#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr n SER 2 N 0.00 -3.88 -4.90 3.54 3.41 -1.26 -5.14 113.62 105.39 1ujr n SER 2 Ca 0.00 0.86 -0.29 0.00 -0.26 0.00 0.00 58.87 59.18 1ujr n SER 2 Cb 0.00 3.64 -0.03 0.00 -0.26 0.00 0.00 64.21 67.56 1ujr n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ujr s SER 3 N -2.00 6.46 0.00 4.04 0.15 -1.26 -5.05 113.70 116.04 1ujr s SER 3 Ca 0.00 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1ujr s SER 3 Cb 0.00 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1ujr s SER 3 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1ujr n GLY 4 N -0.76 -2.69 1.48 9.45 0.00 -1.26 -5.17 105.19 106.24 1ujr n GLY 4 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1ujr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujr n SER 5 N 2.72 -8.00 -3.65 1.61 7.64 -1.26 -5.09 113.62 107.60 1ujr n SER 5 Ca 0.00 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1ujr n SER 5 Cb 0.00 -4.68 -0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1ujr n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujr s SER 6 N -4.94 -0.07 0.00 6.43 0.15 -1.26 -5.19 113.70 108.83 1ujr s SER 6 Ca 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1ujr s SER 6 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1ujr s SER 6 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1ujr n GLY 7 N -0.56 1.61 3.13 9.45 0.00 -1.26 -5.13 105.19 112.43 1ujr n GLY 7 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 -1.47 -0.29 1.61 2.19 -1.26 -5.14 117.98 111.62 1ujr s PHE 8 Ca 0.00 0.48 -0.23 0.00 0.33 0.00 0.00 56.93 57.51 1ujr s PHE 8 Cb 0.00 0.26 0.17 0.00 -1.31 0.00 0.00 43.02 42.14 1ujr s PHE 8 CO 0.00 -0.94 1.24 -0.51 1.83 0.00 0.00 175.22 176.84 1ujr s LEU 9 N 2.26 -0.23 0.19 6.12 1.43 -1.26 -5.08 118.68 122.11 1ujr s LEU 9 Ca 0.15 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1ujr s LEU 9 Cb -0.05 1.42 0.00 0.00 0.03 0.00 0.00 46.19 47.59 1ujr s LEU 9 CO -0.15 -0.07 0.00 -0.67 0.23 0.00 0.00 176.35 175.69 1ujr n ASP 10 N 2.15 -1.73 -3.48 2.29 2.03 -1.26 -5.08 116.55 111.47 1ujr n ASP 10 Ca -0.13 0.50 -0.21 0.00 0.52 0.00 0.00 54.79 55.48 1ujr n ASP 10 Cb 0.57 1.83 0.01 0.00 -0.72 0.00 0.00 41.12 42.81 1ujr n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ujr n LYS 11 N -2.88 -1.66 -2.49 -0.67 4.01 -1.26 -4.88 118.16 108.33 1ujr n LYS 11 Ca 0.00 1.20 -0.41 0.00 -0.51 0.00 0.00 58.31 58.59 1ujr n LYS 11 Cb 0.00 -3.34 -0.04 0.00 -0.51 0.00 0.00 35.03 31.14 1ujr n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1ujr s PRO 12 N -3.77 4.60 0.01 1.97 0.04 -1.26 -4.99 135.00 131.60 1ujr s PRO 12 Ca 0.11 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1ujr s PRO 12 Cb -0.02 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1ujr s PRO 12 CO 0.85 0.10 0.18 -2.37 0.04 0.00 0.00 177.00 175.80 1ujr n THR 13 N 2.09 0.00 0.00 1.26 5.66 -1.26 -5.18 114.28 116.85 1ujr n THR 13 Ca 0.02 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1ujr n THR 13 Cb 0.46 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 0.00 0.00 0.00 1.09 4.77 -1.26 -5.19 117.00 116.41 1ujr n LEU 14 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1ujr n LEU 14 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ujr n LEU 14 CO 0.03 0.00 0.35 0.00 -1.33 0.00 0.00 177.39 176.44 1ujr n LEU 15 N 0.00 0.00 -4.00 2.23 -0.00 -1.26 -5.18 117.00 108.79 1ujr n LEU 15 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1ujr n LEU 15 Cb 0.00 0.44 -0.03 0.00 -0.00 0.00 0.00 43.42 43.83 1ujr n LEU 15 CO 0.00 -0.00 0.25 -0.55 -0.00 0.00 0.00 177.39 177.09 1ujr s SER 16 N -1.87 0.44 0.17 1.45 0.15 -1.26 -5.03 113.70 107.76 1ujr s SER 16 Ca 0.10 -1.26 0.24 0.00 0.70 0.00 0.00 55.95 55.73 1ujr s SER 16 Cb -0.00 0.69 0.91 0.00 -1.71 0.00 0.00 66.02 65.91 1ujr s SER 16 CO -0.01 -1.36 1.73 -0.81 1.20 0.00 0.00 173.24 174.00 1ujr n PRO 17 N -0.51 0.17 -0.08 5.44 -0.04 -1.26 -3.36 135.00 135.36 1ujr n PRO 17 Ca -0.02 0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 1ujr n PRO 17 Cb 0.61 -1.75 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1ujr n PRO 17 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujr h GLU 18 N 0.00 0.03 -0.88 0.54 5.08 -2.00 -3.34 114.58 114.02 1ujr h GLU 18 Ca 0.00 -0.06 0.26 0.00 -1.00 0.00 0.00 59.36 58.56 1ujr h GLU 18 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1ujr h GLU 18 CO 0.00 1.03 0.89 0.93 -1.00 0.00 0.00 179.01 180.86 1ujr h GLU 19 N -0.90 0.00 0.02 2.33 4.39 -1.96 1.44 114.58 119.91 1ujr h GLU 19 Ca -0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1ujr h GLU 19 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1ujr h GLU 19 CO -0.13 0.00 -0.01 1.25 -1.16 0.00 0.00 179.01 178.96 1ujr h LEU 20 N 0.00 -0.02 -1.23 1.33 6.46 -1.68 -2.69 115.31 117.48 1ujr h LEU 20 Ca 0.42 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.22 1ujr h LEU 20 Cb 2.19 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 42.08 1ujr h LEU 20 CO -0.00 -0.01 0.54 0.07 -0.62 0.00 0.00 178.44 178.41 1ujr h LYS 21 N -0.04 0.96 -1.00 1.25 2.10 -1.29 -0.41 116.57 118.14 1ujr h LYS 21 Ca -0.00 -0.06 0.22 0.00 -2.00 0.00 0.00 60.65 58.81 1ujr h LYS 21 Cb 0.02 -0.22 -0.10 0.00 -0.90 0.00 0.00 32.23 31.03 1ujr h LYS 21 CO 0.00 0.64 0.62 0.00 -2.00 0.00 0.00 179.45 178.71 1ujr h ALA 22 N 1.53 1.91 -1.21 0.07 0.00 0.18 0.76 119.26 122.50 1ujr h ALA 22 Ca 0.33 0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.66 1ujr h ALA 22 Cb 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1ujr h ALA 22 CO -0.10 -0.31 0.85 0.00 0.00 0.00 0.00 179.25 179.70 1ujr h ALA 23 N 1.65 2.97 0.26 0.00 0.00 -0.70 0.94 119.26 124.38 1ujr h ALA 23 Ca 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1ujr h ALA 23 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ujr h ALA 23 CO -0.36 -1.36 -0.12 1.03 0.00 0.00 0.00 179.25 178.44 1ujr h SER 24 N 0.08 -0.29 0.00 0.00 0.87 0.41 -3.20 113.55 111.43 1ujr h SER 24 Ca 0.61 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1ujr h SER 24 Cb 2.23 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.26 1ujr h SER 24 CO -0.09 0.17 0.07 0.03 -0.53 0.00 0.00 176.83 176.48 1ujr h ARG 25 N -1.09 0.00 -0.58 2.24 3.08 -0.94 -1.57 114.38 115.52 1ujr h ARG 25 Ca -0.04 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1ujr h ARG 25 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1ujr h ARG 25 CO 0.06 0.00 0.36 0.78 -1.07 0.00 0.00 179.97 180.10 1ujr h GLY 26 N 0.00 0.83 -0.70 0.04 0.00 0.83 -0.84 103.07 103.24 1ujr h GLY 26 Ca 0.00 -0.27 0.32 0.00 0.00 0.00 0.00 47.33 47.38 1ujr h GLY 26 CO 0.00 0.23 1.04 -0.57 0.00 0.00 0.00 176.54 177.24 1ujr h ASN 27 N 0.71 0.00 -0.64 0.19 -0.73 -1.39 -1.46 115.58 112.26 1ujr h ASN 27 Ca 0.23 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.46 1ujr h ASN 27 Cb 0.01 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.53 1ujr h ASN 27 CO -0.10 0.00 -0.38 0.61 -0.37 0.00 0.00 177.43 177.20 1ujr n GLY 28 N -1.72 -2.43 0.28 1.57 0.00 -0.32 -4.79 105.19 97.78 1ujr n GLY 28 Ca 0.24 0.90 -0.01 0.00 0.00 0.00 0.00 46.02 47.15 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 -4.49 0.05 -4.21 1.61 -0.58 0.12 -4.93 120.64 108.22 1ujr n GLU 29 Ca 0.01 -0.25 -0.12 0.00 -0.42 0.00 0.00 57.16 56.38 1ujr n GLU 29 