#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 -0.21 0.00 3.54 0.01 -1.26 -5.19 113.70 110.59 1ujr s SER 2 Ca 0.00 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1ujr s SER 2 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1ujr s SER 2 CO 0.00 -0.34 0.00 -1.20 0.41 0.00 0.00 173.24 172.11 1ujr n SER 3 N -0.05 0.00 -3.58 2.44 7.64 -1.26 -5.19 113.62 113.61 1ujr n SER 3 Ca -0.03 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 1ujr n SER 3 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1ujr n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujr s GLY 4 N 0.00 0.13 0.05 0.23 0.00 -1.26 -5.19 107.32 101.29 1ujr s GLY 4 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 1ujr s GLY 4 CO 0.00 -0.22 1.10 -1.35 0.00 0.00 0.00 173.10 172.63 1ujr s SER 5 N -2.98 -0.14 -0.10 1.64 1.04 -1.26 -5.19 113.70 106.71 1ujr s SER 5 Ca 0.14 -0.24 -0.33 0.00 0.48 0.00 0.00 55.95 56.00 1ujr s SER 5 Cb -0.05 0.33 0.14 0.00 0.10 0.00 0.00 66.02 66.53 1ujr s SER 5 CO 0.09 -0.60 1.32 -0.94 0.98 0.00 0.00 173.24 174.09 1ujr s SER 6 N -2.87 -0.05 0.00 7.02 1.04 -1.26 -5.18 113.70 112.40 1ujr s SER 6 Ca 0.12 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1ujr s SER 6 Cb 0.01 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1ujr s SER 6 CO -0.02 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1ujr n GLY 7 N -0.36 3.77 3.62 7.32 0.00 -1.26 -5.19 105.19 113.08 1ujr n GLY 7 Ca -0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1ujr n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ujr s PHE 8 N -0.28 -0.17 -0.36 1.61 5.36 -1.26 -5.13 117.98 117.75 1ujr s PHE 8 Ca 0.00 0.28 0.06 0.00 -0.96 0.00 0.00 56.93 56.31 1ujr s PHE 8 Cb 0.00 0.48 0.18 0.00 -0.34 0.00 0.00 43.02 43.33 1ujr s PHE 8 CO 0.00 -0.16 0.53 -1.17 -1.46 0.00 0.00 175.22 172.96 1ujr s LEU 9 N -1.11 -1.14 -0.30 6.12 0.20 -1.26 -5.12 118.68 116.08 1ujr s LEU 9 Ca 0.05 -0.67 -0.17 0.00 0.69 0.00 0.00 54.13 54.03 1ujr s LEU 9 Cb -0.01 1.56 0.19 0.00 -0.43 0.00 0.00 46.19 47.50 1ujr s LEU 9 CO -0.04 -0.25 1.16 -0.62 -0.29 0.00 0.00 176.35 176.32 1ujr s ASP 10 N 2.09 -0.24 -0.40 3.68 2.15 -1.26 -5.09 116.67 117.60 1ujr s ASP 10 Ca 0.14 0.36 0.08 0.00 0.43 0.00 0.00 52.55 53.56 1ujr s ASP 10 Cb -0.09 1.18 0.25 0.00 -0.30 0.00 0.00 42.92 43.96 1ujr s ASP 10 CO -0.14 -0.05 0.53 0.29 -0.17 0.00 0.00 175.17 175.62 1ujr n LYS 11 N 3.91 0.76 0.00 4.34 4.01 -1.26 -5.12 118.16 124.80 1ujr n LYS 11 Ca -0.13 -3.26 0.00 0.00 -0.51 0.00 0.00 58.31 54.41 1ujr n LYS 11 Cb 0.56 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 1ujr n LYS 11 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1ujr n PRO 12 N 1.40 -0.40 0.19 1.97 -0.04 -1.26 -5.04 135.00 131.81 1ujr n PRO 12 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1ujr n PRO 12 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.12 0.00 -1.99 0.52 5.66 -1.26 -5.17 114.28 109.92 1ujr n THR 13 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 1ujr n THR 13 Cb 0.00 -0.09 -0.04 0.00 -1.55 0.00 0.00 70.33 68.66 1ujr n THR 13 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ujr n LEU 14 N -3.33 0.00 -4.35 1.09 4.77 -1.26 -4.82 117.00 109.10 1ujr n LEU 14 Ca 0.00 1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.90 1ujr n LEU 14 Cb 0.00 -3.43 0.28 0.00 -2.33 0.00 0.00 43.42 37.94 1ujr n LEU 14 CO 0.00 -2.48 0.45 -0.76 -1.33 0.00 0.00 177.39 173.26 1ujr s LEU 15 N 0.00 -0.75 0.77 2.23 1.43 -1.26 -5.00 118.68 116.11 1ujr s LEU 15 Ca 0.00 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1ujr s LEU 15 Cb 0.00 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.94 1ujr s LEU 15 CO 