#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr s SER 2 N 0.00 -0.10 0.20 3.54 0.15 -1.26 -5.19 113.70 111.04 1ujr s SER 2 Ca 0.00 0.12 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 1ujr s SER 2 Cb 0.00 0.09 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1ujr s SER 2 CO 0.00 -0.09 0.88 -0.94 1.20 0.00 0.00 173.24 174.29 1ujr s SER 3 N -0.95 -0.20 0.02 5.45 1.04 -1.26 -5.19 113.70 112.61 1ujr s SER 3 Ca 0.07 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1ujr s SER 3 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1ujr s SER 3 CO -0.07 -1.05 0.07 0.61 0.98 0.00 0.00 173.24 173.77 1ujr n GLY 4 N -0.47 1.56 3.38 7.32 0.00 -1.26 -5.19 105.19 110.52 1ujr n GLY 4 Ca -0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1ujr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujr s SER 5 N -1.16 -0.40 -0.43 1.61 0.01 -1.26 -5.13 113.70 106.94 1ujr s SER 5 Ca 0.01 0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.12 1ujr s SER 5 Cb -0.00 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.75 1ujr s SER 5 CO 0.01 -0.78 0.48 -0.55 0.41 0.00 0.00 173.24 172.80 1ujr s SER 6 N -2.27 6.22 0.00 2.44 0.15 -1.26 -4.67 113.70 114.31 1ujr s SER 6 Ca -0.03 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1ujr s SER 6 Cb -0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1ujr s SER 6 CO -0.06 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1ujr n GLY 7 N 5.10 -2.00 3.55 9.45 0.00 -1.26 -5.12 105.19 114.91 1ujr n GLY 7 Ca -0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -1.09 0.13 1.61 -0.71 -1.26 -5.10 117.98 111.56 1ujr s PHE 8 Ca 0.00 2.04 0.00 0.00 -1.04 0.00 0.00 56.93 57.93 1ujr s PHE 8 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 1ujr s PHE 8 CO 0.00 -0.56 0.00 -0.11 -1.34 0.00 0.00 175.22 173.21 1ujr n LEU 9 N 4.92 -4.15 0.14 -1.99 0.00 -1.26 -5.06 117.00 109.60 1ujr n LEU 9 Ca -0.15 1.69 0.00 0.00 0.00 0.00 0.00 56.01 57.55 1ujr n LEU 9 Cb 0.53 -1.91 0.00 0.00 0.00 0.00 0.00 43.42 42.04 1ujr n LEU 9 CO -0.01 -0.79 0.00 -0.67 0.00 0.00 0.00 177.39 175.92 1ujr n ASP 10 N 0.79 -2.45 -2.99 1.96 2.03 -1.26 -5.03 116.55 109.61 1ujr n ASP 10 Ca 0.00 0.65 -0.16 0.00 0.52 0.00 0.00 54.79 55.80 1ujr n ASP 10 Cb 0.00 2.45 -0.01 0.00 -0.72 0.00 0.00 41.12 42.85 1ujr n ASP 10 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ujr n LYS 11 N -3.14 0.79 -1.55 -0.67 2.85 -1.26 -5.14 118.16 110.04 1ujr n LYS 11 Ca 0.00 -2.57 -0.30 0.00 -1.05 0.00 0.00 58.31 54.39 1ujr n LYS 11 Cb 0.00 -1.34 0.09 0.00 -0.65 0.00 0.00 35.03 33.12 1ujr n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ujr s PRO 12 N -0.49 2.13 0.40 -1.58 0.04 -1.26 -4.97 135.00 129.27 1ujr s PRO 12 Ca 0.33 0.66 -0.24 0.00 0.04 0.00 0.00 61.00 61.79 1ujr s PRO 12 Cb 0.22 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 1ujr s PRO 12 CO -0.15 -1.59 0.93 2.41 0.04 0.00 0.00 177.00 178.63 1ujr n THR 13 N -3.42 2.29 -0.68 1.26 -1.04 -1.26 -4.90 114.28 106.53 1ujr n THR 13 Ca 0.07 -0.50 0.07 0.00 -2.04 0.00 0.00 64.05 61.65 1ujr n THR 13 Cb 0.56 -1.02 0.12 0.00 -1.82 0.00 0.00 70.33 68.17 1ujr n THR 13 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ujr n LEU 14 N 0.73 2.50 -4.06 -4.42 -0.00 -1.26 -5.06 117.00 105.43 1ujr n LEU 14 Ca 0.10 -2.68 -0.36 0.00 -0.00 0.00 0.00 56.01 53.07 1ujr n LEU 14 Cb 0.38 -0.31 0.05 0.00 -0.00 0.00 0.00 43.42 43.55 1ujr n LEU 14 CO 0.57 0.65 -1.18 0.00 -0.00 0.00 0.00 177.39 177.42 1ujr n LEU 15 N -0.89 -5.06 -4.98 -1.96 -0.00 -1.26 -4.96 117.00 97.88 1ujr n LEU 15 Ca 0.12 0.19 -0.23 0.00 -0.00 0.00 0.00 56.01 56.09 1ujr n LEU 15 Cb 0.55 -0.82 0.09 0.00 -0.00 0.00 0.00 43.42 43.24 1ujr n LEU 15 CO 0.03 -5.55 0.51 -0.44 -0.00 0.00 0.00 177.39 171.95 1ujr s SER 16 N -1.15 4.60 0.50 1.45 0.01 -1.26 -4.99 113.70 112.86 1ujr s SER 16 Ca 0.42 -0.18 0.29 0.00 1.31 0.00 0.00 55.95 57.79 1ujr s SER 16 Cb -0.17 -0.35 0.87 0.00 0.21 0.00 0.00 66.02 66.58 1ujr s SER 16 CO 0.80 -1.67 1.80 1.55 0.41 0.00 0.00 173.24 176.13 1ujr h PRO 17 N -0.40 0.00 -0.09 12.44 0.13 -2.02 -3.06 132.00 139.00 1ujr h PRO 17 Ca -0.39 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.54 1ujr h PRO 17 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ujr h PRO 17 CO 0.45 0.00 -0.77 0.93 -0.23 0.00 0.00 178.00 178.38 1ujr h GLU 18 N 0.00 0.53 -0.48 0.86 5.08 -2.00 -3.00 114.58 115.57 1ujr h GLU 18 Ca 0.00 -0.44 0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1ujr h GLU 18 Cb 0.75 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ujr h GLU 18 CO 0.00 1.07 0.38 1.49 -1.00 0.00 0.00 179.01 180.96 1ujr h GLU 19 N 0.35 0.00 0.18 2.33 4.22 -1.93 1.05 114.58 120.78 1ujr h GLU 19 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 1ujr h GLU 19 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ujr h GLU 19 CO 0.14 0.00 -0.09 1.25 -2.18 0.00 0.00 179.01 178.13 1ujr h LEU 20 N 0.00 -0.21 -0.68 1.64 5.85 -1.65 -3.09 115.31 117.17 1ujr h LEU 20 Ca 0.23 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1ujr h LEU 20 Cb 0.99 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1ujr h LEU 20 CO -0.00 0.29 0.20 0.11 -0.34 0.00 0.00 178.44 178.70 1ujr h LYS 21 N -0.80 1.06 -1.11 1.25 6.56 -1.21 -2.24 116.57 120.09 1ujr h LYS 21 Ca -0.03 -0.23 0.34 0.00 -1.06 0.00 0.00 60.65 59.67 1ujr h LYS 21 Cb 0.52 -0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 31.90 1ujr h LYS 21 CO 0.04 0.93 0.68 0.00 -2.06 0.00 0.00 179.45 179.04 1ujr h ALA 22 N 1.09 2.26 -0.08 3.86 0.00 0.10 0.42 119.26 126.92 1ujr h ALA 22 Ca 0.22 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1ujr h ALA 22 Cb 0.32 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1ujr h ALA 22 CO -0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 179.25 178.02 1ujr h ALA 23 N 1.71 -0.57 0.47 0.00 0.00 -1.31 0.71 119.26 120.27 1ujr h ALA 23 Ca 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.60 1ujr h ALA 23 Cb 1.90 0.72 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1ujr h ALA 23 CO -0.47 -0.91 -0.23 1.03 0.00 0.00 0.00 179.25 178.68 1ujr h SER 24 N -0.50 -0.54 -1.52 0.00 0.87 -0.39 -2.96 113.55 108.51 1ujr h SER 24 Ca 0.07 0.02 0.49 0.00 -1.23 0.00 0.00 61.79 61.14 1ujr h SER 24 Cb 0.62 0.14 -0.12 0.00 -0.44 0.00 0.00 62.40 62.60 1ujr h SER 24 CO -0.35 -0.29 1.02 0.03 -0.53 0.00 0.00 176.83 176.71 1ujr h ARG 25 N -0.82 0.02 -1.06 2.24 3.08 -0.87 1.17 114.38 118.14 1ujr h ARG 25 Ca -0.06 -0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.27 1ujr h ARG 25 Cb 0.49 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 1ujr h ARG 25 CO 0.11 0.02 0.67 0.78 -1.07 0.00 0.00 179.97 180.47 1ujr h GLY 26 N 0.02 1.41 0.69 0.04 0.00 0.62 0.95 103.07 106.79 1ujr h GLY 26 Ca 0.88 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 48.07 1ujr h GLY 26 CO -0.33 -0.21 0.58 3.43 0.00 0.00 0.00 176.54 180.02 1ujr h ASN 27 N 0.39 0.00 -0.44 0.19 2.35 0.13 -2.46 115.58 115.74 1ujr h ASN 27 Ca 0.64 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.43 1ujr h ASN 27 Cb 1.57 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.89 1ujr h ASN 27 CO -0.36 0.00 -0.26 0.61 -1.65 0.00 0.00 177.43 175.77 1ujr n GLY 28 N -1.41 -2.70 0.00 2.83 0.00 0.33 -4.82 105.19 99.41 1ujr n GLY 28 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -4.00 0.00 -3.75 1.61 -0.58 0.11 -4.98 120.64 109.05 1ujr n GLU 29 Ca 0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 