Cb 0.17 0.23 -0.10 0.00 -0.57 0.00 0.00 31.44 31.17 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 -4.04 1.10 0.00 -0.32 -0.85 -1.26 0.09 117.35 112.07 1ujr s TYR 30 Ca 0.03 -1.14 -0.14 0.00 -0.52 0.00 0.00 57.07 55.30 1ujr s TYR 30 Cb -0.00 -0.62 0.02 0.00 0.38 0.00 0.00 41.96 41.74 1ujr s TYR 30 CO 0.02 -0.37 0.29 0.00 -1.52 0.00 0.00 175.55 173.96 1ujr s ALA 31 N -3.86 -0.69 0.06 9.51 0.00 0.91 -4.61 121.76 123.08 1ujr s ALA 31 Ca 0.26 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 1ujr s ALA 31 Cb 0.07 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 1ujr s ALA 31 CO 0.04 -0.30 0.51 -1.58 0.00 0.00 0.00 175.76 174.44 1ujr s TRP 32 N -1.71 3.75 0.14 0.00 0.52 -1.26 0.20 118.94 120.57 1ujr s TRP 32 Ca -0.11 1.15 0.08 0.00 0.02 0.00 0.00 56.10 57.24 1ujr s TRP 32 Cb -0.04 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 1ujr s TRP 32 CO 0.02 0.58 -0.19 0.71 0.02 0.00 0.00 176.95 178.09 1ujr s TYR 33 N -1.16 1.76 0.05 -1.98 1.51 0.15 -3.76 117.35 113.92 1ujr s TYR 33 Ca 0.29 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1ujr s TYR 33 Cb -0.18 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1ujr s TYR 33 CO 0.17 0.26 -0.09 1.52 -1.11 0.00 0.00 175.55 176.31 1ujr s TYR 34 N -1.73 0.78 0.41 2.71 1.13 0.10 0.21 117.35 120.97 1ujr s TYR 34 Ca 0.11 -0.51 -0.25 0.00 -1.41 0.00 0.00 57.07 55.01 1ujr s TYR 34 Cb -0.07 -0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 40.23 1ujr s TYR 34 CO 0.05 -0.06 1.20 -1.91 -2.51 0.00 0.00 175.55 172.32 1ujr n GLU 35 N 1.36 1.77 0.00 -3.49 2.13 0.11 0.15 120.64 122.68 1ujr n GLU 35 Ca -0.22 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1ujr n GLU 35 Cb 0.55 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 0.92 5.15 0.02 8.31 0.00 0.14 -4.74 105.19 114.99 1ujr n GLY 36 Ca 0.07 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.03 0.17 1.61 9.65 -1.94 -3.38 114.38 120.46 1ujr h ARG 37 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ujr h ARG 37 Cb 0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1ujr h ARG 37 CO 0.00 -0.02 -0.15 -0.97 2.80 0.00 0.00 179.97 181.63 1ujr h ASN 38 N -0.27 -0.40 0.00 -3.80 -0.73 -2.00 -3.47 115.58 104.90 1ujr h ASN 38 Ca -0.00 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1ujr h ASN 38 Cb 0.02 0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1ujr h ASN 38 CO 0.00 -0.23 0.00 0.61 -0.37 0.00 0.00 177.43 177.44 1ujr n GLY 39 N -1.28 -2.30 3.23 1.57 0.00 -1.26 -5.14 105.19 100.00 1ujr n GLY 39 Ca -0.08 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.08 1.60 0.04 1.61 0.52 -1.26 0.23 118.94 121.59 1ujr s TRP 40 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.73 1ujr s TRP 40 Cb 0.00 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 1ujr s TRP 40 CO 0.00 0.11 -0.04 -1.58 0.02 0.00 0.00 176.95 175.46 1ujr s TRP 41 N -0.98 0.44 0.16 -1.98 0.23 0.12 -4.83 118.94 112.10 1ujr s TRP 41 Ca 0.05 -0.67 -0.11 0.00 -2.03 0.00 0.00 56.10 53.34 1ujr s TRP 41 Cb -0.09 -0.30 -0.07 0.00 0.03 0.00 0.00 33.47 33.05 1ujr s TRP 41 CO 0.02 -0.21 0.50 -1.14 0.96 0.00 0.00 176.95 177.08 1ujr s GLN 42 N -2.18 3.83 -0.00 4.98 0.74 -1.26 0.00 119.66 125.76 1ujr s GLN 42 Ca -0.08 0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.53 1ujr s GLN 42 Cb -0.05 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1ujr s GLN 42 CO -0.03 0.44 0.71 1.88 -0.55 0.00 0.00 175.29 177.74 1ujr h TYR 43 N 3.16 -0.27 0.00 1.67 0.05 -1.96 -3.48 116.97 116.13 1ujr h TYR 43 Ca -0.48 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1ujr h TYR 43 Cb 1.18 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1ujr