#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr s SER 2 N 0.00 -0.10 0.00 3.54 1.04 -1.26 -5.19 113.70 111.73 1ujr s SER 2 Ca 0.00 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1ujr s SER 2 Cb 0.00 1.05 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1ujr s SER 2 CO 0.00 -0.03 0.00 -0.24 0.98 0.00 0.00 173.24 173.95 1ujr n SER 3 N 3.22 0.00 0.00 7.02 2.88 -1.26 -5.19 113.62 120.29 1ujr n SER 3 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ujr n SER 3 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1ujr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujr n GLY 4 N -0.02 0.93 0.00 0.46 0.00 -1.26 -5.19 105.19 100.11 1ujr n GLY 4 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ujr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujr n SER 5 N 0.00 0.00 -3.09 1.61 2.88 -1.26 -5.13 113.62 108.63 1ujr n SER 5 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1ujr n SER 5 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ujr n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujr s SER 6 N 0.00 -1.15 0.00 -3.46 1.04 -1.26 -5.16 113.70 103.72 1ujr s SER 6 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1ujr s SER 6 Cb 0.00 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.67 1ujr s SER 6 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1ujr n GLY 7 N 4.57 1.87 3.07 7.32 0.00 -1.26 -5.13 105.19 115.64 1ujr n GLY 7 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 45.04 1ujr n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujr s PHE 8 N -2.00 -1.13 -0.39 1.61 -0.71 -1.26 -5.06 117.98 109.05 1ujr s PHE 8 Ca 0.00 0.42 0.10 0.00 -1.04 0.00 0.00 56.93 56.41 1ujr s PHE 8 Cb 0.00 0.20 0.33 0.00 -1.21 0.00 0.00 43.02 42.34 1ujr s PHE 8 CO 0.00 -0.71 0.78 1.28 -1.34 0.00 0.00 175.22 175.24 1ujr n LEU 9 N 4.67 0.11 -3.87 -1.99 4.77 -1.26 -5.07 117.00 114.35 1ujr n LEU 9 Ca 0.08 -4.71 -0.27 0.00 -0.03 0.00 0.00 56.01 51.08 1ujr n LEU 9 Cb 0.58 0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 42.26 1ujr n LEU 9 CO -0.08 2.23 -0.42 -0.62 -1.33 0.00 0.00 177.39 177.16 1ujr s ASP 10 N -2.09 2.44 -0.06 -1.43 -1.08 -1.26 -5.13 116.67 108.07 1ujr s ASP 10 Ca 0.36 -0.47 0.03 0.00 -0.52 0.00 0.00 52.55 51.95 1ujr s ASP 10 Cb 0.32 -0.81 -0.03 0.00 -1.46 0.00 0.00 42.92 40.95 1ujr s ASP 10 CO -0.08 -0.17 -0.13 -0.54 0.52 0.00 0.00 175.17 174.77 1ujr s LYS 11 N 1.72 2.61 0.98 4.34 1.02 -1.26 -5.13 119.74 124.03 1ujr s LYS 11 Ca 0.03 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.17 1ujr s LYS 11 Cb -0.14 -2.42 0.24 0.00 -0.52 0.00 0.00 37.83 34.98 1ujr s LYS 11 CO -0.08 0.59 1.08 -0.35 -0.92 0.00 0.00 175.35 175.67 1ujr n PRO 12 N 2.42 -2.02 -3.33 -1.68 -0.04 -1.26 -5.10 135.00 123.99 1ujr n PRO 12 Ca -0.17 -1.70 -0.09 0.00 -0.04 0.00 0.00 63.50 61.51 1ujr n PRO 12 Cb 0.52 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1ujr n PRO 12 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ujr n THR 13 N -4.11 0.00 -3.87 0.52 5.66 -1.26 -5.19 114.28 106.03 1ujr n THR 13 Ca 0.14 -0.98 0.01 0.00 -3.05 0.00 0.00 64.05 60.17 1ujr n THR 13 Cb 0.52 0.83 0.01 0.00 -1.55 0.00 0.00 70.33 70.14 1ujr n THR 13 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1ujr s LEU 14 N 0.00 -0.02 1.22 1.09 2.34 -1.26 -5.17 118.68 116.89 1ujr s LEU 14 Ca 0.16 -0.30 -0.16 0.00 0.06 0.00 0.00 54.13 53.88 1ujr s LEU 14 Cb -0.03 1.54 0.30 0.00 -0.56 0.00 0.00 46.19 47.43 1ujr s LEU 14 CO 0.12 -0.48 1.02 -0.76 -1.06 0.00 0.00 176.35 175.19 1ujr s LEU 15 N -3.48 0.36 0.35 1.48 1.43 -1.26 -5.04 118.68 112.51 1ujr s LEU 15 Ca 0.23 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.55 1ujr s LEU 15 Cb 0.00 