#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 6.23 -0.01 3.54 0.01 -1.26 -5.04 113.70 117.17 1ujr s SER 2 Ca 0.00 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1ujr s SER 2 Cb 0.00 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1ujr s SER 2 CO 0.00 -0.45 0.22 -0.55 0.41 0.00 0.00 173.24 172.87 1ujr s SER 3 N 1.77 -0.09 -0.37 2.44 0.15 -1.26 -5.12 113.70 111.22 1ujr s SER 3 Ca 0.14 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1ujr s SER 3 Cb -0.16 0.28 0.15 0.00 -1.71 0.00 0.00 66.02 64.57 1ujr s SER 3 CO 0.13 -0.38 0.26 -0.83 1.20 0.00 0.00 173.24 173.61 1ujr s GLY 4 N -1.25 0.79 -0.30 9.45 0.00 -1.26 -5.03 107.32 109.73 1ujr s GLY 4 Ca -0.13 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 42.65 1ujr s GLY 4 CO 0.03 2.19 0.89 -0.56 0.00 0.00 0.00 173.10 175.64 1ujr s SER 5 N 0.92 -0.82 0.49 1.64 0.01 -1.26 -5.12 113.70 109.55 1ujr s SER 5 Ca 0.21 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1ujr s SER 5 Cb -0.17 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1ujr s SER 5 CO -0.03 -0.15 0.00 -1.20 0.41 0.00 0.00 173.24 172.26 1ujr n SER 6 N 5.38 -7.27 0.00 2.44 7.64 -1.26 -4.74 113.62 115.81 1ujr n SER 6 Ca -0.01 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1ujr n SER 6 Cb 0.54 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 7 N -4.08 1.70 3.17 0.23 0.00 -1.26 -4.71 105.19 100.25 1ujr n GLY 7 Ca -0.06 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.26 -0.31 1.61 0.40 -1.26 -4.61 117.98 117.07 1ujr s PHE 8 Ca 0.00 -1.87 -0.00 0.00 -0.60 0.00 0.00 56.93 54.46 1ujr s PHE 8 Cb 0.00 -2.10 0.30 0.00 0.51 0.00 0.00 43.02 41.73 1ujr s PHE 8 CO 0.00 -0.80 1.34 1.28 0.70 0.00 0.00 175.22 177.74 1ujr n LEU 9 N 4.62 -1.12 -2.36 -0.37 4.77 -1.26 -4.55 117.00 116.73 1ujr n LEU 9 Ca -0.13 -1.65 -0.04 0.00 -0.03 0.00 0.00 56.01 54.16 1ujr n LEU 9 Cb 0.43 0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 42.21 1ujr n LEU 9 CO 0.26 1.54 -0.54 -0.67 -1.33 0.00 0.00 177.39 176.65 1ujr n ASP 10 N 1.08 -1.69 -0.83 -1.43 2.03 -1.26 -4.93 116.55 109.51 1ujr n ASP 10 Ca -0.03 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1ujr n ASP 10 Cb 0.74 -4.53 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 1ujr n ASP 10 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ujr n LYS 11 N 1.43 -2.31 0.00 -0.67 4.81 -1.26 -5.00 118.16 115.15 1ujr n LYS 11 Ca -0.31 1.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.89 1ujr n LYS 11 Cb 0.47 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1ujr n LYS 11 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ujr n PRO 12 N -1.39 -0.22 -1.24 1.64 -0.04 -1.26 -4.86 135.00 127.63 1ujr n PRO 12 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1ujr n PRO 12 Cb 0.10 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.57 1ujr n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujr n THR 13 N -1.88 0.21 1.48 0.52 -2.24 -1.26 -4.82 114.28 106.29 1ujr n THR 13 Ca 0.00 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1ujr n THR 13 Cb 0.00 -0.07 0.50 0.00 -2.10 0.00 0.00 70.33 68.66 1ujr n THR 13 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ujr n LEU 14 N 2.39 1.26 0.00 3.22 -0.00 -1.26 -4.88 117.00 117.74 1ujr n LEU 14 Ca 0.07 -0.48 -0.18 0.00 -0.00 0.00 0.00 56.01 55.41 1ujr n LEU 14 Cb 0.48 -0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 1ujr n LEU 14 CO 0.54 0.24 -0.10 0.18 -0.00 0.00 0.00 177.39 178.25 1ujr n LEU 15 N 0.02 0.00 -4.74 -1.96 4.77 -1.26 -5.18 117.00 108.65 1ujr n LEU 15 Ca 0.18 -2.91 -0.23 0.00 -0.03 0.00 0.00 56.01 53.02 1ujr n LEU 15 Cb 0.29 