h TYR 43 CO 0.64 -0.17 0.00 -3.47 -1.05 0.00 0.00 178.16 174.11 1ujr n ASP 44 N -3.19 -0.11 0.00 3.88 2.03 -1.26 -5.02 116.55 112.87 1ujr n ASP 44 Ca -0.04 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1ujr n ASP 44 Cb 0.11 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.88 0.00 0.02 -0.67 2.13 -1.26 -4.99 120.64 113.98 1ujr n GLU 45 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1ujr n GLU 45 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1ujr n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ujr h ARG 46 N 0.00 -0.15 -1.00 5.31 9.65 -1.98 -1.38 114.38 124.84 1ujr h ARG 46 Ca 0.00 0.01 0.36 0.00 -1.10 0.00 0.00 59.98 59.25 1ujr h ARG 46 Cb 0.00 0.03 -0.16 0.00 -1.39 0.00 0.00 29.97 28.45 1ujr h ARG 46 CO 0.00 0.18 0.53 1.15 2.80 0.00 0.00 179.97 184.63 1ujr h THR 47 N -0.98 0.18 0.00 0.20 2.02 -1.95 0.63 112.91 113.00 1ujr h THR 47 Ca -0.02 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 1ujr h THR 47 Cb 0.40 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1ujr h THR 47 CO 0.03 0.03 -0.55 0.77 0.37 0.00 0.00 175.52 176.17 1ujr h SER 48 N 0.19 0.48 -0.91 4.18 4.64 -1.93 -3.06 113.55 117.14 1ujr h SER 48 Ca 0.77 -0.77 0.27 0.00 -0.47 0.00 0.00 61.79 61.59 1ujr h SER 48 Cb 1.87 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.77 1ujr h SER 48 CO -0.68 1.19 0.94 0.03 -0.87 0.00 0.00 176.83 177.44 1ujr h ARG 49 N -0.17 0.00 0.18 4.77 3.08 0.14 1.27 114.38 123.65 1ujr h ARG 49 Ca -0.07 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.63 1ujr h ARG 49 Cb 1.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.33 1ujr h ARG 49 CO 0.11 0.00 -1.76 0.93 -1.07 0.00 0.00 179.97 178.18 1ujr h GLU 50 N 0.00 0.37 -0.27 0.04 4.39 -1.29 -3.06 114.58 114.76 1ujr h GLU 50 Ca 0.43 -0.64 0.06 0.00 0.34 0.00 0.00 59.36 59.56 1ujr h GLU 50 Cb 2.32 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 31.14 1ujr h GLU 50 CO -0.00 1.29 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.93 1ujr h LEU 51 N 0.10 -0.46 0.85 1.33 3.38 0.17 0.14 115.31 120.83 1ujr h LEU 51 Ca -0.35 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1ujr h LEU 51 Cb 2.09 0.25 0.01 0.00 0.09 0.00 0.00 40.66 43.10 1ujr h LEU 51 CO 0.17 -0.17 -0.41 -0.08 0.09 0.00 0.00 178.44 178.04 1ujr h GLU 52 N -0.10 -1.10 -0.89 1.13 4.22 -1.42 0.90 114.58 117.31 1ujr h GLU 52 Ca 0.14 0.08 0.16 0.00 0.08 0.00 0.00 59.36 59.82 1ujr h GLU 52 Cb 0.32 0.25 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 1ujr h GLU 52 CO -0.33 -0.73 -0.30 0.22 -2.18 0.00 0.00 179.01 175.68 1ujr h ASP 53 N -1.19 -1.12 0.69 1.04 1.82 -1.37 1.69 116.42 117.98 1ujr h ASP 53 Ca -0.12 0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1ujr h ASP 53 Cb 0.88 0.64 0.01 0.00 0.68 0.00 0.00 39.33 41.54 1ujr h ASP 53 CO 0.19 -0.30 -0.33 0.00 -1.61 0.00 0.00 179.24 177.19 1ujr h ALA 54 N 1.57 -0.93 -0.76 -0.78 0.00 -0.55 0.60 119.26 118.42 1ujr h ALA 54 Ca 0.37 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1ujr h ALA 54 Cb 0.62 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1ujr h ALA 54 CO -0.92 -0.89 -0.19 0.35 0.00 0.00 0.00 179.25 177.60 1ujr h PHE 55 N -1.19 -0.42 0.50 0.00 3.57 0.26 0.72 116.94 120.38 1ujr h PHE 55 Ca -0.09 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1ujr h PHE 55 Cb 0.73 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1ujr h PHE 55 CO 0.00 -0.33 -0.24 1.03 -2.23 0.00 0.00 178.31 176.54 1ujr h SER 56 N -0.00 -0.57 -1.83 0.41 0.87 0.25 -2.91 113.55 109.77 1ujr h SER 56 Ca 0.36 0.02 0.53 0.00 -1.23 0.00 0.00 61.79 61.47 1ujr h SER 56 Cb 0.56 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 