#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oro s LYS 2 N 0.00 3.81 0.27 3.17 -0.14 -1.26 -4.91 119.74 120.67 1oro s LYS 2 Ca 0.00 1.17 -0.00 0.00 -1.36 0.00 0.00 55.97 55.78 1oro s LYS 2 Cb 0.00 -2.11 0.54 0.00 -1.68 0.00 0.00 37.83 34.59 1oro s LYS 2 CO 0.00 -0.40 1.77 -1.35 -0.76 0.00 0.00 175.35 174.61 1oro h PRO 3 N 1.20 0.65 0.00 -1.68 0.11 -2.04 0.02 132.00 130.26 1oro h PRO 3 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1oro h PRO 3 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1oro h PRO 3 CO 0.60 0.43 -0.14 0.10 -0.21 0.00 0.00 178.00 178.77 1oro h TYR 4 N 0.67 0.00 -0.17 0.65 -0.00 -1.98 0.35 116.97 116.48 1oro h TYR 4 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 59.08 1oro h TYR 4 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.38 1oro h TYR 4 CO -0.08 0.14 -0.36 1.96 -0.00 0.00 0.00 178.16 179.83 1oro h GLN 5 N 0.00 0.55 -0.33 0.10 4.20 -1.33 -0.65 115.11 117.65 1oro h GLN 5 Ca -0.00 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1oro h GLN 5 Cb 0.26 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1oro h GLN 5 CO 0.02 0.97 0.13 -0.09 -0.67 0.00 0.00 178.83 179.19 1oro h ARG 6 N 0.20 0.50 -0.83 1.46 2.43 -0.92 -1.89 114.38 115.32 1oro h ARG 6 Ca 0.00 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1oro h ARG 6 Cb 0.96 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1oro h ARG 6 CO 0.08 0.50 0.54 1.96 -1.51 0.00 0.00 179.97 181.54 1oro h GLN 7 N 0.39 1.10 -0.44 0.20 4.20 -0.93 -1.49 115.11 118.14 1oro h GLN 7 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1oro h GLN 7 Cb 0.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1oro h GLN 7 CO -0.01 0.74 0.13 0.35 -0.67 0.00 0.00 178.83 179.37 1oro h PHE 8 N 1.13 0.72 -0.03 2.96 3.57 -0.65 -0.09 116.94 124.55 1oro h PHE 8 Ca 0.30 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1oro h PHE 8 Cb -0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1oro h PHE 8 CO 0.00 0.65 -0.00 0.82 -2.23 0.00 0.00 178.31 177.56 1oro h ILE 9 N 0.58 0.98 -0.35 1.41 2.04 -0.84 0.19 117.51 121.51 1oro h ILE 9 Ca 0.14 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1oro h ILE 9 Cb 0.28 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1oro h ILE 9 CO -0.00 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.88 1oro h GLU 10 N 0.01 0.52 -0.19 2.37 5.08 -1.14 0.24 114.58 121.48 1oro h GLU 10 Ca 0.01 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1oro h GLU 10 Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1oro h GLU 10 CO -0.03 0.51 -0.37 0.35 -1.00 0.00 0.00 179.01 178.47 1oro h PHE 11 N 0.51 0.74 -0.61 4.33 3.57 -0.59 -1.32 116.94 123.57 1oro h PHE 11 Ca 0.12 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1oro h PHE 11 Cb 0.24 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1oro h PHE 11 CO 0.01 1.02 0.22 0.00 -2.23 0.00 0.00 178.31 177.32 1oro h ALA 12 N 0.59 1.22 -0.03 2.41 0.00 -0.18 -2.06 119.26 121.22 1oro h ALA 12 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oro h ALA 12 Cb 0.97 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1oro h ALA 12 CO 0.08 0.56 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1oro h LEU 13 N 0.89 0.05 -2.03 0.00 3.38 -0.82 0.18 115.31 116.97 1oro h LEU 13 Ca 0.21 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1oro h LEU 13 Cb 0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1oro h LEU 13 CO -0.01 0.28 0.04 0.77 0.09 0.00 0.00 178.44 179.60 1oro h SER 14 N -0.18 0.00 -0.44 -0.43 4.64 -0.99 -0.77 113.55 115.38 1oro h SER 14 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1oro h SER 14 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1oro h SER 14 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1oro n LYS 15 N -4.48 2.24 -1.64 4.77 4.76 -0.79 -4.91 118.16 118.10 1oro n LYS 15 Ca -0.02 -1.90 -0.19 0.00 -2.87 0.00 0.00 58.31 53.33 1oro n LYS 15 Cb 0.14 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 31.81 1oro n LYS 15 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1oro n GLN 16 N 1.07 -1.33 0.08 1.97 1.13 -0.30 -4.83 117.38 115.17 1oro n GLN 16 Ca 0.18 1.13 -0.12 0.00 -1.94 0.00 0.00 57.00 56.26 1oro n GLN 16 Cb 0.48 -5.46 -0.04 0.00 0.11 0.00 0.00 30.24 25.33 1oro n GLN 16 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1oro h VAL 17 N 0.00 1.44 -3.29 5.09 2.07 -0.88 -3.42 116.25 117.27 1oro h VAL 17 Ca -0.39 -2.56 -0.66 0.00 0.82 0.00 0.00 66.70 63.91 1oro h VAL 17 Cb 1.24 2.48 -0.31 0.00 -1.52 0.00 0.00 31.29 33.18 1oro h VAL 17 CO 0.56 0.76 -0.78 -0.22 0.02 0.00 0.00 177.57 177.91 1oro s LEU 18 N -7.58 2.64 -0.05 2.57 2.96 -0.88 -0.05 118.68 118.29 1oro s LEU 18 Ca -0.05 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1oro s LEU 18 Cb 0.09 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1oro s LEU 18 CO 0.86 -0.02 -0.20 -0.54 -1.32 0.00 0.00 176.35 175.12 1oro s LYS 19 N 1.39 2.03 -0.22 1.98 1.02 0.48 -4.42 119.74 122.00 1oro s LYS 19 Ca 0.05 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 1oro s LYS 19 Cb -0.14 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1oro s LYS 19 CO -0.07 0.29 0.07 -0.06 -0.92 0.00 0.00 175.35 174.66 1oro s PHE 20 N -0.05 3.14 0.00 3.18 0.08 -1.26 -0.22 117.98 122.85 1oro s PHE 20 Ca -0.03 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1oro s PHE 20 Cb -0.12 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.15 1oro s PHE 20 CO 0.03 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 1oro n GLY 21 N 4.40 -0.00 2.99 4.36 0.00 -0.11 -4.98 105.19 111.85 1oro n GLY 21 Ca -0.16 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1oro n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oro s GLU 22 N 3.14 0.27 0.06 1.61 0.41 -1.26 -4.24 118.70 118.68 1oro s GLU 22 Ca 0.00 0.65 0.02 0.00 -0.41 0.00 0.00 54.97 55.23 1oro s GLU 22 Cb 0.00 -0.30 -0.03 0.00 -1.78 0.00 0.00 34.13 32.02 1oro s GLU 22 CO 0.00 -0.47 -0.08 -0.06 -0.49 0.00 0.00 175.26 174.17 1oro s PHE 23 N 2.50 0.78 -0.38 1.61 0.40 0.87 -4.98 117.98 118.78 1oro s PHE 23 Ca 0.06 -0.63 -0.13 0.00 -0.60 0.00 0.00 56.93 55.63 1oro s PHE 23 Cb -0.14 -0.46 0.02 0.00 0.51 0.00 0.00 43.02 42.95 1oro s PHE 23 CO -0.13 -0.09 0.24 0.99 0.70 0.00 0.00 175.22 176.93 1oro s THR 24 N -2.10 4.91 0.70 0.64 2.01 -1.26 0.18 115.64 120.73 1oro s THR 24 Ca -0.02 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 1oro s THR 24 Cb -0.05 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1oro s THR 24 CO -0.01 -0.21 1.08 -0.76 -0.69 0.00 0.00 174.62 174.04 1oro s LEU 25 N 1.63 3.22 -1.14 4.42 1.43 0.82 -4.87 118.68 124.18 1oro s LEU 25 Ca 0.04 1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 54.80 1oro s LEU 25 Cb -0.19 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 1oro s LEU 25 CO 0.08 -1.68 2.13 0.29 0.23 0.00 0.00 176.35 177.40 1oro n LYS 26 N -2.93 2.26 0.00 1.70 4.76 -1.26 -1.59 118.16 121.11 1oro n LYS 26 Ca 0.09 -2.18 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1oro n LYS 26 Cb 0.53 -3.05 0.00 0.00 -1.84 0.00 0.00 35.03 30.67 1oro n LYS 26 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1oro n SER 27 N 6.45 0.00 0.00 4.39 3.41 -1.26 -4.97 113.62 121.64 1oro n SER 27 Ca 0.52 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1oro n SER 27 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1oro n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oro n GLY 28 N 0.00 2.96 3.72 5.00 0.00 -0.62 -4.97 105.19 111.27 1oro n GLY 28 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1oro n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oro n ARG 29 N -1.67 2.78 -3.14 1.61 1.74 -1.25 -4.73 116.66 112.00 1oro n ARG 29 Ca 0.00 1.