1ujr n GLU 29 Cb 0.12 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.84 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 -2.94 -0.18 0.20 -0.32 -0.85 -1.25 0.11 117.35 112.11 1ujr s TYR 30 Ca 0.00 0.51 0.05 0.00 -0.52 0.00 0.00 57.07 57.11 1ujr s TYR 30 Cb 0.00 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 1ujr s TYR 30 CO 0.00 -0.17 0.23 0.00 -1.52 0.00 0.00 175.55 174.10 1ujr s ALA 31 N 1.08 3.75 0.15 9.51 0.00 0.12 -4.80 121.76 131.57 1ujr s ALA 31 Ca -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1ujr s ALA 31 Cb -0.10 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1ujr s ALA 31 CO -0.06 0.40 0.29 -1.58 0.00 0.00 0.00 175.76 174.81 1ujr s TRP 32 N -1.89 3.49 -0.01 0.00 0.52 -1.26 0.26 118.94 120.04 1ujr s TRP 32 Ca 0.33 0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.53 1ujr s TRP 32 Cb -0.10 -1.68 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1ujr s TRP 32 CO 0.26 0.51 0.09 0.71 0.02 0.00 0.00 176.95 178.55 1ujr s TYR 33 N -1.74 0.03 0.09 -1.98 1.51 0.14 -3.70 117.35 111.70 1ujr s TYR 33 Ca 0.35 -0.07 0.08 0.00 -1.01 0.00 0.00 57.07 56.43 1ujr s TYR 33 Cb -0.11 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.66 1ujr s TYR 33 CO 0.28 -0.18 -0.22 1.52 -1.11 0.00 0.00 175.55 175.84 1ujr s TYR 34 N -0.88 1.89 -0.44 2.71 1.13 0.12 0.28 117.35 122.15 1ujr s TYR 34 Ca -0.10 -0.40 -0.40 0.00 -1.41 0.00 0.00 57.07 54.76 1ujr s TYR 34 Cb -0.06 -1.06 -0.17 0.00 -1.10 0.00 0.00 41.96 39.57 1ujr s TYR 34 CO 0.01 0.19 1.69 -1.91 -2.51 0.00 0.00 175.55 173.02 1ujr n GLU 35 N 1.27 0.00 -4.35 -3.49 2.13 0.13 -0.06 120.64 116.26 1ujr n GLU 35 Ca -0.19 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.39 1ujr n GLU 35 Cb 0.53 -1.32 -0.09 0.00 0.27 0.00 0.00 31.44 30.83 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 4.20 1.74 0.23 8.31 0.00 0.94 -4.67 107.32 118.06 1ujr s GLY 36 Ca 1.00 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 1ujr s GLY 36 CO 0.64 -1.76 1.59 3.21 0.00 0.00 0.00 173.10 176.79 1ujr h ARG 37 N 2.22 -0.03 -0.44 2.90 2.47 -1.93 0.48 114.38 120.05 1ujr h ARG 37 Ca -0.43 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.15 1ujr h ARG 37 Cb 1.24 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1ujr h ARG 37 CO 0.59 -0.02 -0.28 -0.91 0.56 0.00 0.00 179.97 179.91 1ujr h ASN 38 N -0.03 1.00 0.00 7.04 4.21 -1.99 -3.48 115.58 122.34 1ujr h ASN 38 Ca 0.35 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1ujr h ASN 38 Cb 0.57 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1ujr h ASN 38 CO -0.80 1.21 0.00 0.61 -1.29 0.00 0.00 177.43 177.15 1ujr n GLY 39 N -0.03 -0.97 2.89 2.83 0.00 0.17 -5.11 105.19 104.96 1ujr n GLY 39 Ca -0.01 0.43 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 0.75 0.04 1.61 0.52 -1.26 -0.04 118.94 120.55 1ujr s TRP 40 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1ujr s TRP 40 Cb 0.00 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1ujr s TRP 40 CO 0.00 -0.20 -0.17 -1.58 0.02 0.00 0.00 176.95 175.02 1ujr s TRP 41 N 0.96 2.58 0.10 -1.98 0.23 0.91 -4.67 118.94 117.06 1ujr s TRP 41 Ca -0.10 -0.24 -0.14 0.00 -2.03 0.00 0.00 56.10 53.58 1ujr s TRP 41 Cb -0.14 -1.48 -0.06 0.00 0.03 0.00 0.00 33.47 31.82 1ujr s TRP 41 CO -0.00 0.25 0.49 -1.14 0.96 0.00 0.00 176.95 177.51 1ujr s GLN 42 N -1.41 3.94 1.03 4.98 0.74 -1.26 0.10 119.66 127.78 1ujr s GLN 42 Ca 0.15 0.43 -0.12 0.00 0.05 0.00 0.00 55.36 55.86 1ujr s GLN 42 Cb -0.11 -3.03 0.21 0.00 1.10 0.00 0.00 33.01 31.18 1ujr s GLN 42 CO 0.05 0.55 1.08 0.71 -0.55 0.00 0.00 175.29 177.14 1ujr s TYR 43 N -1.34 1.96 0.01 1.67 2.02 -1.24 -4.96 117.35 115.47 1ujr s TYR 43 Ca 0.33 1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 