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1ujr s LEU 15 CO 0.00 -4.36 0.40 -0.44 0.23 0.00 0.00 176.35 172.18 1ujr s SER 16 N -3.03 5.62 0.35 2.29 0.01 -1.26 -5.01 113.70 112.67 1ujr s SER 16 Ca 0.68 -0.36 0.26 0.00 1.31 0.00 0.00 55.95 57.85 1ujr s SER 16 Cb -0.19 -1.05 0.89 0.00 0.21 0.00 0.00 66.02 65.89 1ujr s SER 16 CO 0.61 -0.44 1.77 1.55 0.41 0.00 0.00 173.24 177.14 1ujr h PRO 17 N 1.03 0.00 0.03 12.44 0.13 -2.02 -3.00 132.00 140.61 1ujr h PRO 17 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 1ujr h PRO 17 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ujr h PRO 17 CO 0.55 0.00 -0.99 1.05 -0.23 0.00 0.00 178.00 178.37 1ujr h GLU 18 N 0.00 0.30 -0.07 0.86 4.11 -1.96 -3.12 114.58 114.69 1ujr h GLU 18 Ca 0.00 -0.36 0.02 0.00 0.07 0.00 0.00 59.36 59.09 1ujr h GLU 18 Cb 0.64 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ujr h GLU 18 CO 0.00 1.08 0.06 1.49 0.07 0.00 0.00 179.01 181.71 1ujr h GLU 19 N 0.15 0.00 0.00 1.06 4.57 -1.87 -1.58 114.58 116.90 1ujr h GLU 19 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1ujr h GLU 19 Cb 1.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1ujr h GLU 19 CO 0.16 0.00 0.00 -0.11 -1.18 0.00 0.00 179.01 177.88 1ujr n LEU 20 N -4.25 0.00 0.00 1.64 0.00 -1.18 -0.71 117.00 112.51 1ujr n LEU 20 Ca -0.01 0.99 -0.10 0.00 0.00 0.00 0.00 56.01 56.89 1ujr n LEU 20 Cb 0.16 -0.49 -0.04 0.00 0.00 0.00 0.00 43.42 43.05 1ujr n LEU 20 CO 0.32 -0.49 0.66 0.11 0.00 0.00 0.00 177.39 177.98 1ujr h LYS 21 N 0.00 -0.36 -0.99 1.96 1.57 -1.66 0.86 116.57 117.94 1ujr h LYS 21 Ca 0.00 0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.17 1ujr h LYS 21 Cb 0.00 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 32.22 1ujr h LYS 21 CO 0.00 -0.24 0.41 0.00 -0.57 0.00 0.00 179.45 179.05 1ujr h ALA 22 N 0.47 1.89 -0.87 3.86 0.00 -1.25 1.43 119.26 124.79 1ujr h ALA 22 Ca 0.10 0.28 0.23 0.00 0.00 0.00 0.00 54.91 55.51 1ujr h ALA 22 Cb 0.53 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1ujr h ALA 22 CO -0.34 -0.81 0.11 0.00 0.00 0.00 0.00 179.25 178.21 1ujr h ALA 23 N 1.97 1.11 -1.33 0.00 0.00 0.14 1.36 119.26 122.52 1ujr h ALA 23 Ca 0.77 0.26 0.40 0.00 0.00 0.00 0.00 54.91 56.35 1ujr h ALA 23 Cb 1.92 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 20.03 1ujr h ALA 23 CO -0.79 -0.49 0.89 1.03 0.00 0.00 0.00 179.25 179.89 1ujr h SER 24 N 0.12 0.22 -1.50 0.00 0.87 0.19 0.44 113.55 113.89 1ujr h SER 24 Ca 0.53 0.09 0.50 0.00 -1.23 0.00 0.00 61.79 61.67 1ujr h SER 24 Cb 1.04 0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 62.94 1ujr h SER 24 CO -0.73 -0.07 0.99 -2.11 -0.53 0.00 0.00 176.83 174.38 1ujr n ARG 25 N -4.50 -0.03 0.21 2.24 1.85 0.47 0.20 116.66 117.10 1ujr n ARG 25 Ca 0.34 1.23 0.14 0.00 -1.00 0.00 0.00 57.85 58.56 1ujr n ARG 25 Cb 1.36 -2.50 0.54 0.00 -1.05 0.00 0.00 32.46 30.81 1ujr n ARG 25 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1ujr h GLY 26 N 0.00 0.00 0.52 2.89 0.00 -0.28 0.39 103.07 106.58 1ujr h GLY 26 Ca 0.90 0.00 0.17 0.00 0.00 0.00 0.00 47.33 48.40 1ujr h GLY 26 CO -0.39 0.00 0.57 3.43 0.00 0.00 0.00 176.54 180.16 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 4.21 0.20 -3.39 115.58 116.79 1ujr h ASN 27 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1ujr h ASN 27 Cb 1.