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.65 1oro n ARG 29 Cb 0.00 -2.85 -0.07 0.00 -1.02 0.00 0.00 32.46 28.52 1oro n ARG 29 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1oro s LYS 30 N 1.24 3.20 -0.04 5.56 2.47 -1.26 -0.13 119.74 130.78 1oro s LYS 30 Ca 0.75 -0.60 -0.03 0.00 -1.56 0.00 0.00 55.97 54.53 1oro s LYS 30 Cb -0.50 -4.01 -0.04 0.00 -1.46 0.00 0.00 37.83 31.82 1oro s LYS 30 CO 0.32 -1.09 0.15 0.45 0.16 0.00 0.00 175.35 175.34 1oro s SER 31 N 2.27 6.23 0.00 1.43 0.15 0.13 -4.91 113.70 119.00 1oro s SER 31 Ca 0.19 0.34 0.18 0.00 0.70 0.00 0.00 55.95 57.36 1oro s SER 31 Cb -0.16 -1.95 0.83 0.00 -1.71 0.00 0.00 66.02 63.04 1oro s SER 31 CO 0.16 0.31 1.57 -0.81 1.20 0.00 0.00 173.24 175.66 1oro n PRO 32 N 1.29 1.36 -3.67 5.44 -0.04 -1.26 -0.09 135.00 138.02 1oro n PRO 32 Ca -0.14 -0.55 -0.15 0.00 -0.04 0.00 0.00 63.50 62.63 1oro n PRO 32 Cb 0.53 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1oro n PRO 32 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1oro s TYR 33 N -1.88 -0.39 -0.00 0.54 1.13 -1.26 -0.93 117.35 114.54 1oro s TYR 33 Ca 0.28 0.72 0.04 0.00 -1.41 0.00 0.00 57.07 56.70 1oro s TYR 33 Cb 0.14 0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 41.20 1oro s TYR 33 CO 0.22 -0.44 -0.13 0.12 -2.51 0.00 0.00 175.55 172.81 1oro s PHE 34 N -1.02 1.17 -0.07 -3.49 5.36 0.69 -4.86 117.98 115.75 1oro s PHE 34 Ca -0.11 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1oro s PHE 34 Cb -0.03 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1oro s PHE 34 CO 0.06 -0.01 -0.11 0.12 -1.46 0.00 0.00 175.22 173.81 1oro s PHE 35 N -0.36 1.42 -0.37 10.12 5.36 -1.26 -0.39 117.98 132.51 1oro s PHE 35 Ca 0.05 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1oro s PHE 35 Cb -0.05 -1.07 0.15 0.00 -0.34 0.00 0.00 43.02 41.71 1oro s PHE 35 CO -0.00 -0.31 0.29 1.21 -1.46 0.00 0.00 175.22 174.95 1oro s ASN 36 N 0.85 2.09 0.50 6.13 2.47 0.92 -4.98 114.94 122.92 1oro s ASN 36 Ca -0.11 -2.07 0.34 0.00 0.42 0.00 0.00 52.86 51.44 1oro s ASN 36 Cb -0.15 -0.02 1.82 0.00 -1.45 0.00 0.00 41.25 41.45 1oro s ASN 36 CO 0.02 -0.27 2.03 0.00 -3.72 0.00 0.00 177.10 175.15 1oro h ALA 37 N 6.83 1.00 0.00 1.71 0.00 -1.97 -2.09 119.26 124.74 1oro h ALA 37 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1oro h ALA 37 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1oro h ALA 37 CO 0.24 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1oro n GLY 38 N -1.17 -0.52 0.38 0.00 0.00 -1.26 -1.15 105.19 101.47 1oro n GLY 38 Ca -0.02 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1oro n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oro n LEU 39 N -1.36 1.28 -4.51 0.99 4.77 -0.79 -4.45 117.00 112.93 1oro n LEU 39 Ca 0.02 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 1oro n LEU 39 Cb 0.04 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1oro n LEU 39 CO 0.04 0.22 1.52 -0.36 -1.33 0.00 0.00 177.39 177.48 1oro s PHE 40 N -2.20 3.05 -0.19 -1.77 0.08 -0.30 -4.77 117.98 111.87 1oro s PHE 40 Ca 0.33 -1.64 0.14 0.00 0.12 0.00 0.00 56.93 55.88 1oro s PHE 40 Cb 0.20 -4.51 0.41 0.00 -0.57 0.00 0.00 43.02 38.55 1oro s PHE 40 CO 0.41 -1.63 1.27 0.27 -0.10 0.00 0.00 175.22 175.44 1oro n ASN 41 N 7.18 2.41 -4.34 1.36 0.23 -1.26 -4.68 115.26 116.16 1oro n ASN 41 Ca 0.38 -3.46 -0.17 0.00 -0.53 0.00 0.00 54.58 50.79 1oro n ASN 41 Cb 0.46 -0.52 -0.10 0.00 -2.08 0.00 0.00 39.78 37.54 1oro n ASN 41 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1oro s THR 42 N -3.05 0.70 0.20 5.53 -4.23 -1.26 -5.04 115.64 108.49 1oro s THR 42 Ca 0.38 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1oro s THR 42 Cb 0.34 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.68 1oro s THR 42 CO 0.00 -0.04 1.78 1.23 -0.54 0.00 0.00 174.62 177.05 1oro h GLY 43 N 2.36 0.87 1.50 3.99 0.00 -1.99 -0.93 103.07 108.86 1oro h GLY 43 Ca -0.39 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1oro h GLY 43 CO 0.63 0.10 -0.33 -0.09 0.00 0.00 0.00 176.54 176.84 1oro h ARG 44 N 0.56 0.57 -0.05 4.80 2.43 -1.98 0.36 114.38 121.06 1oro h ARG 44 Ca 0.28 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1oro h ARG 44 Cb 0.22 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1oro h ARG 44 CO -0.20 0.83 0.02 -0.44 -1.51 0.00 0.00 179.97 178.67 1oro h ASP 45 N 0.48 0.06 -0.46 -3.80 3.32 -1.79 -1.02 116.42 113.21 1oro h ASP 45 Ca 0.05 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1oro h ASP 45 Cb 0.81 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1oro h ASP 45 CO 0.07 0.15 0.28 -0.07 -1.72 0.00 0.00 179.24 177.95 1oro h LEU 46 N -0.03 0.54 -0.02 1.55 3.38 -1.07 0.19 115.31 119.85 1oro h LEU 46 Ca 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1oro h LEU 46 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1oro h LEU 46 CO -0.00 0.43 -0.09 0.00 0.09 0.00 0.00 178.44 178.86 1oro h ALA 47 N 1.14 -0.08 -0.42 1.53 0.00 -0.74 0.24 119.26 120.92 1oro h ALA 47 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1oro h ALA 47 Cb -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1oro h ALA 47 CO -0.03 -0.58 0.02 -0.07 0.00 0.00 0.00 179.25 178.59 1oro h LEU 48 N -0.15 0.71 -0.54 0.00 3.38 -1.03 -1.96 115.31 115.73 1oro h LEU 48 Ca 0.04 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1oro h LEU 48 Cb 0.20 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1oro h LEU 48 CO -0.10 0.83 0.17 0.25 0.09 0.00 0.00 178.44 179.68 1oro h LEU 49 N 0.58 0.14 -1.11 1.67 5.85 -0.41 0.40 115.31 122.44 1oro h LEU 49 Ca 0.12 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1oro h LEU 49 Cb 0.45 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1oro h LEU 49 CO 0.02 0.10 0.48 1.23 -0.34 0.00 0.00 178.44 179.93 1oro h GLY 50 N 0.34 1.17 0.99 3.75 0.00 -0.67 -1.02 103.07 107.62 1oro h GLY 50 Ca 0.27 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1oro h GLY 50 CO -0.29 0.47 0.10 3.21 0.00 0.00 0.00 176.54 180.03 1oro h ARG 51 N 1.11 0.84 -0.30 4.80 3.08 -0.24 -1.11 114.38 122.56 1oro h ARG 51 Ca 0.29 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1oro h ARG 51 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1oro h ARG 51 CO -0.05 0.82 0.06 0.74 -1.07 0.00 0.00 179.97 180.47 1oro h PHE 52 N 0.73 0.52 -0.35 3.04 0.04 -0.28 -0.21 116.94 120.42 1oro h PHE 52 Ca 0.16 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1oro h PHE 52 Cb 0.38 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1oro h PHE 52 CO 0.03 0.56 0.22 1.88 -0.60 0.00 0.00 178.31 180.40 1oro h TYR 53 N 0.32 0.46 -0.80 -0.55 -1.99 -1.17 -1.47 116.97 111.77 1oro h TYR 53 Ca 0.09 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1oro h TYR 53 Cb 0.32 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.85 1oro h TYR 53 CO 0.02 0.32 0.51 0.00 -0.00 0.00 0.00 178.16 179.01 1oro h ALA 54 N 1.10 1.05 0.02 3.88 0.00 -0.96 -0.42 119.26 123.94 1oro h ALA 54 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oro h ALA 54 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1oro h ALA 54 CO -0.03 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 180.45 1oro h GLU 55 N 1.00 -0.07 -0.70 0.00 4.39 -0.52 -1.25 114.58 117.44 1oro h GLU 55 Ca 0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1oro h GLU 55 Cb 0.01 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1oro h GLU 55 CO -0.11 -0.05 0.30 0.00 -1.16 0.00 0.00 179.01 177.99 1oro h ALA 56 N 0.91 1.21 0.20 3.43 0.00 -0.93 -0.85 119.26 123.22 1oro h ALA 56 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1oro h ALA 56 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1oro h ALA 56 CO -0.02 0.58 -0.09 1.25 0.00 0.00 0.00 179.25 180.97 1oro h LEU 57 N 1.00 -0.22 -0.70 0.00 5.85 -0.81 -1.46 115.31 118.97 1oro h LEU 57 Ca 0.24 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1oro h LEU 57 Cb 0.16 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1oro h LEU 57 CO -0.02 -0.00 -0.21 0.58 -0.34 0.00 0.00 178.44 178.44 1oro h VAL 58 N -0.44 1.27 -0.18 1.05 2.07 -1.19 -2.86 116.25 115.97 1oro h VAL 58 Ca -0.03 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1oro h VAL 58 Cb 0.34 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1oro h VAL 58 CO 0.04 0.44 -0.12 -0.78 0.02 0.00 0.00 177.57 177.17 1oro h ASP 59 N 0.68 0.28 -0.01 0.57 3.58 -1.10 -2.66 116.42 117.77 1oro h ASP 59 Ca 0.10 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 1oro h ASP 59 Cb 0.72 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1oro h ASP 59 CO 0.06 0.43 -0.14 0.77 -2.88 0.00 0.00 179.24 177.47 1oro h SER 60 N 0.28 0.30 -0.00 2.28 4.64 -1.02 -3.46 113.55 116.56 1oro h SER 60 Ca 0.06 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1oro h SER 60 Cb 0.39 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1oro h SER 60 CO 0.02 0.47 -0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1oro n GLY 61 N -0.77 0.42 3.72 -0.77 0.00 -1.00 -4.99 105.19 101.80 1oro n GLY 61 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1oro n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oro s ILE 62 N -1.84 4.30 0.03 -0.61 1.01 -1.26 -5.01 121.20 117.81 1oro s ILE 62 Ca 0.00 1.69 -0.27 0.00 0.00 0.00 0.00 60.65 62.07 1oro s ILE 62 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1oro s ILE 62 CO 0.00 0.15 0.85 -1.61 0.00 0.00 0.00 174.94 174.33 1oro s GLU 63 N 0.86 4.54 0.12 2.79 2.02 -1.26 -4.99 118.70 122.79 1oro s GLU 63 Ca 0.55 1.20 -0.16 0.00 0.02 0.00 0.00 54.97 56.58 1oro s GLU 63 Cb -0.27 -3.41 0.04 0.00 0.10 0.00 0.00 34.13 30.59 1oro s GLU 63 CO 0.29 0.14 0.40 -0.59 0.02 0.00 0.00 175.26 175.53 1oro s PHE 64 N 0.40 -0.21 -0.15 1.61 -0.71 -1.26 -4.88 117.98 112.77 1oro s PHE 64 Ca 0.43 -0.09 0.09 0.00 -1.04 0.00 0.00 56.93 56.33 1oro s PHE 64 Cb -0.21 0.26 -0.16 0.00 -1.21 0.00 0.00 43.02 41.70 1oro s PHE 64 CO 0.25 -0.69 -0.01 -0.25 -1.34 0.00 0.00 175.22 173.17 1oro n ASP 65 N -0.17 1.81 -3.85 1.98 8.00 0.17 -4.96 116.55 119.52 1oro n ASP 65 Ca -0.16 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.21 1oro n ASP 65 Cb 0.63 0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 42.16 1oro n ASP 65 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1oro s LEU 66 N -5.35 1.37 -0.19 0.64 0.05 -1.13 -4.09 118.68 109.98 1oro s LEU 66 Ca -0.12 -0.43 -0.11 0.00 0.05 0.00 0.00 54.13 53.51 1oro s LEU 66 Cb 0.05 0.98 -0.05 0.00 -2.05 0.00 0.00 46.19 45.12 1oro s LEU 66 CO 0.54 -0.60 0.19 -0.76 -0.55 0.00 0.00 176.35 175.17 1oro s LEU 67 N -2.27 4.20 -0.13 1.48 1.43 -0.45 -0.77 118.68 122.18 1oro s LEU 67 Ca -0.03 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1oro s LEU 67 Cb 0.00 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1oro s LEU 67 CO -0.06 0.13 -0.16 0.12 0.23 0.00 0.00 176.35 176.61 1oro s PHE 68 N 0.52 2.74 -0.19 0.29 5.36 -0.45 -0.53 117.98 125.73 1oro s PHE 68 Ca 0.11 -0.91 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 1oro s PHE 68 Cb -0.12 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1oro s PHE 68 CO 0.01 -0.37 -0.16 0.20 -1.46 0.00 0.00 175.22 173.44 1oro s GLY 69 N 0.55 1.45 0.28 13.12 0.00 -0.24 -0.65 107.32 121.83 1oro s GLY 69 Ca -0.10 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 1oro s GLY 69 CO 0.04 0.30 1.17 -4.14 0.00 0.00 0.00 173.10 170.47 1oro s PRO 70 N 1.31 4.55 0.23 2.90 0.02 -1.26 -3.95 135.00 138.79 1oro s PRO 70 Ca 0.04 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1oro s PRO 70 Cb -0.13 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.13 1oro s PRO 70 CO -0.10 0.07 1.22 0.00 -0.33 0.00 0.00 177.00 177.86 1oro s ALA 71 N -1.03 3.46 -0.20 -1.55 0.00 -1.26 -0.04 121.76 121.13 1oro s ALA 71 Ca 0.47 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.52 1oro s ALA 71 Cb -0.34 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.19 1oro s ALA 71 CO 0.44 -0.41 -0.10 0.66 0.00 0.00 0.00 175.76 176.36 1oro n TYR 72 N 1.96 0.00 -0.33 0.00 4.02 -1.26 -4.81 117.16 116.75 1oro n TYR 72 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.04 1oro n TYR 72 Cb 0.44 -0.83 0.31 0.00 -0.02 0.00 0.00 39.34 39.23 1oro n TYR 72 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1oro h LYS 73 N 0.00 0.61 0.00 -0.72 1.57 -1.97 -1.88 116.57 114.17 1oro h LYS 73 Ca -0.47 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1oro h LYS 73 Cb 1.86 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 1oro h LYS 73 CO -0.04 0.40 -0.11 0.78 -0.57 0.00 0.00 179.45 179.92 1oro h GLY 74 N 0.63 0.00 0.98 3.86 0.00 -0.72 -3.34 103.07 104.48 1oro h GLY 74 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1oro h GLY 74 CO -0.43 0.00 -0.37 -2.22 0.00 0.00 0.00 176.54 173.53 1oro h ILE 75 N 0.00 0.25 -0.27 2.60 2.04 -1.26 0.17 117.51 121.04 1oro h ILE 75 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1oro h ILE 75 Cb 0.47 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1oro h ILE 75 CO 0.01 0.00 -0.07 1.55 0.00 0.00 0.00 178.15 179.64 1oro h PRO 76 N -1.00 0.43 -0.20 2.37 0.13 -1.74 -1.20 132.00 130.79 1oro h PRO 76 Ca -0.10 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1oro h PRO 76 Cb 0.78 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1oro h PRO 76 CO 0.15 0.52 -0.01 0.82 -0.23 0.00 0.00 178.00 179.25 1oro h ILE 77 N 0.41 1.27 -0.64 -3.56 2.04 -1.64 -0.59 117.51 114.79 1oro h ILE 77 Ca 0.08 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1oro h ILE 77 Cb 0.38 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1oro h ILE 77 CO 0.02 0.28 0.35 0.00 0.00 0.00 0.00 178.15 178.80 1oro h ALA 78 N 0.77 0.82 0.53 1.87 0.00 -0.51 -0.73 119.26 122.02 1oro h ALA 78 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1oro h ALA 78 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oro h ALA 78 CO 0.01 0.34 -0.38 1.15 0.00 0.00 0.00 179.25 180.37 1oro h THR 79 N 0.88 0.23 -0.29 0.00 2.02 -1.02 -0.34 112.91 114.38 1oro h THR 79 Ca 0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 1oro h THR 79 Cb 0.