#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 -0.15 -1.05 3.54 0.01 -1.26 -5.09 113.70 109.71 1ujr s SER 2 Ca 0.00 0.46 -0.08 0.00 1.31 0.00 0.00 55.95 57.64 1ujr s SER 2 Cb 0.00 0.36 0.26 0.00 0.21 0.00 0.00 66.02 66.85 1ujr s SER 2 CO 0.00 -0.17 1.02 -0.55 0.41 0.00 0.00 173.24 173.95 1ujr s SER 3 N 1.34 7.02 0.00 2.44 0.15 -1.26 -4.81 113.70 118.58 1ujr s SER 3 Ca -0.08 -3.53 0.00 0.00 0.70 0.00 0.00 55.95 53.03 1ujr s SER 3 Cb -0.11 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1ujr s SER 3 CO -0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1ujr n GLY 4 N 2.75 2.32 3.68 9.45 0.00 -1.26 -5.04 105.19 117.09 1ujr n GLY 4 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.28 1ujr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujr s SER 5 N 0.00 -0.05 0.10 1.61 0.15 -1.26 -4.46 113.70 109.79 1ujr s SER 5 Ca 0.00 -0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.31 1ujr s SER 5 Cb 0.00 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1ujr s SER 5 CO 0.00 -0.35 0.39 -0.44 1.20 0.00 0.00 173.24 174.03 1ujr s SER 6 N -3.10 -0.22 0.00 5.45 0.01 -1.26 -4.88 113.70 109.70 1ujr s SER 6 Ca 0.16 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1ujr s SER 6 Cb 0.04 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1ujr s SER 6 CO -0.03 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1ujr n GLY 7 N -0.06 4.69 2.73 3.44 0.00 -1.26 -4.72 105.19 110.01 1ujr n GLY 7 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1ujr n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujr n PHE 8 N 0.00 -2.93 0.00 1.61 3.01 -1.26 -5.04 117.46 112.85 1ujr n PHE 8 Ca 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 57.45 56.41 1ujr n PHE 8 Cb 0.00 1.62 0.00 0.00 -0.01 0.00 0.00 39.48 41.09 1ujr n PHE 8 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1ujr n LEU 9 N 0.59 0.00 0.00 4.37 0.00 -1.26 -5.07 117.00 115.63 1ujr n LEU 9 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1ujr n LEU 9 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.11 1ujr n LEU 9 CO 0.04 0.00 0.00 -0.90 0.00 0.00 0.00 177.39 176.53 1ujr n ASP 10 N 0.00 0.00 -2.97 1.96 5.68 -1.26 -4.25 116.55 115.71 1ujr n ASP 10 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 1ujr n ASP 10 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ujr n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ujr s LYS 11 N -2.00 0.08 0.77 0.11 -0.14 -1.26 -5.17 119.74 112.13 1ujr s LYS 11 Ca 0.00 0.03 -0.11 0.00 -1.36 0.00 0.00 55.97 54.52 1ujr s LYS 11 Cb 0.00 0.02 0.05 0.00 -1.68 0.00 0.00 37.83 36.23 1ujr s LYS 11 CO 0.00 -0.14 1.09 -1.25 -0.76 0.00 0.00 175.35 174.29 1ujr s PRO 12 N 2.57 2.32 0.02 -1.68 0.04 -1.26 -4.90 135.00 132.12 1ujr s PRO 12 Ca 0.24 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1ujr s PRO 12 Cb 0.01 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ujr s PRO 12 CO -0.20 -1.48 0.00 -2.37 0.04 0.00 0.00 177.00 173.00 1ujr n THR 13 N -3.35 0.00 0.16 1.26 5.66 -1.26 -4.92 114.28 111.83 1ujr n THR 13 Ca 0.07 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.11 1ujr n THR 13 Cb 0.56 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.54 1ujr n THR 13 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ujr n LEU 14 N -2.57 3.20 0.00 1.09 -0.00 -1.26 -4.98 117.00 112.48 1ujr n LEU 14 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.39 1ujr n LEU 14 Cb 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1ujr n LEU 14 CO 0.00 0.46 0.00 0.18 -0.00 0.00 0.00 177.39 178.03 1ujr n LEU 15 N 0.38 0.00 0.00 -1.96 4.77 -1.26 -4.99 117.00 113.94 1ujr n LEU 15 