#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 -0.77 -1.60 3.54 2.88 -1.26 -5.16 113.62 111.24 1ujr n SER 2 Ca 0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1ujr n SER 2 Cb 0.00 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1ujr n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujr n SER 3 N -3.07 -8.65 0.00 -3.46 7.64 -1.26 -5.07 113.62 99.74 1ujr n SER 3 Ca 0.00 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1ujr n SER 3 Cb 0.00 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.28 1ujr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 4 N -1.26 -0.57 0.00 0.23 0.00 -1.26 -5.19 105.19 97.14 1ujr n GLY 4 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.00 -3.57 1.61 7.64 -1.26 -5.19 113.62 112.85 1ujr n SER 5 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1ujr n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 -0.26 0.00 6.43 0.15 -1.26 -5.19 113.70 113.57 1ujr s SER 6 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1ujr s SER 6 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1ujr s SER 6 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1ujr n GLY 7 N -0.26 3.41 3.51 9.45 0.00 -1.26 -5.17 105.19 114.87 1ujr n GLY 7 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.42 -1.32 -0.28 1.61 -0.71 -1.26 -5.15 117.98 108.45 1ujr s PHE 8 Ca 0.00 2.06 -0.18 0.00 -1.04 0.00 0.00 56.93 57.77 1ujr s PHE 8 Cb 0.00 0.71 0.11 0.00 -1.21 0.00 0.00 43.02 42.63 1ujr s PHE 8 CO 0.00 -0.67 0.84 -0.51 -1.34 0.00 0.00 175.22 173.54 1ujr s LEU 9 N 2.85 -0.70 -0.30 -1.99 1.43 -1.26 -5.15 118.68 113.56 1ujr s LEU 9 Ca 0.00 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.07 1ujr s LEU 9 Cb -0.12 2.08 0.19 0.00 0.03 0.00 0.00 46.19 48.37 1ujr s LEU 9 CO -0.19 -0.19 1.25 -1.81 0.23 0.00 0.00 176.35 175.64 1ujr s ASP 10 N 1.27 -0.14 -0.28 2.29 1.01 -1.26 -4.99 116.67 114.58 1ujr s ASP 10 Ca -0.07 0.19 -0.03 0.00 0.71 0.00 0.00 52.55 53.34 1ujr s ASP 10 Cb -0.04 1.15 0.16 0.00 1.01 0.00 0.00 42.92 45.20 1ujr s ASP 10 CO -0.15 -0.03 0.55 -0.54 0.21 0.00 0.00 175.17 175.21 1ujr s LYS 11 N 2.05 0.51 0.70 8.23 1.02 -1.26 -5.16 119.74 125.83 1ujr s LYS 11 Ca -0.00 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 56.86 1ujr s LYS 11 Cb -0.01 0.37 0.01 0.00 -0.52 0.00 0.00 37.83 37.68 1ujr s LYS 11 CO -0.16 -0.53 1.06 -1.25 -0.92 0.00 0.00 175.35 173.55 1ujr s PRO 12 N 2.78 2.89 0.01 -1.68 0.04 -1.26 -4.90 135.00 132.88 1ujr s PRO 12 Ca 0.13 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 1ujr s PRO 12 Cb -0.14 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1ujr s PRO 12 CO -0.19 -1.13 0.15 -2.37 0.04 0.00 0.00 177.00 173.50 1ujr n THR 13 N -3.15 0.00 -4.00 1.26 5.66 -1.26 -5.17 114.28 107.62 1ujr n THR 13 Ca 0.07 -0.04 -0.21 0.00 -3.05 0.00 0.00 64.05 60.82 1ujr n THR 13 Cb 0.54 0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 1ujr n THR 13 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ujr s LEU 14 N 0.00 4.10 0.00 1.09 2.96 -1.26 -5.06 118.68 120.51 1ujr s LEU 14 Ca 0.03 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1ujr s LEU 14 Cb -0.00 -2.64 0.06 0.00 0.50 0.00 0.00 46.19 44.11 1ujr s LEU 14 CO 0.00 -0.08 0.15 0.00 -1.32 0.00 0.00 176.35 175.10 1ujr n LEU 15 N -1.33 0.00 -4.24 -0.68 -0.00 -1.26 -5.07 117.00 104.43 1ujr n LEU 15 Ca -0.08 -0.15 -0.13 0.00 -0.00 0.00 0.00 56.01 55.65 1ujr n LEU 15 Cb 0.57 -0.17 -0.10 0.00 -0.00 0.00 0.00 43.42 43.72 1ujr n LEU 15 CO 0.44 -1.72 -0.32 -0.44 -0.00 0.00 0.00 177.39 175.35 1ujr s SER 16 N -2.16 1.10 0.00 1.45 0.01 -1.26 -5.02 113.70 107.82 1ujr