0.00 -5.14 1.10 -0.44 0.23 0.00 0.00 176.35 172.10 1ujr s SER 16 N -3.24 4.77 0.44 2.29 0.01 -1.26 -4.96 113.70 111.75 1ujr s SER 16 Ca 0.69 1.23 0.24 0.00 1.31 0.00 0.00 55.95 59.42 1ujr s SER 16 Cb -0.13 -1.97 0.72 0.00 0.21 0.00 0.00 66.02 64.85 1ujr s SER 16 CO 0.58 -1.78 1.74 1.55 0.41 0.00 0.00 173.24 175.73 1ujr h PRO 17 N -0.96 0.00 0.13 12.44 0.13 -1.96 -3.06 132.00 138.73 1ujr h PRO 17 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1ujr h PRO 17 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1ujr h PRO 17 CO 0.61 0.16 -0.81 0.93 -0.23 0.00 0.00 178.00 178.66 1ujr h GLU 18 N 0.00 0.29 -0.16 0.86 5.08 -2.01 -3.24 114.58 115.40 1ujr h GLU 18 Ca -0.00 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1ujr h GLU 18 Cb 0.87 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 1ujr h GLU 18 CO 0.02 1.23 -0.20 0.93 -1.00 0.00 0.00 179.01 180.00 1ujr h GLU 19 N -0.40 -0.22 -0.30 2.33 3.07 -1.94 -2.18 114.58 114.94 1ujr h GLU 19 Ca -0.14 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1ujr h GLU 19 Cb 1.62 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 29.51 1ujr h GLU 19 CO 0.14 -0.15 -0.54 1.25 -1.40 0.00 0.00 179.01 178.31 1ujr h LEU 20 N -0.23 -1.77 -0.97 1.33 6.46 -1.66 0.45 115.31 118.91 1ujr h LEU 20 Ca 0.11 0.23 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 1ujr h LEU 20 Cb 0.40 0.72 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 1ujr h LEU 20 CO -0.30 -0.43 -0.45 0.11 -0.62 0.00 0.00 178.44 176.75 1ujr h LYS 21 N -0.47 -0.02 0.49 1.25 1.57 -1.46 1.00 116.57 118.93 1ujr h LYS 21 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ujr h LYS 21 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1ujr h LYS 21 CO -0.53 -0.01 -0.45 0.00 -0.57 0.00 0.00 179.45 177.89 1ujr h ALA 22 N 1.07 -1.02 -0.86 3.86 0.00 -0.48 -1.85 119.26 119.98 1ujr h ALA 22 Ca 0.28 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.24 1ujr h ALA 22 Cb 0.54 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1ujr h ALA 22 CO -0.95 -1.11 0.16 0.00 0.00 0.00 0.00 179.25 177.35 1ujr h ALA 23 N -0.68 1.14 -0.93 0.00 0.00 0.27 0.80 119.26 119.86 1ujr h ALA 23 Ca -0.05 0.24 0.26 0.00 0.00 0.00 0.00 54.91 55.36 1ujr h ALA 23 Cb 0.81 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1ujr h ALA 23 CO -0.04 -0.47 0.36 0.77 0.00 0.00 0.00 179.25 179.87 1ujr h SER 24 N 0.16 0.20 -0.23 0.00 0.02 0.17 1.62 113.55 115.49 1ujr h SER 24 Ca 0.52 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.73 1ujr h SER 24 Cb 1.03 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1ujr h SER 24 CO -0.69 -0.14 0.57 0.03 -1.14 0.00 0.00 176.83 175.47 1ujr h ARG 25 N 0.27 0.00 -0.08 3.45 3.08 0.82 -1.77 114.38 120.14 1ujr h ARG 25 Ca 0.62 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.68 1ujr h ARG 25 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1ujr h ARG 25 CO -0.63 0.00 -0.14 0.78 -1.07 0.00 0.00 179.97 178.91 1ujr h GLY 26 N 0.00 -1.62 0.00 0.04 0.00 0.23 -3.39 103.07 98.33 1ujr h GLY 26 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1ujr h GLY 26 CO -0.00 -0.56 -0.57 0.70 0.00 0.00 0.00 176.54 176.11 1ujr n ASN 27 N -3.34 1.17 -1.62 0.19 4.13 -0.89 -4.85 115.26 110.06 1ujr n ASN 27 Ca -0.01 0.20 -0.00 0.00 1.68 0.00 0.00 54.58 56.44 1ujr n ASN 27 Cb 0.09 -0.61 -0.00 0.00 -1.54 0.00 0.00 39.78 37.71 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujr n GLY 28 N 1.65 -3.05 1.81 7.41 0.00 -0.72 -5.04 105.19 107.25 1ujr n GLY 28 Ca -0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.11 0.55 -3.78 1.61 -0.58 0.11 -4.91 120.64 113.74 1ujr n GLU 29 Ca -0.02 -1.87 -0.37 0.00 -0.42 0.00 0.00 