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1ujr n LEU 15 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1ujr n LEU 15 CO 0.15 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.97 1ujr n SER 16 N 10.14 0.00 0.00 -1.43 2.88 -1.26 -3.18 113.62 120.77 1ujr n SER 16 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1ujr n SER 16 Cb 0.00 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 63.97 1ujr n SER 16 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ujr n PRO 17 N -0.48 0.15 0.07 -1.46 -0.04 -1.26 -2.27 135.00 129.71 1ujr n PRO 17 Ca 0.00 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1ujr n PRO 17 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.40 0.49 0.14 0.54 -0.58 -1.26 -3.84 120.64 114.73 1ujr n GLU 18 Ca 0.08 0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1ujr n GLU 18 Cb 0.22 -1.73 0.10 0.00 -0.57 0.00 0.00 31.44 29.46 1ujr n GLU 18 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ujr h GLU 19 N 0.00 0.00 -0.36 3.49 4.22 -1.41 -3.09 114.58 117.43 1ujr h GLU 19 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ujr h GLU 19 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1ujr h GLU 19 CO 0.00 0.56 0.22 1.25 -2.18 0.00 0.00 179.01 178.86 1ujr h LEU 20 N 0.00 0.42 -1.95 1.64 6.46 -1.66 -1.38 115.31 118.83 1ujr h LEU 20 Ca -0.01 -0.02 0.52 0.00 -0.12 0.00 0.00 57.88 58.25 1ujr h LEU 20 Cb 1.29 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 41.05 1ujr h LEU 20 CO 0.07 0.32 1.31 0.11 -0.62 0.00 0.00 178.44 179.63 1ujr h LYS 21 N 0.49 0.00 -0.20 1.25 6.56 -1.73 0.24 116.57 123.17 1ujr h LYS 21 Ca 0.13 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.75 1ujr h LYS 21 Cb -0.02 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 1ujr h LYS 21 CO -0.03 0.00 -0.40 0.00 -2.06 0.00 0.00 179.45 176.96 1ujr h ALA 22 N 1.06 -0.71 -0.14 3.86 0.00 -1.47 0.94 119.26 122.80 1ujr h ALA 22 Ca 0.85 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.77 1ujr h ALA 22 Cb 3.45 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 22.19 1ujr h ALA 22 CO -0.01 -0.88 0.26 0.00 0.00 0.00 0.00 179.25 178.62 1ujr h ALA 23 N -0.49 1.60 0.00 0.00 0.00 -0.75 1.07 119.26 120.69 1ujr h ALA 23 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ujr h ALA 23 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ujr h ALA 23 CO -0.38 -0.33 0.00 0.45 0.00 0.00 0.00 179.25 178.99 1ujr n SER 24 N -3.39 0.00 -0.62 0.00 2.88 0.32 -3.49 113.62 109.32 1ujr n SER 24 Ca 0.01 0.31 0.49 0.00 -1.33 0.00 0.00 58.87 58.34 1ujr n SER 24 Cb 0.36 -0.41 0.75 0.00 -0.75 0.00 0.00 64.21 64.15 1ujr n SER 24 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ujr n ARG 25 N -1.41 0.00 -0.64 -1.46 1.85 0.37 -0.06 116.66 115.31 1ujr n ARG 25 Ca 0.06 1.06 0.48 0.00 -1.00 0.00 0.00 57.85 58.45 1ujr n ARG 25 Cb 0.18 -2.47 0.75 0.00 -1.05 0.00 0.00 32.46 29.87 1ujr n ARG 25 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ujr n GLY 26 N -1.88 -0.90 0.40 2.89 0.00 -1.23 0.37 105.19 104.85 1ujr n GLY 26 Ca 0.40 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.92 1ujr n GLY 26 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ujr h ASN 27 N 0.00 -1.25 0.00 1.61 -0.73 -0.79 -3.48 115.58 110.94 1ujr h ASN 27 Ca 0.86 0.12 0.00 0.00 1.87 0.00 0.00 56.30 59.15 1ujr h ASN 27 Cb 3.42 0.44 0.00 0.00 0.27 0.00 0.00 38.32 42.45 1ujr h ASN 27 CO -0.04 -0.50 0.00 0.61 -0.37 0.00 0.00 177.43 177.13 1ujr n GLY 28 N -1.43 0.77 3.17 1.57 0.00 0.16 -5.07 105.19 104.36 1ujr n GLY 28 Ca -0.08 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1ujr n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujr s GLU 29 N -1.37 