#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 -0.11 0.43 3.54 0.15 -1.26 -5.16 113.70 111.29 1ujr s SER 2 Ca 0.00 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1ujr s SER 2 Cb 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ujr s SER 2 CO 0.00 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.11 1ujr n SER 3 N 0.80 -5.37 0.00 5.45 2.88 -1.26 -5.09 113.62 111.03 1ujr n SER 3 Ca -0.04 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1ujr n SER 3 Cb 0.58 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.64 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 -3.61 -0.10 3.28 0.46 0.00 -1.26 -5.19 105.19 98.78 1ujr n GLY 4 Ca -0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 1ujr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujr s SER 5 N 0.00 0.93 0.21 1.61 1.04 -1.26 -5.09 113.70 111.15 1ujr s SER 5 Ca 0.00 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1ujr s SER 5 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1ujr s SER 5 CO 0.00 -0.79 0.00 -1.20 0.98 0.00 0.00 173.24 172.23 1ujr n SER 6 N -0.48 0.20 -0.31 7.02 7.64 -1.26 -5.17 113.62 121.26 1ujr n SER 6 Ca 0.01 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.29 1ujr n SER 6 Cb 0.66 0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 64.02 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 7 N 2.11 -1.58 3.65 0.23 0.00 -1.26 -5.05 105.19 103.29 1ujr n GLY 7 Ca 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.52 -0.13 -0.15 1.61 -0.71 -1.26 -5.18 117.98 110.64 1ujr s PHE 8 Ca 0.00 0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 55.86 1ujr s PHE 8 Cb 0.00 0.22 0.13 0.00 -1.21 0.00 0.00 43.02 42.15 1ujr s PHE 8 CO 0.00 -0.06 1.00 -0.51 -1.34 0.00 0.00 175.22 174.31 1ujr s LEU 9 N 0.73 -0.35 -0.27 -1.99 1.43 -1.26 -5.18 118.68 111.79 1ujr s LEU 9 Ca -0.03 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.14 1ujr s LEU 9 Cb -0.03 1.84 0.18 0.00 0.03 0.00 0.00 46.19 48.21 1ujr s LEU 9 CO -0.12 -0.35 1.31 1.51 0.23 0.00 0.00 176.35 178.93 1ujr s ASP 10 N -1.23 -0.11 -0.38 2.29 -4.77 -1.26 -5.13 116.67 106.08 1ujr s ASP 10 Ca -0.01 0.15 0.05 0.00 -3.30 0.00 0.00 52.55 49.45 1ujr s ASP 10 Cb -0.01 0.13 0.17 0.00 -1.09 0.00 0.00 42.92 42.12 1ujr s ASP 10 CO 0.00 -0.08 0.48 -0.75 0.70 0.00 0.00 175.17 175.52 1ujr s LYS 11 N -0.72 0.71 1.07 2.11 2.20 -1.26 -5.15 119.74 118.70 1ujr s LYS 11 Ca 0.07 -0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 54.91 1ujr s LYS 11 Cb -0.02 -0.39 0.24 0.00 -1.51 0.00 0.00 37.83 36.15 1ujr s LYS 11 CO -0.08 -1.19 1.22 -1.25 -0.36 0.00 0.00 175.35 173.68 1ujr s PRO 12 N 1.63 -0.18 0.61 4.03 0.04 -1.26 -5.05 135.00 134.81 1ujr s PRO 12 Ca 0.16 -0.22 -0.10 0.00 0.04 0.00 0.00 61.00 60.89 1ujr s PRO 12 Cb -0.11 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1ujr s PRO 12 CO -0.05 -3.00 0.99 0.99 0.04 0.00 0.00 177.00 175.97 1ujr s THR 13 N -3.45 4.50 -0.28 1.26 2.01 -1.26 -5.06 115.64 113.36 1ujr s THR 13 Ca 0.72 0.66 0.01 0.00 0.31 0.00 0.00 61.69 63.40 1ujr s THR 13 Cb -0.07 -3.79 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1ujr s THR 13 CO 0.54 -0.98 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.66 1ujr s LEU 14 N -5.13 3.65 0.00 4.42 1.43 -1.26 -5.05 118.68 116.74 1ujr s LEU 14 Ca 0.54 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1ujr s LEU 14 Cb -0.11 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1ujr s LEU 14 CO 0.52 -0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.88 1ujr n LEU 15 N 4.49 0.00 -4.93 1.79 -0.00 -1.26 -5.14 117.00 111.94 1ujr n LEU 15 Ca -0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.62 1ujr n LEU 15 Cb 0.42 