1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 42.80 1ujr n LEU 15 CO 0.14 -0.48 -0.19 -0.94 -1.33 0.00 0.00 177.39 174.59 1ujr s SER 16 N -3.16 4.73 0.19 -1.43 1.04 -1.26 -5.01 113.70 108.80 1ujr s SER 16 Ca 0.35 -0.75 0.24 0.00 0.48 0.00 0.00 55.95 56.28 1ujr s SER 16 Cb 0.02 -0.75 0.91 0.00 0.10 0.00 0.00 66.02 66.29 1ujr s SER 16 CO 0.25 -0.30 1.74 -0.81 0.98 0.00 0.00 173.24 175.10 1ujr n PRO 17 N -1.16 0.19 0.09 4.02 -0.04 -1.26 -2.80 135.00 134.03 1ujr n PRO 17 Ca -0.03 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.56 1ujr n PRO 17 Cb 0.61 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1ujr n PRO 17 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujr h GLU 18 N 0.00 0.23 -0.87 0.54 5.08 -2.02 -3.29 114.58 114.24 1ujr h GLU 18 Ca 0.00 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1ujr h GLU 18 Cb 0.52 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1ujr h GLU 18 CO 0.00 1.15 0.57 1.49 -1.00 0.00 0.00 179.01 181.22 1ujr h GLU 19 N 0.06 1.06 -0.32 2.33 4.57 -1.93 0.63 114.58 120.97 1ujr h GLU 19 Ca -0.15 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.06 1ujr h GLU 19 Cb 1.96 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1ujr h GLU 19 CO 0.18 0.70 0.50 1.25 -1.18 0.00 0.00 179.01 180.46 1ujr h LEU 20 N 1.09 0.00 -0.24 1.64 5.85 -1.64 0.51 115.31 122.52 1ujr h LEU 20 Ca 0.35 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1ujr h LEU 20 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ujr h LEU 20 CO -0.10 0.00 0.00 0.11 -0.34 0.00 0.00 178.44 178.11 1ujr h LYS 21 N 0.00 0.43 -1.44 1.25 1.79 -1.04 -2.34 116.57 115.22 1ujr h LYS 21 Ca 0.15 -0.14 0.42 0.00 -2.18 0.00 0.00 60.65 58.90 1ujr h LYS 21 Cb 1.15 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.71 1ujr h LYS 21 CO -0.00 0.60 1.13 0.00 -1.08 0.00 0.00 179.45 180.10 1ujr h ALA 22 N 0.81 3.35 0.11 3.86 0.00 -0.06 0.77 119.26 128.09 1ujr h ALA 22 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ujr h ALA 22 Cb 0.41 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ujr h ALA 22 CO 0.01 -1.87 -0.23 0.00 0.00 0.00 0.00 179.25 177.16 1ujr h ALA 23 N 1.09 -0.38 0.02 0.00 0.00 -1.47 0.51 119.26 119.03 1ujr h ALA 23 Ca 0.68 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1ujr h ALA 23 Cb 2.94 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 21.08 1ujr h ALA 23 CO -0.01 -0.76 -0.05 1.03 0.00 0.00 0.00 179.25 179.46 1ujr h SER 24 N -0.42 -0.14 0.16 0.00 0.87 0.41 0.12 113.55 114.55 1ujr h SER 24 Ca 0.03 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ujr h SER 24 Cb 0.45 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1ujr h SER 24 CO -0.13 -0.08 0.00 0.54 -0.53 0.00 0.00 176.83 176.63 1ujr n ARG 25 N -5.16 0.12 -0.32 2.24 1.74 -1.00 -2.87 116.66 111.41 1ujr n ARG 25 Ca -0.07 0.56 0.32 0.00 -0.77 0.00 0.00 57.85 57.89 1ujr n ARG 25 Cb 0.09 -1.85 0.59 0.00 -1.02 0.00 0.00 32.46 30.26 1ujr n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujr n GLY 26 N -1.02 -0.76 0.58 -0.13 0.00 0.17 0.19 105.19 104.22 1ujr n GLY 26 Ca -0.00 0.81 0.36 0.00 0.00 0.00 0.00 46.02 47.19 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 0.00 0.00 1.61 -1.24 -1.68 -1.74 115.58 112.53 1ujr h ASN 27 Ca 0.85 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.86 1ujr h ASN 27 Cb 2.