3.00 0.44 1.61 0.41 0.12 -4.93 118.70 117.99 1ujr s GLU 29 Ca 0.00 -2.62 -0.21 0.00 -0.41 0.00 0.00 54.97 51.73 1ujr s GLU 29 Cb 0.00 -3.99 -0.14 0.00 -1.78 0.00 0.00 34.13 28.22 1ujr s GLU 29 CO 0.00 -1.22 0.27 0.66 -0.49 0.00 0.00 175.26 174.48 1ujr n TYR 30 N 3.47 -1.48 -3.65 1.61 4.02 -1.26 0.08 117.16 119.95 1ujr n TYR 30 Ca 0.12 0.58 -0.06 0.00 -0.01 0.00 0.00 57.90 58.52 1ujr n TYR 30 Cb 0.40 -1.86 -0.07 0.00 -0.02 0.00 0.00 39.34 37.79 1ujr n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ujr s ALA 31 N -1.65 -1.80 -0.12 -0.72 0.00 0.19 -4.66 121.76 113.00 1ujr s ALA 31 Ca 0.61 2.30 -0.04 0.00 0.00 0.00 0.00 51.96 54.83 1ujr s ALA 31 Cb -0.59 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1ujr s ALA 31 CO 0.61 -0.48 0.03 -1.58 0.00 0.00 0.00 175.76 174.34 1ujr s TRP 32 N 1.86 3.22 0.26 0.00 0.52 -1.26 -0.06 118.94 123.49 1ujr s TRP 32 Ca -0.09 0.16 0.10 0.00 0.02 0.00 0.00 56.10 56.30 1ujr s TRP 32 Cb -0.07 -1.88 -0.05 0.00 -1.15 0.00 0.00 33.47 30.33 1ujr s TRP 32 CO -0.19 0.39 -0.09 0.71 0.02 0.00 0.00 176.95 177.79 1ujr s TYR 33 N -0.54 2.53 0.05 -1.98 1.51 0.12 -1.11 117.35 117.93 1ujr s TYR 33 Ca 0.10 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1ujr s TYR 33 Cb -0.12 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1ujr s TYR 33 CO 0.02 0.65 -0.05 1.52 -1.11 0.00 0.00 175.55 176.58 1ujr s TYR 34 N -2.33 0.59 -0.90 2.71 1.13 0.14 0.24 117.35 118.93 1ujr s TYR 34 Ca 0.30 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.93 1ujr s TYR 34 Cb -0.06 -0.38 -0.20 0.00 -1.10 0.00 0.00 41.96 40.22 1ujr s TYR 34 CO 0.17 -0.20 2.61 -1.91 -2.51 0.00 0.00 175.55 173.71 1ujr n GLU 35 N 0.80 0.21 -3.49 -3.49 2.13 0.11 -0.01 120.64 116.90 1ujr n GLU 35 Ca -0.18 -0.02 -0.21 0.00 0.66 0.00 0.00 57.16 57.41 1ujr n GLU 35 Cb 0.58 -1.88 -0.01 0.00 0.27 0.00 0.00 31.44 30.41 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 9.06 1.48 0.20 8.31 0.00 0.14 -4.78 107.32 121.72 1ujr s GLY 36 Ca 1.28 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 1ujr s GLY 36 CO 0.44 -1.21 1.70 3.21 0.00 0.00 0.00 173.10 177.25 1ujr h ARG 37 N 0.86 0.21 -0.04 2.90 2.47 -1.93 0.38 114.38 119.23 1ujr h ARG 37 Ca -0.48 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.08 1ujr h ARG 37 Cb 1.25 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1ujr h ARG 37 CO 0.56 0.14 -0.68 -0.91 0.56 0.00 0.00 179.97 179.65 1ujr h ASN 38 N 0.21 0.22 0.00 7.04 2.35 -1.98 -3.48 115.58 119.95 1ujr h ASN 38 Ca 0.27 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1ujr h ASN 38 Cb 0.40 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1ujr h ASN 38 CO -0.38 0.83 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 1ujr n GLY 39 N 0.42 -0.81 2.90 2.83 0.00 0.12 -5.11 105.19 105.54 1ujr n GLY 39 Ca -0.02 0.39 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 0.63 -0.05 1.61 0.52 -1.26 0.28 118.94 120.67 1ujr s TRP 40 Ca 0.00 -0.15 0.06 0.00 0.02 0.00 0.00 56.10 56.03 1ujr s TRP 40 Cb 0.00 -0.55 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 1ujr s TRP 40 CO 0.00 -0.14 -0.23 -1.58 0.02 0.00 0.00 176.95 175.02 1ujr s TRP 41 N 0.70 2.24 0.48 -1.98 0.23 0.99 -4.66 118.94 116.94 1ujr s TRP 41 Ca -0.09 -0.61 -0.20 0.00 -2.03 0.00 0.00 56.10 53.17 1ujr s TRP 41 Cb -0.12 -1.47 -0.09 0.00 0.03 0.00 0.00 33.47 31.83 1ujr s TRP 41 CO -0.00 -0.17 1.03 -1.14 0.96 0.00 0.00 176.95 177.63 1ujr s GLN 42 N -0.21 3.83 0.52 4.98 0.74 -1.26 0.24 119.66 128.50 1ujr s GLN 42 Ca -0.01 1.35 -0.08 0.00 0.05 0.00 0.00 55.36 56.67 1ujr s GLN 42 Cb -0.12 -2.10 0.12 0.00 1.10 0.00 0.00 33.01 32.00 1ujr s GLN 42 CO 0.02 -0.40 