#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uzh s MET 2 N 0.00 3.23 -0.23 0.03 -1.94 -1.26 -5.02 119.30 114.11 1uzh s MET 2 Ca 0.00 -0.43 -0.08 0.00 -1.71 0.00 0.00 55.69 53.46 1uzh s MET 2 Cb 0.00 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 1uzh s MET 2 CO 0.00 0.65 0.10 0.08 -0.01 0.00 0.00 175.02 175.83 1uzh s VAL 3 N -1.29 4.74 -0.14 -6.03 1.01 -1.26 -4.85 120.40 112.58 1uzh s VAL 3 Ca 0.26 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1uzh s VAL 3 Cb -0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1uzh s VAL 3 CO 0.18 0.36 1.54 0.86 0.00 0.00 0.00 175.10 178.04 1uzh s TRP 4 N 1.19 2.23 0.14 5.22 -0.11 -1.26 -0.73 118.94 125.62 1uzh s TRP 4 Ca 0.05 0.51 -0.30 0.00 1.22 0.00 0.00 56.10 57.58 1uzh s TRP 4 Cb -0.14 -3.84 -0.07 0.00 -1.50 0.00 0.00 33.47 27.91 1uzh s TRP 4 CO 0.04 -3.01 1.20 -0.08 -4.62 0.00 0.00 176.95 170.49 1uzh s THR 5 N 4.30 3.73 -1.26 5.86 -1.32 0.20 -4.91 115.64 122.24 1uzh s THR 5 Ca 0.68 1.37 0.29 0.00 -1.21 0.00 0.00 61.69 62.82 1uzh s THR 5 Cb -0.27 -3.87 0.39 0.00 -1.51 0.00 0.00 72.50 67.23 1uzh s THR 5 CO 0.26 0.18 1.97 -0.81 -2.21 0.00 0.00 174.62 174.00 1uzh n PRO 6 N 3.06 0.27 -3.50 7.08 -0.04 -1.26 -4.74 135.00 135.87 1uzh n PRO 6 Ca 0.06 -0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 1uzh n PRO 6 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 1uzh n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uzh s VAL 7 N -2.75 5.27 -1.32 0.52 1.01 -1.26 -4.49 120.40 117.38 1uzh s VAL 7 Ca 0.22 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1uzh s VAL 7 Cb 0.20 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1uzh s VAL 7 CO 0.50 0.30 0.48 0.59 0.00 0.00 0.00 175.10 176.96 1uzh n ASN 8 N 4.31 -2.32 -2.14 3.32 5.03 -1.26 -4.87 115.26 117.33 1uzh n ASN 8 Ca -0.11 -1.19 -0.08 0.00 0.87 0.00 0.00 54.58 54.06 1uzh n ASN 8 Cb 0.51 -2.21 0.05 0.00 -1.02 0.00 0.00 39.78 37.12 1uzh n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uzh n ASN 9 N -2.59 2.83 -4.76 6.41 4.05 -0.99 -2.49 115.26 117.72 1uzh n ASN 9 Ca -0.20 -2.89 -0.38 0.00 0.45 0.00 0.00 54.58 51.57 1uzh n ASN 9 Cb 0.63 -0.41 0.02 0.00 1.23 0.00 0.00 39.78 41.24 1uzh n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uzh s LYS 10 N -3.26 3.41 0.28 1.20 -0.14 -0.56 -4.83 119.74 115.83 1uzh s LYS 10 Ca 0.38 1.98 0.09 0.00 -1.36 0.00 0.00 55.97 57.07 1uzh s LYS 10 Cb 0.37 -2.29 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1uzh s LYS 10 CO -0.03 -0.90 -0.13 -1.64 -0.76 0.00 0.00 175.35 171.90 1uzh s MET 11 N -2.85 1.60 -0.32 1.68 -1.94 -1.26 -4.66 119.30 111.55 1uzh s MET 11 Ca 0.68 -1.77 0.18 0.00 -1.71 0.00 0.00 55.69 53.07 1uzh s MET 11 Cb -0.34 -1.45 0.47 0.00 2.01 0.00 0.00 34.83 35.51 1uzh s MET 11 CO 0.40 0.18 1.01 1.19 -0.01 0.00 0.00 175.02 177.79 1uzh n PHE 12 N -0.60 1.43 -4.74 -0.03 3.01 -1.26 -5.07 117.46 110.20 1uzh n PHE 12 Ca -0.06 -2.66 0.00 0.00 1.01 0.00 0.00 57.45 55.74 1uzh n PHE 12 Cb 0.62 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1uzh n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uzh n GLU 13 N -0.24 0.00 -1.68 -1.08 -0.58 -1.26 -4.66 120.64 111.14 1uzh n GLU 13 Ca 0.12 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.36 1uzh n GLU 13 Cb 0.81 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.62 1uzh n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uzh n THR 14 N 0.00 0.39 -0.42 2.62 -1.04 -1.26 -1.46 114.28 113.11 1uzh n THR 14 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1uzh n THR 14 Cb 0.00 