1ujr h SER 56 CO -0.78 -0.25 1.35 0.11 -0.53 0.00 0.00 176.83 176.73 1ujr h LYS 57 N -0.98 0.00 0.00 2.24 1.57 0.83 -3.42 116.57 116.80 1ujr h LYS 57 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ujr h LYS 57 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ujr h LYS 57 CO 0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 1ujr n GLY 58 N -1.89 1.37 3.52 3.86 0.00 0.14 -5.04 105.19 107.14 1ujr n GLY 58 Ca 0.41 0.00 -0.39 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 -0.29 0.56 -0.38 1.61 5.02 0.21 -4.71 118.16 120.18 1ujr n LYS 59 Ca 0.00 0.01 0.37 0.00 -2.02 0.00 0.00 58.31 56.67 1ujr n LYS 59 Cb 0.00 -2.51 0.74 0.00 -0.02 0.00 0.00 35.03 33.24 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 15.81 0.03 -3.95 1.97 6.56 -1.91 -3.32 116.57 131.76 1ujr h LYS 60 Ca -0.15 -0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.32 1ujr h LYS 60 Cb 1.29 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.83 1ujr h LYS 60 CO 1.26 0.02 -0.30 0.54 -2.06 0.00 0.00 179.45 178.91 1ujr s ASN 61 N -4.97 0.00 -0.15 0.86 6.03 -1.26 0.41 114.94 115.86 1ujr s ASN 61 Ca -0.05 -1.03 -0.08 0.00 -1.03 0.00 0.00 52.86 50.67 1ujr s ASN 61 Cb 0.24 0.50 0.06 0.00 -3.03 0.00 0.00 41.25 39.01 1ujr s ASN 61 CO 0.82 -1.00 0.36 0.28 -2.03 0.00 0.00 177.10 175.53 1ujr s THR 62 N -4.04 -0.11 0.56 0.54 -1.32 0.14 -4.89 115.64 106.52 1ujr s THR 62 Ca 0.25 0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 1ujr s THR 62 Cb 0.02 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 1ujr s THR 62 CO 0.08 0.05 0.96 -1.61 -2.21 0.00 0.00 174.62 171.89 1ujr s GLU 63 N 1.54 3.68 0.10 7.08 8.01 -1.26 0.28 118.70 138.13 1ujr s GLU 63 Ca -0.08 0.69 -0.21 0.00 0.01 0.00 0.00 54.97 55.37 1ujr s GLU 63 Cb -0.09 -2.16 0.05 0.00 -4.31 0.00 0.00 34.13 27.62 1ujr s GLU 63 CO -0.12 -0.41 0.52 0.00 0.01 0.00 0.00 175.26 175.26 1ujr s MET 64 N -4.78 1.12 -0.26 1.61 0.23 0.13 -4.86 119.30 112.49 1ujr s MET 64 Ca 0.54 -0.42 -0.01 0.00 -1.03 0.00 0.00 55.69 54.77 1ujr s MET 64 Cb -0.11 0.51 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1ujr s MET 64 CO 0.46 -0.44 -0.06 -1.17 -2.03 0.00 0.00 175.02 171.78 1ujr s LEU 65 N -2.41 3.34 0.00 0.18 2.96 -1.26 0.09 118.68 121.58 1ujr s LEU 65 Ca -0.01 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 52.96 1ujr s LEU 65 Cb -0.00 -1.66 0.08 0.00 0.50 0.00 0.00 46.19 45.11 1ujr s LEU 65 CO -0.08 -0.16 0.63 -0.38 -1.32 0.00 0.00 176.35 175.04 1ujr n ILE 66 N 4.63 0.00 -1.34 6.68 5.41 0.10 -4.92 119.36 129.93 1ujr n ILE 66 Ca -0.16 -2.03 -0.25 0.00 1.00 0.00 0.00 62.75 61.31 1ujr n ILE 66 Cb 0.46 -0.30 -0.18 0.00 -0.71 0.00 0.00 39.64 38.90 1ujr n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujr n ALA 67 N -2.13 0.78 -4.34 -1.39 0.00 -1.26 0.19 120.51 112.36 1ujr n ALA 67 Ca -0.15 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.37 1ujr n ALA 67 Cb 0.61 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 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 5.18 -0.20 3.16 0.00 0.00 -1.26 -4.90 105.19 107.17 1ujr n GLY 68 Ca 0.60 0.15 0.01 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 -4.08 -1.40 -0.13 1.61 0.08 0.13 -5.13 117.98 109.05 1ujr s PHE 69 Ca 0.20 1.61 -0.29 0.00 0.12 0.00 0.00 56.93 58.57 1ujr s PHE 69 Cb -0.12 0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1ujr s PHE 69 CO 1.00 -0.81 1.21 -0.51 -0.10 0.00 0.00 175.22 176.01 1ujr s LEU 70 N 2.80 4.21 0.29 -0.37 1.43 -1.26 0.03 118.68 125.80 1ujr s LEU 70 Ca 0.16 1.70 0.11 0.00 -1.03 0.00 0.00 54.13 55.07 1ujr s LEU 70 Cb -0.15 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1ujr