57.16 54.49 1ujr n GLU 29 Cb 0.02 1.20 -0.06 0.00 -0.57 0.00 0.00 31.44 32.03 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1ujr s TYR 30 N -2.52 3.57 0.02 -0.32 -0.85 -1.26 0.09 117.35 116.08 1ujr s TYR 30 Ca 0.15 0.55 0.00 0.00 -0.52 0.00 0.00 57.07 57.26 1ujr s TYR 30 Cb 0.01 -2.06 -0.02 0.00 0.38 0.00 0.00 41.96 40.27 1ujr s TYR 30 CO 0.11 0.60 -0.03 0.00 -1.52 0.00 0.00 175.55 174.70 1ujr s ALA 31 N -0.64 0.19 0.13 9.51 0.00 0.11 -4.83 121.76 126.23 1ujr s ALA 31 Ca 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1ujr s ALA 31 Cb -0.12 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ujr s ALA 31 CO 0.04 -0.09 0.24 -1.58 0.00 0.00 0.00 175.76 174.37 1ujr s TRP 32 N -1.05 3.42 -0.07 0.00 0.52 -1.26 0.10 118.94 120.60 1ujr s TRP 32 Ca -0.10 0.12 -0.03 0.00 0.02 0.00 0.00 56.10 56.10 1ujr s TRP 32 Cb -0.07 -1.66 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1ujr s TRP 32 CO -0.01 0.53 0.16 0.71 0.02 0.00 0.00 176.95 178.36 1ujr s TYR 33 N -1.68 -0.18 -0.05 -1.98 2.02 0.18 -3.91 117.35 111.75 1ujr s TYR 33 Ca 0.34 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.55 1ujr s TYR 33 Cb -0.11 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 1ujr s TYR 33 CO 0.27 -0.18 0.05 1.52 -1.57 0.00 0.00 175.55 175.64 1ujr s TYR 34 N 1.21 3.24 -0.37 2.71 -0.85 0.14 0.19 117.35 123.63 1ujr s TYR 34 Ca -0.09 0.22 -0.39 0.00 -0.52 0.00 0.00 57.07 56.29 1ujr s TYR 34 Cb -0.11 -1.77 -0.14 0.00 0.38 0.00 0.00 41.96 40.31 1ujr s TYR 34 CO -0.06 0.53 2.06 -1.91 -1.52 0.00 0.00 175.55 174.64 1ujr n GLU 35 N 1.65 0.83 -4.36 -3.49 2.13 0.13 -0.10 120.64 117.43 1ujr n GLU 35 Ca -0.16 0.25 -0.29 0.00 0.66 0.00 0.00 57.16 57.62 1ujr n GLU 35 Cb 0.53 -2.13 -0.06 0.00 0.27 0.00 0.00 31.44 30.05 1ujr n GLU 35 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ujr s GLY 36 N 5.99 2.65 0.08 8.31 0.00 0.14 -4.78 107.32 119.71 1ujr s GLY 36 Ca 1.09 -1.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.35 1ujr s GLY 36 CO 0.58 -2.06 1.49 3.21 0.00 0.00 0.00 173.10 176.32 1ujr h ARG 37 N 1.22 -0.78 -0.17 2.90 2.47 -1.93 0.17 114.38 118.26 1ujr h ARG 37 Ca -0.42 0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.41 1ujr h ARG 37 Cb 1.29 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.78 1ujr h ARG 37 CO 0.69 -0.52 0.19 -0.97 0.56 0.00 0.00 179.97 179.92 1ujr h ASN 38 N -0.81 0.00 0.00 7.04 -0.73 -1.99 -3.45 115.58 115.64 1ujr h ASN 38 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1ujr h ASN 38 Cb 0.73 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.32 1ujr h ASN 38 CO -0.12 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.55 1ujr n GLY 39 N -1.40 1.13 2.84 1.57 0.00 0.05 -5.10 105.19 104.29 1ujr n GLY 39 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.03 0.07 1.61 0.52 -1.26 0.28 118.94 120.21 1ujr s TRP 40 Ca 0.00 0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.23 1ujr s TRP 40 Cb 0.00 -0.09 -0.03 0.00 -1.15 0.00 0.00 33.47 32.20 1ujr s TRP 40 CO 0.00 -0.03 -0.20 -1.58 0.02 0.00 0.00 176.95 175.16 1ujr s TRP 41 N 0.32 1.76 0.44 -1.98 0.52 0.86 -4.67 118.94 116.19 1ujr s TRP 41 Ca -0.03 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 1ujr s TRP 41 Cb -0.04 -1.01 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1ujr s TRP 41 CO -0.01 0.15 0.70 -1.14 0.02 0.00 0.00 176.95 176.67 1ujr s GLN 42 N -1.57 3.33 0.33 4.98 0.74 -1.26 0.24 119.66 126.46 1ujr s GLN 42 Ca 0.06 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.30 1ujr s GLN 42 Cb -0.09 -2.50 0.07 0.00 1.10 0.00 0.00 33.01 31.58 1ujr s GLN 42 CO 0.03 -0.17 0.45 0.66 -0.55 0.00 0.00 175.29 175.71 1ujr n TYR 43 N -2.11 -3.30 0.00 1.67 4.01 -1.25 -4.91 117.16 111.28 1ujr n TYR 43 Ca -0.00 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 1ujr n TYR 43 Cb 0.56 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1ujr n TYR 43 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ujr n ASP 44 N -3.01 0.00 0.00 7.72 2.03 -1.26 -4.97 116.55 117.05 1ujr n ASP 44 Ca 0.07 0.63 0.00 0.00 0.52 0.00 0.00 54.79 56.01 1ujr n ASP 44 Cb 0.26 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -0.98 0.00 -0.02 -0.67 2.13 -1.26 -4.99 120.64 114.84 1ujr n GLU 45 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1ujr n GLU 45 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 -1.76 5.31 2.47 -1.98 -2.19 114.38 116.16 1ujr h ARG 46 Ca 0.00 0.00 0.53 0.00 -1.26 0.00 0.00 59.98 59.25 1ujr h ARG 46 Cb 0.00 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.24 1ujr h ARG 46 CO 0.00 0.42 1.24 1.15 0.56 0.00 0.00 179.97 183.34 1ujr h THR 47 N -0.96 0.05 0.13 2.04 2.02 -1.97 1.33 112.91 115.54 1ujr h THR 47 Ca -0.01 -0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.89 1ujr h THR 47 Cb 0.51 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ujr h THR 47 CO 0.01 0.00 -1.42 0.77 0.37 0.00 0.00 175.52 175.26 1ujr h SER 48 N 0.01 0.43 -0.79 4.18 4.64 -1.95 -3.27 113.55 116.80 1ujr h SER 48 Ca 0.89 -0.88 0.23 0.00 -0.47 0.00 0.00 61.79 61.57 1ujr h SER 48 Cb 3.40 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 65.32 1ujr h SER 48 CO -0.13 1.63 0.68 0.03 -0.87 0.00 0.00 176.83 178.17 1ujr h ARG 49 N -0.24 0.00 0.03 4.77 3.08 0.24 1.13 114.38 123.39 1ujr h ARG 49 Ca -0.30 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.52 1ujr h ARG 49 Cb 1.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.84 1ujr h ARG 49 CO 0.09 0.00 -1.09 0.93 -1.07 0.00 0.00 179.97 178.82 1ujr h GLU 50 N 0.00 0.07 -0.95 0.04 4.39 -1.27 -2.88 114.58 113.98 1ujr h GLU 50 Ca 0.38 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1ujr h GLU 50 Cb 1.73 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.38 1ujr h GLU 50 CO -0.00 1.04 0.62 -0.07 -1.16 0.00 0.00 179.01 179.43 1ujr h LEU 51 N 0.02 1.11 0.46 1.33 3.38 0.13 -0.67 115.31 121.06 1ujr h LEU 51 Ca -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ujr h LEU 51 Cb 1.83 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ujr h LEU 51 CO 0.15 0.81 -0.22 -0.08 0.09 0.00 0.00 178.44 179.19 1ujr h GLU 52 N 1.30 -0.60 -0.91 1.13 4.57 -1.47 0.38 114.58 118.98 1ujr h GLU 52 Ca 0.35 0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.80 1ujr h GLU 52 Cb -0.13 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 28.43 1ujr h GLU 52 CO -0.07 -0.35 0.03 0.22 -1.18 0.00 0.00 179.01 177.66 1ujr h ASP 53 N -1.11 -0.41 0.20 1.04 3.58 -1.41 1.48 116.42 119.80 1ujr h ASP 53 Ca -0.06 0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1ujr h ASP 53 Cb 0.53 0.43 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1ujr h ASP 53 CO 0.10 -0.28 -0.10 0.00 -2.88 0.00 0.00 179.24 176.08 1ujr h ALA 54 N 1.88 -0.27 -0.80 -0.78 0.00 -1.13 0.33 119.26 118.49 1ujr h ALA 54 Ca 0.54 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.41 1ujr h ALA 54 Cb 1.05 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1ujr h ALA 54 CO -0.83 -0.42 0.29 0.35 0.00 0.00 0.00 179.25 178.65 1ujr h PHE 55 N -0.75 0.48 0.30 0.00 3.57 0.29 0.96 116.94 121.79 1ujr h PHE 55 Ca -0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1ujr h PHE 55 Cb 0.50 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1ujr h PHE 55 CO 0.06 -0.02 -0.15 1.03 -2.23 0.00 0.00 178.31 177.00 1ujr h SER 56 N 0.38 -0.35 -1.43 0.41 0.87 0.19 -3.19 113.55 110.43 