#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 2.30 0.17 3.54 1.04 -1.26 -5.16 113.70 114.33 1ujr s SER 2 Ca 0.00 -1.24 -0.24 0.00 0.48 0.00 0.00 55.95 54.95 1ujr s SER 2 Cb 0.00 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.10 1ujr s SER 2 CO 0.00 -0.46 0.95 -0.94 0.98 0.00 0.00 173.24 173.76 1ujr s SER 3 N -3.39 -0.17 0.00 7.02 1.04 -1.26 -5.17 113.70 111.77 1ujr s SER 3 Ca 0.30 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ujr s SER 3 Cb 0.05 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ujr s SER 3 CO 0.11 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1ujr n GLY 4 N -0.48 3.80 1.58 7.32 0.00 -1.26 -5.10 105.19 111.05 1ujr n GLY 4 Ca -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.33 0.00 1.61 7.64 -1.26 -5.09 113.62 116.85 1ujr n SER 5 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1ujr n SER 5 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1ujr n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujr n SER 6 N -3.39 0.00 0.00 6.43 2.88 -1.26 -5.17 113.62 113.11 1ujr n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ujr n SER 6 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujr n GLY 7 N 0.00 0.45 3.38 0.46 0.00 -1.26 -5.10 105.19 103.11 1ujr n GLY 7 Ca 0.00 -2.29 -0.20 0.00 0.00 0.00 0.00 46.02 43.53 1ujr n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 8 N -0.06 1.67 0.05 1.61 0.08 -1.26 -5.10 117.98 114.97 1ujr s PHE 8 Ca 0.00 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.79 1ujr s PHE 8 Cb 0.00 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.47 1ujr s PHE 8 CO 0.00 -0.38 0.00 1.28 -0.10 0.00 0.00 175.22 176.02 1ujr n LEU 9 N -0.64 0.30 -1.52 -0.37 4.32 -1.26 -5.15 117.00 112.69 1ujr n LEU 9 Ca -0.01 0.07 0.09 0.00 -0.02 0.00 0.00 56.01 56.15 1ujr n LEU 9 Cb 0.65 -0.07 -0.05 0.00 -1.62 0.00 0.00 43.42 42.33 1ujr n LEU 9 CO 0.36 -0.59 -0.58 -0.67 -1.22 0.00 0.00 177.39 174.69 1ujr n ASP 10 N -2.85 -8.22 -3.67 -1.43 2.03 -1.26 -5.03 116.55 96.12 1ujr n ASP 10 Ca 0.00 1.68 -0.14 0.00 0.52 0.00 0.00 54.79 56.86 1ujr n ASP 10 Cb 0.00 -5.08 -0.08 0.00 -0.72 0.00 0.00 41.12 35.23 1ujr n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ujr s LYS 11 N -4.87 0.70 1.10 -0.67 1.02 -1.26 -5.17 119.74 110.59 1ujr s LYS 11 Ca 0.00 0.76 -0.18 0.00 0.02 0.00 0.00 55.97 56.56 1ujr s LYS 11 Cb 0.00 0.34 0.25 0.00 -0.52 0.00 0.00 37.83 37.90 1ujr s LYS 11 CO 0.00 -0.10 1.23 -1.25 -0.92 0.00 0.00 175.35 174.31 1ujr s PRO 12 N 0.19 -0.44 0.11 -1.68 0.04 -1.26 -5.05 135.00 126.91 1ujr s PRO 12 Ca -0.01 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 60.67 1ujr s PRO 12 Cb -0.04 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1ujr s PRO 12 CO 0.01 -3.15 0.36 0.99 0.04 0.00 0.00 177.00 175.25 1ujr s THR 13 N -3.47 5.18 0.00 1.26 2.01 -1.26 -4.97 115.64 114.39 1ujr s THR 13 Ca 0.73 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1ujr s THR 13 Cb -0.06 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.87 1ujr s THR 13 CO 0.55 0.14 0.78 -0.11 -0.69 0.00 0.00 174.62 175.29 1ujr n LEU 14 N 0.42 -0.23 -1.38 4.42 7.94 -1.26 -5.15 117.00 121.76 1ujr n LEU 14 Ca -0.05 -1.40 0.18 0.00 -1.11 0.00 0.00 56.01 53.63 1ujr n LEU 14 Cb 0.52 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.41 1ujr n LEU 14 CO 0.46 1.02 -0.41 0.18 -1.11 0.00 0.00 177.39 177.53 1ujr n LEU 15 N 0.04 -0.81 -4.72 -1.96 4.32 -1.26 -4.81 117.00 107.80 1ujr n LEU 15 Ca -0.08 1.84 -0.32 0.00 -0.02 0.00 0.00 56.01 57.43 1ujr n LEU 15 Cb 0.65 -4.42 0.12 0.00 -1.62 0.00 0.00 43.42 38.15 1ujr n LEU 15 CO -0.05 -3.04 0.72 -0.94 -1.22 0.00 0.00 