0.71 0.66 -0.55 0.00 0.00 175.29 175.73 1ujr n TYR 43 N -0.94 -3.93 0.00 1.67 4.01 -0.27 -4.89 117.16 112.81 1ujr n TYR 43 Ca 0.09 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1ujr n TYR 43 Cb 0.53 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -3.43 0.00 0.00 7.72 2.03 -1.26 -4.97 116.55 116.64 1ujr n ASP 44 Ca 0.09 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1ujr n ASP 44 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.19 0.00 -0.12 -0.67 2.13 -1.26 -4.97 120.64 115.57 1ujr n GLU 45 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1ujr n GLU 45 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 1ujr n GLU 45 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1ujr h ARG 46 N 0.00 0.86 0.13 5.31 0.11 -2.00 -2.44 114.38 116.36 1ujr h ARG 46 Ca 0.00 -0.35 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 1ujr h ARG 46 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1ujr h ARG 46 CO 0.00 0.99 -0.06 1.15 0.10 0.00 0.00 179.97 182.15 1ujr h THR 47 N 0.75 0.00 -1.67 0.08 2.02 -1.99 -3.26 112.91 108.83 1ujr h THR 47 Ca 0.10 -0.38 0.53 0.00 0.77 0.00 0.00 66.41 67.43 1ujr h THR 47 Cb 0.75 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.05 1ujr h THR 47 CO 0.06 0.00 1.15 -1.20 0.37 0.00 0.00 175.52 175.90 1ujr n SER 48 N -3.54 0.11 -0.24 4.18 7.64 -1.25 0.25 113.62 120.78 1ujr n SER 48 Ca -0.02 1.21 0.31 0.00 1.01 0.00 0.00 58.87 61.38 1ujr n SER 48 Cb 0.07 -0.60 0.73 0.00 -1.01 0.00 0.00 64.21 63.40 1ujr n SER 48 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ujr h ARG 49 N 0.00 0.01 0.04 1.43 2.47 -1.48 0.12 114.38 116.98 1ujr h ARG 49 Ca 0.92 -0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 59.28 1ujr h ARG 49 Cb 3.31 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 31.58 1ujr h ARG 49 CO -0.26 0.01 -2.14 -0.85 0.56 0.00 0.00 179.97 177.29 1ujr n GLU 50 N -4.24 0.69 -0.19 0.04 0.28 0.69 -3.41 120.64 114.50 1ujr n GLU 50 Ca 0.21 0.19 -0.02 0.00 -0.16 0.00 0.00 57.16 57.38 1ujr n GLU 50 Cb 1.07 -1.64 0.05 0.00 1.43 0.00 0.00 31.44 32.34 1ujr n GLU 50 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ujr h LEU 51 N 0.02 -0.63 0.16 -1.84 4.07 -0.47 0.38 115.31 117.00 1ujr h LEU 51 Ca -0.46 0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 1ujr h LEU 51 Cb 2.03 0.39 0.00 0.00 1.08 0.00 0.00 40.66 44.16 1ujr h LEU 51 CO 0.03 -0.21 -0.07 1.05 -1.08 0.00 0.00 178.44 178.15 1ujr h GLU 52 N -0.03 -0.20 -0.74 1.13 4.11 -1.44 0.15 114.58 117.56 1ujr h GLU 52 Ca 0.27 0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.79 1ujr h GLU 52 Cb 0.45 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1ujr h GLU 52 CO -0.61 0.19 -0.56 -0.44 0.07 0.00 0.00 179.01 177.66 1ujr h ASP 53 N -0.66 -1.99 0.28 3.06 5.19 -1.36 1.50 116.42 122.46 1ujr h ASP 53 Ca -0.02 0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1ujr h ASP 53 Cb 0.48 0.86 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1ujr h ASP 53 CO 0.04 -0.31 -0.14 0.00 -3.12 0.00 0.00 179.24 175.71 1ujr h ALA 54 N 0.32 -1.10 -0.87 3.45 0.00 -0.33 1.02 119.26 121.75 1ujr h ALA 54 Ca 0.13 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.11 1ujr h ALA 54 Cb 0.50 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1ujr h ALA 54 CO -0.79 -1.07 -0.29 0.34 0.00 0.00 0.00 179.25 177.44 1ujr n PHE 55 N -3.03 0.15 0.29 0.00 7.35 0.04 0.12 117.46 122.38 1ujr n PHE 55 Ca -0.05 1.06 -0.12 0.00 -0.76 0.00 0.00 57.45 57.59 1ujr n PHE 55 Cb 0.15 -0.90 -0.06 0.00 0.35 0.00 0.00 39.48 39.03 1ujr n PHE 55 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ujr h SER 56 N 0.00 -0.65 -1.29 -2.13 0.87 0.22 -2.95 113.55 107.62 1ujr h SER 56 Ca 0.35 0.02 0.44 0.00 -1.23 0.00 0.00 61.79 61.37 1ujr h SER 56 Cb 0.57 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.56 1ujr h SER 56 CO -0.87 -0.34 0.82 0.11 -0.53 0.00 0.00 176.83 176.02 1ujr h LYS 57 N -1.02 0.07 0.00 2.24 1.57 0.29 -3.43 116.57 116.29 1ujr h LYS 57 Ca -0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ujr h LYS 57 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ujr h LYS 57 CO 0.13 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 1ujr n GLY 58 N -1.49 1.36 3.42 3.86 0.00 0.33 -5.05 105.19 107.62 1ujr n GLY 58 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 0.44 -0.11 1.61 5.02 0.04 -4.88 118.16 120.28 1ujr n LYS 59 Ca 0.00 0.17 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 1ujr n LYS 59 Cb 0.00 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.38 0.54 -4.39 1.97 4.01 -1.26 -4.14 118.16 115.28 1ujr n LYS 60 Ca 0.11 0.34 -0.26 0.00 -0.51 0.00 0.00 58.31 57.98 1ujr n LYS 60 Cb 0.46 -1.54 -0.12 0.00 -0.51 0.00 0.00 35.03 33.31 1ujr n LYS 60 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ujr s ASN 61 N -6.59 3.19 -0.13 4.39 2.20 -1.26 0.17 114.94 116.90 1ujr s ASN 61 Ca -0.30 -0.82 -0.05 0.00 -0.94 0.00 0.00 52.86 50.75 1ujr s ASN 61 Cb 0.08 -0.22 0.06 0.00 -2.00 0.00 0.00 41.25 39.17 1ujr s ASN 61 CO 0.44 0.11 0.27 0.28 -2.94 0.00 0.00 177.10 175.26 1ujr s THR 62 N -1.52 -0.39 -0.08 0.54 -1.32 0.11 -4.95 115.64 108.03 1ujr s THR 62 Ca 0.17 0.26 -0.14 0.00 -1.21 0.00 0.00 61.69 60.77 1ujr s THR 62 Cb -0.08 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 1ujr s THR 62 CO 0.08 0.11 0.36 -1.83 -2.21 0.00 0.00 174.62 171.12 1ujr s GLU 63 N 2.32 4.03 0.12 7.08 -1.05 -1.26 0.09 118.70 130.03 1ujr s GLU 63 Ca -0.00 0.27 0.07 0.00 -0.15 0.00 0.00 54.97 55.16 1ujr s GLU 63 Cb -0.12 -3.31 -0.04 0.00 -0.44 0.00 0.00 34.13 30.22 1ujr s GLU 63 CO -0.09 0.49 -0.17 0.00 0.95 0.00 0.00 175.26 176.43 1ujr s MET 64 N -0.36 1.10 -0.49 -4.83 0.23 0.15 -4.95 119.30 110.15 1ujr s MET 64 Ca 0.21 -1.22 -0.13 0.00 -1.03 0.00 0.00 55.69 53.52 1ujr s MET 64 Cb -0.15 -1.17 0.11 0.00 -1.53 0.00 0.00 34.83 32.09 1ujr s MET 64 CO 0.09 0.25 0.39 -1.17 -2.03 0.00 0.00 175.02 172.55 1ujr s LEU 65 N -2.24 5.76 0.73 0.18 2.96 -1.26 -0.05 118.68 124.76 1ujr s LEU 65 Ca 0.09 -1.70 -0.06 0.00 -0.22 0.00 0.00 54.13 52.24 1ujr s LEU 65 Cb -0.07 -2.11 0.10 0.00 0.50 0.00 0.00 46.19 44.61 1ujr s LEU 65 CO 0.04 -0.72 1.03 -0.63 -1.32 0.00 0.00 176.35 174.76 1ujr s ILE 66 N 1.50 2.24 -0.95 6.68 -1.09 0.14 -4.83 121.20 124.89 1ujr s ILE 66 Ca 0.04 -0.36 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 1ujr s ILE 66 Cb -0.27 -2.88 -0.30 0.00 -1.58 0.00 0.00 42.46 37.43 1ujr s ILE 66 CO 0.02 0.00 2.18 0.00 -1.23 0.00 0.00 174.94 175.92 1ujr n ALA 67 N -2.96 0.88 -4.03 9.38 0.00 -1.26 0.40 120.51 122.92 1ujr n ALA 67 Ca 0.11 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 1ujr n ALA 67 Cb 0.60 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 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 5.49 -0.20 3.30 0.00 0.00 -1.26 -4.94 105.19 107.57 1ujr n GLY 68 Ca 0.64 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 -4.05 -1.48 -0.29 1.61 0.08 0.16 -5.12 117.98 108.89 1ujr s PHE 69 Ca 0.00 1.87 -0.29 0.00 0.12 0.00 0.00 56.93 58.64 1ujr s PHE 69 Cb -0.00 0.62 0.00 0.00 -0.57 0.00 0.00 43.02 43.07 1ujr s PHE 69 CO 0.91 -0.80 1.27 -0.51 -0.10 0.00 0.00 175.22 175.99 1ujr s LEU 70 N 2.85 3.92 0.16 -0.37 2.01 -1.26 0.25 118.68 126.24 1ujr s LEU 70 Ca 0.12 1.23 0.09 0.00 0.01 0.00 0.00 54.13 55.59 1ujr s LEU 70 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.48 