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.28 1ujr h ASN 27 CO -0.77 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 175.98 1ujr n GLY 28 N -1.77 -3.22 0.11 1.57 0.00 0.49 -4.88 105.19 97.49 1ujr n GLY 28 Ca 0.29 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 -2.52 0.02 -5.24 1.61 1.02 0.74 -4.86 120.64 111.42 1ujr n GLU 29 Ca 0.00 -0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.74 1ujr n GLU 29 Cb 0.00 0.09 -0.16 0.00 -0.02 0.00 0.00 31.44 31.35 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1ujr s TYR 30 N -5.05 2.34 0.55 -0.32 -0.85 -1.26 0.41 117.35 113.17 1ujr s TYR 30 Ca 0.01 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1ujr s TYR 30 Cb -0.00 -1.49 0.03 0.00 0.38 0.00 0.00 41.96 40.88 1ujr s TYR 30 CO 0.01 -0.01 0.25 0.00 -1.52 0.00 0.00 175.55 174.28 1ujr n ALA 31 N 2.34 0.70 -2.51 9.51 0.00 0.16 -4.77 120.51 125.94 1ujr n ALA 31 Ca -0.16 -2.31 -0.25 0.00 0.00 0.00 0.00 53.44 50.72 1ujr n ALA 31 Cb 0.51 1.08 -0.12 0.00 0.00 0.00 0.00 19.45 20.92 1ujr n ALA 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ujr s TRP 32 N -2.85 1.88 0.05 0.00 0.52 -1.26 0.41 118.94 117.70 1ujr s TRP 32 Ca 0.19 -0.42 -0.05 0.00 0.02 0.00 0.00 56.10 55.84 1ujr s TRP 32 Cb -0.02 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 1ujr s TRP 32 CO 0.12 0.25 0.08 0.71 0.02 0.00 0.00 176.95 178.13 1ujr s TYR 33 N -1.26 0.28 0.13 -1.98 1.51 0.13 -4.20 117.35 111.95 1ujr s TYR 33 Ca 0.09 -0.68 0.07 0.00 -1.01 0.00 0.00 57.07 55.54 1ujr s TYR 33 Cb -0.09 -0.19 -0.04 0.00 -0.11 0.00 0.00 41.96 41.53 1ujr s TYR 33 CO 0.05 -0.41 -0.16 1.52 -1.11 0.00 0.00 175.55 175.44 1ujr s TYR 34 N -3.25 1.59 0.31 2.71 1.13 0.97 0.24 117.35 121.04 1ujr s TYR 34 Ca 0.00 -0.50 -0.29 0.00 -1.41 0.00 0.00 57.07 54.87 1ujr s TYR 34 Cb 0.03 -0.82 -0.12 0.00 -1.10 0.00 0.00 41.96 39.94 1ujr s TYR 34 CO -0.08 0.21 1.39 -1.91 -2.51 0.00 0.00 175.55 172.66 1ujr n GLU 35 N 0.57 2.27 0.00 -3.49 2.13 0.15 -0.02 120.64 122.25 1ujr n GLU 35 Ca -0.16 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1ujr n GLU 35 Cb 0.56 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 1.30 5.47 0.02 8.31 0.00 0.11 -4.72 105.19 115.69 1ujr n GLY 36 Ca 0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 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 0.06 1.61 2.47 -1.96 -3.40 114.38 113.16 1ujr h ARG 37 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1ujr h ARG 37 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1ujr h ARG 37 CO 0.00 0.00 -0.11 -0.97 0.56 0.00 0.00 179.97 179.45 1ujr h ASN 38 N -0.36 -0.30 0.00 7.04 -0.73 -2.00 -3.48 115.58 115.76 1ujr h ASN 38 Ca 0.00 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1ujr h ASN 38 Cb 0.09 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1ujr h ASN 38 CO 0.00 -0.16 0.00 0.61 -0.37 0.00 0.00 177.43 177.51 1ujr n GLY 39 N -1.23 -1.39 3.22 1.57 0.00 -1.26 -5.13 105.19 100.97 1ujr n GLY 39 Ca -0.07 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 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 0.43 2.60 0.19 1.61 0.52 -1.26 0.09 118.94 123.12 1ujr s TRP 40 Ca 0.00 -1.09 0.08 0.00 0.02 0.00 0.00 56.10 55.12 1ujr s TRP 40 Cb 0.00 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1ujr s TRP 40 CO 0.00 -0.45 -0.04 -1.58 0.02 0.00 0.00 176.95 174.90 1ujr s TRP 41 N 0.44 2.74 0.16 -1.98 0.52 0.97 -4.87 118.94 116.93 1ujr s TRP 41 Ca -0.16 -0.18 -0.14 0.00 0.02 0.00 0.00 56.10 55.64 1ujr s TRP 41 Cb -0.17 -1.32 -0.07 0.00 -1.15 0.00 0.00 33.47 30.75 1ujr s TRP 41 CO 0.07 0.53 0.55 -1.14 0.02 0.00 0.00 176.95 176.98 1ujr s GLN 42 N -2.97 3.95 0.00 4.98 0.74 -1.26 -0.02 119.66 125.08 1ujr s GLN 42 Ca 0.27 0.46 0.00 0.00 0.05 0.00 0.00 55.36 56.14 1ujr s GLN 42 Cb -0.09 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.15 1ujr s GLN 42 CO 0.17 0.45 0.66 0.66 -0.55 0.00 0.00 175.29 176.68 1ujr n TYR 43 N 0.63 0.00 0.00 1.67 4.01 -1.26 -4.93 117.16 117.28 1ujr n TYR 