s SER 16 Ca 0.11 -1.19 0.22 0.00 1.31 0.00 0.00 55.95 56.40 1ujr s SER 16 Cb -0.02 0.14 0.99 0.00 0.21 0.00 0.00 66.02 67.34 1ujr s SER 16 CO 0.09 -0.60 1.71 -0.81 0.41 0.00 0.00 173.24 174.04 1ujr n PRO 17 N -0.24 0.09 0.05 12.44 -0.04 -1.26 -2.42 135.00 143.61 1ujr n PRO 17 Ca -0.06 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1ujr n PRO 17 Cb 0.63 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1ujr n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ujr n GLU 18 N -1.44 0.62 0.25 0.54 1.02 -1.26 -3.65 120.64 116.72 1ujr n GLU 18 Ca 0.07 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.50 1ujr n GLU 18 Cb 0.23 -1.79 0.59 0.00 -0.02 0.00 0.00 31.44 30.46 1ujr n GLU 18 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujr h GLU 19 N 0.00 0.00 0.05 3.49 3.07 -1.89 -2.27 114.58 117.03 1ujr h GLU 19 Ca -0.11 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.47 1ujr h GLU 19 Cb 1.37 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.26 1ujr h GLU 19 CO 0.03 0.10 -1.45 -0.07 -1.40 0.00 0.00 179.01 176.22 1ujr h LEU 20 N 0.00 0.16 0.00 1.33 3.38 -1.66 -3.21 115.31 115.32 1ujr h LEU 20 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ujr h LEU 20 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ujr h LEU 20 CO 0.01 1.20 0.00 0.29 0.09 0.00 0.00 178.44 180.04 1ujr n LYS 21 N -3.30 0.16 -0.61 1.13 5.02 -0.99 -3.57 118.16 116.01 1ujr n LYS 21 Ca -0.12 0.07 0.48 0.00 -2.02 0.00 0.00 58.31 56.72 1ujr n LYS 21 Cb 1.02 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 35.29 1ujr n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ujr h ALA 22 N 2.99 3.69 -0.12 7.82 0.00 -1.42 -0.29 119.26 131.92 1ujr h ALA 22 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ujr h ALA 22 Cb 0.33 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ujr h ALA 22 CO 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 179.25 176.90 1ujr n ALA 23 N -2.80 -0.08 -0.14 0.00 0.00 -1.23 0.11 120.51 116.37 1ujr n ALA 23 Ca 0.40 0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1ujr n ALA 23 Cb 1.90 0.34 -0.10 0.00 0.00 0.00 0.00 19.45 21.58 1ujr n ALA 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ujr n SER 24 N -3.16 1.96 0.23 0.00 2.88 -0.35 -4.27 113.62 110.91 1ujr n SER 24 Ca 0.00 0.30 0.13 0.00 -1.33 0.00 0.00 58.87 57.97 1ujr n SER 24 Cb 0.03 -0.79 0.69 0.00 -0.75 0.00 0.00 64.21 63.39 1ujr n SER 24 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ujr h ARG 25 N -0.91 0.00 -1.46 -1.46 -0.00 -1.19 -2.49 114.38 106.87 1ujr h ARG 25 Ca -0.68 0.00 0.42 0.00 -0.50 0.00 0.00 59.98 59.22 1ujr h ARG 25 Cb 1.63 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.55 1ujr h ARG 25 CO -0.39 0.00 1.25 0.78 0.00 0.00 0.00 179.97 181.61 1ujr h GLY 26 N 0.00 0.00 1.30 0.04 0.00 0.66 1.62 103.07 106.69 1ujr h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ujr h GLY 26 CO 0.00 0.00 0.34 3.43 0.00 0.00 0.00 176.54 180.31 1ujr h ASN 27 N 0.00 0.00 0.00 0.19 2.35 -1.62 -2.96 115.58 113.54 1ujr h ASN 27 Ca 0.69 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.44 1ujr h ASN 27 Cb 3.