 Ca 0.14 -1.45 0.03 0.00 0.00 0.00 0.00 54.97 53.68 1o6j s GLU 80 Cb -0.01 -0.15 -0.00 0.00 2.00 0.00 0.00 34.13 35.97 1o6j s GLU 80 CO 0.02 -0.12 -0.12 0.08 -0.56 0.00 0.00 175.26 174.55 1o6j s VAL 81 N -3.72 1.04 -0.09 3.70 1.01 -1.26 -1.06 120.40 120.02 1o6j s VAL 81 Ca 0.20 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1o6j s VAL 81 Cb 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1o6j s VAL 81 CO 0.01 0.31 -0.15 -0.32 0.00 0.00 0.00 175.10 174.95 1o6j s MET 82 N 0.10 2.06 0.08 2.72 1.75 0.70 -1.23 119.30 125.48 1o6j s MET 82 Ca -0.03 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.59 1o6j s MET 82 Cb -0.09 -1.72 -0.06 0.00 2.84 0.00 0.00 34.83 35.80 1o6j s MET 82 CO 0.01 -0.01 1.13 -1.17 -0.65 0.00 0.00 175.02 174.33 1o6j s LEU 83 N 0.82 4.40 -0.30 4.11 0.20 0.58 -0.64 118.68 127.85 1o6j s LEU 83 Ca -0.11 1.97 0.03 0.00 0.69 0.00 0.00 54.13 56.71 1o6j s LEU 83 Cb -0.16 -3.58 0.08 0.00 -0.43 0.00 0.00 46.19 42.10 1o6j s LEU 83 CO 0.02 -0.36 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.08 1o6j s ILE 84 N 0.69 2.10 -0.07 6.68 -1.09 0.19 -1.71 121.20 127.99 1o6j s ILE 84 Ca 0.55 -1.97 -0.25 0.00 -2.23 0.00 0.00 60.65 56.74 1o6j s ILE 84 Cb -0.28 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1o6j s ILE 84 CO 0.30 -0.38 0.79 -0.55 -1.23 0.00 0.00 174.94 173.87 1o6j s SER 85 N 1.05 7.07 -0.19 3.58 0.15 -1.26 -2.74 113.70 121.36 1o6j s SER 85 Ca 0.03 1.29 0.13 0.00 0.70 0.00 0.00 55.95 58.10 1o6j s SER 85 Cb -0.19 -2.46 0.71 0.00 -1.71 0.00 0.00 66.02 62.37 1o6j s SER 85 CO -0.08 -0.21 1.59 0.79 1.20 0.00 0.00 173.24 176.53 1o6j n TRP 86 N 4.11 1.73 -1.13 3.44 7.02 -0.40 -4.98 117.44 127.24 1o6j n TRP 86 Ca 0.02 -0.62 -0.33 0.00 -1.02 0.00 0.00 57.50 55.55 1o6j n TRP 86 Cb 0.51 -0.41 0.12 0.00 -2.42 0.00 0.00 31.31 29.11 1o6j n TRP 86 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o6j s ASP 87 N -0.72 3.72 0.00 -0.99 1.01 -1.26 -4.86 116.67 113.57 1o6j s ASP 87 Ca 0.48 2.24 0.25 0.00 0.71 0.00 0.00 52.55 56.23 1o6j s ASP 87 Cb 0.35 -2.57 0.46 0.00 1.01 0.00 0.00 42.92 42.17 1o6j s ASP 87 CO 0.16 -2.58 1.40 -1.84 0.21 0.00 0.00 175.17 172.52 1o6j n GLU 88 N -3.39 1.68 -3.48 8.23 0.28 -1.26 -4.96 120.64 117.74 1o6j n GLU 88 Ca 0.12 -1.25 -0.13 0.00 -0.16 0.00 0.00 57.16 55.75 1o6j n GLU 88 Cb 0.51 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.88 1o6j n GLU 88 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1o6j s SER 89 N -2.18 -0.51 0.28 -1.84 1.04 -1.26 -5.03 113.70 104.20 1o6j s SER 89 Ca 0.28 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1o6j s SER 89 Cb 0.20 0.56 0.41 0.00 0.10 0.00 0.00 66.02 67.29 1o6j s SER 89 CO 0.40 -0.88 1.84 0.00 0.98 0.00 0.00 173.24 175.58 1o6j h ALA 90 N 2.26 1.23 -0.17 5.32 0.00 -1.97 0.20 119.26 126.14 1o6j h ALA 90 Ca -0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1o6j h ALA 90 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1o6j h ALA 90 CO 0.40 0.54 0.01 0.93 0.00 0.00 0.00 179.25 181.12 1o6j h GLU 91 N 0.80 0.29 -0.54 0.00 4.39 -1.99 0.29 114.58 117.81 1o6j h GLU 91 Ca 0.18 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1o6j h GLU 91 Cb 0.27 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1o6j h GLU 91 CO -0.00 0.49 0.33 -0.44 -1.16 0.00 0.00 179.01 178.23 1o6j h ASP 92 N 0.05 0.55 