43 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1ujr n TYR 43 Cb 0.52 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.99 0.00 0.00 7.72 -0.08 -1.26 -5.03 116.55 115.91 1ujr n ASP 44 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ujr n ASP 44 Cb 0.00 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ujr n GLU 45 N -1.53 0.00 -0.02 -0.67 2.13 -1.26 -4.99 120.64 114.30 1ujr n GLU 45 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1ujr n GLU 45 Cb 0.00 0.00 -0.10 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 -0.06 -0.91 5.31 2.47 -1.98 -1.75 114.38 117.46 1ujr h ARG 46 Ca 0.00 0.00 0.26 0.00 -1.26 0.00 0.00 59.98 58.98 1ujr h ARG 46 Cb 0.00 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.19 1ujr h ARG 46 CO 0.00 0.56 0.30 1.15 0.56 0.00 0.00 179.97 182.55 1ujr h THR 47 N -0.86 0.30 -0.06 2.04 2.02 -1.95 0.19 112.91 114.59 1ujr h THR 47 Ca -0.01 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1ujr h THR 47 Cb 0.66 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ujr h THR 47 CO 0.01 0.04 -0.14 0.77 0.37 0.00 0.00 175.52 176.58 1ujr h SER 48 N 0.22 0.22 -1.43 4.18 4.64 -1.95 -2.28 113.55 117.16 1ujr h SER 48 Ca 0.60 -0.58 0.41 0.00 -0.47 0.00 0.00 61.79 61.75 1ujr h SER 48 Cb 1.24 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 1ujr h SER 48 CO -0.66 0.76 1.15 0.03 -0.87 0.00 0.00 176.83 177.24 1ujr h ARG 49 N -0.31 0.00 0.08 4.77 3.08 0.29 2.03 114.38 124.32 1ujr h ARG 49 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1ujr h ARG 49 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1ujr h ARG 49 CO 0.03 0.00 -1.87 0.39 -1.07 0.00 0.00 179.97 177.45 1ujr n GLU 50 N -3.83 0.71 -0.04 0.04 -0.58 -0.69 -2.96 120.64 113.29 1ujr n GLU 50 Ca 0.32 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 57.22 1ujr n GLU 50 Cb 1.59 -1.75 0.02 0.00 -0.57 0.00 0.00 31.44 30.73 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 0.04 0.78 -0.57 -4.62 3.38 0.28 -0.12 115.31 114.49 1ujr h LEU 51 Ca -0.37 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 1ujr h LEU 51 Cb 2.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1ujr h LEU 51 CO 0.09 1.16 -0.30 1.05 0.09 0.00 0.00 178.44 180.53 1ujr h GLU 52 N 0.55 0.83 0.13 1.13 4.11 0.23 -1.19 114.58 120.36 1ujr h GLU 52 Ca 0.02 -0.38 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 1ujr h GLU 52 Cb 1.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ujr h GLU 52 CO 0.11 1.02 -0.06 0.22 0.07 0.00 0.00 179.01 180.36 1ujr h ASP 53 N 0.70 -0.14 0.03 3.06 1.82 -1.42 -2.35 116.42 118.12 1ujr h ASP 53 Ca 0.08 -0.31 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1ujr h ASP 53 Cb 0.84 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.89 1ujr h ASP 53 CO 0.07 0.26 -0.05 0.00 -1.61 0.00 0.00 179.24 177.91 1ujr h ALA 54 N 0.22 -0.69 -0.87 -0.78 0.00 -1.00 1.16 119.26 117.31 1ujr h ALA 54 Ca -0.02 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1ujr h ALA 54 Cb 0.45 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 18.47 1ujr h ALA 54 CO 0.03 -0.70 -0.15 0.34 0.00 0.00 0.00 179.25 178.77 1ujr n PHE 55 N -2.63 0.38 0.22 0.00 7.35 -0.46 0.54 117.46 122.85 1ujr n PHE 55 Ca -0.01 1.05 -0.09 0.00 -0.76 0.00 0.00 57.45 57.65 1ujr n PHE 55 Cb 0.04 -1.05 -0.04 0.00 0.35 0.00 0.00 39.48 38.78 1ujr n PHE 55 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ujr h SER 56 N 0.00 -0.48 -1.11 -2.13 0.02 -0.89 -3.00 113.55 105.95 1ujr h SER 56 Ca 0.45 0.02 0.44 0.00 -0.84 0.00 0.00 61.79 61.85 1ujr h SER 56 Cb 0.76 0.12 -0.17 0.00 0.14 0.00 0.00 62.40 63.26 1ujr h SER 56 CO -0.87 -0.26 0.64 0.29 -1.14 0.00 0.00 