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.55 1ujr h ASN 27 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 1ujr n GLY 28 N -1.23 -3.26 0.00 2.83 0.00 0.55 -4.94 105.19 99.13 1ujr n GLY 28 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.93 0.58 -4.33 1.61 -0.58 0.14 -4.86 120.64 112.26 1ujr n GLU 29 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1ujr n GLU 29 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 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 -1.03 1.91 0.22 -0.32 -0.85 -1.26 0.08 117.35 116.10 1ujr s TYR 30 Ca 0.00 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 1ujr s TYR 30 Cb 0.00 -0.98 -0.05 0.00 0.38 0.00 0.00 41.96 41.31 1ujr s TYR 30 CO 0.00 0.32 -0.02 0.00 -1.52 0.00 0.00 175.55 174.32 1ujr s ALA 31 N -1.68 1.75 -0.06 9.51 0.00 0.12 -4.63 121.76 126.77 1ujr s ALA 31 Ca 0.14 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 1ujr s ALA 31 Cb -0.08 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1ujr s ALA 31 CO 0.06 -0.22 0.02 -1.58 0.00 0.00 0.00 175.76 174.05 1ujr s TRP 32 N -3.39 3.20 0.10 0.00 0.52 -1.26 0.23 118.94 118.33 1ujr s TRP 32 Ca 0.26 0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.67 1ujr s TRP 32 Cb 0.05 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1ujr s TRP 32 CO 0.07 0.50 -0.22 0.71 0.02 0.00 0.00 176.95 178.03 1ujr s TYR 33 N -0.97 1.87 -0.02 -1.98 1.51 0.96 -2.80 117.35 115.92 1ujr s TYR 33 Ca 0.16 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1ujr s TYR 33 Cb -0.11 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1ujr s TYR 33 CO 0.05 0.21 -0.03 1.52 -1.11 0.00 0.00 175.55 176.19 1ujr s TYR 34 N -1.10 0.46 -0.32 2.71 -0.85 0.84 0.02 117.35 119.11 1ujr s TYR 34 Ca 0.08 -0.08 -0.29 0.00 -0.52 0.00 0.00 57.07 56.25 1ujr s TYR 34 Cb -0.10 -0.42 -0.13 0.00 0.38 0.00 0.00 41.96 41.70 1ujr s TYR 34 CO 0.04 -0.10 1.14 -1.91 -1.52 0.00 0.00 175.55 173.20 1ujr n GLU 35 N 3.66 0.00 -0.20 -3.49 4.07 0.11 0.03 120.64 124.82 1ujr n GLU 35 Ca -0.21 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.89 1ujr n GLU 35 Cb 0.53 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 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 3.31 2.38 0.11 8.31 0.00 0.12 -4.59 105.19 114.84 1ujr n GLY 36 Ca 0.25 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 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 0.31 0.02 1.61 9.65 -1.94 -3.36 114.38 120.67 1ujr h ARG 37 Ca 0.00 -0.53 -0.22 0.00 -1.10 0.00 0.00 59.98 58.13 1ujr h ARG 37 Cb 0.00 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1ujr h ARG 37 CO 0.00 1.25 -1.17 -0.91 2.80 0.00 0.00 179.97 181.93 1ujr h ASN 38 N 0.08 0.08 0.00 -3.80 4.21 -1.99 -3.50 115.58 110.66 1ujr h ASN 38 Ca -0.16 -0.65 0.00 0.00 1.21 0.00 0.00 56.30 56.70 1ujr h ASN 38 Cb 2.01 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 39.18 1ujr h ASN 38 CO 0.21 1.47 0.00 0.61 -1.29 0.00 0.00 177.43 178.43 1ujr n GLY 39 N 1.54 -1.72 3.14 2.83 0.00 -1.26 -5.11 105.19 104.61 1ujr n GLY 39 Ca -0.28 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 2.77 -0.18 1.61 0.52 -1.26 0.11 118.94 122.51 1ujr s TRP 40 Ca 0.00 -1.54 -0.15 0.00 0.02 0.00 0.00 56.10 54.44 1ujr s TRP 40 Cb 0.00 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 1ujr s TRP 40 CO 0.00 -0.75 0.34 -1.58 0.02 0.00 0.00 176.95 174.98 1ujr s TRP 41 N 1.20 3.42 -0.12 -1.98 0.23 0.10 -4.67 118.94 117.12 1ujr s TRP 41 Ca 0.03 0.60 -0.19 0.00 -2.03 0.00 0.00 56.10 54.50 1ujr s TRP 41 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 33.47 30.89 1ujr s TRP 41 CO -0.10 0.11 0.52 -1.14 0.96 0.00 0.00 176.95 177.31 1ujr s GLN 42 N 0.88 4.33 1.22 4.98 0.74 -1.26 -0.11 119.66 130.44 1ujr s GLN 42 Ca 0.18 0.52 -0.20 0.00 0.05 0.00 0.00 55.36 55.90 1ujr s GLN 42 Cb -0.14 -3.46 0.32 0.00 1.10 0.00 0.00 33.01 30.83 1ujr s GLN 42 CO 0.06 0.09 0.74 0.66 -0.55 0.00 0.00 175.29 176.29 1ujr n TYR 43 N 3.89 -3.53 0.00 1.67 4.01 -1.12 -5.00 117.16 117.09 1ujr n TYR 43 Ca -0.06 -0.70 -0.00 0.00 -0.16 0.00 0.00 57.90 56.99 1ujr n TYR 43 Cb 0.51 -1.04 -0.00 