0.08 1.42 3.32 -1.89 -2.42 116.42 117.52 1o6j h ASP 92 Ca 0.05 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1o6j h ASP 92 Cb 0.35 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1o6j h ASP 92 CO 0.01 0.39 -0.18 0.15 -1.72 0.00 0.00 179.24 177.88 1o6j h PHE 93 N 0.66 -0.46 -0.27 4.55 3.04 -0.70 0.03 116.94 123.78 1o6j h PHE 93 Ca 0.22 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.23 1o6j h PHE 93 Cb 0.01 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.63 1o6j h PHE 93 CO -0.06 -0.26 -0.47 -0.22 -2.02 0.00 0.00 178.31 175.28 1o6j h LYS 94 N -0.33 -0.42 -0.19 1.11 3.64 -0.63 0.25 116.57 119.99 1o6j h LYS 94 Ca 0.03 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1o6j h LYS 94 Cb 0.36 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1o6j h LYS 94 CO -0.11 -0.28 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.04 1o6j h ASP 95 N -0.44 0.39 -0.19 4.20 3.32 -1.25 -2.06 116.42 120.39 1o6j h ASP 95 Ca 0.09 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1o6j h ASP 95 Cb 0.62 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1o6j h ASP 95 CO -0.50 0.68 -0.06 0.22 -1.72 0.00 0.00 179.24 177.86 1o6j h TYR 96 N 0.33 0.44 -0.03 4.55 3.20 -0.32 -3.24 116.97 121.90 1o6j h TYR 96 Ca 0.04 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 1o6j h TYR 96 Cb 0.71 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1o6j h TYR 96 CO 0.02 0.66 -0.62 -0.92 -1.64 0.00 0.00 178.16 175.65 1o6j h TYR 97 N 0.10 0.15 -0.60 -3.82 3.20 -0.43 -3.08 116.97 112.48 1o6j h TYR 97 Ca 0.05 -0.06 0.18 0.00 3.14 0.00 0.00 58.73 62.03 1o6j h TYR 97 Cb 0.52 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1o6j h TYR 97 CO 0.06 0.71 0.50 0.00 -1.64 0.00 0.00 178.16 177.78 1o6j h ALA 98 N 1.28 2.46 -0.00 1.82 0.00 -1.39 0.58 119.26 124.01 1o6j h ALA 98 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1o6j h ALA 98 Cb 1.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1o6j h ALA 98 CO 0.09 -0.81 -0.11 1.63 0.00 0.00 0.00 179.25 180.05 1o6j n LYS 99 N -4.07 0.77 -4.00 0.00 5.02 -1.16 -4.86 118.16 109.85 1o6j n LYS 99 Ca 0.12 -0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 55.81 1o6j n LYS 99 Cb 0.73 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 1o6j n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o6j s MET 100 N -2.43 3.12 -0.02 1.97 -1.94 0.19 -5.05 119.30 115.15 1o6j s MET 100 Ca 0.30 -0.56 0.10 0.00 -1.71 0.00 0.00 55.69 53.82 1o6j s MET 100 Cb 0.20 -2.87 -0.23 0.00 2.01 0.00 0.00 34.83 33.94 1o6j s MET 100 CO 0.47 0.60 0.75 -1.00 -0.01 0.00 0.00 175.02 175.82 1o6j h PRO 101 N 3.33 0.02 0.00 2.03 0.13 -1.89 -3.47 132.00 132.16 1o6j h PRO 101 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1o6j h PRO 101 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1o6j h PRO 101 CO 0.69 0.63 0.00 -2.67 -0.23 0.00 0.00 178.00 176.42 1o6j n TRP 102 N -3.13 -0.20 -2.68 1.56 2.14 -1.26 -4.80 117.44 109.07 1o6j n TRP 102 Ca -0.15 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.21 1o6j n TRP 102 Cb 1.04 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.58 1o6j n TRP 102 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o6j s LEU 103 N 0.00 3.25 -0.19 5.67 1.02 -0.37 -4.39 118.68 123.68 1o6j s LEU 103 Ca 0.00 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 