1ujr s LEU 70 CO -0.20 -1.02 -0.16 -0.31 1.01 0.00 0.00 176.35 175.67 1ujr s TYR 71 N 4.19 2.52 -0.19 0.29 2.02 0.92 0.26 117.35 127.37 1ujr s TYR 71 Ca 0.55 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.97 1ujr s TYR 71 Cb -0.17 -1.27 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 1ujr s TYR 71 CO 0.21 0.46 -0.03 0.08 -1.57 0.00 0.00 175.55 174.71 1ujr s VAL 72 N -1.49 1.05 -0.39 0.71 1.01 0.12 0.31 120.40 121.71 1ujr s VAL 72 Ca 0.21 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1ujr s VAL 72 Cb -0.09 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1ujr s VAL 72 CO 0.12 -0.00 0.32 0.00 0.00 0.00 0.00 175.10 175.53 1ujr s ALA 73 N 1.64 3.48 -0.29 5.51 0.00 0.11 0.19 121.76 132.41 1ujr s ALA 73 Ca -0.01 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1ujr s ALA 73 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1ujr s ALA 73 CO -0.07 -1.36 0.23 0.34 0.00 0.00 0.00 175.76 174.90 1ujr s ASP 74 N 1.71 6.07 0.07 0.00 -1.08 0.13 0.05 116.67 123.61 1ujr s ASP 74 Ca 0.07 -0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.16 1ujr s ASP 74 Cb -0.18 -2.14 -0.23 0.00 -1.46 0.00 0.00 42.92 38.91 1ujr s ASP 74 CO 0.11 -0.10 1.08 -0.07 0.52 0.00 0.00 175.17 176.71 1ujr h LEU 75 N 8.43 0.06 -0.68 -1.34 3.38 -0.51 0.43 115.31 125.08 1ujr h LEU 75 Ca -0.34 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 57.70 1ujr h LEU 75 Cb 1.18 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 1ujr h LEU 75 CO 0.58 1.07 0.07 -0.33 0.09 0.00 0.00 178.44 179.91 1ujr h GLU 76 N 0.01 0.16 -0.00 1.13 5.08 -1.84 -0.03 114.58 119.09 1ujr h GLU 76 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ujr h GLU 76 Cb 1.87 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1ujr h GLU 76 CO 0.13 0.11 -0.87 0.09 -1.00 0.00 0.00 179.01 177.46 1ujr n ASN 77 N -5.25 1.13 -2.79 1.42 4.13 -1.25 -4.99 115.26 107.67 1ujr n ASN 77 Ca 0.12 -1.07 -0.14 0.00 1.68 0.00 0.00 54.58 55.17 1ujr n ASN 77 Cb 0.41 0.91 0.06 0.00 -1.54 0.00 0.00 39.78 39.63 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1ujr n MET 78 N -1.23 -5.18 -3.73 3.52 2.81 -0.03 -4.90 117.12 108.38 1ujr n MET 78 Ca 0.05 0.62 -0.14 0.00 -1.81 0.00 0.00 57.70 56.42 1ujr n MET 78 Cb 0.34 -4.98 -0.08 0.00 -0.71 0.00 0.00 33.22 27.78 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 -3.26 0.05 -0.09 2.03 -7.23 0.14 0.22 120.40 112.26 1ujr s VAL 79 Ca 0.13 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.94 1ujr s VAL 79 Cb -0.06 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1ujr s VAL 79 CO 0.54 -0.22 -0.20 0.00 -0.31 0.00 0.00 175.10 174.91 1ujr s GLN 80 N -1.25 2.91 0.12 4.82 -2.07 0.10 0.19 119.66 124.49 1ujr s GLN 80 Ca -0.13 -0.82 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1ujr s GLN 80 Cb -0.04 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.49 1ujr s GLN 80 CO 0.05 0.30 -0.13 1.52 -1.32 0.00 0.00 175.29 175.71 1ujr s TYR 81 N 0.06 1.34 0.14 9.60 -0.85 0.13 0.18 117.35 127.95 1ujr s TYR 81 Ca -0.09 -0.60 -0.31 0.00 -0.52 0.00 0.00 57.07 55.55 1ujr s TYR 81 Cb -0.15 -0.70 -0.10 0.00 0.38 0.00 0.00 41.96 41.39 1ujr s TYR 81 CO 0.05 0.12 1.69 0.50 -1.52 0.00 0.00 175.55 176.40 1ujr s ARG 82 N -2.88 4.17 0.03 -3.49 3.00 0.11 0.10 118.95 119.99 1ujr s ARG 82 Ca 0.10 2.47 -0.07 0.00 -1.00 0.00 0.00 55.73 57.23 1ujr s ARG 82 Cb -0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 34.95 31.53 1ujr s ARG 82 CO 0.02 -0.73 1.12 -0.09 0.00 0.00 0.00 175.30 175.62 1ujr h ARG 83 N 7.67 -0.08 0.81 5.12 2.43 -0.45 -1.64 114.38 128.24 1ujr h ARG 83 Ca -0.44 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 