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1oro h THR 79 CO -0.04 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.83 1oro h THR 80 N -0.88 1.18 -0.54 3.16 1.03 -1.01 -1.27 112.91 114.59 1oro h THR 80 Ca -0.06 -0.75 -0.12 0.00 -0.01 0.00 0.00 66.41 65.48 1oro h THR 80 Cb 0.74 1.00 -0.02 0.00 -1.07 0.00 0.00 68.15 68.80 1oro h THR 80 CO 0.03 0.25 -0.12 0.74 -0.01 0.00 0.00 175.52 176.41 1oro h THR 81 N 0.43 1.27 -0.22 0.00 2.02 -0.91 0.05 112.91 115.54 1oro h THR 81 Ca 0.09 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 1oro h THR 81 Cb 0.32 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1oro h THR 81 CO 0.01 0.45 0.09 0.00 0.37 0.00 0.00 175.52 176.45 1oro h ALA 82 N 0.94 0.28 -0.21 6.16 0.00 -0.38 -0.83 119.26 125.22 1oro h ALA 82 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1oro h ALA 82 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1oro h ALA 82 CO 0.05 -0.14 -0.25 -0.39 0.00 0.00 0.00 179.25 178.53 1oro h VAL 83 N 0.21 1.26 -0.60 0.00 -1.51 -1.11 -2.18 116.25 112.31 1oro h VAL 83 Ca 0.07 -1.22 -0.10 0.00 -1.23 0.00 0.00 66.70 64.23 1oro h VAL 83 Cb 0.16 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1oro h VAL 83 CO -0.01 0.38 -0.01 0.00 -1.23 0.00 0.00 177.57 176.70 1oro h ALA 84 N 1.39 0.84 -0.45 5.19 0.00 -0.62 0.91 119.26 126.52 1oro h ALA 84 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1oro h ALA 84 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1oro h ALA 84 CO 0.05 0.67 0.12 -0.07 0.00 0.00 0.00 179.25 180.01 1oro h LEU 85 N 0.97 0.67 0.04 0.00 3.38 -0.91 0.12 115.31 119.58 1oro h LEU 85 Ca 0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1oro h LEU 85 Cb 0.57 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1oro h LEU 85 CO 0.03 0.72 -0.02 0.00 0.09 0.00 0.00 178.44 179.27 1oro h ALA 86 N 0.97 -0.06 -0.00 1.53 0.00 -0.87 0.24 119.26 121.07 1oro h ALA 86 Ca 0.14 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1oro h ALA 86 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oro h ALA 86 CO 0.00 -0.39 -0.84 0.93 0.00 0.00 0.00 179.25 178.95 1oro h GLU 87 N -0.33 0.15 -0.00 0.00 5.08 -0.81 -2.92 114.58 115.75 1oro h GLU 87 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1oro h GLU 87 Cb 0.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1oro h GLU 87 CO 0.01 0.90 -0.18 0.72 -1.00 0.00 0.00 179.01 179.45 1oro n HIS 88 N -3.66 0.00 -0.53 4.33 8.25 0.41 -4.68 115.22 119.34 1oro n HIS 88 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1oro n HIS 88 Cb 0.78 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.89 1oro n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1oro n HIS 89 N -0.49 0.00 -3.70 4.41 8.25 -0.05 -5.01 115.22 118.63 1oro n HIS 89 Ca 0.03 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1oro n HIS 89 Cb 0.14 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.29 1oro n HIS 89 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1oro n ASP 90 N -0.03 -5.56 -4.03 0.41 2.03 -0.50 -4.94 116.55 103.94 1oro n ASP 90 Ca 0.00 -0.63 -0.31 0.00 0.52 0.00 0.00 54.79 54.37 1oro n ASP 90 Cb 0.17 -4.41 -0.16 0.00 -0.72 0.00 0.00 41.12 36.00 1oro n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1oro s LEU 91 N -7.23 2.29 -0.55 -2.67 1.43 -0.83 -4.97 118.68 106.14 1oro s LEU 91 Ca 0.60 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1oro s LEU 91 Cb -0.29 -1.30 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1oro s LEU 91 CO 0.74 -0.11 0.57 -0.62 0.23 0.00 0.00 176.35 177.17 1oro s ASP 92 N 1.36 6.19 -0.03 2.29 2.15 -1.26 -2.15 116.67 125.22 1oro s ASP 92 Ca 0.00 -1.57 0.03 0.00 0.43 0.00 0.00 52.55 51.44 1oro s ASP 92 Cb -0.15 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 1oro s ASP 92 CO -0.09 -0.94 -0.11 -0.76 -0.17 0.00 0.00 175.17 173.10 1oro s LEU 93 N 2.05 2.92 0.45 -1.34 1.43 -1.26 -5.09 118.68 117.84 1oro s LEU 93 Ca 0.07 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 1oro s LEU 93 Cb -0.27 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 1oro s LEU 93 CO 0.05 0.32 1.21 -2.84 0.23 0.00 0.00 176.35 175.32 1oro s PRO 94 N -1.00 3.77 0.32 1.29 0.02 -1.26 -4.89 135.00 133.26 1oro s PRO 94 Ca 0.13 1.90 0.07 0.00 0.02 0.00 0.00 61.00 63.12 1oro s PRO 94 Cb -0.11 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.86 1oro s PRO 94 CO 0.03 -0.57 -0.04 1.52 -0.33 0.00 0.00 177.00 177.60 1oro s TYR 95 N -1.45 2.15 -0.03 6.54 1.13 -1.26 -1.34 117.35 123.09 1oro s TYR 95 Ca 0.62 -0.67 -0.29 0.00 -1.41 0.00 0.00 57.07 55.32 1oro s TYR 95 Cb -0.32 -1.30 0.09 0.00 -1.10 0.00 0.00 41.96 39.34 1oro s TYR 95 CO 0.39 0.35 0.78 0.00 -2.51 0.00 0.00 175.55 174.56 1oro s PHE 97 N -1.92 -0.31 0.32 0.00 -0.12 -0.06 -1.08 117.98 114.82 1oro s PHE 97 Ca -0.04 0.11 0.07 0.00 -0.05 0.00 0.00 56.93 57.02 1oro s PHE 97 Cb -0.00 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1oro s PHE 97 CO 0.01 -0.70 0.31 0.54 -0.05 0.00 0.00 175.22 175.32 1oro s ASN 98 N -2.54 5.42 -0.08 1.98 4.22 -1.25 -0.11 114.94 122.57 1oro s ASN 98 Ca 0.00 -0.42 -0.03 0.00 -2.14 0.00 0.00 52.86 50.28 1oro s ASN 98 Cb 0.01 -1.07 -0.03 0.00 1.28 0.00 0.00 41.25 41.43 1oro s ASN 98 CO -0.09 -0.32 0.04 -0.13 -2.04 0.00 0.00 177.10 174.55 1oro s ARG 99 N -4.00 3.07 0.07 3.55 0.52 0.59 -4.25 118.95 118.50 1oro s ARG 99 Ca 0.40 -0.37 0.20 0.00 -0.52 0.00 0.00 55.73 55.45 1oro s ARG 99 Cb -0.07 -2.87 0.84 0.00 0.52 0.00 0.00 34.95 33.37 1oro s ARG 99 CO 0.27 0.71 1.64 1.63 0.02 0.00 0.00 175.30 179.57 1oro n LYS 100 N 2.00 0.07 0.00 3.54 5.02 -1.26 -4.87 118.16 122.66 1oro n LYS 100 Ca -0.18 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1oro n LYS 100 Cb 0.54 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1oro n LYS 100 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1oro n GLU 101 N -1.73 0.00 -1.13 1.97 0.28 -1.26 -5.19 120.64 113.58 1oro n GLU 101 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.69 1oro n GLU 101 Cb 0.24 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.12 1oro n GLU 101 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1oro n GLY 109 N 0.00 -2.94 1.78 -1.84 0.00 -1.26 -5.30 105.19 95.64 1oro n GLY 109 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1oro n GLY 109 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oro n ASN 110 N 2.28 3.80 -4.33 1.61 6.94 -1.26 -4.96 115.26 119.35 1oro n ASN 110 Ca 0.07 -3.48 -0.26 0.00 -0.02 0.00 0.00 54.58 50.89 1oro n ASN 110 Cb 0.43 -0.74 -0.13 0.00 -2.36 0.00 0.00 39.78 36.98 1oro n ASN 110 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1oro s LEU 111 N -3.15 2.29 -0.02 -4.53 1.43 -1.26 -0.30 118.68 113.13 1oro s LEU 111 Ca 0.52 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1oro s LEU 111 Cb 0.44 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.63 1oro s LEU 111 CO 0.09 0.13 -0.03 -0.69 0.23 0.00 