58.02 1ujr s TYR 43 Cb -0.16 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.15 1ujr s TYR 43 CO 0.18 -3.07 1.09 -0.44 -1.57 0.00 0.00 175.55 171.74 1ujr h ASP 44 N -2.03 -0.21 0.00 2.29 5.19 -1.97 -3.48 116.42 116.21 1ujr h ASP 44 Ca -0.56 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1ujr h ASP 44 Cb 1.33 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1ujr h ASP 44 CO 0.56 -0.11 0.00 1.21 -3.12 0.00 0.00 179.24 177.77 1ujr n GLU 45 N -2.71 0.00 0.13 3.56 2.13 -1.26 -5.00 120.64 117.49 1ujr n GLU 45 Ca -0.02 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.70 1ujr n GLU 45 Cb 0.08 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.73 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 -0.38 -0.87 5.31 2.43 -1.98 -2.33 114.38 116.56 1ujr h ARG 46 Ca 0.00 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1ujr h ARG 46 Cb 0.00 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 29.47 1ujr h ARG 46 CO 0.00 -0.08 -0.23 2.41 -1.51 0.00 0.00 179.97 180.56 1ujr n THR 47 N -5.05 -0.37 0.07 0.20 -1.04 -1.26 0.90 114.28 107.73 1ujr n THR 47 Ca -0.07 2.00 -0.13 0.00 -2.04 0.00 0.00 64.05 63.81 1ujr n THR 47 Cb 0.24 -2.76 -0.08 0.00 -1.82 0.00 0.00 70.33 65.91 1ujr n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ujr h SER 48 N 0.00 -0.12 -1.20 8.00 0.02 -1.93 -0.53 113.55 117.78 1ujr h SER 48 Ca 0.41 -0.16 0.35 0.00 -0.84 0.00 0.00 61.79 61.54 1ujr h SER 48 Cb 0.63 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1ujr h SER 48 CO -0.90 0.09 1.08 0.03 -1.14 0.00 0.00 176.83 176.00 1ujr h ARG 49 N -0.34 0.00 0.06 3.45 2.47 0.11 1.70 114.38 121.83 1ujr h ARG 49 Ca -0.01 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.37 1ujr h ARG 49 Cb 0.28 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 1ujr h ARG 49 CO 0.02 0.00 -1.94 0.39 0.56 0.00 0.00 179.97 179.00 1ujr n GLU 50 N -3.67 0.70 0.10 0.04 -0.58 -0.43 -3.46 120.64 113.33 1ujr n GLU 50 Ca 0.27 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 57.12 1ujr n GLU 50 Cb 1.46 -1.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.53 1ujr n GLU 50 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ujr h LEU 51 N 0.03 -0.20 -0.98 -4.62 3.38 0.39 0.15 115.31 113.45 1ujr h LEU 51 Ca -0.39 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.51 1ujr h LEU 51 Cb 2.03 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.76 1ujr h LEU 51 CO 0.07 0.06 0.62 1.05 0.09 0.00 0.00 178.44 180.33 1ujr h GLU 52 N -0.46 1.01 0.75 1.13 4.11 -0.26 0.16 114.58 121.01 1ujr h GLU 52 Ca -0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 1ujr h GLU 52 Cb 0.36 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ujr h GLU 52 CO 0.04 0.67 -0.36 -0.44 0.07 0.00 0.00 179.01 178.99 1ujr h ASP 53 N 1.04 -0.85 -0.30 3.06 5.19 -1.54 -0.97 116.42 122.06 1ujr h ASP 53 Ca 0.46 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.92 1ujr h ASP 53 Cb 0.35 0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.03 1ujr h ASP 53 CO -0.23 -0.49 -0.33 0.00 -3.12 0.00 0.00 179.24 175.08 1ujr h ALA 54 N -1.18 -0.54 -0.72 3.45 0.00 -0.31 1.43 119.26 121.40 1ujr h ALA 54 Ca -0.10 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ujr h ALA 54 Cb 0.78 1.