0.00 -0.31 0.00 0.00 39.34 38.50 1ujr n TYR 43 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ujr h ASP 44 N -3.32 -0.01 0.00 7.72 3.32 -1.97 -3.49 116.42 118.67 1ujr h ASP 44 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1ujr h ASP 44 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1ujr h ASP 44 CO 0.20 0.01 0.00 1.21 -1.72 0.00 0.00 179.24 178.94 1ujr n GLU 45 N -2.13 0.00 0.03 3.56 2.13 -1.26 -4.98 120.64 117.99 1ujr n GLU 45 Ca -0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1ujr n GLU 45 Cb 0.01 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.12 -0.86 5.31 2.43 -1.95 -1.61 114.38 117.59 1ujr h ARG 46 Ca 0.00 0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.49 1ujr h ARG 46 Cb 0.00 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.42 1ujr h ARG 46 CO 0.00 -0.08 0.30 2.41 -1.51 0.00 0.00 179.97 181.09 1ujr n THR 47 N -3.26 -0.36 -0.03 0.20 -1.04 -1.26 0.18 114.28 108.71 1ujr n THR 47 Ca -0.02 1.79 -0.13 0.00 -2.04 0.00 0.00 64.05 63.65 1ujr n THR 47 Cb 0.05 -2.80 -0.09 0.00 -1.82 0.00 0.00 70.33 65.67 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 0.16 -0.37 8.00 4.64 -1.93 -2.78 113.55 121.27 1ujr h SER 48 Ca 0.65 -0.54 0.11 0.00 -0.47 0.00 0.00 61.79 61.54 1ujr h SER 48 Cb 1.62 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1ujr h SER 48 CO -0.71 0.68 0.65 0.03 -0.87 0.00 0.00 176.83 176.61 1ujr h ARG 49 N -0.34 0.00 0.07 4.77 2.47 0.30 1.32 114.38 122.97 1ujr h ARG 49 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.43 1ujr h ARG 49 Cb 0.64 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1ujr h ARG 49 CO 0.02 0.00 -1.56 0.93 0.56 0.00 0.00 179.97 179.92 1ujr h GLU 50 N 0.00 0.15 -0.32 0.04 4.39 -0.96 -2.70 114.58 115.19 1ujr h GLU 50 Ca 0.17 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.66 1ujr h GLU 50 Cb 1.48 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.18 1ujr h GLU 50 CO -0.00 0.95 0.03 -0.07 -1.16 0.00 0.00 179.01 178.75 1ujr h LEU 51 N 0.04 -0.06 -0.08 1.33 3.38 0.20 0.31 115.31 120.43 1ujr h LEU 51 Ca -0.24 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1ujr h LEU 51 Cb 1.99 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1ujr h LEU 51 CO 0.13 0.00 -0.14 -0.08 0.09 0.00 0.00 178.44 178.44 1ujr h GLU 52 N 0.13 0.23 -0.88 1.13 4.22 -1.58 0.33 114.58 118.16 1ujr h GLU 52 Ca 0.15 -0.15 0.19 0.00 0.08 0.00 0.00 59.36 59.64 1ujr h GLU 52 Cb 0.19 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 1ujr h GLU 52 CO -0.23 0.73 0.42 0.22 -2.18 0.00 0.00 179.01 177.97 1ujr h ASP 53 N -0.23 0.42 0.12 1.04 3.58 -1.12 1.56 116.42 121.79 1ujr h ASP 53 Ca 0.00 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1ujr h ASP 53 Cb 0.72 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1ujr h ASP 53 CO 0.03 0.09 -0.06 0.00 -2.88 0.00 0.00 179.24 176.42 1ujr h ALA 54 N 1.65 -0.16 -0.73 -0.78 0.00 -0.33 -1.65 119.26 117.26 1ujr h ALA 54 Ca 0.53 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.41 1ujr h ALA 54 Cb 0.91 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1ujr h ALA 54 CO -0.46 -0.18 0.12 0.35 0.00 0.00 0.00 179.25 179.08 1ujr h PHE 55 N -0.97 0.17 0.52 0.00 3.57 0.37 0.74 116.94 121.34 1ujr h PHE 55 Ca -0.02 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ujr h PHE 55 Cb 0.42 0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.21 1ujr h PHE 55 CO 0.08 -0.13 -0.25 1.03 -2.23 0.00 0.00 178.31 176.80 1ujr h SER 56 N 0.21 -0.59 -1.56 0.41 0.87 0.21 -2.83 113.55 110.26 1ujr h SER 56 Ca 0.41 0.02 0.51 0.00 -1.23 0.00 0.00 61.79 61.50 1ujr h SER 56 Cb 0.71 