53.85 1o6j s LEU 103 Cb 0.00 -2.68 0.05 0.00 0.02 0.00 0.00 46.19 43.58 1o6j s LEU 103 CO 0.00 -1.22 0.50 0.00 0.02 0.00 0.00 176.35 175.65 1o6j s ALA 104 N -2.78 -1.25 -0.01 4.21 0.00 -1.05 -0.30 121.76 120.58 1o6j s ALA 104 Ca 0.59 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.67 1o6j s ALA 104 Cb -0.09 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 1o6j s ALA 104 CO 0.39 -0.24 1.53 -1.17 0.00 0.00 0.00 175.76 176.27 1o6j s LEU 105 N 0.28 4.32 0.26 0.00 2.96 -0.69 -0.19 118.68 125.62 1o6j s LEU 105 Ca -0.00 2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 55.83 1o6j s LEU 105 Cb -0.04 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.96 1o6j s LEU 105 CO 0.00 -0.83 1.17 -0.81 -1.32 0.00 0.00 176.35 174.57 1o6j n PRO 106 N 6.05 1.57 -0.25 0.98 -0.04 -1.26 -4.77 135.00 137.28 1o6j n PRO 106 Ca 0.15 0.55 0.02 0.00 -0.04 0.00 0.00 63.50 64.19 1o6j n PRO 106 Cb 0.43 -2.05 0.15 0.00 -0.04 0.00 0.00 33.50 31.99 1o6j n PRO 106 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1o6j h PHE 107 N 2.87 0.64 -0.31 0.54 3.04 -1.98 -2.00 116.94 119.74 1o6j h PHE 107 Ca -0.42 0.03 0.09 0.00 3.98 0.00 0.00 57.97 61.65 1o6j h PHE 107 Cb 1.32 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1o6j h PHE 107 CO 0.51 0.21 0.40 1.05 -2.02 0.00 0.00 178.31 178.47 1o6j h GLU 108 N 0.59 0.00 -3.24 1.11 9.09 -2.01 -3.14 114.58 116.98 1o6j h GLU 108 Ca 0.37 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 59.05 1o6j h GLU 108 Cb 0.43 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.43 1o6j h GLU 108 CO -0.29 0.00 2.63 -3.47 0.05 0.00 0.00 179.01 177.93 1o6j n ASP 109 N -3.55 6.36 -0.29 3.06 2.03 -0.75 -4.68 116.55 118.73 1o6j n ASP 109 Ca 0.05 -2.99 -0.04 0.00 0.52 0.00 0.00 54.79 52.33 1o6j n ASP 109 Cb 0.55 -1.49 0.07 0.00 -0.72 0.00 0.00 41.12 39.53 1o6j n ASP 109 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1o6j h ARG 110 N 5.32 1.03 -0.72 -0.67 2.47 -1.80 -1.46 114.38 118.55 1o6j h ARG 110 Ca 0.60 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 59.30 1o6j h ARG 110 Cb 0.48 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 1o6j h ARG 110 CO 1.66 0.69 0.48 0.87 0.56 0.00 0.00 179.97 184.22 1o6j h LYS 111 N 1.06 0.81 -0.42 0.04 1.57 -1.92 -0.23 116.57 117.48 1o6j h LYS 111 Ca 0.29 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1o6j h LYS 111 Cb -0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1o6j h LYS 111 CO -0.06 0.53 0.09 0.78 -0.57 0.00 0.00 179.45 180.22 1o6j h GLY 112 N 0.83 0.72 2.00 3.86 0.00 -1.67 -1.35 103.07 107.46 1o6j h GLY 112 Ca 0.30 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 1o6j h GLY 112 CO -0.09 0.43 -0.62 0.00 0.00 0.00 0.00 176.54 176.26 1o6j h MET 113 N 0.54 0.00 -0.33 4.80 -0.00 -0.80 -0.48 114.93 118.65 1o6j h MET 113 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.74 1o6j h MET 113 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 1o6j h MET 113 CO 0.00 0.62 -0.18 0.93 -0.00 0.00 0.00 176.91 178.28 1o6j h GLU 114 N 0.00 0.61 0.08 -0.10 5.08 -0.86 -0.49 114.58 118.89 1o6j h GLU 114 Ca -0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1o6j h GLU 114 Cb 1.