1ujr h SER 56 Ca 0.46 0.01 0.48 0.00 -1.23 0.00 0.00 61.79 61.52 1ujr h SER 56 Cb 0.79 0.09 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 1ujr h SER 56 CO -0.48 -0.00 0.93 0.11 -0.53 0.00 0.00 176.83 176.86 1ujr h LYS 57 N -0.90 0.02 0.00 2.24 1.57 -0.01 -3.43 116.57 116.06 1ujr h LYS 57 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ujr h LYS 57 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ujr h LYS 57 CO 0.07 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 1ujr n GLY 58 N -1.56 1.20 3.54 3.86 0.00 0.92 -5.06 105.19 108.09 1ujr n GLY 58 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 0.65 0.16 1.61 5.02 0.30 -4.70 118.16 121.19 1ujr n LYS 59 Ca 0.00 -0.13 0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1ujr n LYS 59 Cb 0.00 -2.86 0.66 0.00 -0.02 0.00 0.00 35.03 32.80 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 16.25 0.00 -2.01 1.97 6.56 -1.91 -3.31 116.57 134.13 1ujr h LYS 60 Ca -0.14 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1ujr h LYS 60 Cb 1.23 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.71 1ujr h LYS 60 CO 1.22 0.00 0.45 0.54 -2.06 0.00 0.00 179.45 179.60 1ujr s ASN 61 N -4.53 -0.43 0.07 0.86 2.20 -1.26 0.24 114.94 112.09 1ujr s ASN 61 Ca -0.03 0.27 0.05 0.00 -0.94 0.00 0.00 52.86 52.21 1ujr s ASN 61 Cb 0.11 0.39 -0.03 0.00 -2.00 0.00 0.00 41.25 39.73 1ujr s ASN 61 CO 0.39 -0.54 -0.14 0.28 -2.94 0.00 0.00 177.10 174.16 1ujr s THR 62 N -2.07 1.08 -0.21 0.54 -1.32 0.16 -4.96 115.64 108.85 1ujr s THR 62 Ca -0.00 -1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.03 1ujr s THR 62 Cb -0.01 -1.08 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 1ujr s THR 62 CO -0.02 -0.26 0.19 -1.61 -2.21 0.00 0.00 174.62 170.71 1ujr s GLU 63 N -1.83 4.14 0.16 7.08 8.01 -1.26 0.13 118.70 135.13 1ujr s GLU 63 Ca -0.02 -0.16 0.10 0.00 0.01 0.00 0.00 54.97 54.90 1ujr s GLU 63 Cb -0.09 -3.49 -0.04 0.00 -4.31 0.00 0.00 34.13 26.20 1ujr s GLU 63 CO 0.02 0.15 -0.23 0.00 0.01 0.00 0.00 175.26 175.21 1ujr s MET 64 N 0.79 1.37 -0.33 1.61 0.23 0.15 -4.97 119.30 118.15 1ujr s MET 64 Ca 0.10 -1.40 0.00 0.00 -1.03 0.00 0.00 55.69 53.37 1ujr s MET 64 Cb -0.13 -1.66 0.08 0.00 -1.53 0.00 0.00 34.83 31.59 1ujr s MET 64 CO 0.03 0.37 0.04 -1.17 -2.03 0.00 0.00 175.02 172.25 1ujr s LEU 65 N -2.40 4.34 0.76 0.18 2.96 -1.26 0.07 118.68 123.33 1ujr s LEU 65 Ca 0.16 -1.70 -0.06 0.00 -0.22 0.00 0.00 54.13 52.31 1ujr s LEU 65 Cb -0.08 -1.68 0.11 0.00 0.50 0.00 0.00 46.19 45.04 1ujr s LEU 65 CO 0.07 -0.34 1.06 -0.63 -1.32 0.00 0.00 176.35 175.19 1ujr s ILE 66 N 1.11 2.19 -0.99 6.68 -1.09 0.14 -4.83 121.20 124.40 1ujr s ILE 66 Ca 0.01 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 1ujr s ILE 66 Cb -0.20 -2.85 -0.31 0.00 -1.58 0.00 0.00 42.46 37.52 1ujr s ILE 66 CO -0.04 0.00 2.28 0.00 -1.23 0.00 0.00 174.94 175.95 1ujr n ALA 67 N -3.05 0.93 -3.95 9.38 0.00 -1.26 0.39 120.51 122.95 1ujr n ALA 67 Ca 0.12 -0.70 -0.26 0.00 0.00 0.00 0.00 53.44 52.60 1ujr n ALA 67 Cb 0.60 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 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 5.76 -0.24 3.07 0.00 0.00 -1.26 -4.95 105.19 107.56 1ujr n GLY 68 Ca 0.67 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 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 -3.89 -1.17 -0.31 1.61 0.08 0.16 -5.12 117.98 109.35 1ujr s PHE 69 Ca 0.06 1.32 -0.29 0.00 0.12 0.00 0.00 56.93 58.14 1ujr s PHE 69 Cb -0.03 0.31 -0.01 0.00 -0.57 0.00 0.00 43.02 42.72 1ujr s PHE 69 CO 0.88 -0.77 1.47 -0.51 -0.10 0.00 0.00 175.22 176.20 1ujr s LEU 70 N 2.70 3.77 0.22 -0.37 2.01 -1.26 0.24 118.68 125.99 1ujr s LEU 