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 1ujr h ASN 27 CO -0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 1ujr n GLY 28 N -1.57 2.40 0.00 2.83 0.00 0.14 -4.90 105.19 104.09 1ujr n GLY 28 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ujr n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujr n GLU 29 N 0.70 0.00 -0.88 1.61 1.02 0.14 -4.92 120.64 118.30 1ujr n GLU 29 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1ujr n GLU 29 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.54 1ujr n GLU 29 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1ujr n TYR 30 N -0.69 -0.72 -3.66 -0.32 0.18 -1.26 0.14 117.16 110.82 1ujr n TYR 30 Ca 0.00 0.29 -0.10 0.00 1.88 0.00 0.00 57.90 59.97 1ujr n TYR 30 Cb 0.00 -1.87 -0.08 0.00 -0.38 0.00 0.00 39.34 37.01 1ujr n TYR 30 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ujr s ALA 31 N -2.33 -1.62 0.05 -3.48 0.00 0.12 -4.66 121.76 109.83 1ujr s ALA 31 Ca 0.61 2.03 -0.18 0.00 0.00 0.00 0.00 51.96 54.42 1ujr s ALA 31 Cb -0.24 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 1ujr s ALA 31 CO 0.63 -0.33 0.52 -1.58 0.00 0.00 0.00 175.76 175.00 1ujr s TRP 32 N 1.10 3.78 0.10 0.00 0.52 -1.26 0.21 118.94 123.39 1ujr s TRP 32 Ca -0.06 1.18 0.07 0.00 0.02 0.00 0.00 56.10 57.31 1ujr s TRP 32 Cb -0.05 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1ujr s TRP 32 CO -0.11 0.59 -0.18 0.71 0.02 0.00 0.00 176.95 177.99 1ujr s TYR 33 N -1.04 1.58 0.06 -1.98 2.02 0.14 -3.98 117.35 114.14 1ujr s TYR 33 Ca 0.27 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1ujr s TYR 33 Cb -0.19 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1ujr s TYR 33 CO 0.17 0.16 -0.10 1.52 -1.57 0.00 0.00 175.55 175.74 1ujr s TYR 34 N -1.37 0.86 -0.37 2.71 -0.85 0.12 0.14 117.35 118.60 1ujr s TYR 34 Ca 0.05 -0.51 -0.36 0.00 -0.52 0.00 0.00 57.07 55.73 1ujr s TYR 34 Cb -0.09 -0.50 -0.12 0.00 0.38 0.00 0.00 41.96 41.63 1ujr s TYR 34 CO 0.04 -0.04 2.20 -1.91 -1.52 0.00 0.00 175.55 174.31 1ujr n GLU 35 N 1.29 0.98 -0.68 -3.49 2.13 0.12 0.08 120.64 121.07 1ujr n GLU 35 Ca -0.21 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1ujr n GLU 35 Cb 0.55 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1ujr n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ujr n GLY 36 N 6.62 3.80 0.34 8.31 0.00 0.14 -4.81 105.19 119.58 1ujr n GLY 36 Ca 0.43 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1ujr n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ujr h ARG 37 N 0.00 -0.78 -0.47 1.61 9.65 -1.92 -3.26 114.38 119.20 1ujr h ARG 37 Ca 0.00 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1ujr h ARG 37 Cb 0.00 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1ujr h ARG 37 CO 0.00 -0.49 0.17 -0.91 2.80 0.00 0.00 179.97 181.54 1ujr h ASN 38 N -1.15 0.66 0.00 -3.80 4.21 -1.99 -3.47 115.58 110.04 1ujr h ASN 38 Ca -0.08 -0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.24 1ujr h ASN 38 Cb 0.66 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1ujr h ASN 38 CO 0.14 0.66 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 1ujr n GLY 39 N -0.75 -2.01 2.91 2.83 0.00 -1.23 -5.13 105.19 101.81 1ujr n GLY 39 Ca 0.01 0.67 -0.15 0.00 0.00 0.00 0.00 46.02 46.55 1ujr n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ujr s TRP 40 N 0.00 0.29 0.28 1.61 0.52 -1.26 0.24 118.94 120.62 1ujr s TRP 40 Ca 0.00 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1ujr s TRP 40 Cb 0.00 -0.22 -0.06 0.00 -1.15 0.00 0.00 33.47 32.05 1ujr s TRP 40 CO 0.00 -0.02 0.03 -1.58 0.02 0.00 0.00 176.95 175.40 1ujr s TRP 41 N 0.08 1.76 0.16 -1.98 0.23 0.11 -4.70 118.94 114.60 1ujr s TRP 41 Ca -0.00 -0.96 0.04 0.00 -2.03 0.00 0.00 56.10 53.15 1ujr s TRP 41 Cb -0.03 -1.08 -0.04 0.00 0.03 0.00 0.00 33.47 32.35 1ujr s TRP 41 CO -0.00 -0.04 0.19 -1.14 0.96 0.00 0.00 176.95 176.93 1ujr s GLN 42 N -3.89 3.12 -0.04 4.98 0.74 -1.26 0.16 119.66 123.47 1ujr s GLN 42 Ca 0.33 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.96 1ujr s GLN 42 Cb 0.07 -2.78 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1ujr s GLN 42 CO 0.13 0.50 0.18 