0.00 176.35 176.08 1oro s VAL 112 N -1.07 0.29 0.00 -1.59 1.01 0.84 -4.92 120.40 114.96 1oro s VAL 112 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1oro s VAL 112 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1oro s VAL 112 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1oro n GLY 113 N 3.58 -0.03 3.65 4.51 0.00 -1.26 -0.88 105.19 114.75 1oro n GLY 113 Ca -0.20 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 1oro n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oro s SER 114 N -4.00 2.12 0.16 1.61 0.01 -0.41 -4.96 113.70 108.24 1oro s SER 114 Ca 0.00 1.07 -0.31 0.00 1.31 0.00 0.00 55.95 58.02 1oro s SER 114 Cb 0.00 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.48 1oro s SER 114 CO 0.00 -3.43 1.44 0.00 0.41 0.00 0.00 173.24 171.66 1oro s ALA 115 N -2.95 3.64 -1.08 1.44 0.00 -1.26 -4.81 121.76 116.74 1oro s ALA 115 Ca 0.67 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 1oro s ALA 115 Cb -0.17 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1oro s ALA 115 CO 0.58 -0.67 1.88 -1.17 0.00 0.00 0.00 175.76 176.38 1oro s LEU 116 N 0.71 3.20 0.04 0.00 2.96 -1.26 -4.89 118.68 119.44 1oro s LEU 116 Ca 0.64 -1.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1oro s LEU 116 Cb -0.40 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 1oro s LEU 116 CO 0.34 -2.66 -0.08 -1.10 -1.32 0.00 0.00 176.35 171.53 1oro s GLN 117 N 6.35 0.53 1.58 1.98 -0.21 -1.26 -4.48 119.66 124.15 1oro s GLN 117 Ca 0.66 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1oro s GLN 117 Cb -0.02 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.69 1oro s GLN 117 CO 0.06 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 1oro n GLY 118 N 1.44 -1.08 3.54 3.09 0.00 -1.26 -4.68 105.19 106.24 1oro n GLY 118 Ca -0.23 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1oro n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oro s ARG 119 N 0.00 3.43 -0.03 1.61 0.52 -1.26 -1.12 118.95 122.10 1oro s ARG 119 Ca 0.00 -0.04 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 1oro s ARG 119 Cb 0.00 -3.98 -0.05 0.00 0.52 0.00 0.00 34.95 31.44 1oro s ARG 119 CO 0.00 -1.34 0.61 0.08 0.02 0.00 0.00 175.30 174.67 1oro s VAL 120 N 3.84 4.98 -0.44 3.52 1.01 0.13 0.41 120.40 133.85 1oro s VAL 120 Ca 0.34 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 1oro s VAL 120 Cb -0.11 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.41 1oro s VAL 120 CO 0.23 0.36 0.29 -0.32 0.00 0.00 0.00 175.10 175.66 1oro s MET 121 N 0.17 2.57 -0.02 2.72 1.75 0.05 0.03 119.30 126.57 1oro s MET 121 Ca 0.32 -1.56 -0.30 0.00 -1.25 0.00 0.00 55.69 52.90 1oro s MET 121 Cb -0.18 -3.84 -0.03 0.00 2.84 0.00 0.00 34.83 33.63 1oro s MET 121 CO 0.17 -1.04 1.07 -1.17 -0.65 0.00 0.00 175.02 173.40 1oro s LEU 122 N 1.41 4.33 -0.10 4.11 0.20 -0.72 -1.34 118.68 126.57 1oro s LEU 122 Ca 0.04 1.73 0.00 0.00 0.69 0.00 0.00 54.13 56.59 1oro s LEU 122 Cb -0.24 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 41.93 1oro s LEU 122 CO 0.01 -0.39 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.89 1oro s VAL 123 N 1.42 3.40 0.36 1.68 1.01 0.17 -0.14 120.40 128.30 1oro s VAL 123 Ca 0.53 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1oro s VAL 123 Cb -0.23 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1oro s VAL 123 CO 0.25 0.55 0.61 -0.62 0.00 0.00 0.00 175.10 175.90 1oro s ASP 124 N -0.21 0.50 -0.14 3.32 -1.08 -0.04 -4.16 116.67 114.85 1oro s ASP 124 Ca 0.02 -1.32 -0.13 0.00 -0.52 0.00 0.00 52.55 50.60 1oro s ASP 124 Cb -0.13 0.74 -0.11 0.00 -1.46 0.00 0.00 42.92 41.97 1oro s ASP 124 CO 0.03 -1.46 0.15 -2.24 0.52 0.00 0.00 175.17 172.17 1oro h ASP 125 N 2.06 0.00 -5.09 -0.34 2.03 -1.89 -3.35 116.42 109.84 1oro h ASP 125 Ca -0.30 -0.32 -0.06 0.00 -0.73 0.00 0.00 57.03 55.62 1oro h ASP 125 Cb 1.24 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.61 1oro h ASP 125 CO 0.39 0.90 -0.15 0.68 -1.03 0.00 0.00 179.24 180.03 1oro s VAL 126 N -2.07 0.09 -0.40 4.15 -7.23 -1.26 -0.56 120.40 113.12 1oro s VAL 126 Ca -0.15 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1oro s VAL 126 Cb 0.01 -1.19 0.10 0.00 0.56 0.00 0.00 36.38 35.87 1oro s VAL 126 CO 0.34 -0.39 0.19 -0.63 -0.31 0.00 0.00 175.10 174.29 1oro s ILE 127 N -3.71 3.31 -0.07 -0.62 -1.09 -1.26 -4.98 121.20 112.78 1oro s ILE 127 Ca 0.03 -1.95 -0.03 0.00 -2.23 0.00 0.00 60.65 56.47 1oro s ILE 127 Cb 0.02 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1oro s ILE 127 CO -0.11 -0.62 -0.05 0.74 -1.23 0.00 0.00 174.94 173.67 1oro h THR 128 N 6.36 0.00 -0.00 2.92 2.02 -1.98 -3.44 112.91 118.79 1oro h THR 128 Ca -0.14 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1oro h THR 128 Cb 1.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1oro h THR 128 CO 0.69 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 176.42 1oro n ALA 129 N -2.77 2.51 -0.42 6.16 0.00 -1.26 -4.71 120.51 120.02 1oro n ALA 129 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1oro n ALA 129 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1oro n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oro n GLY 130 N 0.95 1.42 0.42 0.00 0.00 -1.26 -4.95 105.19 101.77 1oro n GLY 130 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1oro n GLY 130 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1oro h THR 131 N 0.00 0.00 -0.78 2.61 2.02 -1.99 0.23 112.91 115.00 1oro h THR 131 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1oro h THR 131 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1oro h THR 131 CO 0.00 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.33 1oro h ALA 132 N -0.18 1.09 -0.39 6.16 0.00 -1.99 -0.40 119.26 123.56 1oro h ALA 132 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1oro h ALA 132 Cb 0.55 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1oro h ALA 132 CO -0.53 0.09 0.14 0.82 0.00 0.00 0.00 179.25 179.77 1oro h ILE 133 N 0.77 0.88 -0.10 0.00 1.08 -1.68 0.27 117.51 118.73 1oro h ILE 133 Ca 0.37 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.71 1oro h ILE 133 Cb 0.30 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1oro h ILE 133 CO -0.23 0.05 -0.08 0.03 -0.69 0.00 0.00 178.15 177.24 1oro h ARG 134 N 0.29 0.15 0.07 2.37 3.08 0.28 -0.98 114.38 119.64 1oro h ARG 134 Ca 0.18 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 1oro h ARG 134 Cb 0.16 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.20 1oro h ARG 134 CO -0.19 0.24 -0.67 0.93 -1.07 0.00 0.00 179.97 179.21 1oro h GLU 135 N 0.14 0.33 0.00 0.04 5.08 0.21 -3.07 114.58 117.31 1oro h GLU 135 Ca 0.03 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1oro h GLU 135 Cb 0.24 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1oro h GLU 135 CO 0.01 1.16 -0.14 0.77 -1.00 0.00 0.00 179.01 179.81 1oro h SER 136 N -0.28 0.00 -0.48 1.42 0.02 -0.29 -2.44 113.55 111.51 1oro h SER 136 Ca -0.10 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1oro h SER 136 Cb 1.