176.83 175.49 1ujr n LYS 57 N -4.01 -0.05 0.00 3.45 5.02 0.40 -4.71 118.16 118.25 1ujr n LYS 57 Ca -0.07 1.34 0.00 0.00 -2.02 0.00 0.00 58.31 57.56 1ujr n LYS 57 Cb 0.22 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 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 -1.34 1.48 3.68 0.72 0.00 0.19 -5.07 105.19 104.85 1ujr n GLY 58 Ca 0.39 0.00 -0.44 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 2.01 -0.07 1.61 5.02 -0.58 -4.87 118.16 121.28 1ujr n LYS 59 Ca 0.00 0.71 -0.08 0.00 -2.02 0.00 0.00 58.31 56.91 1ujr n LYS 59 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 35.03 32.67 1ujr n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ujr h LYS 60 N 3.11 0.00 -6.14 1.97 6.56 -1.93 -3.21 116.57 116.93 1ujr h LYS 60 Ca -0.45 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.61 1ujr h LYS 60 Cb 1.29 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.88 1ujr h LYS 60 CO 0.67 0.37 -0.52 0.54 -2.06 0.00 0.00 179.45 178.46 1ujr s ASN 61 N -5.99 4.91 -0.23 0.86 2.20 -1.26 0.13 114.94 115.57 1ujr s ASN 61 Ca -0.14 -0.65 -0.09 0.00 -0.94 0.00 0.00 52.86 51.04 1ujr s ASN 61 Cb 0.01 -0.85 0.10 0.00 -2.00 0.00 0.00 41.25 38.51 1ujr s ASN 61 CO 0.31 -0.28 0.51 0.28 -2.94 0.00 0.00 177.10 174.98 1ujr s THR 62 N -2.37 -0.60 -0.08 0.54 -1.32 0.13 -4.95 115.64 106.99 1ujr s THR 62 Ca 0.38 0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.70 1ujr s THR 62 Cb -0.04 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1ujr s THR 62 CO 0.24 0.04 0.79 -1.61 -2.21 0.00 0.00 174.62 171.86 1ujr s GLU 63 N 2.44 4.42 -0.15 7.08 2.02 -1.26 0.09 118.70 133.33 1ujr s GLU 63 Ca -0.05 1.02 -0.00 0.00 0.02 0.00 0.00 54.97 55.96 1ujr s GLU 63 Cb -0.11 -3.48 0.03 0.00 0.10 0.00 0.00 34.13 30.67 1ujr s GLU 63 CO -0.15 -0.06 -0.09 0.00 0.02 0.00 0.00 175.26 174.98 1ujr s MET 64 N 1.19 1.79 -0.64 1.61 0.23 0.14 -4.97 119.30 118.66 1ujr s MET 64 Ca 0.40 -0.52 -0.23 0.00 -1.03 0.00 0.00 55.69 54.32 1ujr s MET 64 Cb -0.18 -2.00 0.06 0.00 -1.53 0.00 0.00 34.83 31.19 1ujr s MET 64 CO 0.19 -0.34 0.96 -1.17 -2.03 0.00 0.00 175.02 172.63 1ujr s LEU 65 N 1.57 4.33 0.90 0.18 2.96 -1.26 0.12 118.68 127.48 1ujr s LEU 65 Ca 0.03 -0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 52.92 1ujr s LEU 65 Cb -0.14 -2.48 0.17 0.00 0.50 0.00 0.00 46.19 44.24 1ujr s LEU 65 CO -0.09 -1.41 1.24 -0.63 -1.32 0.00 0.00 176.35 174.15 1ujr s ILE 66 N 4.05 2.03 -0.93 6.68 1.01 0.13 -4.81 121.20 129.37 1ujr s ILE 66 Ca 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1ujr s ILE 66 Cb -0.16 -2.91 -0.27 0.00 0.01 0.00 0.00 42.46 39.13 1ujr s ILE 66 CO 0.12 0.00 2.29 0.00 0.00 0.00 0.00 174.94 177.34 1ujr n ALA 67 N -3.54 0.84 -3.86 9.38 0.00 -1.26 0.14 120.51 122.21 1ujr n ALA 67 Ca 0.14 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.40 1ujr n ALA 67 Cb 0.60 -2.63 0.04 0.00 0.00 0.00 0.00 19.45 17.46 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 5.94 -0.49 2.88 0.00 0.00 -1.26 -4.95 105.19 107.31 1ujr n GLY 68 Ca 0.62 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.32 -0.79 -0.16 1.61 0.08 0.12 -5.11 117.98 110.40 1ujr s PHE 69 Ca 0.62 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 1ujr s PHE 69 Cb -0.30 -0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1ujr s PHE 69 CO 0.81 -1.00 1.56 -1.17 -0.10 0.00 0.00 175.22 175.32 1ujr s LEU 70 N 2.01 4.07 0.29 -0.37 0.20 -1.26 0.21 118.68 123.82 1ujr s LEU 70 Ca 0.13 1.80 0.11 0.00 0.69 0.00 0.00 54.13 56.87 1ujr s LEU 70 Cb -0.12 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.05 1ujr s LEU 70 CO -0.17 -1.07 -0.16 -0.31 -0.29 0.00 0.00 176.35 174.35 