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.44 1ujr h ALA 54 CO 0.17 -0.71 -0.27 0.35 0.00 0.00 0.00 179.25 178.79 1ujr h PHE 55 N -0.19 -0.69 0.35 0.00 3.57 -1.03 0.69 116.94 119.64 1ujr h PHE 55 Ca 0.05 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1ujr h PHE 55 Cb 0.33 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ujr h PHE 55 CO -0.73 -0.36 -0.17 1.03 -2.23 0.00 0.00 178.31 175.85 1ujr h SER 56 N -0.07 -0.40 -1.00 0.41 0.87 0.34 -2.86 113.55 110.85 1ujr h SER 56 Ca 0.31 0.01 0.34 0.00 -1.23 0.00 0.00 61.79 61.23 1ujr h SER 56 Cb 0.56 0.10 -0.18 0.00 -0.44 0.00 0.00 62.40 62.44 1ujr h SER 56 CO -0.76 -0.28 0.27 0.29 -0.53 0.00 0.00 176.83 175.82 1ujr n LYS 57 N -3.33 -0.07 0.00 2.24 5.02 0.47 -4.74 118.16 117.76 1ujr n LYS 57 Ca -0.06 1.44 0.00 0.00 -2.02 0.00 0.00 58.31 57.67 1ujr n LYS 57 Cb 0.19 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1ujr n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ujr n GLY 58 N -1.38 0.91 3.63 0.72 0.00 0.21 -5.07 105.19 104.21 1ujr n GLY 58 Ca 0.30 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 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 1.67 -0.10 1.61 5.02 0.68 -4.89 118.16 122.14 1ujr n LYS 59 Ca 0.00 0.59 -0.19 0.00 -2.02 0.00 0.00 58.31 56.69 1ujr n LYS 59 Cb 0.00 -2.04 -0.09 0.00 -0.02 0.00 0.00 35.03 32.87 1ujr n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ujr n LYS 60 N 0.64 0.54 -4.32 1.97 4.01 -1.26 -3.95 118.16 115.79 1ujr n LYS 60 Ca 0.08 0.56 -0.33 0.00 -0.51 0.00 0.00 58.31 58.10 1ujr n LYS 60 Cb 0.34 -1.73 -0.16 0.00 -0.51 0.00 0.00 35.03 32.97 1ujr n LYS 60 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1ujr s ASN 61 N -6.66 3.38 -0.18 4.39 0.01 -1.26 0.23 114.94 114.85 1ujr s ASN 61 Ca -0.27 -0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 51.25 1ujr s ASN 61 Cb 0.05 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 1ujr s ASN 61 CO 0.51 0.04 0.03 0.28 -1.51 0.00 0.00 177.10 176.45 1ujr s THR 62 N 1.09 4.46 -0.23 1.60 -1.32 0.14 -4.94 115.64 116.44 1ujr s THR 62 Ca -0.00 -0.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.11 1ujr s THR 62 Cb -0.14 -3.00 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 1ujr s THR 62 CO -0.06 0.46 0.71 -1.61 -2.21 0.00 0.00 174.62 171.90 1ujr s GLU 63 N 0.51 4.17 0.26 7.08 2.02 -1.26 0.16 118.70 131.63 1ujr s GLU 63 Ca 0.01 0.72 0.12 0.00 0.02 0.00 0.00 54.97 55.84 1ujr s GLU 63 Cb -0.13 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1ujr s GLU 63 CO 0.01 -0.41 -0.20 0.00 0.02 0.00 0.00 175.26 174.69 1ujr s MET 64 N 2.48 1.63 -0.29 1.61 0.23 0.13 -4.97 119.30 120.11 1ujr s MET 64 Ca 0.30 -1.72 0.01 0.00 -1.03 0.00 0.00 55.69 53.26 1ujr s MET 64 Cb -0.16 -1.72 0.08 0.00 -1.53 0.00 0.00 34.83 31.51 1ujr s MET 64 CO 0.09 0.33 0.02 -1.17 -2.03 0.00 0.00 175.02 172.25 1ujr s LEU 65 N -3.37 3.13 0.76 0.18 0.20 -1.26 0.53 118.68 118.85 1ujr s LEU 65 Ca 0.28 -1.59 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 1ujr s LEU 65 Cb -0.05 -1.23 0.08 0.00 -0.43 0.00 0.00 46.19 44.56 1ujr s LEU 65 CO 0.14 -0.33 1.09 -0.63 -0.29 0.00 0.00 176.35 176.33 1ujr s ILE 66 N 1.31 2.16 -0.95 6.68 -1.09 0.13 -4.82 121.20 124.61 1ujr s ILE 66 Ca 0.03 -0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.15 1ujr s ILE 66 Cb -0.18 -2.99 -0.29 0.00 -1.58 0.00 0.00 42.46 37.42 1ujr s ILE 66 CO -0.12 0.00 2.22 0.00 -1.23 0.00 0.00 174.94 175.81 1ujr n ALA 67 N -3.12 0.95 -3.59 9.38 0.00 -1.26 0.39 120.51 123.26 1ujr n ALA 67 Ca 0.09 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 1ujr n ALA 67 Cb 0.61 -2.59 0.07 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 5.80 -0.40 3.15 0.00 0.00 -1.26 -4.98 105.19 107.50 1ujr n GLY 68 Ca 0.63 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.83 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 -3.42 -1.77 -0.30 1.61 0.08 0.16 -5.11 117.98 109.23 1ujr s PHE 69 Ca 0.21 0.82 -0.28 0.00 0.12 0.00 0.00 56.93 57.80 1ujr s PHE 69 Cb -0.10 0.28 -0.02 0.00 -0.57 0.00 0.00 43.02 42.61 1ujr s PHE 69 CO 0.76 -1.10 1.85 -1.17 -0.10 0.00 0.00 175.22 175.46 1ujr s LEU 70 N 2.56 3.54 0.32 -0.37 2.96 -1.26 0.20 118.68 126.62 1ujr s LEU 70 Ca 0.12 1.45 0.09 0.00 -0.22 0.00 0.00 54.13 55.56 1ujr s LEU 70 Cb -0.09 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1ujr s LEU 70 CO -0.21 -1.70 0.03 -0.31 -1.32 0.00 0.00 176.35 172.84 1ujr s TYR 71 N 6.93 2.62 -0.07 5.38 2.02 0.19 -0.06 117.35 134.36 1ujr s TYR 71 Ca 0.83 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1ujr s TYR 71 Cb -0.25 -1.