1ujr h ARG 83 Cb 1.21 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1ujr h ARG 83 CO 0.94 -0.05 -0.39 -0.97 -1.51 0.00 0.00 179.97 177.99 1ujr h ASN 84 N -0.08 -0.92 -2.11 -3.80 -0.73 -1.92 -3.34 115.58 102.68 1ujr h ASN 84 Ca 0.02 0.03 -0.70 0.00 1.87 0.00 0.00 56.30 57.51 1ujr h ASN 84 Cb 0.13 0.24 -0.16 0.00 0.27 0.00 0.00 38.32 38.79 1ujr h ASN 84 CO -0.14 -0.56 1.20 -0.70 -0.37 0.00 0.00 177.43 176.86 1ujr s GLU 85 N -5.14 3.84 0.61 6.67 2.56 -1.15 -4.80 118.70 121.29 1ujr s GLU 85 Ca -0.16 -2.09 0.33 0.00 0.00 0.00 0.00 54.97 53.04 1ujr s GLU 85 Cb 0.02 -5.05 1.93 0.00 2.00 0.00 0.00 34.13 33.02 1ujr s GLU 85 CO 0.49 -1.83 2.26 1.12 -0.56 0.00 0.00 175.26 176.73 1ujr h HIS 86 N 8.08 0.00 -0.02 5.30 2.07 -1.43 -2.79 115.15 126.36 1ujr h HIS 86 Ca 0.25 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.79 1ujr h HIS 86 Cb 0.95 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.89 1ujr h HIS 86 CO 1.16 0.00 -0.39 0.78 -3.07 0.00 0.00 177.93 176.41 1ujr h GLY 87 N 0.00 -1.21 -6.59 6.13 0.00 -1.87 -3.39 103.07 96.15 1ujr h GLY 87 Ca 0.01 0.65 -0.58 0.00 0.00 0.00 0.00 47.33 47.42 1ujr h GLY 87 CO -0.00 -0.31 1.41 0.50 0.00 0.00 0.00 176.54 178.13 1ujr s ARG 88 N -4.98 3.38 0.02 4.80 0.52 -1.07 -4.90 118.95 116.71 1ujr s ARG 88 Ca -0.11 2.08 -0.11 0.00 -0.52 0.00 0.00 55.73 57.06 1ujr s ARG 88 Cb 0.05 -4.30 0.01 0.00 0.52 0.00 0.00 34.95 31.23 1ujr s ARG 88 CO 0.44 -1.82 0.23 -0.98 0.02 0.00 0.00 175.30 173.20 1ujr s ARG 89 N 5.84 0.68 0.01 3.54 1.70 -1.26 0.06 118.95 129.52 1ujr s ARG 89 Ca 0.95 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 55.70 1ujr s ARG 89 Cb -0.34 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 1ujr s ARG 89 CO 0.36 -0.19 0.08 1.03 -1.08 0.00 0.00 175.30 175.50 1ujr s ARG 90 N -2.09 0.43 0.66 3.89 0.52 0.13 -4.96 118.95 117.54 1ujr s ARG 90 Ca -0.09 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 1ujr s ARG 90 Cb -0.03 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1ujr s ARG 90 CO -0.01 -0.10 1.12 0.15 0.02 0.00 0.00 175.30 176.48 1ujr s LYS 91 N -1.48 2.77 0.04 3.54 1.02 -1.26 0.01 119.74 124.38 1ujr s LYS 91 Ca -0.15 1.42 -0.01 0.00 0.02 0.00 0.00 55.97 57.25 1ujr s LYS 91 Cb -0.08 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1ujr s LYS 91 CO 0.00 -1.28 -0.01 0.96 -0.92 0.00 0.00 175.35 174.10 1ujr s ILE 92 N -2.31 0.17 0.12 2.17 -4.36 0.13 0.09 121.20 117.21 1ujr s ILE 92 Ca 0.67 -1.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.54 1ujr s ILE 92 Cb -0.21 -0.98 0.03 0.00 1.25 0.00 0.00 42.46 42.55 1ujr s ILE 92 CO 0.41 -0.76 0.35 -1.59 0.24 0.00 0.00 174.94 173.60 1ujr s LYS 93 N -2.86 1.01 -0.07 0.37 -2.85 0.14 -4.63 119.74 110.86 1ujr s LYS 93 Ca -0.03 -0.75 0.05 0.00 -1.00 0.00 0.00 55.97 54.24 1ujr s LYS 93 Cb 0.00 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1ujr s LYS 93 CO -0.06 -0.38 -0.24 0.50 0.10 0.00 0.00 175.35 175.27 1ujr s ARG 94 N -3.78 2.70 0.17 1.78 3.52 -1.26 0.13 118.95 122.21 1ujr s ARG 94 Ca 0.03 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 1ujr s ARG 94 Cb 0.02 -2.22 -0.00 0.00 -1.56 0.00 0.00 34.95 31.19 1ujr s ARG 94 CO -0.12 0.34 0.32 0.34 -0.81 0.00 0.00 175.30 175.37 1ujr s ASP 95 N -0.05 -0.01 -0.11 -2.12 2.15 0.92 -4.98 116.67 112.48 1ujr s ASP 95 Ca -0.07 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.07 1ujr s ASP 95 Cb -0.15 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1ujr s ASP 95 CO 0.05 -0.92 0.00 -0.63 -0.17 0.00 0.00 175.17 173.50 1ujr s ILE 96 N -3.95 4.31 0.00 4.11 1.01 -1.26 0.53 121.20 125.95 1ujr s ILE 96 