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 1oro h SER 136 CO 0.13 0.14 -0.22 -0.03 -1.14 0.00 0.00 176.83 175.71 1oro h MET 137 N 0.00 1.00 -0.04 3.45 -1.53 -1.19 -0.83 114.93 115.80 1oro h MET 137 Ca -0.00 -0.43 -0.02 0.00 -3.44 0.00 0.00 59.70 55.82 1oro h MET 137 Cb 0.25 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.26 1oro h MET 137 CO 0.02 1.10 -0.06 1.05 0.14 0.00 0.00 176.91 179.16 1oro h GLU 138 N 0.86 0.05 -0.00 0.39 -0.00 -1.34 0.21 114.58 114.75 1oro h GLU 138 Ca 0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.44 1oro h GLU 138 Cb 0.80 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.54 1oro h GLU 138 CO 0.07 0.12 -0.08 0.82 -0.00 0.00 0.00 179.01 179.94 1oro h ILE 139 N 0.05 1.58 -0.83 -1.06 2.04 -1.42 -1.12 117.51 116.77 1oro h ILE 139 Ca 0.01 -1.82 0.03 0.00 1.00 0.00 0.00 64.86 64.09 1oro h ILE 139 Cb 0.14 2.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.95 1oro h ILE 139 CO 0.01 0.48 0.53 0.40 0.00 0.00 0.00 178.15 179.57 1oro h ILE 140 N -0.66 1.13 -0.21 -0.67 2.04 -0.66 -2.45 117.51 116.02 1oro h ILE 140 Ca -0.01 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1oro h ILE 140 Cb 0.83 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1oro h ILE 140 CO 0.02 0.19 -0.14 1.56 0.00 0.00 0.00 178.15 179.77 1oro h GLN 141 N 1.03 0.47 -0.88 2.37 4.20 -1.04 -1.28 115.11 119.98 1oro h GLN 141 Ca 0.33 -0.22 0.23 0.00 0.06 0.00 0.00 58.65 59.04 1oro h GLN 141 Cb 0.02 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1oro h GLN 141 CO -0.12 0.78 0.60 0.00 -0.67 0.00 0.00 178.83 179.42 1oro h ALA 142 N 0.69 2.48 -0.52 3.87 0.00 -0.76 0.20 119.26 125.22 1oro h ALA 142 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oro h ALA 142 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1oro h ALA 142 CO 0.04 -0.75 0.00 0.09 0.00 0.00 0.00 179.25 178.63 1oro n ASN 143 N -4.41 3.22 -0.43 0.00 3.02 -0.96 -4.91 115.26 110.78 1oro n ASN 143 Ca 0.19 -2.14 -0.06 0.00 -0.03 0.00 0.00 54.58 52.54 1oro n ASN 143 Cb 0.81 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1oro n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oro n GLY 144 N 1.17 0.76 3.95 7.41 0.00 0.70 -4.84 105.19 114.34 1oro n GLY 144 Ca 0.19 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1oro n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oro s ALA 145 N -2.00 3.73 0.16 4.61 0.00 -0.50 -4.71 121.76 123.05 1oro s ALA 145 Ca 0.00 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.10 1oro s ALA 145 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1oro s ALA 145 CO 0.00 -0.18 -0.23 0.95 0.00 0.00 0.00 175.76 176.30 1oro s THR 146 N -2.43 2.46 -0.38 0.00 -4.23 -0.27 -4.14 115.64 106.65 1oro s THR 146 Ca 0.44 -1.83 -0.23 0.00 -1.18 0.00 0.00 61.69 58.89 1oro s THR 146 Cb -0.10 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1oro s THR 146 CO 0.37 -0.01 0.79 -0.22 -0.54 0.00 0.00 174.62 175.01 1oro s LEU 147 N -2.40 4.14 0.06 4.79 2.96 -1.26 0.17 118.68 127.15 1oro s LEU 147 Ca 0.18 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1oro s LEU 147 Cb -0.09 -3.02 -0.30 0.00 0.50 0.00 0.00 46.19 43.28 1oro s LEU 147 CO 0.09 -0.78 1.10 0.00 -1.32 0.00 0.00 176.35 175.45 1oro h ALA 148 N 8.59 0.02 0.00 5.97 0.00 -0.69 -3.46 119.26 129.69 1oro h ALA 148 Ca -0.25 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1oro h ALA 148 Cb 1.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1oro h ALA 148 CO 0.92 0.85 0.00 0.41 0.00 0.00 0.00 179.25 181.43 1oro n GLY 149 N 1.55 -0.72 3.22 0.00 0.00 -1.19 -4.21 105.19 103.82 1oro n GLY 149 Ca -0.11 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1oro n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oro s VAL 150 N -2.00 1.59 -0.14 1.61 1.01 -0.69 -1.75 120.40 120.03 1oro s VAL 150 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1oro s VAL 150 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1oro s VAL 150 CO 0.00 0.33 -0.13 -0.22 0.00 0.00 0.00 175.10 175.08 1oro s LEU 151 N -0.78 1.61 0.34 3.92 2.96 0.81 0.29 118.68 127.82 1oro s LEU 151 Ca 0.07 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1oro s LEU 151 Cb -0.08 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 1oro s LEU 151 CO 0.00 -0.06 0.08 0.27 -1.32 0.00 0.00 176.35 175.33 1oro s ILE 152 N 1.45 0.98 -0.07 6.68 -4.36 0.03 -0.86 121.20 125.05 1oro s ILE 152 Ca 0.03 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.33 1oro s ILE 152 Cb -0.13 -2.67 -0.07 0.00 1.25 0.00 0.00 42.46 40.85 1oro s ILE 152 CO -0.09 0.00 0.38 0.28 0.24 0.00 0.00 174.94 175.75 1oro h SER 153 N 2.06 -0.18 -3.99 4.36 0.02 -0.96 -2.18 113.55 112.68 1oro h SER 153 Ca -0.39 -0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 59.99 1oro h SER 153 Cb 1.25 0.05 -0.30 0.00 0.14 0.00 0.00 62.40 63.54 1oro h SER 153 CO 0.66 0.34 -0.80 -0.22 -1.14 0.00 0.00 176.83 175.66 1oro s LEU 154 N -8.78 1.92 -0.39 5.07 2.96 -1.25 -1.57 118.68 116.64 1oro s LEU 154 Ca -0.06 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1oro s LEU 154 Cb 0.00 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 46.09 1oro s LEU 154 CO 0.19 0.12 0.21 -0.62 -1.32 0.00 0.00 176.35 174.92 1oro s ASP 155 N -0.06 5.58 0.53 3.68 2.15 -0.15 -4.66 116.67 123.74 1oro s ASP 155 Ca 0.00 -1.29 0.35 0.00 0.43 0.00 0.00 52.55 52.04 1oro s ASP 155 Cb -0.07 -1.96 1.76 0.00 -0.30 0.00 0.00 42.92 42.34 1oro s ASP 155 CO 0.00 -0.45 2.07 0.03 -0.17 0.00 0.00 175.17 176.66 1oro h ARG 156 N 8.36 0.00 -6.38 4.34 3.08 -1.93 -2.09 114.38 119.76 1oro h ARG 156 Ca -0.23 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.34 1oro h ARG 156 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1oro h ARG 156 CO 0.69 0.00 -0.87 1.04 -1.07 0.00 0.00 179.97 179.77 1oro n GLN 157 N -2.85 -3.80 -4.18 0.04 6.02 -1.26 -4.49 117.38 106.86 1oro n GLN 157 Ca -0.01 0.47 -0.17 0.00 -0.01 0.00 0.00 57.00 57.28 1oro n GLN 157 Cb 0.15 -4.75 -0.12 0.00 1.02 0.00 0.00 30.24 26.54 1oro n GLN 157 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1oro s GLU 158 N -6.40 0.73 0.54 -1.09 -1.05 -1.25 0.10 118.70 110.28 1oro s GLU 158 Ca 0.04 -0.80 -0.20 0.00 -0.15 0.00 0.00 54.97 53.86 1oro s GLU 158 Cb -0.02 -0.67 -0.08 0.00 -0.44 0.00 0.00 34.13 32.93 1oro s GLU 158 CO 0.87 0.15 0.74 0.54 0.95 0.00 0.00 175.26 178.51 1oro n ARG 159 N 1.59 0.77 0.00 -4.83 1.74 0.63 -4.28 116.66 112.29 1oro n ARG 159 Ca -0.20 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1oro n ARG 159 Cb 0.55 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1oro n ARG 159 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oro n GLY 160 N 1.53 1.62 0.23 -0.13 0.00 -0.81 -4.84 105.19 102.78 1oro n GLY 160 Ca 0.12 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.58 1oro n GLY 160 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oro h ARG 161 N 0.00 0.00 0.00 1.61 3.08 -1.96 -3.45 114.38 113.65 1oro h ARG 161 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oro h ARG 161 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1oro h ARG 161 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1oro n GLY 162 N 0.33 3.87 0.15 0.04 0.00 -1.26 -5.06 105.19 103.26 1oro n GLY 162 Ca 0.02 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1oro