70 Ca 0.14 1.24 0.11 0.00 0.01 0.00 0.00 54.13 55.63 1ujr s LEU 70 Cb -0.15 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 1ujr s LEU 70 CO -0.18 -1.28 -0.21 -0.31 1.01 0.00 0.00 176.35 175.38 1ujr s TYR 71 N 5.14 2.15 -0.05 0.29 2.02 0.11 0.16 117.35 127.16 1ujr s TYR 71 Ca 0.64 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1ujr s TYR 71 Cb -0.19 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1ujr s TYR 71 CO 0.28 0.53 -0.00 0.08 -1.57 0.00 0.00 175.55 174.87 1ujr s VAL 72 N -2.16 0.33 -0.18 0.71 1.01 0.14 0.29 120.40 120.55 1ujr s VAL 72 Ca 0.23 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 1ujr s VAL 72 Cb -0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1ujr s VAL 72 CO 0.11 0.22 0.10 0.00 0.00 0.00 0.00 175.10 175.53 1ujr s ALA 73 N 1.58 3.60 -0.17 5.51 0.00 0.12 0.10 121.76 132.50 1ujr s ALA 73 Ca -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1ujr s ALA 73 Cb -0.13 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 1ujr s ALA 73 CO -0.03 0.24 -0.12 0.34 0.00 0.00 0.00 175.76 176.19 1ujr s ASP 74 N 0.13 3.83 -0.10 0.00 -1.08 0.12 0.39 116.67 119.96 1ujr s ASP 74 Ca 0.07 -0.44 0.02 0.00 -0.52 0.00 0.00 52.55 51.68 1ujr s ASP 74 Cb -0.12 -1.61 -0.24 0.00 -1.46 0.00 0.00 42.92 39.49 1ujr s ASP 74 CO -0.00 0.06 0.43 0.18 0.52 0.00 0.00 175.17 176.36 1ujr n LEU 75 N 4.22 1.86 -0.25 -1.34 7.99 0.14 0.40 117.00 130.02 1ujr n LEU 75 Ca -0.19 0.26 0.06 0.00 -0.01 0.00 0.00 56.01 56.13 1ujr n LEU 75 Cb 0.51 -0.54 0.19 0.00 -0.11 0.00 0.00 43.42 43.48 1ujr n LEU 75 CO 0.29 0.67 0.94 -0.33 -1.51 0.00 0.00 177.39 177.45 1ujr h GLU 76 N 0.04 0.27 0.00 3.23 5.08 -1.21 -0.39 114.58 121.60 1ujr h GLU 76 Ca -0.39 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ujr h GLU 76 Cb 2.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1ujr h GLU 76 CO 0.07 0.18 -0.92 0.09 -1.00 0.00 0.00 179.01 177.44 1ujr n ASN 77 N -5.15 0.86 -3.07 1.42 3.02 -1.26 -5.00 115.26 106.08 1ujr n ASN 77 Ca 0.15 -0.89 -0.14 0.00 -0.03 0.00 0.00 54.58 53.67 1ujr n ASN 77 Cb 0.47 1.04 0.07 0.00 -0.61 0.00 0.00 39.78 40.76 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ujr n MET 78 N -1.47 -4.35 -3.76 3.52 2.81 -0.16 -4.90 117.12 108.82 1ujr n MET 78 Ca 0.03 0.74 -0.13 0.00 -1.81 0.00 0.00 57.70 56.53 1ujr n MET 78 Cb 0.30 -5.35 -0.10 0.00 -0.71 0.00 0.00 33.22 27.36 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 -3.32 0.02 -0.22 2.03 -7.23 0.16 -0.17 120.40 111.68 1ujr s VAL 79 Ca 0.14 -0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1ujr s VAL 79 Cb -0.02 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1ujr s VAL 79 CO 0.63 -0.10 -0.00 -1.10 -0.31 0.00 0.00 175.10 174.22 1ujr s GLN 80 N -0.41 3.51 0.08 4.82 -0.21 0.14 0.15 119.66 127.74 1ujr s GLN 80 Ca -0.05 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 54.84 1ujr s GLN 80 Cb -0.03 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 1ujr s GLN 80 CO 0.02 -0.13 -0.19 1.52 -2.12 0.00 0.00 175.29 174.39 1ujr s TYR 81 N 1.37 1.63 0.38 0.91 -0.85 0.12 0.34 117.35 121.25 1ujr s TYR 81 Ca 0.05 -0.41 -0.28 0.00 -0.52 0.00 0.00 57.07 55.91 1ujr s TYR 81 Cb -0.15 -0.92 -0.11 0.00 0.38 0.00 0.00 41.96 41.17 1ujr s TYR 81 CO 0.00 0.14 1.46 0.54 -1.52 0.00 0.00 175.55 176.17 1ujr n ARG 82 N 1.37 2.58 -0.20 -3.49 5.12 0.74 0.27 116.66 123.04 1ujr n ARG 82 Ca -0.19 0.91 0.01 0.00 -1.93 0.00 0.00 57.85 56.64 1ujr n ARG 82 Cb 0.54 -2.64 0.11 0.00 -1.16 0.00 0.00 32.46 29.31 1ujr n ARG 82 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1ujr h ARG 83 N 2.83 0.14 0.00 5.56 2.43 -0.52 -2.92 114.38 121.91 1ujr h ARG 83 Ca -0.50 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.46 1ujr h ARG 83 Cb 1.