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 62.70 1ujr h SER 56 CO -0.55 -0.34 1.05 0.11 -0.53 0.00 0.00 176.83 176.57 1ujr h LYS 57 N -0.88 0.00 0.00 2.24 1.57 -0.82 -3.42 116.57 115.26 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 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ujr h LYS 57 CO 0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1ujr n GLY 58 N -1.64 1.11 3.66 3.86 0.00 0.22 -5.04 105.19 107.35 1ujr n GLY 58 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 2.81 0.07 1.61 5.02 0.23 -4.85 118.16 123.05 1ujr n LYS 59 Ca 0.00 1.03 -0.22 0.00 -2.02 0.00 0.00 58.31 57.10 1ujr n LYS 59 Cb 0.00 -3.00 -0.15 0.00 -0.02 0.00 0.00 35.03 31.87 1ujr n LYS 59 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1ujr h LYS 60 N 10.63 0.37 -4.76 1.97 2.10 -1.90 -3.11 116.57 121.88 1ujr h LYS 60 Ca -0.50 -0.62 -0.69 0.00 -2.00 0.00 0.00 60.65 56.84 1ujr h LYS 60 Cb 1.24 0.23 -0.32 0.00 -0.90 0.00 0.00 32.23 32.48 1ujr h LYS 60 CO 0.94 1.28 -0.69 0.54 -2.00 0.00 0.00 179.45 179.52 1ujr s ASN 61 N -7.23 4.96 -0.24 7.07 2.20 -1.26 0.37 114.94 120.81 1ujr s ASN 61 Ca -0.15 -1.24 -0.04 0.00 -0.94 0.00 0.00 52.86 50.48 1ujr s ASN 61 Cb 0.06 -1.74 -0.00 0.00 -2.00 0.00 0.00 41.25 37.57 1ujr s ASN 61 CO 0.85 -0.27 -0.01 0.28 -2.94 0.00 0.00 177.10 175.01 1ujr s THR 62 N 1.28 3.52 0.34 0.54 -1.32 0.12 -4.96 115.64 115.16 1ujr s THR 62 Ca -0.05 -0.58 -0.22 0.00 -1.21 0.00 0.00 61.69 59.63 1ujr s THR 62 Cb -0.20 -2.68 -0.10 0.00 -1.51 0.00 0.00 72.50 68.01 1ujr s THR 62 CO -0.00 0.31 0.89 -1.61 -2.21 0.00 0.00 174.62 171.99 1ujr s GLU 63 N 1.47 4.37 0.07 7.08 2.02 -1.26 0.27 118.70 132.72 1ujr s GLU 63 Ca 0.04 1.13 -0.00 0.00 0.02 0.00 0.00 54.97 56.16 1ujr s GLU 63 Cb -0.15 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1ujr s GLU 63 CO -0.02 0.19 -0.04 0.00 0.02 0.00 0.00 175.26 175.42 1ujr s MET 64 N -2.47 0.69 -0.34 1.61 0.23 0.84 -4.87 119.30 114.99 1ujr s MET 64 Ca 0.53 -1.27 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1ujr s MET 64 Cb -0.15 0.08 0.08 0.00 -1.53 0.00 0.00 34.83 33.32 1ujr s MET 64 CO 0.19 -0.09 0.07 -1.17 -2.03 0.00 0.00 175.02 171.99 1ujr s LEU 65 N -2.96 4.53 0.70 0.18 2.96 -1.26 0.54 118.68 123.36 1ujr s LEU 65 Ca 0.09 -1.78 -0.05 0.00 -0.22 0.00 0.00 54.13 52.17 1ujr s LEU 65 Cb 0.07 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 45.13 1ujr s LEU 65 CO -0.08 -0.38 0.99 -0.63 -1.32 0.00 0.00 176.35 174.93 1ujr s ILE 66 N 1.10 2.31 -0.95 6.68 -1.09 0.14 -4.85 121.20 124.55 1ujr s ILE 66 Ca 0.03 -0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 57.92 1ujr s ILE 66 Cb -0.21 -2.94 -0.27 0.00 -1.58 0.00 0.00 42.46 37.46 1ujr s ILE 66 CO -0.04 0.00 2.31 0.00 -1.23 0.00 0.00 174.94 175.98 1ujr n ALA 67 N -2.86 0.83 -3.83 9.38 0.00 -1.26 0.29 120.51 123.06 1ujr n ALA 67 Ca 0.09 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 1ujr n ALA 67 Cb 0.60 -2.54 0.02 0.00 0.00 0.00 0.00 19.45 17.54 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 5.92 -0.38 3.15 0.00 0.00 -1.26 -4.95 105.19 107.67 1ujr n GLY 68 Ca 0.63 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.52 -1.58 -0.22 1.61 0.08 0.15 -5.12 117.98 109.37 1ujr s PHE 69 Ca 0.32 0.94 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 1ujr s PHE 69 Cb -0.16 0.28 -0.02 0.00 -0.57 0.00 0.00 43.02 42.55 1ujr s PHE 69 CO 0.83 -0.92 1.47 -1.17 -0.10 0.00 0.00 175.22 175.33 1ujr s LEU 70 N 2.86 3.98 0.42 -0.37 2.96 -1.26 0.27 118.68 127.53 1ujr s LEU 70 Ca 0.14 1.56 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 1ujr s LEU 70 Cb -0.08 