1.88 -0.55 0.00 0.00 175.29 177.43 1ujr h TYR 43 N 2.32 -0.09 0.00 1.67 -1.99 -1.97 -3.48 116.97 113.43 1ujr h TYR 43 Ca -0.48 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1ujr h TYR 43 Cb 1.20 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1ujr h TYR 43 CO 0.56 -0.05 0.00 -3.47 -0.00 0.00 0.00 178.16 175.20 1ujr n ASP 44 N -3.35 0.00 0.00 3.88 2.03 -1.26 -4.89 116.55 112.95 1ujr n ASP 44 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1ujr n ASP 44 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ujr n GLU 45 N -0.46 0.00 -0.02 -0.67 2.13 -1.26 -4.38 120.64 115.99 1ujr n GLU 45 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1ujr n GLU 45 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1ujr n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ujr h ARG 46 N 0.00 -0.07 -1.30 5.31 2.47 -1.98 -1.98 114.38 116.82 1ujr h ARG 46 Ca 0.00 0.01 0.42 0.00 -1.26 0.00 0.00 59.98 59.14 1ujr h ARG 46 Cb 0.00 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.22 1ujr h ARG 46 CO 0.00 0.15 0.84 1.15 0.56 0.00 0.00 179.97 182.67 1ujr h THR 47 N -1.01 0.17 0.12 2.04 2.02 -1.95 0.99 112.91 115.29 1ujr h THR 47 Ca -0.01 -0.04 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 1ujr h THR 47 Cb 0.26 0.04 0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1ujr h THR 47 CO 0.01 0.02 -0.95 0.77 0.37 0.00 0.00 175.52 175.74 1ujr h SER 48 N 0.12 0.63 -0.93 4.18 4.64 -1.95 -3.17 113.55 117.07 1ujr h SER 48 Ca 0.79 -0.88 0.27 0.00 -0.47 0.00 0.00 61.79 61.50 1ujr h SER 48 Cb 2.47 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 64.32 1ujr h SER 48 CO -0.39 1.45 0.95 0.03 -0.87 0.00 0.00 176.83 178.00 1ujr h ARG 49 N -0.10 0.00 0.18 4.77 3.08 0.18 1.17 114.38 123.65 1ujr h ARG 49 Ca -0.15 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.56 1ujr h ARG 49 Cb 1.70 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.76 1ujr h ARG 49 CO 0.18 0.00 -1.66 0.93 -1.07 0.00 0.00 179.97 178.35 1ujr h GLU 50 N 0.00 0.37 0.40 0.04 4.39 -1.43 -3.10 114.58 115.26 1ujr h GLU 50 Ca 0.44 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1ujr h GLU 50 Cb 2.34 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 31.20 1ujr h GLU 50 CO -0.00 1.31 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.65 1ujr h LEU 51 N 0.02 -1.18 -0.71 1.33 3.38 0.14 0.73 115.31 119.03 1ujr h LEU 51 Ca -0.33 0.10 0.11 0.00 0.09 0.00 0.00 57.88 57.85 1ujr h LEU 51 Cb 2.03 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 43.10 1ujr h LEU 51 CO 0.16 -0.58 0.32 1.05 0.09 0.00 0.00 178.44 179.48 1ujr h GLU 52 N -0.86 0.51 -0.44 1.13 -0.00 -1.34 1.51 114.58 115.09 1ujr h GLU 52 Ca -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1ujr h GLU 52 Cb 0.77 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 29.38 1ujr h GLU 52 CO -0.08 0.34 0.28 -0.44 -0.00 0.00 0.00 179.01 179.10 1ujr h ASP 53 N 0.52 0.52 0.50 3.06 3.32 -1.31 0.15 116.42 123.19 1ujr h ASP 53 Ca 0.36 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1ujr h ASP 53 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ujr h ASP 53 CO -0.31 0.40 -0.24 0.00 -1.72 0.00 0.00 179.24 177.37 1ujr h ALA 54 N 1.14 -0.80 -0.92 3.45 0.00 0.21 0.29 119.26 122.64 1ujr h ALA 54 Ca 0.16 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.18 1ujr h ALA 54 Cb -0.03 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 17.86 1ujr h ALA 54 CO -0.03 -0.75 0.15 0.35 0.00 0.00 0.00 179.25 178.97 1ujr h PHE 55 N -0.99 0.18 0.35 0.00 3.57 0.21 0.36 116.94 120.62 1ujr h PHE 55 Ca -0.07 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ujr h PHE 55 Cb 0.52 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1ujr h PHE 