s LEU 70 CO -0.19 -0.68 -0.16 -0.31 0.23 0.00 0.00 176.35 175.23 1ujr s TYR 71 N 2.99 2.24 -0.18 0.29 2.02 0.11 0.10 117.35 124.93 1ujr s TYR 71 Ca 0.54 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 1ujr s TYR 71 Cb -0.22 -1.07 0.05 0.00 -0.40 0.00 0.00 41.96 40.32 1ujr s TYR 71 CO 0.16 0.63 -0.01 0.08 -1.57 0.00 0.00 175.55 174.85 1ujr s VAL 72 N -2.60 0.84 -0.48 0.71 1.01 0.14 0.20 120.40 120.23 1ujr s VAL 72 Ca 0.30 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 1ujr s VAL 72 Cb -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.21 1ujr s VAL 72 CO 0.14 -0.06 0.66 0.00 0.00 0.00 0.00 175.10 175.85 1ujr s ALA 73 N 1.73 3.34 -0.21 5.51 0.00 0.14 0.12 121.76 132.40 1ujr s ALA 73 Ca -0.01 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 1ujr s ALA 73 Cb -0.16 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1ujr s ALA 73 CO -0.07 -1.95 0.50 0.34 0.00 0.00 0.00 175.76 174.58 1ujr s ASP 74 N 2.39 6.53 -0.05 0.00 -1.08 0.17 0.27 116.67 124.90 1ujr s ASP 74 Ca 0.20 0.63 0.07 0.00 -0.52 0.00 0.00 52.55 52.93 1ujr s ASP 74 Cb -0.16 -2.28 -0.24 0.00 -1.46 0.00 0.00 42.92 38.78 1ujr s ASP 74 CO 0.16 -0.17 0.63 -0.07 0.52 0.00 0.00 175.17 176.23 1ujr h LEU 75 N 7.98 0.12 -0.78 -1.34 -0.00 -0.27 0.59 115.31 121.61 1ujr h LEU 75 Ca -0.34 -0.25 0.17 0.00 -0.00 0.00 0.00 57.88 57.46 1ujr h LEU 75 Cb 1.15 -0.04 -0.14 0.00 -0.00 0.00 0.00 40.66 41.63 1ujr h LEU 75 CO 0.73 1.23 -0.06 -0.08 -0.00 0.00 0.00 178.44 180.25 1ujr h GLU 76 N 0.02 0.06 -0.01 1.13 4.81 -0.36 0.91 114.58 121.14 1ujr h GLU 76 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1ujr h GLU 76 Cb 2.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1ujr h GLU 76 CO 0.09 0.04 -0.59 0.09 -0.73 0.00 0.00 179.01 177.91 1ujr n ASN 77 N -5.41 1.31 -2.61 1.04 3.02 -1.26 -4.98 115.26 106.37 1ujr n ASN 77 Ca 0.13 -1.16 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1ujr n ASN 77 Cb 0.47 0.72 0.06 0.00 -0.61 0.00 0.00 39.78 40.41 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 -0.71 -5.26 -3.94 3.52 1.56 0.31 -4.92 117.12 107.68 1ujr n MET 78 Ca 0.05 0.56 -0.11 0.00 -0.27 0.00 0.00 57.70 57.94 1ujr n MET 78 Cb 0.33 -4.79 -0.13 0.00 2.15 0.00 0.00 33.22 30.78 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 0.10 -0.16 1.12 -7.23 0.20 -0.12 120.40 111.08 1ujr s VAL 79 Ca 0.33 -0.45 -0.02 0.00 -1.81 0.00 0.00 61.98 60.03 1ujr s VAL 79 Cb -0.15 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1ujr s VAL 79 CO 0.49 -0.22 -0.09 0.00 -0.31 0.00 0.00 175.10 174.97 1ujr s GLN 80 N -0.71 3.44 0.04 4.82 -2.07 0.90 0.46 119.66 126.54 1ujr s GLN 80 Ca -0.07 -0.63 0.06 0.00 -1.82 0.00 0.00 55.36 52.90 1ujr s GLN 80 Cb -0.05 -2.80 -0.02 0.00 -1.09 0.00 0.00 33.01 29.05 1ujr s GLN 80 CO -0.00 0.09 -0.17 1.52 -1.32 0.00 0.00 175.29 175.41 1ujr s TYR 81 N 0.69 1.52 0.30 9.60 -0.85 0.12 0.30 117.35 129.04 1ujr s TYR 81 Ca -0.04 -0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 55.85 1ujr s TYR 81 Cb -0.15 -0.90 -0.12 0.00 0.38 0.00 0.00 41.96 41.16 1ujr s TYR 81 CO 0.02 0.06 1.41 -2.13 -1.52 0.00 0.00 175.55 173.40 1ujr n ARG 82 N 1.88 2.28 0.02 -3.49 0.00 0.90 0.28 116.66 118.54 1ujr n ARG 82 Ca -0.18 0.81 -0.03 0.00 -0.00 0.00 0.00 57.85 58.45 1ujr n ARG 82 Cb 0.54 -2.47 -0.02 0.00 0.00 0.00 0.00 32.46 30.51 1ujr n ARG 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1ujr h ARG 83 N 3.58 -0.14 0.03 -0.14 2.43 -0.59 -2.14 114.38 117.41 1ujr h ARG 83 Ca -0.46 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1ujr h ARG 83 Cb 1.26 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1ujr h ARG 83 CO 0.70 -0.09 -0.01 -0.97 -1.51 0.00 0.00 179.97 178.09 1ujr h ASN 84 N -0.14 -0.03 -2.46 -3.80 -0.73 -1.92 -3.34 115.58 103.15 1ujr h ASN 84 Ca -0.00 -0.41 -0.75 0.00 1.87 0.00 0.00 56.30 57.01 1ujr h ASN 84 Cb 0.14 0.01 -0.20 0.00 0.27 0.00 0.00 38.32 38.54 1ujr h ASN 84 CO -0.05 0.40 1.14 -0.70 -0.37 0.00 0.00 177.43 177.86 1ujr s GLU 85 N -4.44 4.08 0.55 6.67 2.12 -1.21 -4.79 118.70 121.68 1ujr s GLU 85 Ca -0.15 -2.66 0.26 0.00 0.36 0.00 0.00 54.97 52.78 1ujr s GLU 85 Cb 0.02 -4.95 1.58 0.00 0.26 0.00 0.00 34.13 31.04 1ujr s GLU 85 CO 0.66 -1.66 2.17 1.25 -0.54 0.00 0.00 175.26 177.14 1ujr h HIS 86 N 7.16 0.00 0.19 5.30 2.76 -1.52 -2.62 115.15 126.42 1ujr h HIS 86 Ca 0.28 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1ujr h HIS 86 Cb 0.88 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.81 1ujr h HIS 86 CO 1.04 0.05 -0.35 0.78 -1.30 0.00 0.00 177.93 178.15 1ujr h GLY 87 N 0.26 -0.72 -6.48 5.26 0.00 -1.86 -3.39 103.07 96.13 1ujr h GLY 87 Ca -0.00 0.41 -0.57 0.00 0.00 0.00 0.00 47.33 47.17 1ujr h GLY 87 CO 0.01 -0.27 1.21 0.50 0.00 0.00 0.00 176.54 177.99 1ujr s ARG 88 N -5.99 3.56 0.18 4.80 0.52 -1.02 -4.93 118.95 116.08 1ujr s ARG 88 Ca -0.16 1.58 -0.15 0.00 -0.52 0.00 0.00 55.73 56.48 1ujr s ARG 88 Cb 0.07 -4.13 0.02 0.00 0.52 0.00 0.00 34.95 31.43 1ujr s ARG 88 CO 0.64 -1.58 0.45 -0.98 0.02 0.00 0.00 175.30 173.85 1ujr s ARG 89 N 5.19 1.30 -0.10 3.54 1.04 -1.26 -0.07 118.95 128.59 1ujr s ARG 89 Ca 0.77 -0.94 -0.17 0.00 -1.04 0.00 0.00 55.73 54.34 1ujr s ARG 89 Cb -0.24 0.48 0.04 0.00 -2.04 0.00 0.00 34.95 33.18 1ujr s ARG 89 CO 0.32 -0.53 0.42 1.03 -0.04 0.00 0.00 175.30 176.51 1ujr s ARG 90 N -3.90 0.63 0.59 3.89 3.00 0.15 -4.95 118.95 118.36 1ujr s ARG 90 Ca 0.11 0.30 -0.18 0.00 0.00 0.00 0.00 55.73 55.96 1ujr s ARG 90 Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 34.95 35.21 1ujr s ARG 90 CO -0.03 -0.13 1.14 0.21 0.00 0.00 0.00 175.30 176.49 1ujr s LYS 91 N -0.46 3.09 0.13 3.54 2.20 -1.26 -0.07 119.74 126.91 1ujr s LYS 91 Ca -0.06 1.61 0.07 0.00 -0.36 0.00 0.00 55.97 57.22 1ujr s LYS 91 Cb -0.03 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1ujr s LYS 91 CO 0.03 -1.06 -0.15 0.96 -0.36 0.00 0.00 175.35 174.76 1ujr s ILE 92 N -1.88 1.45 -0.05 5.43 -4.36 0.83 0.10 121.20 122.71 1ujr s ILE 92 Ca 0.72 -1.74 -0.08 0.00 -0.26 0.00 0.00 60.65 59.29 1ujr s ILE 92 Cb -0.25 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 41.89 1ujr s ILE 92 CO 0.32 -0.37 0.20 -1.59 0.24 0.00 0.00 174.94 173.74 1ujr s LYS 93 N -2.63 0.36 -0.39 0.37 -2.85 0.13 -4.76 119.74 109.97 1ujr s LYS 93 Ca 0.10 0.02 -0.23 0.00 -1.00 0.00 0.00 55.97 54.86 1ujr s LYS 93 Cb -0.05 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.89 1ujr s LYS 93 CO 0.04 -0.07 0.80 0.50 0.10 0.00 0.00 175.35 176.71 1ujr s ARG 94 N -0.51 3.65 0.40 1.78 3.52 -1.26 0.32 118.95 126.84 1ujr s ARG 94 Ca -0.06 0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.81 1ujr s ARG 94 Cb -0.04 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1ujr s ARG 94 CO 0.01 -0.95 0.40 0.34 -0.81 0.00 0.00 175.30 174.29 1ujr s ASP 95 N 1.95 5.24 -0.12 -2.12 2.15 0.13 -4.95 116.67 118.95 1ujr s ASP 95 Ca 0.31 -0.62 -0.06 0.00 0.43 0.00 0.00 52.55 52.61 1ujr s ASP 95 Cb -0.13 -0.69 -0.04 0.00 -0.30 0.00 0.00 42.92 41.77 1ujr s ASP 95 CO 0.19 -0.61 0.10 -0.63 -0.17 0.00 0.00 175.17 174.06 1ujr s ILE 96 N -2.41 5.19 0.15 4.11 1.01 -1.26 -0.06 121.20 127.92 1ujr s ILE 96 Ca 0.48 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.29 1ujr s ILE 96 Cb -0.05 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1ujr s ILE 96 CO 0.29 0.59 -0.16 -0.63 0.00 0.00 