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1uzh n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uzh n PHE 15 N 5.57 0.00 0.38 -1.42 0.99 -1.26 -4.62 117.46 117.10 1uzh n PHE 15 Ca 0.22 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.76 1uzh n PHE 15 Cb 0.26 0.00 0.41 0.00 -1.00 0.00 0.00 39.48 39.14 1uzh n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uzh n SER 16 N 0.00 0.40 -0.69 4.37 3.41 -0.54 -1.44 113.62 119.13 1uzh n SER 16 Ca 0.00 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1uzh n SER 16 Cb 0.00 -0.69 0.34 0.00 -0.26 0.00 0.00 64.21 63.60 1uzh n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uzh n TYR 17 N -1.95 0.03 -2.97 7.33 4.02 -1.26 -4.90 117.16 117.45 1uzh n TYR 17 Ca 0.02 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.72 1uzh n TYR 17 Cb 0.17 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.51 1uzh n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uzh s LEU 18 N -1.96 3.61 0.72 7.72 1.43 -0.52 -5.08 118.68 124.61 1uzh s LEU 18 Ca 0.34 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1uzh s LEU 18 Cb 0.20 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1uzh s LEU 18 CO 0.32 -0.81 1.15 -2.65 0.23 0.00 0.00 176.35 174.59 1uzh n PRO 19 N -1.93 0.61 -1.62 1.29 -0.02 -1.26 -4.90 135.00 127.17 1uzh n PRO 19 Ca 0.07 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1uzh n PRO 19 Cb 0.59 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1uzh n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uzh n PRO 20 N -2.32 1.56 -2.34 0.52 -0.02 -1.26 -4.88 135.00 126.25 1uzh n PRO 20 Ca 0.14 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1uzh n PRO 20 Cb 0.49 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1uzh n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uzh s LEU 21 N -0.25 4.33 0.86 2.45 1.43 -1.26 -5.03 118.68 121.21 1uzh s LEU 21 Ca 0.59 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 1uzh s LEU 21 Cb -0.62 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.14 1uzh s LEU 21 CO 0.60 -0.59 1.09 0.42 0.23 0.00 0.00 176.35 178.10 1uzh s THR 22 N 1.73 2.85 0.26 5.49 -4.23 -1.26 -4.81 115.64 115.65 1uzh s THR 22 Ca 0.60 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 1uzh s THR 22 Cb -0.30 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 70.95 1uzh s THR 22 CO 0.27 -0.36 1.77 0.44 -0.54 0.00 0.00 174.62 176.20 1uzh h ASP 23 N -1.38 0.55 -0.72 3.99 3.32 -1.99 -0.24 116.42 119.95 1uzh h ASP 23 Ca -0.48 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1uzh h ASP 23 Cb 1.27 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1uzh h ASP 23 CO 0.55 0.26 0.23 -0.08 -1.72 0.00 0.00 179.24 178.48 1uzh h GLU 24 N 0.66 1.13 -0.39 3.56 4.81 -1.99 -0.89 114.58 121.47 1uzh h GLU 24 Ca 0.44 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1uzh h GLU 24 Cb 0.56 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1uzh h GLU 24 CO -0.33 0.96 -0.00 1.96 -0.73 0.00 0.00 179.01 180.87 1uzh h GLN 25 N 1.09 0.69 -0.24 1.92 4.20 -1.67 -0.47 115.11 120.62 1uzh h GLN 25 Ca 0.24 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uzh h GLN 25 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1uzh h GLN 25 CO -0.01 0.78 0.15 0.82 -0.67 0.00 0.00 178.83 179.91 1uzh h ILE 26 N 0.51 1.09 -0.88 2.54 2.04 -0.96 -2.09 117.51 119.76 1uzh h ILE 26 Ca 0.11 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1uzh h ILE 26 Cb 0.47 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1uzh h ILE 26 CO 0.02 0.08 0.58 0.00 0.00 0.00 0.00 178.15 178.83 1uzh h ALA 27 N 1.06 