55 CO 0.03 -0.33 -0.17 1.03 -2.23 0.00 0.00 178.31 176.64 1ujr h SER 56 N 0.10 -0.39 -1.94 0.41 0.87 -0.68 -3.04 113.55 108.88 1ujr h SER 56 Ca 0.58 0.01 0.56 0.00 -1.23 0.00 0.00 61.79 61.72 1ujr h SER 56 Cb 1.21 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.19 1ujr h SER 56 CO -0.78 -0.13 1.42 0.11 -0.53 0.00 0.00 176.83 176.93 1ujr h LYS 57 N -0.77 0.00 0.00 2.24 1.57 0.55 -3.42 116.57 116.74 1ujr h LYS 57 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ujr h LYS 57 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ujr h LYS 57 CO 0.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 1ujr n GLY 58 N -1.92 1.17 3.52 3.86 0.00 0.96 -5.05 105.19 107.73 1ujr n GLY 58 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1ujr n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujr n LYS 59 N -0.36 1.00 -0.03 1.61 5.02 0.61 -4.74 118.16 121.27 1ujr n LYS 59 Ca 0.00 0.15 0.24 0.00 -2.02 0.00 0.00 58.31 56.68 1ujr n LYS 59 Cb 0.00 -2.82 0.71 0.00 -0.02 0.00 0.00 35.03 32.90 1ujr n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ujr h LYS 60 N 15.74 0.00 -2.27 1.97 1.57 -1.91 -3.32 116.57 128.35 1ujr h LYS 60 Ca -0.24 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1ujr h LYS 60 Cb 1.29 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.40 1ujr h LYS 60 CO 1.13 0.00 0.07 0.54 -0.57 0.00 0.00 179.45 180.62 1ujr s ASN 61 N -5.24 -0.54 0.02 0.86 2.20 -1.26 0.51 114.94 111.48 1ujr s ASN 61 Ca -0.04 0.57 0.08 0.00 -0.94 0.00 0.00 52.86 52.53 1ujr s ASN 61 Cb 0.17 0.50 -0.02 0.00 -2.00 0.00 0.00 41.25 39.90 1ujr s ASN 61 CO 0.62 -0.56 -0.23 0.28 -2.94 0.00 0.00 177.10 174.26 1ujr s THR 62 N -1.19 1.86 -0.24 0.54 -1.32 0.10 -4.94 115.64 110.46 1ujr s THR 62 Ca -0.11 -1.16 -0.14 0.00 -1.21 0.00 0.00 61.69 59.07 1ujr s THR 62 Cb -0.01 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 1ujr s THR 62 CO 0.08 0.38 0.33 -1.61 -2.21 0.00 0.00 174.62 171.60 1ujr s GLU 63 N -0.91 4.09 0.23 7.08 8.01 -1.26 0.18 118.70 136.11 1ujr s GLU 63 Ca 0.09 0.03 0.11 0.00 0.01 0.00 0.00 54.97 55.21 1ujr s GLU 63 Cb -0.09 -3.58 -0.05 0.00 -4.31 0.00 0.00 34.13 26.10 1ujr s GLU 63 CO 0.01 -0.10 -0.16 0.00 0.01 0.00 0.00 175.26 175.01 1ujr s MET 64 N 1.52 1.79 -0.29 1.61 0.23 0.16 -4.97 119.30 119.36 1ujr s MET 64 Ca 0.15 -1.54 0.03 0.00 -1.03 0.00 0.00 55.69 53.29 1ujr s MET 64 Cb -0.15 -1.93 0.08 0.00 -1.53 0.00 0.00 34.83 31.30 1ujr s MET 64 CO 0.08 0.38 -0.03 -1.17 -2.03 0.00 0.00 175.02 172.25 1ujr s LEU 65 N -3.13 3.68 0.70 0.18 2.96 -1.26 0.14 118.68 121.96 1ujr s LEU 65 Ca 0.26 -1.64 -0.05 0.00 -0.22 0.00 0.00 54.13 52.48 1ujr s LEU 65 Cb -0.07 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.23 1ujr s LEU 65 CO 0.14 -0.28 0.99 -0.63 -1.32 0.00 0.00 176.35 175.26 1ujr s ILE 66 N 1.12 2.30 -0.98 6.68 -1.09 0.13 -4.84 121.20 124.51 1ujr s ILE 66 Ca -0.00 -0.38 -0.15 0.00 -2.23 0.00 0.00 60.65 57.89 1ujr s ILE 66 Cb -0.19 -2.92 -0.30 0.00 -1.58 0.00 0.00 42.46 37.47 1ujr s ILE 66 CO -0.08 0.00 2.29 0.00 -1.23 0.00 0.00 174.94 175.93 1ujr n ALA 67 N -2.88 0.90 -3.86 9.38 0.00 -1.26 0.42 120.51 123.22 1ujr n ALA 67 Ca 0.10 -0.72 -0.24 0.00 0.00 0.00 0.00 53.44 52.57 1ujr n ALA 67 Cb 0.60 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1ujr n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ujr n GLY 68 N 5.80 -0.27 3.08 0.00 0.00 -1.26 -4.96 105.19 107.58 1ujr n GLY 68 Ca 0.66 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1ujr n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 69 N -3.78 -1.45 -0.22 1.61 0.08 0.17 -5.12 117.98 109.26 1ujr s PHE 69 Ca 0.07 1.29 -0.29 0.00 0.12 0.00 0.00 56.93 58.12 1ujr s PHE 69 Cb -0.03 