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1ujr h ARG 83 CO 0.63 0.09 -1.50 0.09 -1.51 0.00 0.00 179.97 177.78 1ujr n ASN 84 N -5.25 1.92 -2.94 -3.80 4.13 -1.26 -4.52 115.26 103.54 1ujr n ASN 84 Ca 0.09 0.39 -0.16 0.00 1.68 0.00 0.00 54.58 56.59 1ujr n ASN 84 Cb 0.35 -0.82 -0.03 0.00 -1.54 0.00 0.00 39.78 37.75 1ujr n ASN 84 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ujr n GLU 85 N -4.41 1.58 -0.47 3.52 -0.58 -1.23 -4.56 120.64 114.49 1ujr n GLU 85 Ca -0.30 -1.12 0.41 0.00 -0.42 0.00 0.00 57.16 55.74 1ujr n GLU 85 Cb 0.63 -2.23 0.75 0.00 -0.57 0.00 0.00 31.44 30.01 1ujr n GLU 85 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ujr h HIS 86 N 6.10 0.13 -0.50 -0.32 -0.00 -1.74 1.01 115.15 119.82 1ujr h HIS 86 Ca 0.34 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 1ujr h HIS 86 Cb 0.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1ujr h HIS 86 CO 1.83 -0.03 0.32 0.78 -0.00 0.00 0.00 177.93 180.84 1ujr h GLY 87 N 0.04 0.72 -6.64 5.26 0.00 -1.86 -3.40 103.07 97.19 1ujr h GLY 87 Ca 0.73 -0.28 -0.56 0.00 0.00 0.00 0.00 47.33 47.22 1ujr h GLY 87 CO -0.09 0.27 1.00 0.50 0.00 0.00 0.00 176.54 178.22 1ujr s ARG 88 N -6.07 3.68 0.21 4.80 1.81 0.35 -4.95 118.95 118.78 1ujr s ARG 88 Ca -0.13 0.81 -0.21 0.00 -1.72 0.00 0.00 55.73 54.49 1ujr s ARG 88 Cb 0.12 -3.95 0.04 0.00 -0.45 0.00 0.00 34.95 30.70 1ujr s ARG 88 CO 0.74 -1.43 0.62 -0.98 -0.68 0.00 0.00 175.30 173.58 1ujr s ARG 89 N 4.63 1.50 0.11 3.54 1.70 -1.26 -0.19 118.95 128.99 1ujr s ARG 89 Ca 0.55 -0.77 -0.04 0.00 -0.47 0.00 0.00 55.73 55.00 1ujr s ARG 89 Cb -0.11 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1ujr s ARG 89 CO 0.31 -0.67 0.10 1.03 -1.08 0.00 0.00 175.30 174.99 1ujr s ARG 90 N -3.85 0.87 0.02 3.89 1.81 0.15 -4.95 118.95 116.90 1ujr s ARG 90 Ca 0.07 -1.25 -0.28 0.00 -1.72 0.00 0.00 55.73 52.54 1ujr s ARG 90 Cb -0.03 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.71 1ujr s ARG 90 CO -0.03 -0.25 0.90 0.15 -0.68 0.00 0.00 175.30 175.39 1ujr s LYS 91 N -3.97 4.56 0.03 3.54 1.02 -1.26 0.25 119.74 123.91 1ujr s LYS 91 Ca 0.15 1.29 0.08 0.00 0.02 0.00 0.00 55.97 57.51 1ujr s LYS 91 Cb 0.06 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1ujr s LYS 91 CO -0.04 0.07 -0.21 0.96 -0.92 0.00 0.00 175.35 175.21 1ujr s ILE 92 N 0.61 2.52 0.16 2.17 -4.36 0.76 0.20 121.20 123.27 1ujr s ILE 92 Ca 0.47 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.64 1ujr s ILE 92 Cb -0.21 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1ujr s ILE 92 CO 0.26 0.38 0.04 -1.59 0.24 0.00 0.00 174.94 174.28 1ujr s LYS 93 N -1.26 1.05 -0.14 0.37 -2.85 0.13 -4.44 119.74 112.61 1ujr s LYS 93 Ca 0.13 -1.52 0.01 0.00 -1.00 0.00 0.00 55.97 53.60 1ujr s LYS 93 Cb -0.10 0.01 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1ujr s LYS 93 CO 0.03 -0.22 -0.17 0.50 0.10 0.00 0.00 175.35 175.59 1ujr s ARG 94 N -4.01 2.50 0.31 1.78 3.52 -1.26 0.50 118.95 122.29 1ujr s ARG 94 Ca 0.26 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1ujr s ARG 94 Cb 0.07 -2.16 -0.06 0.00 -1.56 0.00 0.00 34.95 31.24 1ujr s ARG 94 CO 0.04 -0.13 0.04 0.34 -0.81 0.00 0.00 175.30 174.78 1ujr s ASP 95 N 1.16 2.28 -0.06 -2.12 2.15 0.11 -4.93 116.67 115.27 1ujr s ASP 95 Ca -0.01 -1.34 -0.20 0.00 0.43 0.00 0.00 52.55 51.42 1ujr s ASP 95 Cb -0.14 -0.07 -0.05 0.00 -0.30 0.00 0.00 42.92 42.37 1ujr s ASP 95 CO -0.06 -0.58 0.56 -0.63 -0.17 0.00 0.00 175.17 174.29 1ujr s ILE 96 N -3.31 5.06 0.00 4.11 -1.09 -1.26 0.08 121.20 124.79 1ujr s ILE 96 Ca 0.35 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1ujr s