1.51 -0.49 1.87 0.00 -0.99 -1.28 119.26 120.93 1uzh h ALA 27 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1uzh h ALA 27 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1uzh h ALA 27 CO -0.02 0.37 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1uzh h ALA 28 N 1.51 1.08 -0.61 0.00 0.00 -0.71 -1.03 119.26 119.51 1uzh h ALA 28 Ca 0.37 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1uzh h ALA 28 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1uzh h ALA 28 CO -0.13 0.58 -0.00 1.96 0.00 0.00 0.00 179.25 181.65 1uzh h GLN 29 N 0.77 1.07 -0.77 0.00 1.08 -0.63 -1.98 115.11 114.64 1uzh h GLN 29 Ca 0.15 -0.34 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 1uzh h GLN 29 Cb 0.45 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1uzh h GLN 29 CO 0.02 1.05 0.29 0.28 -0.95 0.00 0.00 178.83 179.51 1uzh h VAL 30 N 0.98 1.26 -0.89 -0.54 2.07 -0.95 -1.74 116.25 116.43 1uzh h VAL 30 Ca 0.17 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1uzh h VAL 30 Cb 0.57 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1uzh h VAL 30 CO 0.03 0.34 0.55 0.44 0.02 0.00 0.00 177.57 178.95 1uzh h ASP 31 N 1.13 1.07 -0.48 0.57 3.32 -0.95 -1.85 116.42 119.24 1uzh h ASP 31 Ca 0.26 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1uzh h ASP 31 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1uzh h ASP 31 CO -0.02 0.81 0.29 0.22 -1.72 0.00 0.00 179.24 178.82 1uzh h TYR 32 N 1.23 0.63 -0.25 4.55 3.20 -0.84 0.17 116.97 125.65 1uzh h TYR 32 Ca 0.32 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.25 1uzh h TYR 32 Cb -0.07 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 1uzh h TYR 32 CO -0.00 0.44 -0.10 0.82 -1.64 0.00 0.00 178.16 177.68 1uzh h ILE 33 N 0.64 0.67 -0.37 1.81 2.04 -0.91 -2.36 117.51 119.03 1uzh h ILE 33 Ca 0.17 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 1uzh h ILE 33 Cb -0.01 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1uzh h ILE 33 CO -0.03 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.75 1uzh h VAL 34 N -0.05 1.24 -0.03 1.67 2.07 -0.99 -2.46 116.25 117.70 1uzh h VAL 34 Ca 0.13 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1uzh h VAL 34 Cb 0.25 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1uzh h VAL 34 CO -0.29 0.30 0.02 0.00 0.02 0.00 0.00 177.57 177.62 1uzh h ALA 35 N 0.90 1.92 -0.03 1.67 0.00 -0.53 -2.17 119.26 121.02 1uzh h ALA 35 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uzh h ALA 35 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uzh h ALA 35 CO 0.01 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1uzh n ASN 36 N -4.36 2.56 -0.99 0.00 3.02 -0.90 -4.97 115.26 109.62 1uzh n ASN 36 Ca -0.02 -1.85 -0.12 0.00 -0.03 0.00 0.00 54.58 52.56 1uzh n ASN 36 Cb 0.12 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 1uzh n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uzh n GLY 37 N 1.30 1.02 3.88 7.41 0.00 -0.82 -5.02 105.19 112.97 1uzh n GLY 37 Ca 0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1uzh n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uzh s TRP 38 N -2.47 3.57 -0.37 1.61 0.51 -0.97 -4.98 118.94 115.84 1uzh s TRP 38 Ca 0.00 1.11 -0.18 0.00 -2.12 0.00 0.00 56.10 54.90 1uzh s TRP 38 Cb 0.00 -2.62 0.00 0.00 -0.81 0.00 0.00 33.47 30.04 1uzh s TRP 38 CO 0.00 -0.61 0.53 0.42 -0.51 0.00 0.00 176.95 176.78 1uzh s ILE 39 N -3.06 4.99 0.41 2.03 1.01 0.43 -4.74 121.20 122.27 1uzh s ILE 39 Ca 0.53 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 1uzh s ILE 39 Cb -0.11 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1uzh