0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 42.73 1ujr s PHE 69 CO 0.86 -0.90 1.59 -0.51 -0.10 0.00 0.00 175.22 176.16 1ujr s LEU 70 N 2.76 3.90 0.25 -0.37 2.01 -1.26 0.20 118.68 126.17 1ujr s LEU 70 Ca 0.16 1.60 0.11 0.00 0.01 0.00 0.00 54.13 56.01 1ujr s LEU 70 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 46.19 42.48 1ujr s LEU 70 CO -0.22 -1.24 -0.20 -0.31 1.01 0.00 0.00 176.35 175.39 1ujr s TYR 71 N 5.12 2.19 -0.06 0.29 2.02 0.12 0.01 117.35 127.05 1ujr s TYR 71 Ca 0.70 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 57.02 1ujr s TYR 71 Cb -0.24 -0.99 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1ujr s TYR 71 CO 0.29 0.61 0.02 0.08 -1.57 0.00 0.00 175.55 174.98 1ujr s VAL 72 N -2.39 0.22 -0.41 0.71 1.01 0.12 0.37 120.40 120.03 1ujr s VAL 72 Ca 0.27 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1ujr s VAL 72 Cb -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1ujr s VAL 72 CO 0.13 0.23 0.27 0.00 0.00 0.00 0.00 175.10 175.73 1ujr s ALA 73 N 1.99 3.40 -0.16 5.51 0.00 0.13 0.27 121.76 132.91 1ujr s ALA 73 Ca 0.04 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1ujr s ALA 73 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1ujr s ALA 73 CO -0.04 -1.48 0.47 0.34 0.00 0.00 0.00 175.76 175.04 1ujr s ASP 74 N 1.77 6.59 -0.16 0.00 -1.08 0.16 0.02 116.67 123.96 1ujr s ASP 74 Ca 0.04 0.70 -0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1ujr s ASP 74 Cb -0.20 -2.27 -0.23 0.00 -1.46 0.00 0.00 42.92 38.76 1ujr s ASP 74 CO 0.08 -0.06 0.19 0.18 0.52 0.00 0.00 175.17 176.07 1ujr n LEU 75 N 4.15 2.40 -0.33 -1.34 7.99 0.16 0.39 117.00 130.43 1ujr n LEU 75 Ca -0.07 0.11 0.16 0.00 -0.01 0.00 0.00 56.01 56.20 1ujr n LEU 75 Cb 0.51 -0.82 0.35 0.00 -0.11 0.00 0.00 43.42 43.35 1ujr n LEU 75 CO 0.42 0.81 1.12 -0.33 -1.51 0.00 0.00 177.39 177.90 1ujr h GLU 76 N 0.04 0.49 0.00 3.23 5.08 -0.25 0.17 114.58 123.34 1ujr h GLU 76 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ujr h GLU 76 Cb 2.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1ujr h GLU 76 CO 0.03 0.33 -1.32 0.09 -1.00 0.00 0.00 179.01 177.14 1ujr n ASN 77 N -4.95 0.74 -2.52 1.42 3.02 -1.26 -5.00 115.26 106.71 1ujr n ASN 77 Ca 0.25 -0.55 -0.12 0.00 -0.03 0.00 0.00 54.58 54.13 1ujr n ASN 77 Cb 0.71 1.38 0.06 0.00 -0.61 0.00 0.00 39.78 41.31 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ujr n MET 78 N -1.76 -4.40 -3.70 3.52 1.56 0.59 -4.92 117.12 108.02 1ujr n MET 78 Ca 0.01 0.53 -0.14 0.00 -0.27 0.00 0.00 57.70 57.83 1ujr n MET 78 Cb 0.39 -4.63 -0.08 0.00 2.15 0.00 0.00 33.22 31.04 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1ujr s VAL 79 N -3.22 0.03 -0.09 1.12 -7.23 0.16 -0.12 120.40 111.05 1ujr s VAL 79 Ca 0.09 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 1ujr s VAL 79 Cb -0.04 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1ujr s VAL 79 CO 0.46 -0.14 -0.15 0.00 -0.31 0.00 0.00 175.10 174.97 1ujr s GLN 80 N -0.88 3.00 0.15 4.82 -2.07 0.12 0.36 119.66 125.15 1ujr s GLN 80 Ca -0.09 -0.71 0.05 0.00 -1.82 0.00 0.00 55.36 52.78 1ujr s GLN 80 Cb -0.04 -2.49 -0.04 0.00 -1.09 0.00 0.00 33.01 29.35 1ujr s GLN 80 CO 0.04 0.37 -0.11 1.52 -1.32 0.00 0.00 175.29 175.79 1ujr s TYR 81 N -0.07 1.35 0.23 9.60 -0.85 0.14 0.30 117.35 128.04 1ujr s TYR 81 Ca -0.03 -0.69 -0.30 0.00 -0.52 0.00 0.00 57.07 55.54 1ujr s TYR 81 Cb -0.14 -0.68 -0.09 0.00 0.38 0.00 0.00 41.96 41.44 1ujr s TYR 81 CO 0.04 0.13 1.02 1.03 -1.52 0.00 0.00 175.55 176.26 1ujr s ARG 82 N -3.50 4.72 0.00 -3.49 0.52 0.11 0.11 118.95 117.43 1ujr s ARG 82 Ca 0.16 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 1ujr s ARG 82 Cb 0.00 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1ujr