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.90 1ujr n LEU 15 CO 0.23 0.00 0.58 -0.44 -0.00 0.00 0.00 177.39 177.75 1ujr s SER 16 N 0.00 5.04 0.28 1.45 0.01 -1.26 -4.97 113.70 114.24 1ujr s SER 16 Ca 0.00 0.48 0.26 0.00 1.31 0.00 0.00 55.95 57.99 1ujr s SER 16 Cb 0.00 -1.23 0.90 0.00 0.21 0.00 0.00 66.02 65.90 1ujr s SER 16 CO 0.00 -1.43 1.76 1.55 0.41 0.00 0.00 173.24 175.52 1ujr h PRO 17 N -0.44 0.00 0.03 12.44 0.13 -2.02 -3.21 132.00 138.93 1ujr h PRO 17 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 1ujr h PRO 17 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1ujr h PRO 17 CO 0.60 0.00 -1.30 0.93 -0.23 0.00 0.00 178.00 178.00 1ujr h GLU 18 N 0.00 0.06 -0.78 0.86 5.08 -1.99 -3.28 114.58 114.53 1ujr h GLU 18 Ca 0.00 -0.11 0.17 0.00 -1.00 0.00 0.00 59.36 58.43 1ujr h GLU 18 Cb 0.58 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.73 1ujr h GLU 18 CO 0.00 1.05 -0.07 0.93 -1.00 0.00 0.00 179.01 179.92 1ujr h GLU 19 N -0.78 0.05 0.71 2.33 5.08 -1.95 0.32 114.58 120.34 1ujr h GLU 19 Ca -0.33 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1ujr h GLU 19 Cb 1.43 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ujr h GLU 19 CO -0.13 0.03 -0.42 1.25 -1.00 0.00 0.00 179.01 178.74 1ujr h LEU 20 N 0.05 -1.05 -0.37 1.33 6.46 -1.72 0.04 115.31 120.05 1ujr h LEU 20 Ca 0.41 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.27 1ujr h LEU 20 Cb 0.70 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 40.86 1ujr h LEU 20 CO -0.74 -0.66 -0.48 0.11 -0.62 0.00 0.00 178.44 176.05 1ujr h LYS 21 N -1.06 -0.32 -0.26 1.25 6.56 -1.10 1.16 116.57 122.81 1ujr h LYS 21 Ca -0.09 0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1ujr h LYS 21 Cb 0.85 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.54 1ujr h LYS 21 CO 0.10 -0.21 -0.27 0.00 -2.06 0.00 0.00 179.45 177.01 1ujr h ALA 22 N -0.21 -0.48 -0.62 3.86 0.00 -0.35 0.84 119.26 122.31 1ujr h ALA 22 Ca 0.06 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1ujr h ALA 22 Cb 0.50 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 1ujr h ALA 22 CO -0.52 -0.62 -0.21 0.00 0.00 0.00 0.00 179.25 177.90 1ujr h ALA 23 N -0.61 0.29 -0.98 0.00 0.00 -0.20 0.70 119.26 118.46 1ujr h ALA 23 Ca 0.04 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.33 1ujr h ALA 23 Cb 0.27 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1ujr h ALA 23 CO -0.32 -0.50 0.62 0.77 0.00 0.00 0.00 179.25 179.82 1ujr h SER 24 N -0.05 0.81 0.63 0.00 0.02 0.35 1.03 113.55 116.34 1ujr h SER 24 Ca 0.29 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1ujr h SER 24 Cb 0.50 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1ujr h SER 24 CO -0.66 0.37 0.00 0.54 -1.14 0.00 0.00 176.83 175.94 1ujr n ARG 25 N -4.65 0.13 -0.16 3.45 1.74 0.27 -2.79 116.66 114.64 1ujr n ARG 25 Ca 0.20 0.37 -0.10 0.00 -0.77 0.00 0.00 57.85 57.55 1ujr n ARG 25 Cb 0.47 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 1ujr n ARG 25 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1ujr h GLY 26 N 2.28 -1.23 0.00 -0.13 0.00 0.24 -3.33 103.07 100.90 1ujr h GLY 26 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 47.33 48.11 1ujr h GLY 26 CO 0.00 -0.24 -0.29 0.70 0.00 0.00 0.00 176.54 176.71 1ujr n ASN 27 N -4.77 0.98 0.00 0.19 3.02 -1.23 -5.09 115.26 108.36 1ujr n ASN 27 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1ujr n ASN 27 Cb 0.25 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujr n GLY 28 N 1.66 0.65 3.12 7.41 0.00 -0.78 -5.04 105.19 112.23 1ujr n GLY 28 Ca -0.04 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1ujr n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujr s GLU 29 N -0.67 2.10 0.08 1.61 0.41 0.13 -4.85 118.70 117.51 1ujr s GLU 29 Ca 0.00 -1.60 -0.31 0.00 -0.41 0.00 0.00 54.97 52.65 1ujr s GLU 29 Cb 0.00 -3.35 -0.17 0.00 -1.78 0.00 0.00 34.13 28.83 1ujr s GLU 29 CO 0.00 -0.86 0.74 0.66 -0.49 0.00 0.00 175.26 175.31 1ujr n TYR 30 N 4.55 0.13 -3.64 1.61 4.02 -1.26 -0.03 117.16 122.54 1ujr n TYR 30 Ca -0.06 0.91 -0.04 0.00 -0.01 0.00 0.00 57.90 58.70 1ujr n TYR 30 Cb 0.42 -1.81 -0.06 0.00 -0.02 0.00 0.00 39.34 37.87 1ujr n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ujr s ALA 31 N -0.39 -1.66 -0.13 -0.72 0.00 0.15 -4.73 121.76 114.28 1ujr s ALA 31 Ca 0.70 1.96 -0.21 0.00 0.00 0.00 0.00 51.96 54.41 1ujr s ALA 31 Cb -1.00 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1ujr s ALA 31 CO 0.50 -0.87 0.62 -1.58 0.00 0.00 0.00 175.76 174.43 1ujr s TRP 32 N 2.77 3.48 0.27 0.00 0.52 -1.26 0.07 118.94 124.79 1ujr s TRP 32 Ca -0.03 1.03 0.09 0.00 0.02 0.00 0.00 56.10 57.21 1ujr s TRP 32 Cb -0.12 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1ujr s TRP 32 CO -0.16 0.00 0.03 0.71 0.02 0.00 0.00 176.95 177.54 1ujr s TYR 33 N 1.21 2.74 -0.00 -1.98 1.51 0.11 -3.56 117.35 117.37 1ujr s TYR 33 Ca 0.31 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 56.09 1ujr s TYR 33 Cb -0.16 -1.25 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1ujr s TYR 33 CO 0.13 0.59 0.10 1.52 -1.11 0.00 0.00 175.55 176.78 1ujr s TYR 34 N -2.32 0.05 -0.41 2.71 -0.85 0.11 0.12 117.35 116.76 1ujr s TYR 34 Ca 0.32 -0.11 -0.45 0.00 -0.52 0.00 0.00 57.07 56.31 1ujr s TYR 34 Cb -0.06 -0.05 -0.19 0.00 0.38 0.00 0.00 41.96 42.04 1ujr s TYR 34 CO 0.21 -0.22 1.62 -1.91 -1.52 0.00 0.00 175.55 173.72 1ujr n GLU 35 N 1.82 0.33 -0.06 -3.49 4.07 0.13 -0.02 120.64 123.42 1ujr n GLU 35 Ca -0.21 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1ujr n GLU 35 Cb 0.56 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 1ujr n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ujr n GLY 36 N 3.94 6.31 0.03 8.31 0.00 0.12 -4.64 105.19 119.26 1ujr n GLY 36 Ca 0.29 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 1ujr n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujr h ARG 37 N 0.00 0.00 -0.33 1.61 2.47 -1.94 -3.40 114.38 112.79 1ujr h ARG 37 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1ujr h ARG 37 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1ujr h ARG 37 CO 0.00 0.00 -0.02 -0.91 0.56 0.00 0.00 179.97 179.60 1ujr h ASN 38 N -0.43 0.59 0.00 7.04 2.35 -2.01 -3.48 115.58 119.64 1ujr h ASN 38 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1ujr h ASN 38 Cb 0.12 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ujr h ASN 38 CO 0.00 0.77 0.00 0.61 -1.65 0.00 0.00 177.43 177.16 1ujr n GLY 39 N -0.30 0.67 3.39 2.83 0.00 -1.26 -5.13 105.19 105.39 1ujr n GLY 39 Ca -0.02 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 1.64 2.85 0.08 1.61 0.52 -1.26 0.15 118.94 124.52 1ujr s TRP 40 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 56.10 55.53 1ujr s TRP 40 Cb 0.00 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1ujr s TRP 40 CO 0.00 -0.20 0.18 -1.58 0.02 0.00 0.00 176.95 175.37 1ujr s TRP 41 N 0.38 3.40 0.31 -1.98 0.23 0.97 -4.80 118.94 117.46 1ujr s TRP 41 Ca -0.09 0.17 0.06 0.00 -2.03 0.00 0.00 56.10 54.21 1ujr s TRP 41 Cb -0.16 -1.70 -0.01 0.00 0.03 0.00 0.00 33.47 31.63 1ujr s TRP 41 CO 0.05 0.56 0.43 -1.14 0.96 0.00 0.00 176.95 177.81 1ujr s GLN 42 N -2.60 3.17 0.76 4.98 0.74 -1.26 0.09 119.66 125.54 1ujr s GLN 42 Ca 0.33 -0.97 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1ujr s GLN 42 Cb -0.12 -2.82 0.14 0.00 1.10 0.00 0.00 33.01 31.31 1ujr s GLN 42 CO 0.26 0.15 1.05 0.71 -0.55 0.00 