177.39 172.86 1ujr s SER 16 N -7.10 3.83 0.00 -1.43 1.04 -1.26 -4.90 113.70 103.88 1ujr s SER 16 Ca 0.00 2.12 0.22 0.00 0.48 0.00 0.00 55.95 58.77 1ujr s SER 16 Cb 0.00 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.56 1ujr s SER 16 CO 0.00 -2.50 1.71 -0.81 0.98 0.00 0.00 173.24 172.62 1ujr n PRO 17 N -3.53 0.10 -0.05 4.02 -0.04 -1.26 -3.09 135.00 131.14 1ujr n PRO 17 Ca 0.11 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1ujr n PRO 17 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 1ujr n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ujr n GLU 18 N -1.43 0.69 -0.11 0.54 4.07 -1.26 -2.78 120.64 120.36 1ujr n GLU 18 Ca 0.07 0.32 0.15 0.00 -0.06 0.00 0.00 57.16 57.64 1ujr n GLU 18 Cb 0.23 -1.67 0.53 0.00 -0.06 0.00 0.00 31.44 30.47 1ujr n GLU 18 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1ujr h GLU 19 N -0.27 0.34 0.00 5.31 4.81 -1.92 -1.26 114.58 121.59 1ujr h GLU 19 Ca -0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1ujr h GLU 19 Cb 1.81 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.11 1ujr h GLU 19 CO -0.05 0.23 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.26 1ujr h LEU 20 N 0.35 0.00 -1.80 1.64 3.38 -1.71 -3.26 115.31 113.91 1ujr h LEU 20 Ca 0.31 -0.81 0.40 0.00 0.09 0.00 0.00 57.88 57.87 1ujr h LEU 20 Cb 0.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1ujr h LEU 20 CO -0.08 0.98 1.10 0.50 0.09 0.00 0.00 178.44 181.03 1ujr h LYS 21 N -1.00 0.00 -0.45 1.13 3.11 -1.21 0.33 116.57 118.48 1ujr h LYS 21 Ca -0.03 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.85 1ujr h LYS 21 Cb 0.90 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.06 1ujr h LYS 21 CO -0.02 0.00 -0.41 0.00 -2.81 0.00 0.00 179.45 176.21 1ujr h ALA 22 N 1.09 -0.56 0.03 5.00 0.00 -1.30 0.11 119.26 123.63 1ujr h ALA 22 Ca 0.65 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.30 1ujr h ALA 22 Cb 2.84 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 21.70 1ujr h ALA 22 CO -0.01 -0.79 -1.61 0.00 0.00 0.00 0.00 179.25 176.85 1ujr n ALA 23 N -3.05 0.87 -0.68 0.00 0.00 0.10 -4.06 120.51 113.69 1ujr n ALA 23 Ca -0.01 -0.60 0.51 0.00 0.00 0.00 0.00 53.44 53.34 1ujr n ALA 23 Cb 0.23 -0.49 0.79 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.18 0.01 -0.03 0.00 2.88 0.95 0.67 113.62 113.92 1ujr n SER 24 Ca -0.35 0.98 -0.05 0.00 -1.33 0.00 0.00 58.87 58.11 1ujr n SER 24 Cb 0.79 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.00 -0.16 0.04 -1.46 3.08 -0.92 1.17 114.38 116.13 1ujr h ARG 25 Ca 0.91 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 60.65 1ujr h ARG 25 Cb 3.64 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 33.68 1ujr h ARG 25 CO -0.03 -0.10 -1.87 0.41 -1.07 0.00 0.00 179.97 177.31 1ujr n GLY 26 N -1.14 -0.84 0.00 0.04 0.00 0.30 -3.78 105.19 99.77 1ujr n GLY 26 Ca -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1ujr n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujr n ASN 27 N -3.16 0.00 0.00 1.61 3.02 0.21 -4.12 115.26 112.82 1ujr n ASN 27 Ca -0.24 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1ujr n ASN 27 Cb 1.06 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1ujr n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujr n GLY 28 N 0.30 0.93 0.00 7.41 0.00 0.40 -4.70 105.19 109.54 1ujr n GLY 28 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 -4.46 1.61 -0.58 0.13 -4.45 120.64 112.89 1ujr n GLU 29 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1ujr n GLU 29 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 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 -5.08 2.01 0.03 -0.32 -0.85 -1.26 0.24 117.35 112.12 1ujr s TYR 30 Ca 0.00 -0.86 -0.28 0.00 -0.52 0.00 0.00 57.07 55.42 1ujr s TYR 30 Cb 0.00 -1.29 0.08 0.00 0.38 0.00 0.00 41.96 41.13 1ujr s TYR 30 CO 0.00 0.13 0.71 0.00 -1.52 0.00 0.00 175.55 174.87 1ujr s ALA 31 N -3.16 -1.73 -0.05 9.51 0.00 0.13 -4.57 121.76 121.90 1ujr s ALA 31 Ca 0.34 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 1ujr s ALA 31 Cb 0.08 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1ujr s ALA 31 CO 0.15 -0.56 0.17 -1.58 0.00 0.00 0.00 175.76 173.94 1ujr s TRP 32 N -2.41 3.56 -0.10 0.00 0.52 -1.26 0.13 118.94 119.38 1ujr s TRP 32 Ca -0.03 0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.52 1ujr s TRP 32 Cb -0.01 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1ujr s TRP 32 CO -0.02 0.68 -0.17 0.71 0.02 0.00 0.00 176.95 178.16 1ujr s TYR 33 N -1.23 2.07 -0.11 -1.98 1.51 0.15 -2.89 117.35 114.88 1ujr s TYR 33 Ca 0.23 -0.93 -0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1ujr s TYR 33 Cb -0.12 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1ujr s TYR 33 CO 0.14 -0.45 -0.02 1.52 -1.11 0.00 0.00 175.55 175.64 1ujr s TYR 34 N 0.78 3.10 0.39 2.71 1.13 0.13 0.21 117.35 125.80 1ujr s TYR 34 Ca -0.10 0.04 -0.24 0.00 -1.41 0.00 0.00 57.07 55.36 1ujr s TYR 34 Cb -0.16 -1.84 -0.12 0.00 -1.10 0.00 0.00 41.96 38.74 1ujr s TYR 34 CO 0.01 0.30 0.74 -1.91 -2.51 0.00 0.00 175.55 172.19 1ujr n GLU 35 N 2.58 0.86 0.00 -3.49 2.13 0.91 0.21 120.64 123.84 1ujr n GLU 35 Ca -0.18 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1ujr n GLU 35 Cb 0.53 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.55 5.30 0.01 8.31 0.00 0.11 -4.68 105.19 115.78 1ujr n GLY 36 Ca 0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ujr n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujr h ARG 37 N 0.00 0.00 -0.17 1.61 2.47 -1.93 -3.39 114.38 112.97 1ujr h ARG 37 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1ujr h ARG 37 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1ujr h ARG 37 CO 0.00 0.00 -0.09 -0.91 0.56 0.00 0.00 179.97 179.53 1ujr h ASN 38 N -0.16 -0.30 0.00 7.04 2.35 -2.00 -3.47 115.58 119.04 1ujr h ASN 38 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1ujr h ASN 38 Cb 0.01 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ujr h ASN 38 CO 0.00 -0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.27 1ujr n GLY 39 N -1.24 -2.28 3.21 2.83 0.00 -1.26 -5.15 105.19 101.30 1ujr n GLY 39 Ca -0.02 0.73 -0.18 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.02 1.33 0.03 1.61 0.52 -1.26 0.08 118.94 121.22 1ujr s TRP 40 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 56.10 55.65 1ujr s TRP 40 Cb 0.00 -0.72 -0.02 0.00 -1.15 0.00 0.00 33.47 31.58 1ujr s TRP 40 CO 0.00 0.10 -0.13 -1.58 0.02 0.00 0.00 176.95 175.36 1ujr s TRP 41 N -1.73 1.15 0.01 -1.98 0.52 0.13 -4.77 118.94 112.26 1ujr s TRP 41 Ca 0.04 -0.33 -0.20 0.00 0.02 0.00 0.00 56.10 55.63 1ujr s TRP 41 Cb -0.07 -0.69 -0.06 0.00 -1.15 0.00 0.00 33.47 31.50 1ujr s TRP 41 CO 0.03 0.02 0.59 -1.14 0.02 0.00 0.00 176.95 176.46 1ujr s GLN 42 N -1.00 4.29 0.12 4.98 0.74 -1.26 0.19 119.66 127.73 1ujr s GLN 42 Ca 0.01 0.73 -0.02 0.00 0.05 0.00 0.00 55.36 56.13 1ujr s GLN 42 Cb -0.07 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.75 1ujr s GLN 42 CO 0.01 0.42 0.08 0.66 -0.55 0.00 0.00 175.29 175.91 1ujr n TYR 43 N 2.54 -2.39 0.01 1.67 4.01 -1.14 -4.97 117.16 116.90 1ujr n TYR 43 Ca -0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 57.90 57.58 1ujr n TYR 43 Cb 0.51 -0.