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1o6j h GLU 114 CO 0.08 0.75 -0.04 0.35 -1.00 0.00 0.00 179.01 179.16 1o6j h PHE 115 N 0.54 -0.10 -0.36 4.33 3.57 -0.68 -1.48 116.94 122.77 1o6j h PHE 115 Ca 0.09 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1o6j h PHE 115 Cb 0.61 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1o6j h PHE 115 CO 0.02 0.18 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.19 1o6j h LEU 116 N -0.37 0.54 -0.30 0.59 3.38 -1.05 0.17 115.31 118.27 1o6j h LEU 116 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1o6j h LEU 116 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1o6j h LEU 116 CO 0.02 0.63 0.11 0.74 0.09 0.00 0.00 178.44 180.03 1o6j h THR 117 N 0.54 1.18 -0.33 0.22 2.02 -0.94 0.28 112.91 115.89 1o6j h THR 117 Ca 0.11 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1o6j h THR 117 Cb 0.39 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1o6j h THR 117 CO 0.02 0.19 0.02 0.74 0.37 0.00 0.00 175.52 176.85 1o6j h THR 118 N 0.33 1.25 -0.58 3.16 2.02 -0.98 0.19 112.91 118.30 1o6j h THR 118 Ca 0.10 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.38 1o6j h THR 118 Cb 0.19 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1o6j h THR 118 CO -0.01 0.30 0.35 1.23 0.37 0.00 0.00 175.52 177.77 1o6j h GLY 119 N 0.38 0.82 -0.67 2.16 0.00 -0.57 0.45 103.07 105.64 1o6j h GLY 119 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1o6j h GLY 119 CO 0.01 0.22 0.00 0.69 0.00 0.00 0.00 176.54 177.47 1o6j n PHE 120 N -4.75 0.16 -3.95 5.60 3.72 0.05 -4.95 117.46 113.34 1o6j n PHE 120 Ca 0.05 -0.08 -0.28 0.00 -0.05 0.00 0.00 57.45 57.09 1o6j n PHE 120 Cb 0.08 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1o6j n PHE 120 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1o6j n ASP 121 N 0.24 -2.11 -4.62 4.37 2.03 0.15 -4.89 116.55 111.72 1o6j n ASP 121 Ca 0.17 -0.92 -0.43 0.00 0.52 0.00 0.00 54.79 54.13 1o6j n ASP 121 Cb 0.32 -3.37 -0.02 0.00 -0.72 0.00 0.00 41.12 37.32 1o6j n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o6j s VAL 122 N -3.62 3.93 -1.66 5.18 1.01 0.49 -4.88 120.40 120.85 1o6j s VAL 122 Ca 0.31 1.01 0.21 0.00 0.00 0.00 0.00 61.98 63.50 1o6j s VAL 122 Cb -0.16 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1o6j s VAL 122 CO 0.87 -0.54 0.98 0.29 0.00 0.00 0.00 175.10 176.70 1o6j n LYS 123 N 7.72 1.13 -3.61 2.72 5.02 -1.26 -4.88 118.16 125.00 1o6j n LYS 123 Ca 0.17 -0.72 -0.03 0.00 -2.02 0.00 0.00 58.31 55.71 1o6j n LYS 123 Cb 0.47 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1o6j n LYS 123 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1o6j s SER 124 N -2.46 -0.16 0.18 4.39 1.04 -1.26 -5.19 113.70 110.23 1o6j s SER 124 Ca 0.15 -0.11 0.07 0.00 0.48 0.00 0.00 55.95 56.54 1o6j s SER 124 Cb 0.16 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1o6j s SER 124 CO 0.60 -0.44 -0.15 0.27 0.98 0.00 0.00 173.24 174.51 1o6j s ILE 125 N -2.70 1.62 0.55 -1.02 -4.36 -1.26 -4.23 121.20 109.80 1o6j s ILE 125 Ca 0.10 -2.05 -0.18 0.00 -0.26 0.00 0.00 60.65 58.26 1o6j s ILE 125 Cb 0.01 -1.89 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 1o6j s ILE 125 CO -0.04 -0.53 1.06 -2.16 0.24 0.00 0.00 174.94 173.51 1o6j s PRO 126 N -3.32 3.48 -0.04 0.37 0.04 -1.26 -4.79 135.00 129.48 1o6j s PRO 126 Ca 0.18 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1o6j s PRO 126 Cb -0.02 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1o6j s PRO 126 