0.00 175.29 176.91 1ujr s TYR 43 N -2.14 1.49 0.02 1.67 2.02 -1.23 -4.93 117.35 114.25 1ujr s TYR 43 Ca 0.42 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 1ujr s TYR 43 Cb -0.09 -3.15 -0.08 0.00 -0.40 0.00 0.00 41.96 38.24 1ujr s TYR 43 CO 0.30 -1.89 1.07 0.22 -1.57 0.00 0.00 175.55 173.68 1ujr h ASP 44 N -0.71 -0.41 0.00 2.29 3.58 -1.99 -3.49 116.42 115.69 1ujr h ASP 44 Ca -0.37 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1ujr h ASP 44 Cb 1.26 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1ujr h ASP 44 CO 0.39 -0.27 0.00 1.21 -2.88 0.00 0.00 179.24 177.69 1ujr n GLU 45 N -3.47 0.00 0.10 0.28 2.13 -1.26 -4.99 120.64 113.42 1ujr n GLU 45 Ca -0.06 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 1ujr n GLU 45 Cb 0.19 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.82 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 -0.26 -0.92 5.31 3.08 -1.98 -1.98 114.38 117.63 1ujr h ARG 46 Ca 0.00 0.02 0.27 0.00 0.07 0.00 0.00 59.98 60.34 1ujr h ARG 46 Cb 0.00 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 29.94 1ujr h ARG 46 CO 0.00 0.10 0.08 2.41 -1.07 0.00 0.00 179.97 181.49 1ujr n THR 47 N -5.04 -0.39 -0.03 2.04 -1.04 -1.26 0.11 114.28 108.67 1ujr n THR 47 Ca -0.09 2.01 -0.13 0.00 -2.04 0.00 0.00 64.05 63.80 1ujr n THR 47 Cb 0.25 -2.97 -0.09 0.00 -1.82 0.00 0.00 70.33 65.69 1ujr n THR 47 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ujr h SER 48 N 0.00 0.17 -0.78 8.00 4.64 -1.91 -2.28 113.55 121.40 1ujr h SER 48 Ca 0.59 -0.52 0.23 0.00 -0.47 0.00 0.00 61.79 61.61 1ujr h SER 48 Cb 1.28 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1ujr h SER 48 CO -0.85 0.66 0.84 0.03 -0.87 0.00 0.00 176.83 176.65 1ujr h ARG 49 N -0.31 0.00 0.07 4.77 3.08 0.16 1.34 114.38 123.49 1ujr h ARG 49 Ca 0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.74 1ujr h ARG 49 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1ujr h ARG 49 CO 0.02 0.00 -1.77 0.93 -1.07 0.00 0.00 179.97 178.07 1ujr h GLU 50 N 0.00 0.14 -0.23 0.04 4.39 -0.87 -3.03 114.58 115.02 1ujr h GLU 50 Ca 0.37 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ujr h GLU 50 Cb 2.05 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1ujr h GLU 50 CO -0.00 0.88 0.11 -0.07 -1.16 0.00 0.00 179.01 178.77 1ujr h LEU 51 N 0.04 0.29 0.66 1.33 3.38 0.22 0.93 115.31 122.17 1ujr h LEU 51 Ca -0.33 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1ujr h LEU 51 Cb 2.02 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.70 1ujr h LEU 51 CO 0.10 0.32 -0.32 -0.08 0.09 0.00 0.00 178.44 178.55 1ujr h GLU 52 N 0.24 -0.86 -0.60 1.13 4.22 -1.02 0.12 114.58 117.81 1ujr h GLU 52 Ca 0.08 0.06 0.11 0.00 0.08 0.00 0.00 59.36 59.69 1ujr h GLU 52 Cb 0.10 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 1ujr h GLU 52 CO -0.01 -0.53 -0.27 -0.44 -2.18 0.00 0.00 179.01 175.58 1ujr h ASP 53 N -1.10 -0.93 0.00 1.04 5.19 -1.51 0.60 116.42 119.71 1ujr h ASP 53 Ca -0.09 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1ujr h ASP 53 Cb 0.72 0.50 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ujr h ASP 53 CO 0.15 -0.27 0.00 0.00 -3.12 0.00 0.00 179.24 176.00 1ujr n ALA 54 N -3.12 -0.41 -0.33 3.45 0.00 0.32 0.19 120.51 120.61 1ujr n ALA 54 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1ujr n ALA 54 Cb 0.35 0.08 0.13 0.00 0.00 0.00 0.00 19.45 20.01 1ujr n ALA 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ujr n PHE 55 N -2.11 0.34 0.36 0.00 7.35 0.40 0.14 117.46 123.94 1ujr n PHE 55 Ca 0.00 1.12 -0.15 0.00 -0.76 0.00 0.00 57.45 57.66 1ujr n PHE 55 Cb 0.00 -1.04 -0.07 0.00 0.35 0.00 0.00 39.48 38.72 1ujr n PHE 55 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ujr