n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1oro h GLU 163 N 0.00 0.43 -6.25 1.61 4.81 -1.99 -3.47 114.58 109.72 1oro h GLU 163 Ca 0.00 -0.42 -0.47 0.00 -0.13 0.00 0.00 59.36 58.33 1oro h GLU 163 Cb 0.00 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1oro h GLU 163 CO 0.00 1.08 -0.40 0.96 -0.73 0.00 0.00 179.01 179.92 1oro s ILE 164 N -3.34 3.60 0.61 2.32 -4.36 -1.26 -4.74 121.20 114.03 1oro s ILE 164 Ca -0.13 -1.23 -0.11 0.00 -0.26 0.00 0.00 60.65 58.92 1oro s ILE 164 Cb 0.04 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 1oro s ILE 164 CO 0.82 -0.15 1.02 -0.94 0.24 0.00 0.00 174.94 175.93 1oro s SER 165 N -4.08 6.21 0.22 4.36 1.04 -1.26 -1.93 113.70 118.26 1oro s SER 165 Ca 0.43 1.38 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 1oro s SER 165 Cb -0.07 -2.44 0.32 0.00 0.10 0.00 0.00 66.02 63.94 1oro s SER 165 CO 0.28 -0.87 1.74 0.00 0.98 0.00 0.00 173.24 175.38 1oro h ALA 166 N -0.29 0.86 -0.72 5.32 0.00 -1.84 0.13 119.26 122.71 1oro h ALA 166 Ca -0.44 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1oro h ALA 166 Cb 1.19 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1oro h ALA 166 CO 0.62 -0.18 0.44 0.82 0.00 0.00 0.00 179.25 180.95 1oro h ILE 167 N 0.43 1.06 -0.23 0.00 5.03 -1.92 -1.22 117.51 120.66 1oro h ILE 167 Ca 0.34 -0.29 -0.05 0.00 -0.12 0.00 0.00 64.86 64.74 1oro h ILE 167 Cb 0.43 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.35 1oro h ILE 167 CO -0.33 0.15 -0.07 1.56 -0.68 0.00 0.00 178.15 178.78 1oro h GLN 168 N 0.84 0.35 -0.10 2.37 4.20 -1.20 -1.64 115.11 119.93 1oro h GLN 168 Ca 0.30 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1oro h GLN 168 Cb 0.09 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1oro h GLN 168 CO -0.14 0.44 -0.06 0.93 -0.67 0.00 0.00 178.83 179.33 1oro h GLU 169 N 0.34 0.21 -0.30 1.46 5.08 0.03 -2.23 114.58 119.17 1oro h GLU 169 Ca 0.07 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1oro h GLU 169 Cb 0.34 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1oro h GLU 169 CO 0.02 0.59 0.01 0.28 -1.00 0.00 0.00 179.01 178.91 1oro h VAL 170 N -0.17 0.79 -0.55 3.13 2.07 -0.92 -0.32 116.25 120.28 1oro h VAL 170 Ca 0.02 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1oro h VAL 170 Cb 0.54 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1oro h VAL 170 CO 0.02 0.02 0.17 -0.33 0.02 0.00 0.00 177.57 177.47 1oro h GLU 171 N 0.10 0.81 0.67 1.57 5.08 -1.33 -1.56 114.58 119.93 1oro h GLU 171 Ca 0.14 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1oro h GLU 171 Cb 0.19 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1oro h GLU 171 CO -0.23 0.71 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.07 1oro h ARG 172 N 0.79 -0.87 0.00 2.33 2.43 -0.76 -0.67 114.38 117.63 1oro h ARG 172 Ca 0.18 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1oro h ARG 172 Cb 0.23 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1oro h ARG 172 CO -0.01 -0.58 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.42 1oro h ASP 173 N -1.14 0.00 0.00 -3.80 3.32 -1.04 -3.10 116.42 110.66 1oro h ASP 173 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1oro h ASP 173 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1oro h ASP 173 CO 0.15 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 1oro n TYR 174 N -3.42 0.00 -4.17 4.55 4.01 -0.59 -5.01 117.16 112.53 1oro n TYR 174 Ca -0.03 -0.22 -0.29 0.00 -0.16 0.00 0.00 57.90 57.20 1oro n TYR 174 Cb 0.09 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 1oro n TYR 174 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1oro n ASN 175 N -0.22 0.05 -4.34 7.72 5.15 -0.26 -4.96 115.26 118.40 1oro n ASN 175 Ca 0.00 -1.15 -0.18 0.00 -0.60 0.00 0.00 54.58 52.66 1oro n ASN 175 Cb 0.13 -2.28 -0.10 0.00 -0.53 0.00 0.00 39.78 36.99 1oro n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oro s LYS 177 N -3.94 3.31 -0.26 0.00 1.02 -1.26 -4.44 119.74 114.17 1oro s LYS 177 Ca 0.33 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.93 1oro s LYS 177 Cb 0.07 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1oro s LYS 177 CO 0.12 0.67 0.17 0.08 -0.92 0.00 0.00 175.35 175.47 1oro s VAL 178 N -0.76 5.21 -0.09 3.17 1.01 -1.26 -1.70 120.40 125.98 1oro s VAL 178 Ca 0.12 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1oro s VAL 178 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1oro s VAL 178 CO 0.03 0.29 0.15 -0.63 0.00 0.00 0.00 175.10 174.94 1oro s ILE 179 N 1.50 5.46 0.03 2.22 1.01 0.14 -4.94 121.20 126.62 1oro s ILE 179 Ca 0.07 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1oro s ILE 179 Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1oro s ILE 179 CO 0.08 0.54 -0.07 -0.94 0.00 0.00 0.00 174.94 174.55 1oro s SER 180 N -1.28 0.76 0.07 3.58 1.04 -1.26 -0.79 113.70 115.83 1oro s SER 180 Ca 0.18 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 1oro s SER 180 Cb -0.12 0.01 -0.10 0.00 0.10 0.00 0.00 66.02 65.91 1oro s SER 180 CO 0.08 -0.14 1.44 0.40 0.98 0.00 0.00 173.24 176.01 1oro h ILE 181 N 4.64 1.30 -4.23 -1.02 2.04 -0.76 -3.46 117.51 116.01 1oro h ILE 181 Ca -0.34 -1.16 -0.15 0.00 1.00 0.00 0.00 64.86 64.22 1oro h ILE 181 Cb 1.20 1.56 -0.15 0.00 -0.74 0.00 0.00 36.82 38.69 1oro h ILE 181 CO 0.43 0.36 -0.67 0.27 0.00 0.00 0.00 178.15 178.54 1oro s ILE 182 N -4.63 0.25 0.38 -0.67 -4.36 -0.61 -4.84 121.20 106.73 1oro s ILE 182 Ca -0.14 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 1oro s ILE 182 Cb 0.07 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 1oro s ILE 182 CO 0.77 -0.84 0.09 0.42 0.24 0.00 0.00 174.94 175.62 1oro s THR 183 N -3.92 0.91 0.31 8.37 -4.23 -1.26 -0.98 115.64 114.85 1oro s THR 183 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1oro s THR 183 Cb 0.08 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.66 1oro s THR 183 CO -0.06 0.00 1.93 0.25 -0.54 0.00 0.00 174.62 176.20 1oro h LEU 184 N 1.89 0.89 -1.35 4.79 5.85 -1.60 -1.03 115.31 124.76 1oro h LEU 184 Ca -0.39 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1oro h LEU 184 Cb 1.26 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1oro h LEU 184 CO 0.64 0.60 0.49 0.11 -0.34 0.00 0.00 178.44 179.93 1oro h LYS 185 N 1.03 0.77 -0.49 1.25 1.57 -1.93 -1.57 116.57 117.19 1oro h LYS 185 Ca 0.36 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1oro h LYS 185 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1oro h LYS 185 CO -0.12 0.51 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.64 1oro h ASP 186 N 0.79 1.01 -0.57 0.86 3.32 -1.59 -0.99 116.42 119.24 1oro h ASP 186 Ca 0.32 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1oro h ASP 186 Cb 0.23 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1oro h ASP 186 CO -0.10 1.16 0.31 -0.07 -1.72 0.00 0.00 179.24 178.81 1oro h LEU 187 N 0.86 0.73 -0.15 1.55 3.38 -1.09 -1.10 115.31 119.49 1oro h LEU 187 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1oro h LEU 187 Cb 0.