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1ujr s TYR 71 CO 0.34 0.50 0.06 0.08 -1.57 0.00 0.00 175.55 174.95 1ujr s VAL 72 N -2.44 -0.02 -0.28 0.71 1.01 0.15 0.22 120.40 119.74 1ujr s VAL 72 Ca 0.34 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1ujr s VAL 72 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1ujr s VAL 72 CO 0.20 0.10 0.57 0.00 0.00 0.00 0.00 175.10 175.96 1ujr s ALA 73 N 2.13 3.57 -0.48 5.51 0.00 0.12 0.14 121.76 132.75 1ujr s ALA 73 Ca 0.04 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1ujr s ALA 73 Cb -0.13 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.10 1ujr s ALA 73 CO -0.05 -0.90 0.39 0.34 0.00 0.00 0.00 175.76 175.55 1ujr s ASP 74 N 1.58 6.01 0.15 0.00 -1.08 0.15 0.28 116.67 123.77 1ujr s ASP 74 Ca 0.23 -1.53 -0.07 0.00 -0.52 0.00 0.00 52.55 50.65 1ujr s ASP 74 Cb -0.15 -2.13 -0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1ujr s ASP 74 CO 0.10 -0.68 1.44 -0.07 0.52 0.00 0.00 175.17 176.48 1ujr h LEU 75 N 8.69 0.79 -0.92 -1.34 3.38 -0.45 0.71 115.31 126.17 1ujr h LEU 75 Ca -0.27 -0.44 0.26 0.00 0.09 0.00 0.00 57.88 57.52 1ujr h LEU 75 Cb 1.10 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 1ujr h LEU 75 CO 0.89 1.20 0.21 -0.33 0.09 0.00 0.00 178.44 180.50 1ujr h GLU 76 N 0.53 0.13 0.00 1.13 4.39 -1.90 0.43 114.58 119.30 1ujr h GLU 76 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ujr h GLU 76 Cb 1.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1ujr h GLU 76 CO 0.12 0.09 -1.07 0.09 -1.16 0.00 0.00 179.01 177.07 1ujr n ASN 77 N -5.30 0.83 -1.20 1.42 3.02 -1.18 -4.98 115.26 107.87 1ujr n ASN 77 Ca 0.23 -0.74 -0.09 0.00 -0.03 0.00 0.00 54.58 53.95 1ujr n ASN 77 Cb 0.76 1.18 0.01 0.00 -0.61 0.00 0.00 39.78 41.11 1ujr n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ujr n MET 78 N -1.58 -1.36 -3.95 3.52 1.56 0.19 -4.96 117.12 110.55 1ujr n MET 78 Ca 0.02 0.41 -0.12 0.00 -0.27 0.00 0.00 57.70 57.74 1ujr n MET 78 Cb 0.33 -4.30 -0.13 0.00 2.15 0.00 0.00 33.22 31.27 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 -2.61 0.12 -0.11 1.12 -7.23 0.17 -0.08 120.40 111.78 1ujr s VAL 79 Ca 0.06 -0.32 -0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1ujr s VAL 79 Cb -0.03 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 1ujr s VAL 79 CO 0.07 -0.13 -0.09 0.00 -0.31 0.00 0.00 175.10 174.65 1ujr s GLN 80 N -0.47 3.19 0.11 4.82 -2.07 0.12 0.31 119.66 125.67 1ujr s GLN 80 Ca -0.04 -0.60 0.05 0.00 -1.82 0.00 0.00 55.36 52.95 1ujr s GLN 80 Cb -0.03 -2.67 -0.04 0.00 -1.09 0.00 0.00 33.01 29.18 1ujr s GLN 80 CO -0.00 0.40 -0.13 1.52 -1.32 0.00 0.00 175.29 175.75 1ujr s TYR 81 N -0.10 1.29 0.32 9.60 -0.85 0.12 0.30 117.35 128.03 1ujr s TYR 81 Ca 0.00 -0.57 -0.29 0.00 -0.52 0.00 0.00 57.07 55.69 1ujr s TYR 81 Cb -0.13 -0.69 -0.10 0.00 0.38 0.00 0.00 41.96 41.42 1ujr s TYR 81 CO 0.03 0.10 1.22 0.50 -1.52 0.00 0.00 175.55 175.88 1ujr s ARG 82 N -2.62 4.45 0.00 -3.49 3.52 0.10 0.33 118.95 121.24 1ujr s ARG 82 Ca 0.07 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1ujr s ARG 82 Cb -0.05 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1ujr s ARG 82 CO 0.02 -0.04 0.76 -2.13 -0.81 0.00 0.00 175.30 173.10 1ujr n ARG 83 N 0.91 0.00 0.16 5.12 0.63 0.91 -1.87 116.66 122.53 1ujr n ARG 83 Ca -0.00 0.41 -0.15 0.00 -0.92 0.00 0.00 57.85 57.20 1ujr n ARG 83 Cb 0.43 -1.26 -0.07 0.00 0.45 0.00 0.00 32.46 32.01 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1ujr h ASN 84 N 0.00 -1.04 -2.12 6.15 2.35 -1.94 -3.20 115.58 115.79 1ujr h ASN 84 Ca 0.00 0.11 -0.74 0.00 -0.55 0.00 0.00 56.30 55.12 1ujr h ASN 84 Cb 0.00 0.37 -0.17 0.00 0.05 0.00 0.00 38.32 38.57 1ujr h ASN 84 CO 0.00 -0.47 1.40 -0.62 -1.65 0.00 0.00 177.43 176.09 1ujr n GLU 85 N -5.45 3.38 -0.06 0.81 1.02 -1.22 -4.79 120.64 114.31 1ujr n GLU 85 Ca -0.08 -3.83 0.16 0.00 -0.02 0.00 0.00 57.16 53.38 1ujr n GLU 85 Cb 0.36 -3.04 0.57 0.00 -0.02 0.00 0.00 31.44 29.31 1ujr n GLU 85 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1ujr h HIS 86 N 7.08 0.28 0.29 -0.32 2.07 -1.37 -2.45 115.15 120.74 1ujr h HIS 86 Ca 0.32 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.85 1ujr h HIS 86 Cb 0.86 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.73 1ujr h HIS 86 CO 1.11 0.12 -0.37 0.78 -3.07 0.00 0.00 177.93 176.50 1ujr h GLY 87 N 0.25 -1.13 -6.71 6.13 0.00 -1.87 -3.40 103.07 96.34 1ujr h GLY 87 Ca 0.28 0.54 -0.65 0.00 0.00 0.00 0.00 47.33 47.51 1ujr h GLY 87 CO -0.06 -0.34 1.35 0.54 0.00 0.00 0.00 176.54 178.03 1ujr n ARG 88 N -4.61 1.49 -3.86 4.80 5.12 -0.93 -4.87 116.66 113.79 1ujr n ARG 88 Ca -0.08 0.45 -0.09 0.00 -1.93 0.00 0.00 57.85 56.20 1ujr n ARG 88 Cb 0.32 -2.65 -0.04 0.00 -1.16 0.00 0.00 32.46 28.93 1ujr n ARG 88 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ujr s ARG 89 N 5.71 1.50 0.11 5.56 1.70 -1.26 0.02 118.95 132.28 1ujr s ARG 89 Ca 1.04 -1.04 -0.17 0.00 -0.47 0.00 0.00 55.73 55.09 1ujr s ARG 89 Cb -0.72 0.51 0.04 0.00 -0.57 0.00 0.00 34.95 34.21 1ujr s ARG 89 CO 0.47 -0.64 0.41 1.03 -1.08 0.00 0.00 175.30 175.49 1ujr s ARG 90 N -3.94 1.04 0.38 3.89 3.00 0.15 -4.96 118.95 118.51 1ujr s ARG 90 Ca 0.15 -0.62 -0.24 0.00 0.00 0.00 0.00 55.73 55.02 1ujr s ARG 90 Cb -0.01 0.46 -0.10 0.00 0.00 0.00 0.00 34.95 35.29 1ujr s ARG 90 CO 0.03 -0.39 0.97 0.15 0.00 0.00 0.00 175.30 176.06 1ujr s LYS 91 N -3.48 4.35 0.15 3.54 1.02 -1.26 0.14 119.74 124.19 1ujr s LYS 91 Ca 0.01 1.29 0.09 0.00 0.02 0.00 0.00 55.97 57.38 1ujr s LYS 91 Cb 0.01 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1ujr s LYS 91 CO -0.10 0.06 -0.22 0.96 -0.92 0.00 0.00 175.35 175.14 1ujr s ILE 92 N -1.84 1.96 0.17 2.17 -4.36 0.88 0.18 121.20 120.37 1ujr s ILE 92 Ca 0.57 -1.80 -0.10 0.00 -0.26 0.00 0.00 60.65 59.05 1ujr s ILE 92 Cb -0.16 -1.83 -0.00 0.00 1.25 0.00 0.00 42.46 41.72 1ujr s ILE 92 CO 0.20 -0.13 0.33 -1.59 0.24 0.00 0.00 174.94 173.99 1ujr s LYS 93 N -2.38 1.21 -0.22 0.37 -2.85 0.14 -4.77 119.74 111.24 1ujr s LYS 93 Ca 0.14 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1ujr s LYS 93 Cb -0.08 0.40 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1ujr s LYS 93 CO 0.06 -0.46 -0.13 0.50 0.10 0.00 0.00 175.35 175.43 1ujr s ARG 94 N -3.95 2.79 -0.18 1.78 3.52 -1.26 0.26 118.95 121.90 1ujr s ARG 94 Ca 0.16 -0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1ujr s ARG 94 Cb 0.02 -2.79 -0.02 0.00 -1.56 0.00 0.00 34.95 30.61 1ujr s ARG 94 CO -0.00 -0.35 -0.06 0.34 -0.81 0.00 0.00 175.30 174.42 1ujr s ASP 95 N 1.26 4.41 0.25 -2.12 -1.08 0.14 -4.94 116.67 114.59 1ujr s ASP 95 Ca 0.00 -0.29 -0.31 0.00 -0.52 0.00 0.00 52.55 51.44 1ujr s ASP 95 Cb -0.16 -1.73 -0.12 0.00 -1.46 0.00 0.00 42.92 39.45 1ujr s ASP 95 CO -0.08 0.09 1.58 -0.38 0.52 0.00 0.00 175.17 176.90 1ujr n ILE 96 N 4.07 0.67 -4.21 4.11 2.08 -1.26 0.16 119.36 124.98 1ujr n ILE 96 Ca -0.18 -0.17 -0.12 0.00 0.56 0.00 0.00 62.75 62.84 1ujr n ILE 96 Cb 0.52 -1.82 -0.10 0.00 -0.75 0.00 0.00 39.64 37.49 1ujr n ILE 96 