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1ujr s LEU 70 CO -0.25 -1.10 0.21 -0.31 -1.32 0.00 0.00 176.35 173.59 1ujr s TYR 71 N 4.57 2.58 -0.18 5.38 2.02 0.19 0.03 117.35 131.95 1ujr s TYR 71 Ca 0.64 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1ujr s TYR 71 Cb -0.23 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1ujr s TYR 71 CO 0.25 0.12 -0.01 0.08 -1.57 0.00 0.00 175.55 174.42 1ujr s VAL 72 N -2.59 0.87 -0.37 0.71 1.01 0.16 -0.11 120.40 120.08 1ujr s VAL 72 Ca 0.41 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1ujr s VAL 72 Cb 0.03 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1ujr s VAL 72 CO 0.23 -0.05 0.74 0.00 0.00 0.00 0.00 175.10 176.02 1ujr s ALA 73 N 1.72 3.43 -0.52 5.51 0.00 0.14 0.13 121.76 132.17 1ujr s ALA 73 Ca -0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1ujr s ALA 73 Cb -0.16 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1ujr s ALA 73 CO -0.07 -1.48 0.49 0.34 0.00 0.00 0.00 175.76 175.03 1ujr s ASP 74 N 1.85 6.18 0.36 0.00 2.15 0.12 0.14 116.67 127.47 1ujr s ASP 74 Ca 0.29 -1.56 0.17 0.00 0.43 0.00 0.00 52.55 51.88 1ujr s ASP 74 Cb -0.13 -2.21 0.66 0.00 -0.30 0.00 0.00 42.92 40.93 1ujr s ASP 74 CO 0.17 -0.81 1.73 -0.07 -0.17 0.00 0.00 175.17 176.02 1ujr h LEU 75 N 8.96 0.00 -0.40 -1.34 3.38 -0.33 0.55 115.31 126.13 1ujr h LEU 75 Ca -0.29 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1ujr h LEU 75 Cb 1.10 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1ujr h LEU 75 CO 0.99 0.40 -0.23 -0.33 0.09 0.00 0.00 178.44 179.36 1ujr h GLU 76 N 0.00 -0.15 -0.02 1.13 4.39 -1.88 -1.70 114.58 116.35 1ujr h GLU 76 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ujr h GLU 76 Cb 0.89 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1ujr h GLU 76 CO 0.05 -0.10 -0.38 0.09 -1.16 0.00 0.00 179.01 177.51 1ujr n ASN 77 N -5.39 1.96 -2.73 1.42 3.02 -1.19 -4.98 115.26 107.37 1ujr n ASN 77 Ca 0.02 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 52.95 1ujr n ASN 77 Cb 0.30 0.43 0.06 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.07 -5.10 -3.78 3.52 2.81 0.14 -4.92 117.12 109.87 1ujr n MET 78 Ca 0.09 0.60 -0.13 0.00 -1.81 0.00 0.00 57.70 56.45 1ujr n MET 78 Cb 0.43 -4.92 -0.12 0.00 -0.71 0.00 0.00 33.22 27.90 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 -3.25 -0.01 -0.17 2.03 -7.23 0.14 -0.11 120.40 111.79 1ujr s VAL 79 Ca 0.15 0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.31 1ujr s VAL 79 Cb -0.07 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1ujr s VAL 79 CO 0.52 0.01 -0.01 0.00 -0.31 0.00 0.00 175.10 175.32 1ujr s GLN 80 N 0.38 3.70 0.02 4.82 -2.07 0.12 0.13 119.66 126.76 1ujr s GLN 80 Ca -0.02 -0.50 0.06 0.00 -1.82 0.00 0.00 55.36 53.08 1ujr s GLN 80 Cb -0.04 -3.01 -0.02 0.00 -1.09 0.00 0.00 33.01 28.85 1ujr s GLN 80 CO -0.02 0.17 -0.17 1.52 -1.32 0.00 0.00 175.29 175.47 1ujr s TYR 81 N 0.59 1.53 0.65 9.60 -0.85 0.12 0.25 117.35 129.24 1ujr s TYR 81 Ca -0.01 -0.33 -0.17 0.00 -0.52 0.00 0.00 57.07 56.03 1ujr s TYR 81 Cb -0.14 -0.94 -0.08 0.00 0.38 0.00 0.00 41.96 41.18 1ujr s TYR 81 CO 0.02 0.03 0.30 -2.13 -1.52 0.00 0.00 175.55 172.26 1ujr n ARG 82 N 2.15 0.28 0.00 -3.49 0.63 0.10 0.36 116.66 116.71 1ujr n ARG 82 Ca -0.16 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1ujr n ARG 82 Cb 0.54 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1ujr n ARG 82 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ujr n ARG 83 N 0.18 0.00 -0.07 -0.14 5.12 0.11 -3.76 116.66 118.09 1ujr n ARG 83 Ca 0.09 0.59 -0.18 0.00 -1.93 0.00 0.00 57.85 56.43 1ujr n ARG 83 Cb 