0.00 174.94 175.03 1ujr s ILE 97 N -0.80 1.64 0.02 2.92 -1.09 0.11 -4.77 121.20 119.23 1ujr s ILE 97 Ca 0.13 -1.87 -0.13 0.00 -2.23 0.00 0.00 60.65 56.55 1ujr s ILE 97 Cb -0.12 -1.76 -0.07 0.00 -1.58 0.00 0.00 42.46 38.93 1ujr s ILE 97 CO 0.03 -0.38 1.15 0.44 -1.23 0.00 0.00 174.94 174.95 1ujr h ASP 98 N 3.28 -0.41 -4.96 3.58 5.19 -1.72 0.34 116.42 121.72 1ujr h ASP 98 Ca -0.41 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.04 1ujr h ASP 98 Cb 1.20 0.11 -0.11 0.00 0.18 0.00 0.00 39.33 40.71 1ujr h ASP 98 CO 0.52 -0.28 0.27 0.27 -3.12 0.00 0.00 179.24 176.90 1ujr s ILE 99 N -3.95 0.00 0.74 0.35 -4.36 -1.26 -2.08 121.20 110.64 1ujr s ILE 99 Ca -0.07 -0.21 -0.11 0.00 -0.26 0.00 0.00 60.65 60.00 1ujr s ILE 99 Cb 0.01 -1.23 0.03 0.00 1.25 0.00 0.00 42.46 42.52 1ujr s ILE 99 CO 0.21 0.00 1.08 -2.16 0.24 0.00 0.00 174.94 174.31 1ujr s PRO 100 N -3.65 2.58 -0.22 0.37 0.04 -1.26 -5.01 135.00 127.85 1ujr s PRO 100 Ca 0.04 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 61.74 1ujr s PRO 100 Cb -0.02 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1ujr s PRO 100 CO -0.08 -1.31 -0.28 1.17 0.04 0.00 0.00 177.00 176.54 1ujr n LYS 101 N -3.26 0.55 -0.08 4.56 3.00 -1.26 -4.33 118.16 117.35 1ujr n LYS 101 Ca 0.07 0.30 -0.11 0.00 -0.00 0.00 0.00 58.31 58.57 1ujr n LYS 101 Cb 0.55 -1.51 -0.07 0.00 0.00 0.00 0.00 35.03 33.99 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 -1.00 0.00 -0.67 1.64 1.63 -1.97 -3.39 116.57 112.82 1ujr h LYS 102 Ca -0.33 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.53 1ujr h LYS 102 Cb 1.24 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.79 1ujr h LYS 102 CO -0.20 0.55 -0.39 0.41 -3.45 0.00 0.00 179.45 176.36 1ujr n GLY 103 N 1.59 -2.48 3.54 5.01 0.00 -1.26 -4.34 105.19 107.25 1ujr n GLY 103 Ca -0.15 0.93 -0.63 0.00 0.00 0.00 0.00 46.02 46.17 1ujr n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujr n VAL 104 N -4.54 0.03 -3.82 1.61 3.14 -1.26 -4.85 118.33 108.63 1ujr n VAL 104 Ca 0.01 -0.01 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1ujr n VAL 104 Cb 0.17 -0.60 -0.00 0.00 -1.06 0.00 0.00 33.84 32.36 1ujr n VAL 104 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1ujr s SER 105 N 4.40 -0.13 -0.28 6.55 0.01 -1.26 -4.95 113.70 118.05 1ujr s SER 105 Ca 1.11 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 1ujr s SER 105 Cb -1.44 0.66 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1ujr s SER 105 CO 0.73 -1.27 -0.03 -0.83 0.41 0.00 0.00 173.24 172.25 1ujr s GLY 106 N -3.04 1.71 0.85 3.44 0.00 -1.26 -5.11 107.32 103.91 1ujr s GLY 106 Ca 0.14 -1.69 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 1ujr s GLY 106 CO 0.07 0.64 1.12 2.56 0.00 0.00 0.00 173.10 177.48 1ujr s PRO 107 N 1.25 1.63 0.12 2.90 0.04 -1.26 -5.09 135.00 134.59 1ujr s PRO 107 Ca -0.04 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.21 1ujr s PRO 107 Cb -0.19 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1ujr s PRO 107 CO -0.02 -1.90 0.84 0.45 0.04 0.00 0.00 177.00 176.40 1ujr s SER 108 N -3.96 -0.32 0.53 6.66 0.15 -1.26 -5.17 113.70 110.32 1ujr s SER 108 Ca 0.62 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 1ujr s SER 108 Cb -0.15 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1ujr s SER 108 CO 0.54 -0.89 0.80 -0.44 1.20 0.00 0.00 173.24 174.45 1ujr s SER 109 N -2.75 5.67 0.00 5.45 0.01 -1.26 -5.35 113.70 115.46 1ujr s SER 109 Ca 0.08 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1ujr s SER 109 Cb -0.02 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1ujr s SER 109 CO -0.04 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.30