s ARG 82 CO 0.02 0.30 0.84 0.54 0.02 0.00 0.00 175.30 177.02 1ujr n ARG 83 N 1.71 0.00 -0.09 3.54 1.74 0.10 -1.33 116.66 122.33 1ujr n ARG 83 Ca -0.00 0.44 -0.06 0.00 -0.77 0.00 0.00 57.85 57.45 1ujr n ARG 83 Cb 0.46 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1ujr h ASN 84 N 0.00 -0.22 -2.87 0.55 2.35 -1.95 -3.08 115.58 110.37 1ujr h ASN 84 Ca 0.00 0.08 -0.79 0.00 -0.55 0.00 0.00 56.30 55.05 1ujr h ASN 84 Cb 0.00 0.17 -0.25 0.00 0.05 0.00 0.00 38.32 38.29 1ujr h ASN 84 CO 0.00 -0.07 0.90 -0.62 -1.65 0.00 0.00 177.43 175.98 1ujr n GLU 85 N -5.22 3.84 0.30 0.81 1.02 -1.20 -4.80 120.64 115.39 1ujr n GLU 85 Ca 0.00 -4.28 0.16 0.00 -0.02 0.00 0.00 57.16 53.02 1ujr n GLU 85 Cb 0.17 -2.66 0.86 0.00 -0.02 0.00 0.00 31.44 29.79 1ujr n GLU 85 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1ujr h HIS 86 N 6.21 0.00 0.36 -0.32 2.07 -1.11 -1.37 115.15 120.99 1ujr h HIS 86 Ca 0.23 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.74 1ujr h HIS 86 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 1ujr h HIS 86 CO 0.95 0.00 -0.17 0.78 -3.07 0.00 0.00 177.93 176.42 1ujr h GLY 87 N 0.00 -0.50 -6.67 6.13 0.00 -1.87 -3.42 103.07 96.74 1ujr h GLY 87 Ca 0.00 0.19 -0.58 0.00 0.00 0.00 0.00 47.33 46.94 1ujr h GLY 87 CO 0.00 -0.18 1.44 0.50 0.00 0.00 0.00 176.54 178.30 1ujr s ARG 88 N -4.85 3.31 0.07 4.80 1.81 -0.52 -4.91 118.95 118.66 1ujr s ARG 88 Ca -0.14 2.12 -0.11 0.00 -1.72 0.00 0.00 55.73 55.88 1ujr s ARG 88 Cb 0.02 -4.33 0.01 0.00 -0.45 0.00 0.00 34.95 30.20 1ujr s ARG 88 CO 0.55 -1.90 0.24 -0.98 -0.68 0.00 0.00 175.30 172.52 1ujr s ARG 89 N 6.00 0.81 -0.01 3.54 1.70 -1.26 0.07 118.95 129.80 1ujr s ARG 89 Ca 0.98 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 55.39 1ujr s ARG 89 Cb -0.34 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.39 1ujr s ARG 89 CO 0.36 -0.26 0.23 1.03 -1.08 0.00 0.00 175.30 175.58 1ujr s ARG 90 N -3.17 0.55 0.37 3.89 0.52 0.15 -4.96 118.95 116.30 1ujr s ARG 90 Ca -0.00 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 54.72 1ujr s ARG 90 Cb 0.02 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.64 1ujr s ARG 90 CO -0.07 -0.14 1.07 0.15 0.02 0.00 0.00 175.30 176.33 1ujr s LYS 91 N -1.22 4.25 0.19 3.54 -0.14 -1.26 0.15 119.74 125.24 1ujr s LYS 91 Ca -0.13 1.61 0.05 0.00 -1.36 0.00 0.00 55.97 56.15 1ujr s LYS 91 Cb -0.06 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 1ujr s LYS 91 CO 0.03 -0.09 -0.10 0.96 -0.76 0.00 0.00 175.35 175.39 1ujr s ILE 92 N -1.52 1.36 -0.21 2.17 -4.36 0.83 0.11 121.20 119.58 1ujr s ILE 92 Ca 0.55 -2.11 -0.16 0.00 -0.26 0.00 0.00 60.65 58.67 1ujr s ILE 92 Cb -0.25 -2.02 0.06 0.00 1.25 0.00 0.00 42.46 41.50 1ujr s ILE 92 CO 0.32 -0.61 0.53 -1.59 0.24 0.00 0.00 174.94 173.83 1ujr s LYS 93 N -3.73 0.58 -0.40 0.37 -2.85 0.12 -4.64 119.74 109.19 1ujr s LYS 93 Ca 0.21 0.85 -0.18 0.00 -1.00 0.00 0.00 55.97 55.85 1ujr s LYS 93 Cb 0.02 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 1ujr s LYS 93 CO 0.04 -0.11 0.50 0.50 0.10 0.00 0.00 175.35 176.38 1ujr s ARG 94 N 0.85 3.33 0.41 1.78 3.52 -1.26 0.28 118.95 127.86 1ujr s ARG 94 Ca -0.05 -0.47 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 1ujr s ARG 94 Cb -0.05 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.47 1ujr s ARG 94 CO -0.07 -0.81 0.33 -3.47 -0.81 0.00 0.00 175.30 170.47 1ujr n ASP 95 N 5.78 2.24 -4.18 -2.12 2.03 0.13 -4.93 116.55 115.51 1ujr n ASP 95 Ca -0.05 -2.38 -0.27 0.00 0.52 0.00 0.00 54.79 52.60 1ujr n ASP 95 Cb 0.48 -0.05 -0.16 0.00 -0.72 0.00 0.00 41.12 40.67 1ujr n ASP 95 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ujr s ILE 96 N -1.99 1.61 0.02 5.18 1.01 -1.26 0.10 121.20 125.87 1ujr s