0.49 -1.24 -0.13 0.00 -1.16 0.00 0.00 32.46 30.42 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1ujr h ASN 84 N 0.00 0.05 -0.06 0.55 2.35 -1.90 -3.40 115.58 113.17 1ujr h ASN 84 Ca 0.00 -0.79 -0.54 0.00 -0.55 0.00 0.00 56.30 54.42 1ujr h ASN 84 Cb 0.00 -0.02 0.07 0.00 0.05 0.00 0.00 38.32 38.43 1ujr h ASN 84 CO 0.00 1.27 1.63 1.21 -1.65 0.00 0.00 177.43 179.88 1ujr n GLU 85 N -4.46 0.85 -0.33 0.81 4.07 -1.25 -4.63 120.64 115.69 1ujr n GLU 85 Ca -0.20 -1.60 0.05 0.00 -0.06 0.00 0.00 57.16 55.35 1ujr n GLU 85 Cb 0.61 -2.95 0.20 0.00 -0.06 0.00 0.00 31.44 29.24 1ujr n GLU 85 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1ujr h HIS 86 N 9.19 1.04 -0.66 4.31 2.76 -1.78 -2.09 115.15 127.91 1ujr h HIS 86 Ca 0.30 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.62 1ujr h HIS 86 Cb 0.74 -0.33 -0.12 0.00 1.55 0.00 0.00 27.41 29.25 1ujr h HIS 86 CO 1.13 0.44 -0.36 0.78 -1.30 0.00 0.00 177.93 178.62 1ujr h GLY 87 N 0.94 -0.13 -6.47 5.26 0.00 -1.90 -3.36 103.07 97.41 1ujr h GLY 87 Ca 0.45 0.47 -0.57 0.00 0.00 0.00 0.00 47.33 47.68 1ujr h GLY 87 CO -0.24 -0.20 1.19 0.50 0.00 0.00 0.00 176.54 177.79 1ujr s ARG 88 N -5.96 3.58 0.22 4.80 0.52 -0.80 -4.93 118.95 116.38 1ujr s ARG 88 Ca -0.14 1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 56.39 1ujr s ARG 88 Cb 0.16 -4.11 0.04 0.00 0.52 0.00 0.00 34.95 31.56 1ujr s ARG 88 CO 0.69 -1.56 0.64 -0.98 0.02 0.00 0.00 175.30 174.11 1ujr s ARG 89 N 5.13 1.54 0.04 3.54 1.04 -1.26 0.03 118.95 129.00 1ujr s ARG 89 Ca 0.75 -0.79 -0.13 0.00 -1.04 0.00 0.00 55.73 54.51 1ujr s ARG 89 Cb -0.23 0.58 0.02 0.00 -2.04 0.00 0.00 34.95 33.28 1ujr s ARG 89 CO 0.32 -0.69 0.29 1.03 -0.04 0.00 0.00 175.30 176.21 1ujr s ARG 90 N -3.86 0.78 0.41 3.89 3.00 0.14 -4.96 118.95 118.36 1ujr s ARG 90 Ca 0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 55.73 55.08 1ujr s ARG 90 Cb -0.03 0.34 -0.09 0.00 0.00 0.00 0.00 34.95 35.17 1ujr s ARG 90 CO -0.02 -0.24 1.08 0.15 0.00 0.00 0.00 175.30 176.27 1ujr s LYS 91 N -2.42 4.08 0.01 3.54 1.02 -1.26 0.16 119.74 124.87 1ujr s LYS 91 Ca -0.06 1.58 0.07 0.00 0.02 0.00 0.00 55.97 57.58 1ujr s LYS 91 Cb -0.01 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1ujr s LYS 91 CO -0.03 -0.23 -0.23 0.96 -0.92 0.00 0.00 175.35 174.91 1ujr s ILE 92 N -1.62 1.80 0.14 2.17 -4.36 0.84 0.04 121.20 120.20 1ujr s ILE 92 Ca 0.59 -1.09 -0.01 0.00 -0.26 0.00 0.00 60.65 59.88 1ujr s ILE 92 Cb -0.24 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 1ujr s ILE 92 CO 0.30 0.40 0.06 -1.59 0.24 0.00 0.00 174.94 174.35 1ujr s LYS 93 N -0.81 0.98 -0.30 0.37 -2.85 0.10 -4.70 119.74 112.53 1ujr s LYS 93 Ca 0.09 -1.47 -0.07 0.00 -1.00 0.00 0.00 55.97 53.51 1ujr s LYS 93 Cb -0.09 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.90 1ujr s LYS 93 CO 0.00 -0.27 0.09 0.50 0.10 0.00 0.00 175.35 175.78 1ujr s ARG 94 N -4.05 3.08 0.50 1.78 3.52 -1.26 -0.03 118.95 122.49 1ujr s ARG 94 Ca 0.26 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 55.05 1ujr s ARG 94 Cb 0.07 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1ujr s ARG 94 CO 0.03 -0.46 0.33 0.34 -0.81 0.00 0.00 175.30 174.74 1ujr s ASP 95 N 1.51 4.63 -0.13 -2.12 2.15 0.13 -4.96 116.67 117.88 1ujr s ASP 95 Ca 0.03 -1.16 -0.06 0.00 0.43 0.00 0.00 52.55 51.79 1ujr s ASP 95 Cb -0.17 0.09 -0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1ujr s ASP 95 CO 0.03 -0.91 0.08 -0.63 -0.17 0.00 0.00 175.17 173.56 1ujr s ILE 96 N -2.70 4.94 0.20 4.11 -1.09 -1.26 0.11 121.20 125.51 1ujr s ILE 96 Ca 0.36 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 1ujr s ILE 