h SER 56 N 0.00 -0.81 -0.89 -2.13 0.87 0.40 -3.06 113.55 107.93 1ujr h SER 56 Ca 0.44 0.03 0.24 0.00 -1.23 0.00 0.00 61.79 61.28 1ujr h SER 56 Cb 0.68 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 62.71 1ujr h SER 56 CO -0.94 -0.46 0.25 0.11 -0.53 0.00 0.00 176.83 175.26 1ujr h LYS 57 N -1.20 0.19 0.00 2.24 1.57 0.43 -3.45 116.57 116.36 1ujr h LYS 57 Ca -0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ujr h LYS 57 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ujr h LYS 57 CO 0.16 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 1ujr n GLY 58 N -1.38 1.18 3.52 3.86 0.00 0.37 -5.06 105.19 107.68 1ujr n GLY 58 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.55 -0.26 1.61 5.02 -0.56 -4.75 118.16 119.76 1ujr n LYS 59 Ca 0.00 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 1ujr n LYS 59 Cb 0.00 -2.46 0.06 0.00 -0.02 0.00 0.00 35.03 32.61 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 15.57 0.97 -4.73 1.97 1.79 -1.92 -3.29 116.57 126.93 1ujr h LYS 60 Ca -0.15 -0.07 -0.62 0.00 -2.18 0.00 0.00 60.65 57.63 1ujr h LYS 60 Cb 1.29 -0.21 -0.36 0.00 -1.58 0.00 0.00 32.23 31.37 1ujr h LYS 60 CO 1.26 0.66 -0.84 0.54 -1.08 0.00 0.00 179.45 179.99 1ujr s ASN 61 N -5.90 2.81 -0.22 0.86 2.20 -1.26 0.30 114.94 113.72 1ujr s ASN 61 Ca -0.13 -0.54 -0.05 0.00 -0.94 0.00 0.00 52.86 51.20 1ujr s ASN 61 Cb 0.15 -1.24 -0.02 0.00 -2.00 0.00 0.00 41.25 38.14 1ujr s ASN 61 CO 0.78 -0.05 0.01 0.28 -2.94 0.00 0.00 177.10 175.18 1ujr s THR 62 N 1.45 3.89 -0.10 0.54 -1.32 0.13 -4.96 115.64 115.27 1ujr s THR 62 Ca 0.05 -0.32 -0.22 0.00 -1.21 0.00 0.00 61.69 59.98 1ujr s THR 62 Cb -0.13 -2.78 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 1ujr s THR 62 CO -0.11 0.40 0.67 -1.61 -2.21 0.00 0.00 174.62 171.76 1ujr s GLU 63 N 1.34 4.39 -0.07 7.08 8.01 -1.26 0.19 118.70 138.37 1ujr s GLU 63 Ca 0.04 0.80 0.03 0.00 0.01 0.00 0.00 54.97 55.85 1ujr s GLU 63 Cb -0.15 -3.47 0.01 0.00 -4.31 0.00 0.00 34.13 26.21 1ujr s GLU 63 CO 0.01 0.01 -0.15 0.00 0.01 0.00 0.00 175.26 175.14 1ujr s MET 64 N 1.01 2.05 -0.51 1.61 0.23 0.15 -4.94 119.30 118.91 1ujr s MET 64 Ca 0.35 -0.54 -0.17 0.00 -1.03 0.00 0.00 55.69 54.31 1ujr s MET 64 Cb -0.17 -1.64 0.08 0.00 -1.53 0.00 0.00 34.83 31.58 1ujr s MET 64 CO 0.16 0.07 0.50 -1.17 -2.03 0.00 0.00 175.02 172.55 1ujr s LEU 65 N 0.57 5.55 0.79 0.18 2.96 -1.26 0.31 118.68 127.78 1ujr s LEU 65 Ca -0.16 -1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 52.31 1ujr s LEU 65 Cb -0.16 -2.26 0.07 0.00 0.50 0.00 0.00 46.19 44.34 1ujr s LEU 65 CO 0.05 -0.79 1.16 -0.63 -1.32 0.00 0.00 176.35 174.82 1ujr s ILE 66 N 1.98 2.11 -0.93 6.68 -1.09 0.15 -4.81 121.20 125.28 1ujr s ILE 66 Ca 0.07 -0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.33 1ujr s ILE 66 Cb -0.24 -3.03 -0.27 0.00 -1.58 0.00 0.00 42.46 37.34 1ujr s ILE 66 CO 0.07 -0.03 2.28 0.00 -1.23 0.00 0.00 174.94 176.02 1ujr n ALA 67 N -3.26 0.85 -3.58 9.38 0.00 -1.26 0.29 120.51 122.93 1ujr n ALA 67 Ca 0.08 -0.93 -0.22 0.00 0.00 0.00 0.00 53.44 52.37 1ujr n ALA 67 Cb 0.61 -2.65 0.07 0.00 0.00 0.00 0.00 19.45 17.48 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 5.94 -0.45 3.02 0.00 0.00 -1.26 -4.98 105.19 107.46 1ujr n GLY 68 Ca 0.61 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.78 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 -3.37 -1.39 -0.30 1.61 0.08 0.15 -5.11 117.98 109.65 1ujr s PHE 69 Ca 0.32 0.73 -0.29 0.00 0.12 0.00 0.00 56.93 57.82 1ujr s PHE 69 Cb -0.14 0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.37 1ujr s PHE 69 CO 0.75 -1.01 1.77 -0.51 -0.10 0.00 0.00 175.22 176.11 1ujr s LEU 70 N 2.68 3.60 