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1ujr n TYR 43 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1ujr h ASP 44 N -1.90 -0.04 0.00 7.72 1.82 -1.97 -3.49 116.42 118.56 1ujr h ASP 44 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1ujr h ASP 44 Cb 0.11 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1ujr h ASP 44 CO 0.02 0.04 0.00 1.21 -1.61 0.00 0.00 179.24 178.90 1ujr n GLU 45 N -2.53 0.00 -0.07 0.28 2.13 -1.26 -4.99 120.64 114.20 1ujr n GLU 45 Ca -0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1ujr n GLU 45 Cb 0.02 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.61 1ujr n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ujr h ARG 46 N 0.00 0.00 -1.44 5.31 3.08 -1.98 -2.65 114.38 116.70 1ujr h ARG 46 Ca 0.00 0.00 0.43 0.00 0.07 0.00 0.00 59.98 60.48 1ujr h ARG 46 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1ujr h ARG 46 CO 0.00 0.95 1.01 1.15 -1.07 0.00 0.00 179.97 182.01 1ujr h THR 47 N -1.00 0.24 0.18 2.04 2.02 -1.98 1.11 112.91 115.52 1ujr h THR 47 Ca -0.01 -0.02 -0.33 0.00 0.77 0.00 0.00 66.41 66.81 1ujr h THR 47 Cb 0.96 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1ujr h THR 47 CO -0.01 0.01 -1.63 0.77 0.37 0.00 0.00 175.52 175.03 1ujr h SER 48 N 0.06 0.59 -0.30 4.18 4.64 -1.96 -3.27 113.55 117.49 1ujr h SER 48 Ca 0.74 -0.80 0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1ujr h SER 48 Cb 2.72 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 64.60 1ujr h SER 48 CO -0.12 1.67 0.59 0.03 -0.87 0.00 0.00 176.83 178.12 1ujr h ARG 49 N 0.10 0.00 0.15 4.77 3.08 0.16 0.74 114.38 123.39 1ujr h ARG 49 Ca -0.30 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.41 1ujr h ARG 49 Cb 2.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 1ujr h ARG 49 CO 0.19 0.00 -1.79 0.93 -1.07 0.00 0.00 179.97 178.24 1ujr h GLU 50 N 0.00 0.31 -0.08 0.04 4.39 -1.49 -1.92 114.58 115.83 1ujr h GLU 50 Ca 0.14 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 1ujr h GLU 50 Cb 1.32 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 1ujr h GLU 50 CO -0.00 1.21 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.93 1ujr h LEU 51 N 0.09 0.11 0.00 1.33 3.38 0.37 0.21 115.31 120.79 1ujr h LEU 51 Ca -0.35 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1ujr h LEU 51 Cb 2.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1ujr h LEU 51 CO 0.15 0.19 -0.58 -0.08 0.09 0.00 0.00 178.44 178.20 1ujr h GLU 52 N 0.12 0.01 -0.42 1.13 4.22 -1.16 -2.50 114.58 115.98 1ujr h GLU 52 Ca 0.03 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.53 1ujr h GLU 52 Cb 0.19 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1ujr h GLU 52 CO 0.01 1.01 0.00 -0.44 -2.18 0.00 0.00 179.01 177.41 1ujr h ASP 53 N -0.98 -0.17 0.87 1.04 5.19 -1.15 1.01 116.42 122.24 1ujr h ASP 53 Ca -0.16 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 1ujr h ASP 53 Cb 1.16 0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.85 1ujr h ASP 53 CO -0.09 -0.05 -0.42 0.00 -3.12 0.00 0.00 179.24 175.56 1ujr h ALA 54 N 1.37 -1.17 -0.53 3.45 0.00 -0.73 0.69 119.26 122.33 1ujr h ALA 54 Ca 0.21 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ujr h ALA 54 Cb 0.29 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1ujr h ALA 54 CO -0.34 -1.10 -0.19 0.35 0.00 0.00 0.00 179.25 177.96 1ujr h PHE 55 N -1.29 -0.46 0.82 0.00 3.57 -1.05 0.68 116.94 119.20 1ujr h PHE 55 Ca -0.12 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1ujr h PHE 55 Cb 0.90 0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1ujr h PHE 55 CO -0.00 -0.28 -0.39 1.03 -2.23 0.00 0.00 178.31 176.43 1ujr h SER 56 N -0.07 -0.93 -1.04 0.41 0.87 0.11 -2.70 113.55 110.20 1ujr h SER 