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1ujr s ILE 97 N 0.35 0.82 0.00 1.39 -1.09 0.12 -4.75 121.20 118.04 1ujr s ILE 97 Ca 0.69 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.13 1ujr s ILE 97 Cb -0.55 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 1ujr s ILE 97 CO 0.44 -0.75 0.00 0.47 -1.23 0.00 0.00 174.94 173.87 1ujr n ASP 98 N -0.13 0.00 -4.11 3.58 8.00 -1.25 0.08 116.55 122.73 1ujr n ASP 98 Ca -0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1ujr n ASP 98 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.61 1ujr n ASP 98 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1ujr s ILE 99 N 0.00 0.54 0.99 0.53 -5.25 -1.26 -3.02 121.20 113.72 1ujr s ILE 99 Ca 0.00 -1.54 -0.15 0.00 -0.99 0.00 0.00 60.65 57.97 1ujr s ILE 99 Cb 0.00 -1.18 0.19 0.00 2.95 0.00 0.00 42.46 44.41 1ujr s ILE 99 CO 0.00 -0.69 1.17 -2.16 -1.79 0.00 0.00 174.94 171.47 1ujr s PRO 100 N -2.88 0.50 0.12 0.37 0.04 -1.26 -4.84 135.00 127.05 1ujr s PRO 100 Ca 0.02 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 1ujr s PRO 100 Cb -0.01 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1ujr s PRO 100 CO -0.03 -2.59 1.60 -0.22 0.04 0.00 0.00 177.00 175.80 1ujr h LYS 101 N -1.77 -0.50 -0.31 4.56 1.63 -2.02 0.50 116.57 118.66 1ujr h LYS 101 Ca -0.48 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.45 1ujr h LYS 101 Cb 1.30 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.03 1ujr h LYS 101 CO 0.50 -0.34 0.46 -0.22 -3.45 0.00 0.00 179.45 176.41 1ujr h LYS 102 N -0.52 0.00 0.49 1.90 1.63 -2.04 -1.80 116.57 116.23 1ujr h LYS 102 Ca 0.06 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1ujr h LYS 102 Cb 0.61 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1ujr h LYS 102 CO -0.29 0.00 -0.29 0.78 -3.45 0.00 0.00 179.45 176.20 1ujr h GLY 103 N 0.00 -0.89 -5.36 5.01 0.00 -0.31 -3.40 103.07 98.12 1ujr h GLY 103 Ca 0.15 0.36 -0.56 0.00 0.00 0.00 0.00 47.33 47.28 1ujr h GLY 103 CO -0.00 -0.31 1.02 0.54 0.00 0.00 0.00 176.54 177.79 1ujr s VAL 104 N -4.70 3.90 -0.31 4.60 0.11 -0.68 -4.84 120.40 118.47 1ujr s VAL 104 Ca -0.11 1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.95 1ujr s VAL 104 Cb 0.02 -3.73 0.26 0.00 -1.53 0.00 0.00 36.38 31.39 1ujr s VAL 104 CO 0.35 -0.14 1.24 -0.24 -3.33 0.00 0.00 175.10 172.97 1ujr n SER 105 N 7.14 -1.12 -4.64 3.54 2.88 -1.26 -4.95 113.62 115.21 1ujr n SER 105 Ca 0.16 -1.25 -0.24 0.00 -1.33 0.00 0.00 58.87 56.21 1ujr n SER 105 Cb 0.44 0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 64.39 1ujr n SER 105 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujr s GLY 106 N 0.30 1.98 -0.07 0.46 0.00 -1.26 -5.07 107.32 103.66 1ujr s GLY 106 Ca 0.24 -1.89 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 1ujr s GLY 106 CO -0.08 -1.86 0.70 -0.56 0.00 0.00 0.00 173.10 171.31 1ujr h PRO 107 N 1.80 -0.17 -1.57 2.90 0.13 -2.04 -3.49 132.00 129.55 1ujr h PRO 107 Ca -0.43 0.01 0.32 0.00 -0.87 0.00 0.00 66.00 65.03 1ujr h PRO 107 Cb 1.25 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 1ujr h PRO 107 CO 0.65 0.26 0.81 -1.54 -0.23 0.00 0.00 178.00 177.95 1ujr s SER 108 N -5.55 -0.06 0.07 1.44 1.04 -1.26 -5.18 113.70 104.20 1ujr s SER 108 Ca -0.11 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1ujr s SER 108 Cb -0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1ujr s SER 108 CO 0.42 -0.35 -0.14 -0.55 0.98 0.00 0.00 173.24 173.60 1ujr s SER 109 N -3.05 1.61 0.00 7.02 0.15 -1.26 -5.25 113.70 112.92 1ujr s SER 109 Ca 0.15 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1ujr s SER 109 Cb 0.04 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1ujr s SER 109 CO -0.03 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.93