96 Cb -0.01 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.67 1ujr s ILE 96 CO 0.21 0.56 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.82 1ujr s ILE 97 N -0.54 1.07 0.00 2.92 -1.09 0.11 -4.69 121.20 118.99 1ujr s ILE 97 Ca 0.11 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.48 1ujr s ILE 97 Cb -0.12 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1ujr s ILE 97 CO 0.02 -0.45 0.00 -0.67 -1.23 0.00 0.00 174.94 172.61 1ujr n ASP 98 N -0.35 0.00 -1.18 3.58 -0.08 -1.26 0.27 116.55 117.53 1ujr n ASP 98 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1ujr n ASP 98 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ujr n ILE 99 N 0.00 -3.89 -2.32 5.18 5.41 -1.26 0.23 119.36 122.70 1ujr n ILE 99 Ca 0.00 1.68 -0.41 0.00 1.00 0.00 0.00 62.75 65.02 1ujr n ILE 99 Cb 0.00 -2.36 -0.03 0.00 -0.71 0.00 0.00 39.64 36.54 1ujr n ILE 99 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ujr s PRO 100 N -4.45 3.22 -0.23 0.38 0.04 -1.26 -4.43 135.00 128.27 1ujr s PRO 100 Ca 0.00 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 1ujr s PRO 100 Cb 0.00 -4.16 -0.12 0.00 0.04 0.00 0.00 34.50 30.26 1ujr s PRO 100 CO 0.00 -2.04 -0.20 1.17 0.04 0.00 0.00 177.00 175.98 1ujr n LYS 101 N 8.73 0.56 -0.16 4.56 4.81 -1.26 -3.93 118.16 131.48 1ujr n LYS 101 Ca 0.14 0.36 -0.02 0.00 -0.87 0.00 0.00 58.31 57.91 1ujr n LYS 101 Cb 0.49 -1.57 0.06 0.00 0.02 0.00 0.00 35.03 34.04 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ujr h LYS 102 N -1.00 0.22 0.01 1.64 3.64 -1.96 -2.86 116.57 116.26 1ujr h LYS 102 Ca -0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1ujr h LYS 102 Cb 1.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1ujr h LYS 102 CO -0.26 0.14 -0.14 0.78 -2.27 0.00 0.00 179.45 177.71 1ujr h GLY 103 N 0.23 -1.29 -5.74 5.01 0.00 -1.97 -3.37 103.07 95.93 1ujr h GLY 103 Ca 0.25 0.60 -0.56 0.00 0.00 0.00 0.00 47.33 47.61 1ujr h GLY 103 CO -0.33 -0.44 1.08 0.54 0.00 0.00 0.00 176.54 177.39 1ujr s VAL 104 N -3.72 3.78 0.06 4.60 0.11 -1.08 -4.97 120.40 119.18 1ujr s VAL 104 Ca -0.04 0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 59.77 1ujr s VAL 104 Cb 0.02 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1ujr s VAL 104 CO 0.16 -0.23 0.31 -0.55 -3.33 0.00 0.00 175.10 171.46 1ujr s SER 105 N 3.63 -0.13 0.00 3.54 0.15 -1.26 -4.79 113.70 114.84 1ujr s SER 105 Ca 0.69 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1ujr s SER 105 Cb -0.26 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ujr s SER 105 CO 0.27 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ujr n GLY 106 N 0.38 3.28 3.71 9.45 0.00 -1.26 -5.07 105.19 115.68 1ujr n GLY 106 Ca -0.18 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 2.93 4.43 0.08 1.61 0.04 -1.26 -5.03 135.00 137.81 1ujr s PRO 107 Ca 0.00 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1ujr s PRO 107 Cb 0.00 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1ujr s PRO 107 CO 0.00 -0.27 -0.02 -1.12 0.04 0.00 0.00 177.00 175.63 1ujr s SER 108 N 1.14 0.59 -0.07 6.66 0.01 -1.26 -5.09 113.70 115.67 1ujr s SER 108 Ca 0.57 -1.05 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1ujr s SER 108 Cb -0.28 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1ujr s SER 108 CO 0.28 -0.60 -0.21 -0.24 0.41 0.00 0.00 173.24 172.88 1ujr n SER 109 N 0.03 1.51 0.00 2.44 2.88 -1.26 -5.32 113.62 113.90 1ujr n SER 109 Ca -0.12 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ujr n SER 109 Cb 0.62 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1ujr n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42