CO 0.05 -0.69 -0.04 0.99 0.04 0.00 0.00 177.00 177.35 1o6j s THR 127 N -2.17 0.48 -0.13 1.26 2.01 -1.01 -5.01 115.64 111.06 1o6j s THR 127 Ca 0.66 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1o6j s THR 127 Cb -0.17 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1o6j s THR 127 CO 0.29 0.20 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.09 1o6j s LEU 128 N 0.77 1.47 -0.10 4.42 2.96 -1.26 0.06 118.68 127.00 1o6j s LEU 128 Ca -0.10 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1o6j s LEU 128 Cb -0.13 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.54 1o6j s LEU 128 CO -0.00 -0.08 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.09 1o6j s VAL 129 N 1.55 1.61 -0.13 1.68 1.01 -0.60 -4.38 120.40 121.15 1o6j s VAL 129 Ca 0.04 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1o6j s VAL 129 Cb -0.13 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1o6j s VAL 129 CO -0.09 0.46 0.29 -0.83 0.00 0.00 0.00 175.10 174.93 1o6j s GLY 130 N 0.78 2.24 0.03 4.51 0.00 -0.44 -1.24 107.32 113.20 1o6j s GLY 130 Ca -0.11 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.21 1o6j s GLY 130 CO 0.02 0.27 -0.11 -1.34 0.00 0.00 0.00 173.10 171.93 1o6j s VAL 131 N 0.01 0.88 -0.35 1.40 -7.23 -0.33 -0.75 120.40 114.03 1o6j s VAL 131 Ca 0.17 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1o6j s VAL 131 Cb -0.13 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1o6j s VAL 131 CO 0.05 -0.01 1.38 -0.70 -0.31 0.00 0.00 175.10 175.51 1o6j s GLU 132 N -0.95 3.74 0.50 4.82 2.12 0.11 -1.02 118.70 128.02 1o6j s GLU 132 Ca 0.00 1.11 0.26 0.00 0.36 0.00 0.00 54.97 56.70 1o6j s GLU 132 Cb -0.07 -3.96 1.34 0.00 0.26 0.00 0.00 34.13 31.70 1o6j s GLU 132 CO 0.01 -1.36 1.91 0.00 -0.54 0.00 0.00 175.26 175.28 1o6j h ALA 133 N 10.08 2.57 0.00 6.30 0.00 -1.69 -0.76 119.26 135.76 1o6j h ALA 133 Ca -0.27 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1o6j h ALA 133 Cb 1.10 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1o6j h ALA 133 CO 1.06 -0.81 -1.21 -0.44 0.00 0.00 0.00 179.25 177.85 1o6j h ASP 134 N 0.13 0.00 0.00 0.00 3.32 -1.89 -3.33 116.42 114.64 1o6j h ASP 134 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1o6j h ASP 134 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1o6j h ASP 134 CO -0.05 0.98 -1.24 -1.54 -1.72 0.00 0.00 179.24 175.66 1o6j n SER 135 N -3.24 1.12 -0.65 6.45 3.41 -1.12 -4.67 113.62 114.91 1o6j n SER 135 Ca -0.05 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.08 1o6j n SER 135 Cb 0.97 1.38 -0.04 0.00 -0.26 0.00 0.00 64.21 66.26 1o6j n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o6j n GLY 136 N 1.50 1.01 3.81 5.00 0.00 -0.31 -4.95 105.19 111.25 1o6j n GLY 136 Ca -0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1o6j n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o6j s ASN 137 N -2.70 7.11 -0.37 1.61 0.01 -1.25 -4.86 114.94 114.49 1o6j s ASN 137 Ca 0.00 1.52 -0.29 0.00 -0.71 0.00 0.00 52.86 53.38 1o6j s ASN 137 Cb 0.00 -2.46 0.02 0.00 0.41 0.00 0.00 41.25 39.22 1o6j s ASN 137 CO 0.00 -0.00 1.17 -0.63 -1.51 0.00 0.00 177.10 176.13 1o6j s ILE 138 N -1.57 4.29 -0.04 0.60 1.01 -1.26 -0.71 121.20 123.51 1o6j s ILE 138 Ca 0.45 1.42 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 1o6j s ILE 138 Cb -0.17 