56 Ca 0.25 0.03 0.40 0.00 -1.23 0.00 0.00 61.79 61.24 1ujr h SER 56 Cb 0.45 0.24 -0.17 0.00 -0.44 0.00 0.00 62.40 62.49 1ujr h SER 56 CO -0.58 -0.61 0.59 0.11 -0.53 0.00 0.00 176.83 175.81 1ujr h LYS 57 N -1.21 0.08 0.00 2.24 1.57 0.87 -3.43 116.57 116.68 1ujr h LYS 57 Ca -0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1ujr h LYS 57 Cb 0.85 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ujr h LYS 57 CO 0.19 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1ujr n GLY 58 N -1.30 0.85 3.73 3.86 0.00 0.71 -5.07 105.19 107.98 1ujr n GLY 58 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 2.35 -0.11 1.61 5.02 0.20 -4.91 118.16 122.33 1ujr n LYS 59 Ca 0.00 0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 56.87 1ujr n LYS 59 Cb 0.00 -2.48 -0.11 0.00 -0.02 0.00 0.00 35.03 32.42 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 0.47 0.61 -4.43 1.97 4.01 -1.26 -3.71 118.16 115.82 1ujr n LYS 60 Ca 0.03 0.34 -0.31 0.00 -0.51 0.00 0.00 58.31 57.86 1ujr n LYS 60 Cb 0.37 -1.60 -0.16 0.00 -0.51 0.00 0.00 35.03 33.13 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 -7.10 2.85 -0.10 4.39 2.20 -1.26 0.20 114.94 116.13 1ujr s ASN 61 Ca -0.33 -0.54 0.03 0.00 -0.94 0.00 0.00 52.86 51.08 1ujr s ASN 61 Cb 0.10 -1.31 -0.01 0.00 -2.00 0.00 0.00 41.25 38.04 1ujr s ASN 61 CO 0.57 0.03 -0.20 0.28 -2.94 0.00 0.00 177.10 174.84 1ujr s THR 62 N 1.04 2.49 -0.15 0.54 -1.32 0.14 -4.99 115.64 113.39 1ujr s THR 62 Ca -0.03 -0.88 -0.13 0.00 -1.21 0.00 0.00 61.69 59.43 1ujr s THR 62 Cb -0.15 -1.98 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 1ujr s THR 62 CO -0.05 0.55 0.29 -1.61 -2.21 0.00 0.00 174.62 171.59 1ujr s GLU 63 N 0.13 4.21 0.07 7.08 8.01 -1.26 0.24 118.70 137.18 1ujr s GLU 63 Ca -0.10 0.09 0.08 0.00 0.01 0.00 0.00 54.97 55.05 1ujr s GLU 63 Cb -0.16 -3.41 -0.03 0.00 -4.31 0.00 0.00 34.13 26.22 1ujr s GLU 63 CO 0.06 0.28 -0.22 0.00 0.01 0.00 0.00 175.26 175.38 1ujr s MET 64 N 0.35 1.39 -0.31 1.61 0.23 0.15 -4.94 119.30 117.79 1ujr s MET 64 Ca 0.16 -1.07 0.01 0.00 -1.03 0.00 0.00 55.69 53.76 1ujr s MET 64 Cb -0.13 -1.60 0.07 0.00 -1.53 0.00 0.00 34.83 31.64 1ujr s MET 64 CO 0.04 0.40 0.00 -1.17 -2.03 0.00 0.00 175.02 172.26 1ujr s LEU 65 N -1.47 4.13 0.80 0.18 2.96 -1.26 0.27 118.68 124.29 1ujr s LEU 65 Ca 0.09 -1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 52.32 1ujr s LEU 65 Cb -0.09 -1.66 0.15 0.00 0.50 0.00 0.00 46.19 45.09 1ujr s LEU 65 CO 0.03 -0.30 1.10 -0.63 -1.32 0.00 0.00 176.35 175.23 1ujr s ILE 66 N 1.11 2.09 -0.96 6.68 1.01 0.13 -4.84 121.20 126.43 1ujr s ILE 66 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 1ujr s ILE 66 Cb -0.20 -2.71 -0.29 0.00 0.01 0.00 0.00 42.46 39.27 1ujr s ILE 66 CO -0.04 0.00 2.29 0.00 0.00 0.00 0.00 174.94 177.19 1ujr n ALA 67 N -3.14 0.89 -3.86 9.38 0.00 -1.26 0.32 120.51 122.82 1ujr n ALA 67 Ca 0.15 -0.78 -0.26 0.00 0.00 0.00 0.00 53.44 52.55 1ujr n ALA 67 Cb 0.60 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 5.84 -0.33 2.85 0.00 0.00 -1.26 -4.96 105.19 107.33 1ujr n GLY 68 Ca 0.65 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.69 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 -3.64 -0.67 -0.48 1.61 0.08 0.15 -5.11 117.98 109.93 1ujr s PHE 69 Ca 0.21 0.45 -0.28 0.00 0.12 0.00 0.00 56.93 57.43 1ujr s PHE 69 Cb -0.11 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.18 1ujr s PHE 69 CO 0.85 -0.77 1.38 -0.51 -0.10 0.00 0.00 175.22 176.07 1ujr s LEU 70 N 2.46 3.51 0.18 -0.37 2.01 -1.26 0.22 118.68 125.44 1ujr s LEU 70 Ca 0.10 0.55 0.11 0.00 0.01 0.00 0.00 54.13 54.90 1ujr s LEU 70 Cb -0.15 -3.34 -0.04 0.00 0.01 0.00 0.00 46.19 42.67 1ujr s LEU 70 CO -0.20 -1.53 -0.22 -0.31 1.01 0.00 0.00 176.35 175.10 1ujr s TYR 71 N 5.58 2.37 -0.10 0.29 2.02 0.14 0.22 117.35 127.87 1ujr s TYR 71 Ca 0.56 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1ujr s TYR 71 Cb -0.11 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 1ujr s TYR 71 CO 0.29 0.47 -0.04 0.08 -1.57 0.00 0.00 175.55 174.78 1ujr s VAL 72 N -1.54 0.76 -0.22 0.71 1.01 0.12 0.34 120.40 121.58 1ujr s VAL 72 Ca 0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1ujr s VAL 72 Cb -0.09 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1ujr s VAL 72 CO 0.10 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.59 1ujr s ALA 73 N 1.81 3.43 -0.26 5.51 0.00 0.14 0.24 121.76 132.64 1ujr s ALA 73 Ca 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1ujr s ALA 73 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1ujr s ALA 73 CO -0.07 -0.08 0.01 0.34 0.00 0.00 0.00 175.76 175.96 1ujr s ASP 74 N 0.85 4.69 0.28 0.00 -1.08 0.16 0.26 116.67 121.83 1ujr s ASP 74 Ca 0.05 -0.60 0.15 0.00 -0.52 0.00 0.00 52.55 51.63 1ujr s ASP 74 Cb -0.13 -1.79 0.10 0.00 -1.46 0.00 0.00 42.92 39.63 1ujr s ASP 74 CO 0.03 -0.11 1.46 -0.07 0.52 0.00 0.00 175.17 177.00 1ujr h LEU 75 N 8.15 0.00 -0.45 -1.34 3.38 -0.46 0.36 115.31 124.95 1ujr h LEU 75 Ca -0.35 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1ujr h LEU 75 Cb 1.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1ujr h LEU 75 CO 0.59 0.50 -0.05 -0.33 0.09 0.00 0.00 178.44 179.25 1ujr h GLU 76 N 0.00 0.06 -0.01 1.13 4.39 -1.89 -1.55 114.58 116.71 1ujr h GLU 76 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ujr h GLU 76 Cb 1.36 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1ujr h GLU 76 CO 0.07 0.04 -0.46 0.09 -1.16 0.00 0.00 179.01 177.59 1ujr n ASN 77 N -5.27 1.90 -2.99 1.42 3.02 -1.24 -4.98 115.26 107.13 1ujr n ASN 77 Ca 0.04 -1.45 -0.15 0.00 -0.03 0.00 0.00 54.58 52.99 1ujr n ASN 77 Cb 0.24 0.49 0.07 0.00 -0.61 0.00 0.00 39.78 39.98 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 -0.09 -5.58 -2.96 3.52 2.81 -0.16 -4.89 117.12 109.76 1ujr n MET 78 Ca 0.08 0.69 -0.09 0.00 -1.81 0.00 0.00 57.70 56.58 1ujr n MET 78 Cb 0.43 -5.25 -0.03 0.00 -0.71 0.00 0.00 33.22 27.66 1ujr n MET 78 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1ujr n VAL 79 N -3.71 0.00 -3.68 2.03 0.24 0.11 0.06 118.33 113.39 1ujr n VAL 79 Ca -0.20 -1.07 -0.09 0.00 -2.04 0.00 0.00 64.34 60.94 1ujr n VAL 79 Cb 0.62 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 33.46 1ujr n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ujr s GLN 80 N -2.57 0.42 0.18 7.34 -2.07 0.17 0.40 119.66 123.54 1ujr s GLN 80 Ca 0.18 0.94 0.09 0.00 -1.82 0.00 0.00 55.36 54.75 1ujr s GLN 80 Cb 0.01 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1ujr s GLN 80 CO 0.12 -0.18 -0.19 1.52 -1.32 0.00 0.00 175.29 175.24 1ujr s TYR 81 N 1.83 1.95 0.15 9.60 -0.85 0.14 0.34 117.35 130.51 1ujr s TYR 81 Ca -0.07 -0.44 -0.31 0.00 -0.52 0.00 0.00 57.07 55.73 1ujr s TYR 81 Cb -0.09 -0.95 -0.09 0.00 0.38 0.00 0.00 41.96 41.21 1ujr s TYR 81 CO -0.14 0.40 1.41 0.50 -1.52 0.00 0.00 175.55 176.20 1ujr s ARG 82 N -2.90 4.31 0.15 -3.49 3.00 0.11 0.12 118.95 120.24 1ujr s ARG 82 Ca 0.18 2.15 -0.30 0.00 -1.00 0.00 0.00 55.73 56.76 1ujr s ARG 82 Cb -0.06 -3.21 -0.06 0.00 0.00 0.00 0.00 34.95 31.63 1ujr s ARG 82 CO 0.08 -0.43 1.55 -0.09 0.00 0.00 0.00 175.30 176.41 1ujr h ARG 83 N 6.33 -0.26 0.02 5.12 2.43 -0.50 -2.45 114.38 125.07 1ujr h ARG 83 Ca -0.43 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.70 1ujr h ARG 83 Cb 1.21 