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1oro h LEU 187 CO 0.06 0.62 0.06 0.40 0.09 0.00 0.00 178.44 179.67 1oro h ILE 188 N 0.78 1.15 -0.89 1.22 2.04 -1.17 -0.39 117.51 120.25 1oro h ILE 188 Ca 0.20 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.66 1oro h ILE 188 Cb 0.06 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1oro h ILE 188 CO -0.03 0.14 0.58 0.00 0.00 0.00 0.00 178.15 178.84 1oro h ALA 189 N 0.90 1.54 -0.09 1.87 0.00 -0.96 -0.33 119.26 122.19 1oro h ALA 189 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1oro h ALA 189 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1oro h ALA 189 CO -0.00 0.33 -0.02 -0.92 0.00 0.00 0.00 179.25 178.63 1oro h TYR 190 N 0.99 0.19 -0.84 0.00 3.20 -0.84 -3.18 116.97 116.49 1oro h TYR 190 Ca 0.38 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1oro h TYR 190 Cb 0.21 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1oro h TYR 190 CO -0.00 0.48 0.56 -0.07 -1.64 0.00 0.00 178.16 177.49 1oro h LEU 191 N -0.16 0.96 -0.27 2.82 3.38 -0.46 -2.15 115.31 119.44 1oro h LEU 191 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oro h LEU 191 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1oro h LEU 191 CO 0.01 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 1oro n GLU 192 N -4.41 0.03 -0.03 1.13 1.02 -0.19 -1.03 120.64 117.16 1oro n GLU 192 Ca 0.10 0.50 -0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1oro n GLU 192 Cb 0.03 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.72 1oro n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1oro n GLU 193 N -1.65 0.66 -3.10 3.49 1.02 -0.81 -4.82 120.64 115.43 1oro n GLU 193 Ca 0.00 0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.72 1oro n GLU 193 Cb 0.03 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.78 1oro n GLU 193 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1oro s LYS 194 N -2.94 3.13 0.32 3.49 -0.14 -0.19 -4.93 119.74 118.46 1oro s LYS 194 Ca -0.07 -0.92 0.02 0.00 -1.36 0.00 0.00 55.97 53.64 1oro s LYS 194 Cb 0.09 -4.14 0.57 0.00 -1.68 0.00 0.00 37.83 32.68 1oro s LYS 194 CO 0.85 -1.36 1.93 -1.00 -0.76 0.00 0.00 175.35 175.01 1oro h PRO 195 N 9.10 0.94 0.00 -1.68 0.13 -1.88 -0.49 132.00 138.12 1oro h PRO 195 Ca -0.28 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1oro h PRO 195 Cb 1.09 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1oro h PRO 195 CO 1.02 0.62 0.00 -0.85 -0.23 0.00 0.00 178.00 178.56 1oro n GLU 196 N -4.48 0.14 -0.13 0.86 0.00 -1.26 -2.26 120.64 113.51 1oro n GLU 196 Ca 0.12 0.18 0.12 0.00 0.00 0.00 0.00 57.16 57.58 1oro n GLU 196 Cb 0.18 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.35 1oro n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1oro n MET 197 N -1.36 2.36 -0.34 3.44 2.81 -0.19 -4.66 117.12 119.17 1oro n MET 197 Ca 0.06 -2.04 0.15 0.00 -1.81 0.00 0.00 57.70 54.06 1oro n MET 197 Cb 0.14 -1.49 0.29 0.00 -0.71 0.00 0.00 33.22 31.45 1oro n MET 197 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oro n ALA 198 N 1.29 0.50 -0.21 3.04 0.00 -0.96 -0.45 120.51 123.73 1oro n ALA 198 Ca 0.18 1.05 -0.06 0.00 0.00 0.00 0.00 53.44 54.60 1oro n ALA 198 Cb 0.57 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 19.28 1oro n ALA 198 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1oro h GLU 199 N 0.00 0.82 -0.57 0.00 5.08 -1.87 -1.50 114.58 116.53 1oro h GLU 199 Ca 0.60 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1oro h GLU 199 Cb 1.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1oro h GLU 199 CO -0.92 0.60 -0.07 0.45 -1.00 0.00 0.00 179.01 178.07 1oro h HIS 200 N 0.81 1.17 -0.61 4.33 3.86 -1.11 -1.32 115.15 122.28 1oro h HIS 200 Ca 0.21 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1oro h HIS 200 Cb -0.00 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 1oro h HIS 200 CO -0.02 1.06 0.39 1.25 0.86 0.00 0.00 177.93 181.47 1oro h LEU 201 N 0.95 0.65 -0.28 2.43 5.85 -0.91 0.16 115.31 124.16 1oro h LEU 201 Ca 0.15 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1oro h LEU 201 Cb 0.64 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1oro h LEU 201 CO 0.04 0.46 0.10 0.00 -0.34 0.00 0.00 178.44 178.70 1oro h ALA 202 N 1.25 0.36 -0.40 1.25 0.00 -1.03 -0.76 119.26 119.93 1oro h ALA 202 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1oro h ALA 202 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1oro h ALA 202 CO -0.08 -0.02 0.20 0.00 0.00 0.00 0.00 179.25 179.35 1oro h ALA 203 N 0.94 0.52 0.04 0.00 0.00 -0.83 -0.87 119.26 119.06 1oro h ALA 203 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oro h ALA 203 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1oro h ALA 203 CO -0.01 0.07 -0.02 0.28 0.00 0.00 0.00 179.25 179.57 1oro h VAL 204 N 0.52 1.11 -0.64 0.00 2.07 -0.59 -0.36 116.25 118.35 1oro h VAL 204 Ca 0.14 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1oro h VAL 204 Cb 0.10 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1oro h VAL 204 CO -0.02 0.12 0.43 0.11 0.02 0.00 0.00 177.57 178.23 1oro h LYS 205 N -0.27 0.84 0.07 1.57 1.57 -1.11 0.90 116.57 120.15 1oro h LYS 205 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1oro h LYS 205 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1oro h LYS 205 CO 0.01 0.56 -0.03 0.00 -0.57 0.00 0.00 179.45 179.41 1oro h ALA 206 N 1.60 -0.09 -0.66 3.86 0.00 -0.90 -2.20 119.26 120.87 1oro h ALA 206 Ca 0.24 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1oro h ALA 206 Cb -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1oro h ALA 206 CO -0.05 -0.47 0.31 -0.92 0.00 0.00 0.00 179.25 178.12 1oro h TYR 207 N -0.26 0.56 -0.84 0.00 3.20 -0.22 -1.43 116.97 117.99 1oro h TYR 207 Ca -0.01 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1oro h TYR 207 Cb 0.22 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1oro h TYR 207 CO -0.02 0.21 0.54 -0.09 -1.64 0.00 0.00 178.16 177.16 1oro h ARG 208 N 0.55 1.03 -0.58 1.82 2.43 -0.67 -0.50 114.38 118.46 1oro h ARG 208 Ca 0.32 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1oro h ARG 208 Cb 0.32 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1oro h ARG 208 CO -0.25 0.68 0.31 0.93 -1.51 0.00 0.00 179.97 180.12 1oro h GLU 209 N 1.06 0.80 0.16 0.20 5.08 -0.63 0.60 114.58 121.85 1oro h GLU 209 Ca 0.33 -0.08 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1oro h GLU 209 Cb -0.00 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1oro h GLU 209 CO -0.11 0.60 -1.45 1.49 -1.00 0.00 0.00 179.01 178.53 1oro h GLU 210 N 0.81 0.34 0.00 2.33 4.81 -1.03 -3.40 114.58 118.44 1oro h GLU 210 Ca 0.21 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1oro h GLU 210 Cb 0.04 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1oro h GLU 210 CO -0.03 1.25 -0.03 1.19 -0.73 0.00 0.00 179.01 180.66 1oro n PHE 211 N -3.56 0.00 -0.90 0.92 3.72 -0.27 -5.05 117.46 112.33 1oro n PHE 211 Ca -0.15 -0.34 -0.30 0.00 -0.05 0.00 0.00 57.45 56.61 1oro n PHE 211 Cb 1.06 -0.04 0.17 0.00 -0.94 0.00 0.00 39.48 39.72 1oro n PHE 211 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1oro s GLY 212 N -0.82 1.63 0.00 1.37 0.00 0.21 -0.27 107.32 109.45 1oro s GLY 212 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1oro s GLY 212 CO 0.00 0.68 0.00 -0.62 0.00 0.00 0.00 173.10 173.17