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1o6j s ILE 138 CO 0.21 -0.66 0.39 0.40 0.00 0.00 0.00 174.94 175.28 1o6j h ILE 139 N 5.99 0.00 -4.04 2.92 1.08 -1.27 -3.43 117.51 118.76 1o6j h ILE 139 Ca -0.23 -0.57 -0.48 0.00 -0.39 0.00 0.00 64.86 63.19 1o6j h ILE 139 Cb 1.07 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.58 1o6j h ILE 139 CO 1.07 0.00 -0.81 0.28 -0.69 0.00 0.00 178.15 178.00 1o6j s THR 140 N -2.47 1.30 -0.64 -0.27 -1.32 -1.01 -3.50 115.64 107.73 1o6j s THR 140 Ca -0.04 -1.15 0.05 0.00 -1.21 0.00 0.00 61.69 59.34 1o6j s THR 140 Cb 0.00 -1.18 0.06 0.00 -1.51 0.00 0.00 72.50 69.88 1o6j s THR 140 CO 0.12 0.01 0.75 1.07 -2.21 0.00 0.00 174.62 174.36 1o6j n THR 141 N 1.70 0.16 -1.62 5.08 5.66 -1.26 -1.33 114.28 122.68 1o6j n THR 141 Ca -0.18 -0.58 0.06 0.00 -3.05 0.00 0.00 64.05 60.29 1o6j n THR 141 Cb 0.54 1.01 0.10 0.00 -1.55 0.00 0.00 70.33 70.43 1o6j n THR 141 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o6j n GLN 142 N 0.25 0.80 0.23 1.09 10.64 -1.26 -4.77 117.38 124.36 1o6j n GLN 142 Ca 0.04 -2.19 0.06 0.00 -1.83 0.00 0.00 57.00 53.08 1o6j n GLN 142 Cb 0.17 -1.04 0.55 0.00 -0.86 0.00 0.00 30.24 29.05 1o6j n GLN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1o6j h ALA 143 N 0.31 1.80 -0.24 2.61 0.00 -1.82 -1.26 119.26 120.67 1o6j h ALA 143 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1o6j h ALA 143 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1o6j h ALA 143 CO 0.01 0.15 0.13 -0.09 0.00 0.00 0.00 179.25 179.45 1o6j h ARG 144 N 0.02 0.33 -0.15 0.00 9.65 -1.86 0.53 114.38 122.90 1o6j h ARG 144 Ca 0.00 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 1o6j h ARG 144 Cb 0.19 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1o6j h ARG 144 CO 0.01 0.31 -0.14 1.15 2.80 0.00 0.00 179.97 184.10 1o6j h THR 145 N 0.27 1.34 0.00 0.20 2.02 -1.86 -3.29 112.91 111.59 1o6j h THR 145 Ca 0.08 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1o6j h THR 145 Cb 0.07 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1o6j h THR 145 CO -0.01 0.38 0.00 0.24 0.37 0.00 0.00 175.52 176.50 1o6j h MET 146 N -0.01 0.00 -0.46 6.66 2.86 -0.96 -2.84 114.93 120.19 1o6j h MET 146 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1o6j h MET 146 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1o6j h MET 146 CO 0.04 0.00 0.09 0.28 1.06 0.00 0.00 176.91 178.37 1o6j h VAL 147 N 0.00 1.21 0.11 -2.22 2.07 -0.02 0.38 116.25 117.78 1o6j h VAL 147 Ca 0.00 -0.77 -0.30 0.00 0.82 0.00 0.00 66.70 66.45 1o6j h VAL 147 Cb 0.73 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1o6j h VAL 147 CO 0.00 0.28 -1.49 -0.37 0.02 0.00 0.00 177.57 176.01 1o6j h VAL 148 N 0.67 1.20 0.00 2.57 -1.51 -1.65 -3.19 116.25 114.34 1o6j h VAL 148 Ca 0.15 -2.84 -0.15 0.00 -1.23 0.00 0.00 66.70 62.63 1o6j h VAL 148 Cb 0.29 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 1o6j h VAL 148 CO 0.00 0.82 -0.71 0.11 -1.23 0.00 0.00 177.57 176.56 1o6j h LYS 149 N 0.06 0.00 -1.96 5.19 1.57 -1.44 -3.36 116.57 116.63 1o6j h LYS 149 Ca -0.22 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.99 1o6j h LYS 149 Cb 2.00 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.89 1o6j h LYS 149 CO 0.16 0.71 -0.77 -3.47 -0.57 0.00 0.00 179.45 175.51 1o6j n ASP 150 N -3.28 3.91 0.29 0.86 2.03 0.13 -4.91 116.55 115.58 1o6j