0.17 -0.37 2.01 -1.26 0.31 118.68 125.81 1ujr s LEU 70 Ca 0.10 1.40 0.10 0.00 0.01 0.00 0.00 54.13 55.75 1ujr s LEU 70 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.51 1ujr s LEU 70 CO -0.27 -1.60 -0.20 -0.31 1.01 0.00 0.00 176.35 174.97 1ujr s TYR 71 N 6.49 2.42 -0.13 0.29 2.02 0.15 0.27 117.35 128.85 1ujr s TYR 71 Ca 0.79 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1ujr s TYR 71 Cb -0.23 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1ujr s TYR 71 CO 0.33 0.46 0.01 0.08 -1.57 0.00 0.00 175.55 174.86 1ujr s VAL 72 N -1.50 0.51 -0.41 0.71 1.01 0.14 0.34 120.40 121.20 1ujr s VAL 72 Ca 0.20 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 1ujr s VAL 72 Cb -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1ujr s VAL 72 CO 0.11 0.04 0.51 0.00 0.00 0.00 0.00 175.10 175.76 1ujr s ALA 73 N 1.89 3.41 -0.41 5.51 0.00 0.13 0.26 121.76 132.55 1ujr s ALA 73 Ca 0.02 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 1ujr s ALA 73 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1ujr s ALA 73 CO -0.07 -1.55 0.42 0.34 0.00 0.00 0.00 175.76 174.90 1ujr s ASP 74 N 1.86 6.19 0.14 0.00 -1.08 0.16 0.22 116.67 124.15 1ujr s ASP 74 Ca 0.17 -0.60 0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1ujr s ASP 74 Cb -0.16 -2.22 -0.09 0.00 -1.46 0.00 0.00 42.92 38.99 1ujr s ASP 74 CO 0.15 -0.54 1.32 -0.07 0.52 0.00 0.00 175.17 176.55 1ujr h LEU 75 N 8.99 0.25 -0.76 -1.34 3.38 -0.38 0.54 115.31 125.99 1ujr h LEU 75 Ca -0.27 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 57.65 1ujr h LEU 75 Cb 1.12 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1ujr h LEU 75 CO 0.78 1.08 0.09 -0.33 0.09 0.00 0.00 178.44 180.14 1ujr h GLU 76 N 0.08 0.16 -0.01 1.13 4.39 -1.86 0.18 114.58 118.66 1ujr h GLU 76 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1ujr h GLU 76 Cb 1.64 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1ujr h GLU 76 CO 0.15 0.11 -0.43 0.09 -1.16 0.00 0.00 179.01 177.77 1ujr n ASN 77 N -5.27 1.84 -2.63 1.42 4.13 -1.23 -4.97 115.26 108.55 1ujr n ASN 77 Ca 0.15 -1.42 -0.19 0.00 1.68 0.00 0.00 54.58 54.80 1ujr n ASN 77 Cb 0.50 0.49 0.04 0.00 -1.54 0.00 0.00 39.78 39.26 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1ujr n MET 78 N -0.09 -4.59 -4.00 3.52 2.81 0.63 -4.91 117.12 110.49 1ujr n MET 78 Ca 0.08 0.74 -0.11 0.00 -1.81 0.00 0.00 57.70 56.60 1ujr n MET 78 Cb 0.41 -5.28 -0.12 0.00 -0.71 0.00 0.00 33.22 27.52 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ujr s VAL 79 N -3.11 0.23 -0.16 2.03 -7.23 0.16 0.28 120.40 112.60 1ujr s VAL 79 Ca 0.30 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1ujr s VAL 79 Cb -0.13 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.49 1ujr s VAL 79 CO 0.37 -0.30 -0.10 0.00 -0.31 0.00 0.00 175.10 174.76 1ujr s GLN 80 N -1.04 3.38 0.16 4.82 -2.07 0.99 0.36 119.66 126.25 1ujr s GLN 80 Ca -0.09 -0.66 0.09 0.00 -1.82 0.00 0.00 55.36 52.88 1ujr s GLN 80 Cb -0.07 -2.77 -0.04 0.00 -1.09 0.00 0.00 33.01 29.04 1ujr s GLN 80 CO -0.00 0.06 -0.20 1.52 -1.32 0.00 0.00 175.29 175.34 1ujr s TYR 81 N 0.78 1.94 0.18 9.60 -0.85 0.14 0.34 117.35 129.48 1ujr s TYR 81 Ca -0.04 -0.43 -0.31 0.00 -0.52 0.00 0.00 57.07 55.77 1ujr s TYR 81 Cb -0.15 -0.99 -0.09 0.00 0.38 0.00 0.00 41.96 41.11 1ujr s TYR 81 CO 0.01 0.35 1.46 0.50 -1.52 0.00 0.00 175.55 176.35 1ujr s ARG 82 N -2.57 4.27 0.09 -3.49 3.52 0.90 0.27 118.95 121.95 1ujr s ARG 82 Ca 0.15 2.24 -0.21 0.00 -0.13 0.00 0.00 55.73 57.78 1ujr s ARG 82 Cb -0.07 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 1ujr s ARG 82 CO 0.07 -0.48 1.36 -0.09 -0.81 0.00 0.00 175.30 175.35 1ujr h ARG 83 N 6.18 -0.22 0.45 5.12 2.43 -0.45 -1.94 114.38 125.95 1ujr h ARG 83 Ca -0.44 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1ujr h ARG 83 Cb 1.21 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1ujr h ARG 83 CO 0.85 -0.15 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.04 1ujr h ASN 84 N -0.23 -0.51 -1.83 -3.80 2.35 -1.92 -3.36 115.58 106.28 1ujr h ASN 84 Ca 0.05 -0.08 -0.70 0.00 -0.55 0.00 0.00 56.30 55.02 1ujr h ASN 84 Cb 0.38 0.13 -0.15 0.00 0.05 0.00 0.00 38.32 38.73 1ujr h ASN 84 CO -0.42 -0.11 1.46 -1.61 -1.65 0.00 0.00 177.43 175.10 1ujr s GLU 85 N -4.19 3.93 0.43 0.81 2.02 -1.11 -4.79 118.70 115.81 1ujr s GLU 85 Ca -0.12 -2.17 0.09 0.00 0.02 0.00 0.00 54.97 52.78 1ujr s GLU 85 Cb 0.01 -5.17 0.93 0.00 0.10 0.00 0.00 34.13 30.01 1ujr s GLU 85 CO 0.42 -1.92 2.06 1.25 0.02 0.00 0.00 175.26 177.10 1ujr h HIS 86 N 7.79 0.44 -0.04 1.61 -0.00 -1.51 -2.45 115.15 120.99 1ujr h HIS 86 Ca 0.31 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.72 1ujr h HIS 86 Cb 0.91 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.12 1ujr h HIS 86 CO 1.20 0.27 -0.30 0.78 -0.00 0.00 0.00 177.93 179.88 1ujr h GLY 87 N 0.47 -0.47 -6.74 5.26 0.00 -1.86 -3.39 103.07 96.34 1ujr h GLY 87 Ca 0.15 0.37 -0.58 0.00 0.00 0.00 0.00 47.33 47.27 1ujr h GLY 87 CO -0.03 -0.22 1.33 0.50 0.00 0.00 0.00 176.54 178.11 1ujr s ARG 88 N -6.02 3.37 0.15 4.80 1.81 -0.96 -4.93 118.95 117.17 1ujr s ARG 88 Ca -0.15 1.72 -0.13 0.00 -1.72 0.00 0.00 55.73 55.44 1ujr s ARG 88 Cb 0.09 -4.23 0.01 0.00 -0.45 0.00 0.00 34.95 30.38 1ujr s ARG 88 CO 0.66 -1.82 0.37 -0.98 -0.68 0.00 0.00 175.30 172.85 1ujr s ARG 89 N 5.70 1.17 0.02 3.54 1.70 -1.26 -0.07 118.95 129.76 1ujr s ARG 89 Ca 0.86 -0.94 -0.04 0.00 -0.47 0.00 0.00 55.73 55.14 1ujr s ARG 89 Cb -0.27 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1ujr s ARG 89 CO 0.34 -0.45 0.07 1.03 -1.08 0.00 0.00 175.30 175.20 1ujr s ARG 90 N -3.88 0.49 0.55 3.89 1.81 0.15 -4.94 118.95 117.01 1ujr s ARG 90 Ca 0.10 -0.65 -0.19 0.00 -1.72 0.00 0.00 55.73 53.27 1ujr s ARG 90 Cb 0.02 0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.65 1ujr s ARG 90 CO -0.05 -0.11 1.11 0.15 -0.68 0.00 0.00 175.30 175.72 1ujr s LYS 91 N -2.04 3.34 0.04 3.54 1.02 -1.26 -0.01 119.74 124.37 1ujr s LYS 91 Ca -0.10 1.54 0.01 0.00 0.02 0.00 0.00 55.97 57.44 1ujr s LYS 91 Cb -0.05 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1ujr s LYS 91 CO -0.02 -0.84 -0.05 0.96 -0.92 0.00 0.00 175.35 174.48 1ujr s ILE 92 N -1.89 0.30 0.14 2.17 -4.36 0.14 0.19 121.20 117.89 1ujr s ILE 92 Ca 0.71 -1.17 -0.13 0.00 -0.26 0.00 0.00 60.65 59.81 1ujr s ILE 92 Cb -0.22 -0.65 0.01 0.00 1.25 0.00 0.00 42.46 42.85 1ujr s ILE 92 CO 0.28 -0.57 0.35 -1.59 0.24 0.00 0.00 174.94 173.66 1ujr s LYS 93 N -2.03 1.11 -0.28 0.37 -2.85 0.12 -4.66 119.74 111.52 1ujr s LYS 93 Ca -0.09 -0.92 -0.05 0.00 -1.00 0.00 0.00 55.97 53.92 1ujr s LYS 93 Cb -0.06 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1ujr s LYS 93 CO -0.02 -0.42 0.03 0.50 0.10 0.00 0.00 175.35 175.53 1ujr s ARG 94 N -3.87 2.98 0.50 1.78 3.52 -1.26 0.06 118.95 122.65 1ujr s ARG 94 Ca 0.08 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 1ujr s ARG 94 Cb 0.02 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1ujr s ARG 94 CO -0.07 -0.43 0.03 0.34 -0.81 0.00 0.00 175.30 174.36 1ujr s ASP 95 N 1.43 3.87 -0.04 -2.12 2.15 0.11 -4.98 116.67 117.09 1ujr s ASP 95 Ca 0.01 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.32 1ujr s ASP 95 Cb -0.17 0.58 0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1ujr s ASP 95 CO -0.00 -0.90 -0.01 0.27 -0.17 0.00 0.00 175.17 174.36 1ujr s ILE 96 N -2.95 0.30 0.00 4.11 -4.36 -1.26 0.33 121.20 117.37 