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1ujr h ARG 83 CO 0.85 -0.17 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.91 1ujr h ASN 84 N -0.27 0.06 -1.46 -3.80 4.21 -1.92 -3.39 115.58 109.02 1ujr h ASN 84 Ca 0.12 -0.92 -0.71 0.00 1.21 0.00 0.00 56.30 56.00 1ujr h ASN 84 Cb 0.55 -0.02 -0.13 0.00 -1.12 0.00 0.00 38.32 37.60 1ujr h ASN 84 CO -0.70 1.13 1.85 1.21 -1.29 0.00 0.00 177.43 179.64 1ujr n GLU 85 N -4.51 3.29 -0.03 0.81 0.00 -1.08 -4.76 120.64 114.35 1ujr n GLU 85 Ca -0.14 -3.53 0.10 0.00 0.00 0.00 0.00 57.16 53.59 1ujr n GLU 85 Cb 0.56 -3.23 0.50 0.00 0.00 0.00 0.00 31.44 29.27 1ujr n GLU 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ujr h HIS 86 N 7.14 0.40 0.35 4.31 3.86 -1.65 -2.20 115.15 127.36 1ujr h HIS 86 Ca 0.39 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1ujr h HIS 86 Cb 0.84 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1ujr h HIS 86 CO 1.26 0.21 -0.37 0.78 0.86 0.00 0.00 177.93 180.68 1ujr h GLY 87 N 0.40 -0.85 -6.52 2.45 0.00 -1.86 -3.40 103.07 93.30 1ujr h GLY 87 Ca 0.22 0.42 -0.57 0.00 0.00 0.00 0.00 47.33 47.40 1ujr h GLY 87 CO -0.06 -0.30 1.31 0.50 0.00 0.00 0.00 176.54 178.00 1ujr s ARG 88 N -5.99 3.48 0.12 4.80 1.81 -0.89 -4.92 118.95 117.36 1ujr s ARG 88 Ca -0.17 1.86 -0.24 0.00 -1.72 0.00 0.00 55.73 55.47 1ujr s ARG 88 Cb 0.06 -4.22 0.07 0.00 -0.45 0.00 0.00 34.95 30.41 1ujr s ARG 88 CO 0.63 -1.69 0.59 -0.98 -0.68 0.00 0.00 175.30 173.17 1ujr s ARG 89 N 5.52 1.22 0.18 3.54 1.70 -1.26 0.05 118.95 129.89 1ujr s ARG 89 Ca 0.86 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.74 1ujr s ARG 89 Cb -0.30 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1ujr s ARG 89 CO 0.34 -0.50 0.12 1.03 -1.08 0.00 0.00 175.30 175.21 1ujr s ARG 90 N -3.31 1.11 0.41 3.89 0.52 0.15 -4.94 118.95 116.78 1ujr s ARG 90 Ca -0.01 -1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 53.61 1ujr s ARG 90 Cb -0.01 0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.69 1ujr s ARG 90 CO -0.09 -0.35 0.71 0.15 0.02 0.00 0.00 175.30 175.73 1ujr s LYS 91 N -4.11 3.61 0.03 3.54 -0.14 -1.26 0.44 119.74 121.85 1ujr s LYS 91 Ca 0.32 0.16 0.02 0.00 -1.36 0.00 0.00 55.97 55.12 1ujr s LYS 91 Cb 0.07 -2.47 -0.02 0.00 -1.68 0.00 0.00 37.83 33.73 1ujr s LYS 91 CO 0.08 -0.04 -0.08 0.96 -0.76 0.00 0.00 175.35 175.51 1ujr s ILE 92 N -2.47 0.56 -0.09 2.17 -4.36 0.11 -0.06 121.20 117.06 1ujr s ILE 92 Ca 0.47 -0.86 -0.06 0.00 -0.26 0.00 0.00 60.65 59.95 1ujr s ILE 92 Cb -0.10 -0.58 0.03 0.00 1.25 0.00 0.00 42.46 43.06 1ujr s ILE 92 CO 0.38 -0.22 0.21 -1.59 0.24 0.00 0.00 174.94 173.96 1ujr s LYS 93 N -1.17 0.20 -0.28 0.37 -2.85 0.13 -4.64 119.74 111.50 1ujr s LYS 93 Ca -0.06 0.40 -0.24 0.00 -1.00 0.00 0.00 55.97 55.07 1ujr s LYS 93 Cb -0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 37.83 35.66 1ujr s LYS 93 CO 0.00 -0.11 0.82 0.50 0.10 0.00 0.00 175.35 176.67 1ujr s ARG 94 N 0.75 4.05 0.30 1.78 3.52 -1.26 0.32 118.95 128.40 1ujr s ARG 94 Ca -0.05 0.74 0.11 0.00 -0.13 0.00 0.00 55.73 56.40 1ujr s ARG 94 Cb -0.07 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 1ujr s ARG 94 CO -0.04 -0.63 -0.13 0.34 -0.81 0.00 0.00 175.30 174.03 1ujr s ASP 95 N 1.52 3.79 0.00 -2.12 2.15 0.12 -4.97 116.67 117.16 1ujr s ASP 95 Ca 0.34 -1.