1ujr s TYR 71 N 4.56 2.36 -0.03 5.38 2.02 0.12 -0.07 117.35 131.68 1ujr s TYR 71 Ca 0.69 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 1ujr s TYR 71 Cb -0.27 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 1ujr s TYR 71 CO 0.27 0.68 -0.01 0.08 -1.57 0.00 0.00 175.55 175.00 1ujr s VAL 72 N -2.50 0.26 -0.07 0.71 1.01 0.19 0.26 120.40 120.26 1ujr s VAL 72 Ca 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1ujr s VAL 72 Cb -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1ujr s VAL 72 CO 0.16 0.16 0.03 0.00 0.00 0.00 0.00 175.10 175.45 1ujr s ALA 73 N 0.96 3.40 -0.28 5.51 0.00 0.11 0.04 121.76 131.50 1ujr s ALA 73 Ca -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1ujr s ALA 73 Cb -0.14 -1.55 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1ujr s ALA 73 CO -0.01 0.61 0.06 0.34 0.00 0.00 0.00 175.76 176.76 1ujr s ASP 74 N -1.06 3.84 0.12 0.00 -1.08 0.15 0.21 116.67 118.86 1ujr s ASP 74 Ca 0.15 -1.45 -0.10 0.00 -0.52 0.00 0.00 52.55 50.64 1ujr s ASP 74 Cb -0.11 -0.92 -0.10 0.00 -1.46 0.00 0.00 42.92 40.33 1ujr s ASP 74 CO 0.04 -0.36 1.34 -0.07 0.52 0.00 0.00 175.17 176.64 1ujr h LEU 75 N 8.06 0.82 -0.93 -1.34 3.38 -0.53 0.62 115.31 125.39 1ujr h LEU 75 Ca -0.14 -0.54 0.25 0.00 0.09 0.00 0.00 57.88 57.54 1ujr h LEU 75 Cb 1.04 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.38 1ujr h LEU 75 CO 0.44 1.33 0.06 -0.33 0.09 0.00 0.00 178.44 180.03 1ujr h GLU 76 N 0.47 0.05 0.00 1.13 5.08 -1.94 0.45 114.58 119.82 1ujr h GLU 76 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ujr h GLU 76 Cb 1.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1ujr h GLU 76 CO 0.15 0.03 -1.24 0.09 -1.00 0.00 0.00 179.01 177.05 1ujr n ASN 77 N -5.42 0.77 -2.13 1.42 3.02 -1.21 -4.99 115.26 106.72 1ujr n ASN 77 Ca 0.22 -0.63 -0.12 0.00 -0.03 0.00 0.00 54.58 54.02 1ujr n ASN 77 Cb 0.71 1.30 0.04 0.00 -0.61 0.00 0.00 39.78 41.23 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 -1.70 -4.08 -4.13 3.52 1.56 0.17 -4.93 117.12 107.53 1ujr n MET 78 Ca 0.01 0.43 -0.11 0.00 -0.27 0.00 0.00 57.70 57.77 1ujr n MET 78 Cb 0.37 -4.26 -0.10 0.00 2.15 0.00 0.00 33.22 31.37 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1ujr s VAL 79 N -3.17 0.59 -0.11 1.12 -7.23 0.13 -0.22 120.40 111.51 1ujr s VAL 79 Ca 0.27 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1ujr s VAL 79 Cb -0.12 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1ujr s VAL 79 CO 0.38 -0.74 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.17 1ujr s GLN 80 N -3.15 2.32 0.08 4.82 -0.21 0.99 0.33 119.66 124.83 1ujr s GLN 80 Ca 0.05 -0.60 0.05 0.00 0.02 0.00 0.00 55.36 54.87 1ujr s GLN 80 Cb 0.01 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 1ujr s GLN 80 CO -0.04 -0.03 -0.13 1.52 -2.12 0.00 0.00 175.29 174.49 1ujr s TYR 81 N 0.89 1.17 0.63 0.91 -0.85 0.11 0.47 117.35 120.68 1ujr s TYR 81 Ca -0.08 -0.49 -0.19 0.00 -0.52 0.00 0.00 57.07 55.79 1ujr s TYR 81 Cb -0.15 -0.65 -0.02 0.00 0.38 0.00 0.00 41.96 41.51 1ujr s TYR 81 CO -0.00 0.05 1.30 -2.13 -1.52 0.00 0.00 175.55 173.25 1ujr n ARG 82 N 1.16 1.24 0.00 -3.49 0.63 0.88 0.54 116.66 117.62 1ujr n ARG 82 Ca -0.20 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1ujr n ARG 82 Cb 0.55 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1ujr n ARG 82 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ujr n ARG 83 N -1.69 0.00 0.28 -0.14 0.00 0.90 -3.45 116.66 112.55 1ujr n ARG 83 Ca 0.15 0.50 -0.15 0.00 -0.00 0.00 0.00 57.85 58.35 1ujr n ARG 83 Cb 0.47 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 31.36 1ujr n ARG 83 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ujr