1ujr s ILE 96 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1ujr s ILE 96 Cb 0.01 -0.39 0.00 0.00 1.25 0.00 0.00 42.46 43.34 1ujr s ILE 96 CO 0.05 0.18 0.00 -0.38 0.24 0.00 0.00 174.94 175.03 1ujr n ILE 97 N 4.21 0.00 -3.43 8.37 5.41 0.95 -4.39 119.36 130.49 1ujr n ILE 97 Ca -0.24 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.25 1ujr n ILE 97 Cb 0.50 -1.29 -0.09 0.00 -0.71 0.00 0.00 39.64 38.06 1ujr n ILE 97 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ujr n ASP 98 N -2.95 1.45 -4.40 4.38 2.03 -1.12 0.19 116.55 116.13 1ujr n ASP 98 Ca 0.00 -2.90 -0.32 0.00 0.52 0.00 0.00 54.79 52.09 1ujr n ASP 98 Cb 0.00 -0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 39.61 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ujr s ILE 99 N -1.27 2.56 -0.57 5.18 -1.09 -1.26 -4.87 121.20 119.88 1ujr s ILE 99 Ca 0.34 -0.98 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1ujr s ILE 99 Cb 0.10 -1.97 -0.14 0.00 -1.58 0.00 0.00 42.46 38.86 1ujr s ILE 99 CO -0.12 0.54 2.68 -0.81 -1.23 0.00 0.00 174.94 176.00 1ujr n PRO 100 N 2.22 2.10 -0.02 2.79 -0.04 -1.26 -4.19 135.00 136.61 1ujr n PRO 100 Ca -0.17 -1.23 -0.02 0.00 -0.04 0.00 0.00 63.50 62.05 1ujr n PRO 100 Cb 0.52 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1ujr n PRO 100 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ujr n LYS 101 N 3.23 0.10 -0.45 0.54 3.00 -1.26 -4.34 118.16 118.98 1ujr n LYS 101 Ca 0.45 0.10 0.38 0.00 -0.00 0.00 0.00 58.31 59.24 1ujr n LYS 101 Cb 0.45 -0.73 0.66 0.00 0.00 0.00 0.00 35.03 35.40 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 -0.19 0.05 -0.34 1.64 3.64 -1.94 0.50 116.57 119.94 1ujr h LYS 102 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1ujr h LYS 102 Cb 0.17 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 1ujr h LYS 102 CO 0.00 0.04 -0.35 0.78 -2.27 0.00 0.00 179.45 177.64 1ujr h GLY 103 N 0.06 -0.37 0.00 5.01 0.00 -1.85 -3.44 103.07 102.48 1ujr h GLY 103 Ca 0.85 0.44 0.00 0.00 0.00 0.00 0.00 47.33 48.62 1ujr h GLY 103 CO -0.45 -0.21 0.00 -0.62 0.00 0.00 0.00 176.54 175.27 1ujr n VAL 104 N -5.42 0.00 0.00 4.60 0.31 0.18 -3.28 118.33 114.71 1ujr n VAL 104 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ujr n VAL 104 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1ujr n VAL 104 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ujr n SER 105 N 1.60 0.00 0.00 4.52 3.41 -1.26 -5.08 113.62 116.81 1ujr n SER 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ujr n SER 105 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ujr n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujr n GLY 106 N 0.00 4.65 3.76 5.00 0.00 -1.21 -5.12 105.19 112.27 1ujr n GLY 106 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1ujr n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujr s PRO 107 N -3.85 4.53 0.45 1.61 0.04 -1.26 -5.06 135.00 131.46 1ujr s PRO 107 Ca 0.00 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1ujr s PRO 107 Cb 0.00 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1ujr s PRO 107 CO 0.00 0.14 0.26 -1.54 0.04 0.00 0.00 177.00 175.90 1ujr s SER 108 N -1.09 4.57 0.27 6.66 1.04 -1.26 -5.15 113.70 118.75 1ujr s SER 108 Ca 0.48 -1.08 0.11 0.00 0.48 0.00 0.00 55.95 55.94 1ujr s SER 108 Cb -0.29 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.53 1ujr s SER 108 CO 0.37 -0.70 -0.13 -0.94 0.98 0.00 0.00 173.24 172.82 1ujr s SER 109 N -4.03 3.94 0.00 7.02 1.04 -1.26 -5.32 113.70 115.09 1ujr s SER 109 Ca 0.39 -0.89 0.24 0.00 0.48 0.00 0.00 55.95 56.17 1ujr s SER 109 Cb 0.01 -0.50 0.20 0.00 0.10 0.00 0.00 66.02 65.83 1ujr s SER 109 CO 0.22 0.03 1.27 0.61 0.98 0.00 0.00 173.24 176.35