n ASP 150 Ca 0.01 -3.55 0.16 0.00 0.52 0.00 0.00 54.79 51.93 1o6j n ASP 150 Cb 0.82 -0.54 0.78 0.00 -0.72 0.00 0.00 41.12 41.46 1o6j n ASP 150 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1o6j h PRO 151 N 2.87 0.00 0.00 -0.67 0.13 -1.71 0.21 132.00 132.84 1o6j h PRO 151 Ca 0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1o6j h PRO 151 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1o6j h PRO 151 CO 0.77 0.00 -1.25 0.93 -0.23 0.00 0.00 178.00 178.22 1o6j h GLU 152 N 0.00 0.00 0.00 0.86 4.39 -1.90 -3.47 114.58 114.45 1o6j h GLU 152 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1o6j h GLU 152 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1o6j h GLU 152 CO -0.00 0.35 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1o6j n ALA 153 N -2.37 0.00 0.21 3.43 0.00 0.06 -5.01 120.51 116.83 1o6j n ALA 153 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1o6j n ALA 153 Cb 0.83 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1o6j n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o6j h LYS 154 N 0.00 -0.65 -0.56 0.00 1.57 -1.94 -2.94 116.57 112.06 1o6j h LYS 154 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1o6j h LYS 154 Cb 0.12 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1o6j h LYS 154 CO 0.00 -0.43 0.00 -0.25 -0.57 0.00 0.00 179.45 178.20 1o6j n ASP 155 N -5.43 3.06 -4.54 0.86 9.92 -1.26 -4.98 116.55 114.18 1o6j n ASP 155 Ca -0.09 -2.15 -0.42 0.00 -0.53 0.00 0.00 54.79 51.60 1o6j n ASP 155 Cb 0.34 -0.41 0.01 0.00 -0.64 0.00 0.00 41.12 40.42 1o6j n ASP 155 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1o6j n PHE 156 N 0.84 0.47 -1.29 1.24 7.35 -1.11 -0.39 117.46 124.57 1o6j n PHE 156 Ca 0.17 0.60 -0.33 0.00 -0.76 0.00 0.00 57.45 57.13 1o6j n PHE 156 Cb 0.54 -2.13 0.09 0.00 0.35 0.00 0.00 39.48 38.33 1o6j n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1o6j n PRO 157 N 0.35 2.59 -3.98 -7.13 -0.04 -1.26 -4.93 135.00 120.61 1o6j n PRO 157 Ca 0.11 -3.16 -0.32 0.00 -0.04 0.00 0.00 63.50 60.08 1o6j n PRO 157 Cb 0.38 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1o6j n PRO 157 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o6j n TRP 158 N -0.87 -1.59 -1.66 0.54 8.01 0.47 -4.52 117.44 117.82 1o6j n TRP 158 Ca 0.61 0.51 -0.45 0.00 -1.31 0.00 0.00 57.50 56.86 1o6j n TRP 158 Cb 0.75 -3.31 -0.03 0.00 -2.01 0.00 0.00 31.31 26.71 1o6j n TRP 158 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1o6j n PRO 159 N -4.52 1.95 -0.47 -0.99 -0.02 -1.26 -4.64 135.00 125.06 1o6j n PRO 159 Ca -0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1o6j n PRO 159 Cb 0.64 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1o6j n PRO 159 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1o6j n ASN 160 N 2.32 0.00 0.00 2.55 2.04 -1.23 -5.01 115.26 115.93 1o6j n ASN 160 Ca 0.13 -1.28 0.00 0.00 -0.44 0.00 0.00 54.58 52.99 1o6j n ASN 160 Cb 0.30 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 1o6j n ASN 160 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1o6j n VAL 161 N 0.00 0.00 0.00 3.53 0.31 -1.25 -4.88 118.33 116.03 1o6j n VAL 161 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1o6j n VAL 161 Cb 0.56 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1o6j n VAL 161 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67