ILE 96 Ca 0.25 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 1ujr s ILE 96 Cb -0.02 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1ujr s ILE 96 CO 0.16 0.46 0.11 -0.63 0.00 0.00 0.00 174.94 175.03 1ujr s ILE 97 N -0.15 4.86 -0.74 2.92 -1.09 0.12 -4.59 121.20 122.53 1ujr s ILE 97 Ca -0.00 -0.44 -0.17 0.00 -2.23 0.00 0.00 60.65 57.80 1ujr s ILE 97 Cb -0.11 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1ujr s ILE 97 CO 0.02 0.28 0.44 0.47 -1.23 0.00 0.00 174.94 174.92 1ujr n ASP 98 N 0.92 -2.86 -3.81 3.58 9.92 -1.26 0.26 116.55 123.31 1ujr n ASP 98 Ca -0.11 -0.82 -0.37 0.00 -0.53 0.00 0.00 54.79 52.96 1ujr n ASP 98 Cb 0.52 -1.06 -0.00 0.00 -0.64 0.00 0.00 41.12 39.94 1ujr n ASP 98 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ujr n ILE 99 N -3.24 0.58 -2.55 0.53 -6.64 -1.26 -4.18 119.36 102.61 1ujr n ILE 99 Ca -0.11 -0.44 -0.34 0.00 -1.77 0.00 0.00 62.75 60.08 1ujr n ILE 99 Cb 0.40 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.57 1ujr n ILE 99 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ujr s PRO 100 N -0.89 3.81 0.05 6.28 0.04 -1.26 -4.95 135.00 138.07 1ujr s PRO 100 Ca 0.53 1.36 0.24 0.00 0.04 0.00 0.00 61.00 63.16 1ujr s PRO 100 Cb -0.57 -2.10 0.23 0.00 0.04 0.00 0.00 34.50 32.10 1ujr s PRO 100 CO 0.56 -0.43 1.19 0.36 0.04 0.00 0.00 177.00 178.72 1ujr n LYS 101 N -0.95 0.18 0.09 4.56 -0.00 -1.26 -3.75 118.16 117.03 1ujr n LYS 101 Ca 0.09 0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.40 1ujr n LYS 101 Cb 0.52 -1.58 -0.05 0.00 -0.00 0.00 0.00 35.03 33.93 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ujr h LYS 102 N 0.00 0.00 0.49 -1.58 3.11 -2.01 -3.33 116.57 113.24 1ujr h LYS 102 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1ujr h LYS 102 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1ujr h LYS 102 CO 0.00 0.63 -0.23 0.78 -2.81 0.00 0.00 179.45 177.82 1ujr h GLY 103 N 3.37 -0.68 -3.58 5.01 0.00 -1.98 -3.49 103.07 101.71 1ujr h GLY 103 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1ujr h GLY 103 CO 0.08 -0.25 -0.90 -0.62 0.00 0.00 0.00 176.54 174.85 1ujr n VAL 104 N -5.31 -4.10 -1.36 4.60 0.31 -1.25 -4.88 118.33 106.33 1ujr n VAL 104 Ca -0.11 1.91 -0.32 0.00 -0.01 0.00 0.00 64.34 65.80 1ujr n VAL 104 Cb 0.30 -2.81 0.09 0.00 -0.91 0.00 0.00 33.84 30.51 1ujr n VAL 104 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ujr s SER 105 N -4.25 4.44 -0.41 4.52 0.15 -1.26 -4.82 113.70 112.08 1ujr s SER 105 Ca 0.00 1.99 -0.39 0.00 0.70 0.00 0.00 55.95 58.25 1ujr s SER 105 Cb 0.00 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 1ujr s SER 105 CO 0.00 -2.08 2.13 0.61 1.20 0.00 0.00 173.24 175.10 1ujr n GLY 106 N -0.61 0.25 0.13 9.45 0.00 -1.26 -4.84 105.19 108.32 1ujr n GLY 106 Ca 0.10 1.01 -0.08 0.00 0.00 0.00 0.00 46.02 47.05 1ujr n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujr h PRO 107 N 10.54 -0.20 0.00 1.61 0.13 -1.95 -3.50 132.00 138.62 1ujr h PRO 107 Ca -0.22 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1ujr h PRO 107 Cb 1.36 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1ujr h PRO 107 CO 1.04 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 179.39 1ujr n SER 108 N -4.90 0.00 -1.41 1.44 7.64 -1.26 -5.17 113.62 109.96 1ujr n SER 108 Ca -0.06 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.98 1ujr n SER 108 Cb 0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 1ujr n SER 108 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujr n SER 109 N 0.00 -7.46 0.00 6.43 7.64 -1.26 -5.27 113.62 113.70 1ujr n SER 109 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1ujr n SER 109 Cb 0.00 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64