ILE 96 Cb 0.08 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1ujr s ILE 96 CO 0.14 0.35 0.00 -0.38 -1.23 0.00 0.00 174.94 173.83 1ujr n ILE 97 N 3.29 0.00 -0.70 2.92 2.08 0.11 -4.90 119.36 122.17 1ujr n ILE 97 Ca -0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1ujr n ILE 97 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1ujr n ILE 97 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1ujr n ASP 98 N 0.00 -2.96 -4.44 4.38 2.03 -1.26 0.07 116.55 114.38 1ujr n ASP 98 Ca 0.00 0.19 -0.22 0.00 0.52 0.00 0.00 54.79 55.28 1ujr n ASP 98 Cb 0.00 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 38.78 1ujr n ASP 98 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ujr s ILE 99 N -0.10 2.05 -0.85 5.18 -0.00 -1.26 -2.86 121.20 123.36 1ujr s ILE 99 Ca 0.00 -2.26 -0.07 0.00 -0.00 0.00 0.00 60.65 58.33 1ujr s ILE 99 Cb 0.00 -2.32 -0.11 0.00 -0.00 0.00 0.00 42.46 40.03 1ujr s ILE 99 CO 0.00 -0.40 2.59 -0.81 -0.00 0.00 0.00 174.94 176.32 1ujr n PRO 100 N -0.57 2.40 -0.01 0.37 -0.04 -1.26 -4.25 135.00 131.64 1ujr n PRO 100 Ca -0.06 -1.46 -0.01 0.00 -0.04 0.00 0.00 63.50 61.93 1ujr n PRO 100 Cb 0.61 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.53 0.05 -0.11 0.54 3.00 -1.26 -4.57 118.16 119.34 1ujr n LYS 101 Ca 0.51 0.09 -0.20 0.00 -0.00 0.00 0.00 58.31 58.71 1ujr n LYS 101 Cb 0.33 -0.65 -0.07 0.00 0.00 0.00 0.00 35.03 34.63 1ujr n LYS 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ujr n LYS 102 N -2.62 0.55 -0.06 1.64 4.81 -1.26 -4.57 118.16 116.65 1ujr n LYS 102 Ca -0.01 0.35 -0.14 0.00 -0.87 0.00 0.00 58.31 57.64 1ujr n LYS 102 Cb 0.04 -1.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.45 1ujr n LYS 102 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ujr h GLY 103 N -1.00 -0.94 0.00 3.14 0.00 -1.90 -3.43 103.07 98.94 1ujr h GLY 103 Ca -0.36 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1ujr h GLY 103 CO -0.22 -0.17 0.00 -0.62 0.00 0.00 0.00 176.54 175.53 1ujr n VAL 104 N -5.42 0.00 -4.19 4.60 0.31 -1.26 -4.56 118.33 107.80 1ujr n VAL 104 Ca -0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.12 1ujr n VAL 104 Cb 0.36 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.18 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 -2.67 1.69 -0.26 4.52 0.15 -1.26 -4.86 113.70 111.01 1ujr s SER 105 Ca 0.00 -0.75 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 1ujr s SER 105 Cb 0.00 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1ujr s SER 105 CO 0.00 -0.17 0.16 -0.83 1.20 0.00 0.00 173.24 173.60 1ujr s GLY 106 N -2.24 1.93 1.07 9.45 0.00 -1.26 -5.09 107.32 111.18 1ujr s GLY 106 Ca 0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 1ujr s GLY 106 CO 0.02 0.53 1.22 2.56 0.00 0.00 0.00 173.10 177.43 1ujr s PRO 107 N 1.47 -0.22 -0.11 2.90 0.04 -1.26 -5.10 135.00 132.73 1ujr s PRO 107 Ca 0.07 -0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.59 1ujr s PRO 107 Cb -0.15 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1ujr s PRO 107 CO 0.08 -3.02 0.68 -1.54 0.04 0.00 0.00 177.00 173.24 1ujr s SER 108 N -4.39 -0.67 -0.02 6.66 1.04 -1.26 -5.18 113.70 109.88 1ujr s SER 108 Ca 0.72 0.91 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 1ujr s SER 108 Cb -0.07 0.79 0.12 0.00 0.10 0.00 0.00 66.02 66.95 1ujr s SER 108 CO 0.54 -0.51 1.29 -0.94 0.98 0.00 0.00 173.24 174.61 1ujr s SER 109 N -0.76 -0.04 0.00 7.02 1.04 -1.26 -5.36 113.70 114.34 1ujr s SER 109 Ca -0.08 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1ujr s SER 109 Cb -0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ujr s SER 109 CO 0.07 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.61