h ASN 84 N 0.00 -0.62 -2.74 6.15 -1.24 -1.93 -3.38 115.58 111.82 1ujr h ASN 84 Ca 0.00 -0.05 -0.63 0.00 0.71 0.00 0.00 56.30 56.34 1ujr h ASN 84 Cb 0.00 0.16 -0.14 0.00 0.73 0.00 0.00 38.32 39.07 1ujr h ASN 84 CO 0.00 -0.29 0.55 -1.61 -1.29 0.00 0.00 177.43 174.79 1ujr s GLU 85 N -5.06 3.14 0.19 6.67 2.02 -1.25 -4.85 118.70 119.56 1ujr s GLU 85 Ca -0.15 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.17 1ujr s GLU 85 Cb 0.02 -4.20 0.08 0.00 0.10 0.00 0.00 34.13 30.13 1ujr s GLU 85 CO 0.52 -1.77 1.44 1.12 0.02 0.00 0.00 175.26 176.60 1ujr h HIS 86 N 9.53 0.10 -0.62 1.61 2.07 -1.74 -2.54 115.15 123.56 1ujr h HIS 86 Ca -0.28 -0.06 0.13 0.00 -2.85 0.00 0.00 60.37 57.31 1ujr h HIS 86 Cb 1.07 -0.01 -0.10 0.00 2.57 0.00 0.00 27.41 30.94 1ujr h HIS 86 CO 0.96 0.85 0.05 0.78 -3.07 0.00 0.00 177.93 177.50 1ujr h GLY 87 N 2.16 0.72 -6.82 6.13 0.00 -1.88 -3.37 103.07 100.01 1ujr h GLY 87 Ca -0.02 0.04 -0.57 0.00 0.00 0.00 0.00 47.33 46.79 1ujr h GLY 87 CO 0.11 -0.18 1.11 0.50 0.00 0.00 0.00 176.54 178.08 1ujr s ARG 88 N -6.13 3.51 0.28 4.80 1.81 -1.22 -4.94 118.95 117.06 1ujr s ARG 88 Ca -0.13 0.97 -0.18 0.00 -1.72 0.00 0.00 55.73 54.67 1ujr s ARG 88 Cb 0.19 -4.06 0.01 0.00 -0.45 0.00 0.00 34.95 30.64 1ujr s ARG 88 CO 0.74 -1.65 0.65 -0.98 -0.68 0.00 0.00 175.30 173.38 1ujr s ARG 89 N 5.11 1.75 -0.11 3.54 1.70 -1.26 -0.08 118.95 129.60 1ujr s ARG 89 Ca 0.64 -1.11 -0.28 0.00 -0.47 0.00 0.00 55.73 54.50 1ujr s ARG 89 Cb -0.15 0.57 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 1ujr s ARG 89 CO 0.32 -0.78 0.67 1.03 -1.08 0.00 0.00 175.30 175.46 1ujr s ARG 90 N -3.82 0.97 0.42 3.89 3.00 0.18 -4.95 118.95 118.64 1ujr s ARG 90 Ca 0.15 0.44 -0.25 0.00 0.00 0.00 0.00 55.73 56.07 1ujr s ARG 90 Cb -0.04 0.46 -0.08 0.00 0.00 0.00 0.00 34.95 35.29 1ujr s ARG 90 CO 0.08 -0.26 1.22 0.15 0.00 0.00 0.00 175.30 176.49 1ujr s LYS 91 N -0.76 3.92 0.34 3.54 1.02 -1.26 -0.01 119.74 126.52 1ujr s LYS 91 Ca -0.08 1.94 0.09 0.00 0.02 0.00 0.00 55.97 57.94 1ujr s LYS 91 Cb -0.02 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 1ujr s LYS 91 CO 0.07 -0.47 -0.05 0.96 -0.92 0.00 0.00 175.35 174.95 1ujr s ILE 92 N -1.39 2.45 0.19 2.17 -4.36 0.69 0.30 121.20 121.24 1ujr s ILE 92 Ca 0.59 -2.10 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 1ujr s ILE 92 Cb -0.33 -2.70 0.01 0.00 1.25 0.00 0.00 42.46 40.68 1ujr s ILE 92 CO 0.41 -0.21 0.41 -1.59 0.24 0.00 0.00 174.94 174.20 1ujr s LYS 93 N -3.66 1.29 -0.22 0.37 -2.85 0.14 -4.78 119.74 110.03 1ujr s LYS 93 Ca 0.33 -1.05 -0.06 0.00 -1.00 0.00 0.00 55.97 54.20 1ujr s LYS 93 Cb 0.01 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1ujr s LYS 93 CO 0.18 -0.52 0.01 0.50 0.10 0.00 0.00 175.35 175.63 1ujr s ARG 94 N -3.93 3.57 0.58 1.78 3.52 -1.26 0.19 118.95 123.40 1ujr s ARG 94 Ca 0.14 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1ujr s ARG 94 Cb 0.01 -3.15 0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1ujr s ARG 94 CO -0.00 -0.11 0.68 -3.47 -0.81 0.00 0.00 175.30 171.59 1ujr n ASP 95 N 4.60 2.41 -4.17 -2.12 2.03 0.17 -4.89 116.55 114.57 1ujr n ASP 95 Ca -0.17 -2.72 -0.33 0.00 0.52 0.00 0.00 54.79 52.10 1ujr n ASP 95 Cb 0.51 -0.29 -0.16 0.00 -0.72 0.00 0.00 41.12 40.46 1ujr n ASP 95 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ujr s ILE 96 N -2.74 2.13 0.00 5.18 -1.09 -1.26 0.36 121.20 123.78 1ujr s ILE 96 Ca 0.51 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1ujr s ILE 96 Cb -0.04 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 1ujr s ILE 96 CO 0.33 0.54 0.00 -0.38 -1.23 0.00 0.00 174.94 174.20 1ujr n ILE 97 N 4.22 0.00 -2.94 2.92 2.08 0.17 -4.64 119.36 121.16 1ujr n ILE 97 Ca -0.20 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.15 1ujr n ILE 97 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 1ujr n ILE 97 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1ujr s ASP 98 N 1.17 -0.06 -0.01 4.38 -4.77 -1.26 -0.18 116.67 115.93 1ujr s ASP 98 Ca 0.00 -0.01 0.04 0.00 -3.30 0.00 0.00 52.55 49.29 1ujr s ASP 98 Cb 0.00 0.62 -0.03 0.00 -1.09 0.00 0.00 42.92 42.42 1ujr s ASP 98 CO 0.00 -0.01 -0.13 -0.63 0.70 0.00 0.00 175.17 175.10 1ujr s ILE 99 N 2.56 3.13 -0.06 2.11 1.09 -1.26 -4.87 121.20 123.90 1ujr s ILE 99 Ca 0.25 -0.86 -0.30 0.00 -1.10 0.00 0.00 60.65 58.64 1ujr s ILE 99 Cb 0.02 -2.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.11 1ujr s ILE 99 CO -0.20 0.48 1.23 -2.16 -0.10 0.00 0.00 174.94 174.18 1ujr s PRO 100 N -1.08 4.33 -0.07 2.79 0.04 -1.26 -4.91 135.00 134.84 1ujr s PRO 100 Ca 0.14 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1ujr s PRO 100 Cb -0.11 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1ujr s PRO 100 CO 0.03 -0.49 -0.12 1.17 0.04 0.00 0.00 177.00 177.63 1ujr n LYS 101 N 5.38 0.22 -0.33 4.56 4.81 -1.26 -4.08 118.16 127.46 1ujr n LYS 101 Ca 0.11 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.69 1ujr n LYS 101 Cb 0.46 -1.05 -0.08 0.00 0.02 0.00 0.00 35.03 34.38 1ujr n LYS 101 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ujr h LYS 102 N -0.46 -0.02 -0.99 1.64 1.57 -1.92 0.80 116.57 117.19 1ujr h LYS 102 Ca 0.00 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.08 1ujr h LYS 102 Cb 0.35 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 1ujr h LYS 102 CO 0.00 -0.01 0.12 0.41 -0.57 0.00 0.00 179.45 179.40 1ujr n GLY 103 N -1.21 -1.22 0.18 3.86 0.00 -1.26 -0.97 105.19 104.57 1ujr n GLY 103 Ca 0.01 0.94 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 1ujr n GLY 103 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ujr h VAL 104 N 0.00 0.00 -2.54 1.61 2.07 0.32 -3.47 116.25 114.24 1ujr h VAL 104 Ca 0.65 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.92 1ujr h VAL 104 Cb 1.43 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.98 1ujr h VAL 104 CO -0.90 0.00 -0.11 -0.55 0.02 0.00 0.00 177.57 176.04 1ujr s SER 105 N -3.37 -0.48 0.03 0.57 0.15 0.39 -5.11 113.70 105.88 1ujr s SER 105 Ca -0.06 0.80 -0.30 0.00 0.70 0.00 0.00 55.95 57.09 1ujr s SER 105 Cb 0.01 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 1ujr s SER 105 CO 0.19 -0.29 0.98 -0.83 1.20 0.00 0.00 173.24 174.49 1ujr s GLY 106 N -0.24 2.93 -0.42 9.45 0.00 -1.24 -3.85 107.32 113.95 1ujr s GLY 106 Ca -0.04 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1ujr s GLY 106 CO 0.03 1.64 1.41 2.56 0.00 0.00 0.00 173.10 178.73 1ujr s PRO 107 N 0.76 3.56 -0.82 2.90 0.04 -1.26 -4.95 135.00 135.23 1ujr s PRO 107 Ca 0.51 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.23 1ujr s PRO 107 Cb -0.22 -4.03 0.07 0.00 0.04 0.00 0.00 34.50 30.36 1ujr s PRO 107 CO 0.28 -1.58 1.20 -1.54 0.04 0.00 0.00 177.00 175.40 1ujr s SER 108 N 3.95 6.34 0.69 6.66 1.04 -1.26 -5.00 113.70 126.11 1ujr s SER 108 Ca 0.61 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 1ujr s SER 108 Cb -0.13 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1ujr s SER 108 CO 0.33 -1.49 1.06 -0.44 0.98 0.00 0.00 173.24 173.68 1ujr s SER 109 N 4.01 5.48 0.00 7.02 0.01 -1.26 -5.33 113.70 123.63 1ujr s SER 109 Ca 0.34 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1ujr s SER 109 Cb -0.08 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ujr s SER 109 CO 0.02 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.91