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.12 1ujr s ASP 95 Cb -0.14 -0.40 -0.06 0.00 -0.30 0.00 0.00 42.92 42.02 1ujr s ASP 95 CO 0.11 -0.05 0.51 -0.63 -0.17 0.00 0.00 175.17 174.94 1ujr s ILE 96 N -2.51 4.94 0.37 4.11 1.01 -1.26 0.20 121.20 128.05 1ujr s ILE 96 Ca 0.31 1.06 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1ujr s ILE 96 Cb -0.03 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1ujr s ILE 96 CO 0.16 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.98 1ujr s ILE 97 N -0.60 1.73 -0.77 2.92 -1.09 0.14 -4.83 121.20 118.69 1ujr s ILE 97 Ca 0.27 -2.02 -0.00 0.00 -2.23 0.00 0.00 60.65 56.67 1ujr s ILE 97 Cb -0.18 -2.87 0.19 0.00 -1.58 0.00 0.00 42.46 38.02 1ujr s ILE 97 CO 0.15 -0.04 0.61 1.51 -1.23 0.00 0.00 174.94 175.95 1ujr s ASP 98 N -3.61 5.47 -0.06 3.58 1.47 -1.26 0.21 116.67 122.47 1ujr s ASP 98 Ca 0.35 -3.53 -0.02 0.00 1.18 0.00 0.00 52.55 50.54 1ujr s ASP 98 Cb 0.09 -1.82 -0.04 0.00 -0.34 0.00 0.00 42.92 40.81 1ujr s ASP 98 CO 0.17 -0.20 0.03 -0.63 0.68 0.00 0.00 175.17 175.22 1ujr s ILE 99 N -1.04 4.51 -1.17 2.11 -1.09 -1.26 -4.90 121.20 118.36 1ujr s ILE 99 Ca 0.24 -0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 1ujr s ILE 99 Cb -0.11 -2.95 -0.07 0.00 -1.58 0.00 0.00 42.46 37.76 1ujr s ILE 99 CO -0.11 0.53 2.30 -0.81 -1.23 0.00 0.00 174.94 175.62 1ujr n PRO 100 N 1.86 2.50 -0.01 2.79 -0.04 -1.26 -4.39 135.00 136.44 1ujr n PRO 100 Ca -0.17 -1.96 -0.01 0.00 -0.04 0.00 0.00 63.50 61.32 1ujr n PRO 100 Cb 0.53 -2.82 -0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1ujr n PRO 100 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ujr n LYS 101 N 5.10 0.05 -0.36 0.54 3.00 -1.26 -4.03 118.16 121.19 1ujr n LYS 101 Ca 0.55 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 1ujr n LYS 101 Cb 0.27 -0.69 0.06 0.00 0.00 0.00 0.00 35.03 34.67 1ujr n LYS 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1ujr h LYS 102 N -0.09 -0.01 -0.24 1.64 1.57 -1.78 -0.41 116.57 117.25 1ujr h LYS 102 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1ujr h LYS 102 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1ujr h LYS 102 CO 0.00 -0.01 -0.21 0.78 -0.57 0.00 0.00 179.45 179.44 1ujr h GLY 103 N -0.01 -1.80 -7.32 3.86 0.00 -1.89 -2.84 103.07 93.07 1ujr h GLY 103 Ca 0.37 0.90 -0.64 0.00 0.00 0.00 0.00 47.33 47.96 1ujr h GLY 103 CO -0.97 -0.57 2.28 3.33 0.00 0.00 0.00 176.54 180.61 1ujr n VAL 104 N -3.74 3.47 -1.62 4.60 0.24 -0.16 -4.95 118.33 116.17 1ujr n VAL 104 Ca -0.00 -3.47 -0.35 0.00 -2.04 0.00 0.00 64.34 58.48 1ujr n VAL 104 Cb 0.11 -2.38 0.07 0.00 -1.47 0.00 0.00 33.84 30.17 1ujr n VAL 104 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ujr s SER 105 N 4.32 4.55 -0.50 -1.34 0.01 -1.07 -4.87 113.70 114.80 1ujr s SER 105 Ca 0.54 2.33 0.06 0.00 1.31 0.00 0.00 55.95 60.20 1ujr s SER 105 Cb 0.06 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 63.91 1ujr s SER 105 CO 0.05 -2.02 0.74 0.61 0.41 0.00 0.00 173.24 173.03 1ujr n GLY 106 N 0.33 -0.03 3.79 3.44 0.00 -1.26 -5.13 105.19 106.33 1ujr n GLY 106 Ca 0.13 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 0.67 1.58 0.19 1.61 0.04 -1.26 -5.09 135.00 132.74 1ujr s PRO 107 Ca 0.31 0.46 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 1ujr s PRO 107 Cb 0.08 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1ujr s PRO 107 CO -0.13 -1.93 0.08 0.45 0.04 0.00 0.00 177.00 175.52 1ujr s SER 108 N -3.97 0.59 0.36 6.66 0.15 -1.26 -5.14 113.70 111.09 1ujr s SER 108 Ca 0.62 -1.30 -0.26 0.00 0.70 0.00 0.00 55.95 55.71 1ujr s SER 108 Cb -0.15 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1ujr s SER 108 CO 0.54 -0.74 1.11 -0.44 1.20 0.00 0.00 173.24 174.91 1ujr s SER 109 N -3.16 6.83 0.00 5.45 0.01 -1.26 -5.37 113.70 116.20 1ujr s SER 109 Ca 0.32 2.23 0.27 0.00 1.31 0.00 0.00 55.95 60.09 1ujr s SER 109 Cb 0.07 -2.61 0.86 0.00 0.21 0.00 0.00 66.02 64.55 1ujr s SER 109 CO 0.08 -0.45 1.64 0.61 0.41 0.00 0.00 173.24 175.53