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1ujr s ILE 96 Cb 0.03 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1ujr s ILE 96 CO -0.00 0.57 0.00 -0.38 0.00 0.00 0.00 174.94 175.13 1ujr n ILE 97 N 2.51 0.00 0.00 2.92 2.08 0.11 -4.90 119.36 122.09 1ujr n ILE 97 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 1ujr n ILE 97 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 1ujr n ILE 97 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1ujr n ASP 98 N 0.00 0.00 -0.88 4.38 5.68 -1.26 0.12 116.55 124.59 1ujr n ASP 98 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ujr n ASP 98 Cb 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1ujr n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1ujr n ILE 99 N -2.10 -3.36 -2.37 2.12 5.41 -1.26 -4.82 119.36 112.98 1ujr n ILE 99 Ca 0.00 1.31 -0.33 0.00 1.00 0.00 0.00 62.75 64.73 1ujr n ILE 99 Cb 0.00 -1.88 -0.02 0.00 -0.71 0.00 0.00 39.64 37.03 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 -4.47 3.65 0.04 0.38 0.04 -1.26 -4.92 135.00 128.46 1ujr s PRO 100 Ca 0.00 1.28 0.22 0.00 0.04 0.00 0.00 61.00 62.55 1ujr s PRO 100 Cb 0.00 -2.08 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1ujr s PRO 100 CO 0.00 -0.55 0.67 0.36 0.04 0.00 0.00 177.00 177.53 1ujr n LYS 101 N -1.35 0.60 0.18 4.56 -0.00 -1.26 -4.36 118.16 116.53 1ujr n LYS 101 Ca 0.09 -0.10 -0.12 0.00 -0.00 0.00 0.00 58.31 58.18 1ujr n LYS 101 Cb 0.53 -1.60 -0.07 0.00 -0.00 0.00 0.00 35.03 33.88 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ujr h LYS 102 N 0.00 -0.49 -0.88 -1.58 1.63 -1.97 -1.32 116.57 111.97 1ujr h LYS 102 Ca 0.00 0.03 0.24 0.00 -0.85 0.00 0.00 60.65 60.07 1ujr h LYS 102 Cb 0.97 0.11 -0.16 0.00 -0.60 0.00 0.00 32.23 32.54 1ujr h LYS 102 CO 0.00 -0.17 -0.00 0.41 -3.45 0.00 0.00 179.45 176.24 1ujr n GLY 103 N -0.13 -1.22 2.92 5.01 0.00 -1.26 -3.76 105.19 106.76 1ujr n GLY 103 Ca -0.09 0.87 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 1ujr n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujr s VAL 104 N -5.87 -0.64 0.35 1.61 1.01 -1.20 -4.89 120.40 110.78 1ujr s VAL 104 Ca -0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1ujr s VAL 104 Cb 0.26 -0.90 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 1ujr s VAL 104 CO 0.69 -0.29 0.73 -0.55 0.00 0.00 0.00 175.10 175.68 1ujr s SER 105 N 2.39 6.64 0.00 3.32 0.15 -0.50 -4.28 113.70 121.41 1ujr s SER 105 Ca 0.11 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1ujr s SER 105 Cb -0.12 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1ujr s SER 105 CO -0.26 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1ujr n GLY 106 N -0.80 4.63 3.79 9.45 0.00 -1.26 -5.07 105.19 115.92 1ujr n GLY 106 Ca 0.03 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 4.72 1.11 0.01 1.61 0.04 -1.26 -5.09 135.00 136.15 1ujr s PRO 107 Ca 0.00 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.34 1ujr s PRO 107 Cb 0.00 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1ujr s PRO 107 CO 0.00 -2.21 -0.09 -1.54 0.04 0.00 0.00 177.00 173.20 1ujr s SER 108 N -4.04 1.05 -0.18 6.66 1.04 -1.26 -4.85 113.70 112.11 1ujr s SER 108 Ca 0.64 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 1ujr s SER 108 Cb -0.15 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 1ujr s SER 108 CO 0.53 0.03 -0.11 -0.55 0.98 0.00 0.00 173.24 174.12 1ujr s SER 109 N -0.61 3.89 0.00 7.02 0.15 -1.26 -5.18 113.70 117.72 1ujr s SER 109 Ca 0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1ujr s SER 109 Cb -0.05 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1ujr s SER 109 CO 0.00 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.10