s ILE 39 CO 0.51 -0.30 1.10 -2.84 0.00 0.00 0.00 174.94 173.41 1uzh s PRO 40 N 2.44 4.04 -0.05 2.79 0.02 -1.26 -0.17 135.00 142.82 1uzh s PRO 40 Ca 0.19 1.64 -0.19 0.00 0.02 0.00 0.00 61.00 62.66 1uzh s PRO 40 Cb -0.15 -2.53 0.04 0.00 0.02 0.00 0.00 34.50 31.87 1uzh s PRO 40 CO 0.14 -0.28 0.42 0.00 -0.33 0.00 0.00 177.00 176.96 1uzh s LEU 42 N -1.03 3.25 0.04 0.00 1.43 -1.26 -0.62 118.68 120.48 1uzh s LEU 42 Ca -0.11 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1uzh s LEU 42 Cb -0.04 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1uzh s LEU 42 CO 0.05 0.27 -0.05 -1.61 0.23 0.00 0.00 176.35 175.23 1uzh s GLU 43 N -1.56 0.49 0.06 1.70 2.02 -0.71 -0.89 118.70 119.81 1uzh s GLU 43 Ca 0.18 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1uzh s GLU 43 Cb -0.11 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1uzh s GLU 43 CO 0.09 -0.01 0.21 -0.59 0.02 0.00 0.00 175.26 174.98 1uzh s PHE 44 N -1.90 0.06 -0.02 1.61 -0.12 0.21 -0.79 117.98 117.03 1uzh s PHE 44 Ca -0.08 -0.36 -0.26 0.00 -0.05 0.00 0.00 56.93 56.18 1uzh s PHE 44 Cb -0.07 -0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.36 1uzh s PHE 44 CO -0.02 -0.50 0.57 0.00 -0.05 0.00 0.00 175.22 175.22 1uzh s ALA 45 N -3.14 -1.46 0.13 1.99 0.00 -0.44 -1.20 121.76 117.63 1uzh s ALA 45 Ca -0.01 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1uzh s ALA 45 Cb 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1uzh s ALA 45 CO -0.07 -0.37 1.64 0.93 0.00 0.00 0.00 175.76 177.89 1uzh h GLU 46 N 3.16 0.63 -5.58 0.00 5.08 -1.92 0.14 114.58 116.08 1uzh h GLU 46 Ca -0.28 -0.14 -0.45 0.00 -1.00 0.00 0.00 59.36 57.49 1uzh h GLU 46 Cb 1.16 -0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.13 1uzh h GLU 46 CO 0.40 0.64 -0.77 -1.01 -1.00 0.00 0.00 179.01 177.26 1uzh s HIS 47 N -5.36 1.49 -0.24 4.33 3.76 -1.26 -4.53 115.29 113.47 1uzh s HIS 47 Ca -0.13 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1uzh s HIS 47 Cb 0.10 -0.78 0.06 0.00 1.11 0.00 0.00 32.58 33.07 1uzh s HIS 47 CO 0.76 0.17 -0.08 0.45 -0.85 0.00 0.00 174.74 175.20 1uzh s SER 48 N -2.33 4.09 -0.05 1.40 0.15 -1.26 -4.98 113.70 110.72 1uzh s SER 48 Ca 0.08 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.53 1uzh s SER 48 Cb -0.06 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1uzh s SER 48 CO 0.04 -0.22 -0.25 0.20 1.20 0.00 0.00 173.24 174.21 1uzh s ASN 49 N 1.28 3.01 0.46 5.45 0.01 -1.26 -5.04 114.94 118.85 1uzh s ASN 49 Ca -0.07 -0.50 0.20 0.00 -0.71 0.00 0.00 52.86 51.78 1uzh s ASN 49 Cb -0.19 -0.74 1.17 0.00 0.41 0.00 0.00 41.25 41.90 1uzh s ASN 49 CO -0.06 0.25 1.93 1.55 -1.51 0.00 0.00 177.10 179.26 1uzh h PRO 50 N 5.97 0.27 0.00 -0.60 0.13 -1.99 -1.19 132.00 134.60 1uzh h PRO 50 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1uzh h PRO 50 Cb 1.17 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1uzh h PRO 50 CO 0.47 0.18 0.00 0.93 -0.23 0.00 0.00 178.00 179.35 1uzh h GLU 51 N 0.28 0.00 -4.86 0.86 3.07 -2.04 -3.43 114.58 108.46 1uzh h GLU 51 Ca 0.36 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.52 1uzh h GLU 51 Cb 0.99 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.72 1uzh h GLU 51 CO -0.09 0.00 -0.05 -1.21 -1.40 0.00 0.00 179.01 176.26 1uzh s GLU 52 N -3.53 3.10 0.00 2.33 0.41 -0.45 -4.97 118.70 115.59 1uzh s GLU 52 Ca 0.03 -0.93 -0.25 0.00 -0.41 0.00 0.00 54.97 53.41 1uzh s GLU 52 Cb 0.09 -4.08 -0.18 0.00 -1.78 0.00 0.00 34.13 28.18 1uzh s GLU 52 CO 0.51 -1.12 1.30 0.74 -0.49 0.00 0.00 175.26 176.20 1uzh h PHE 53 N 8.91 -0.13 -2.92 1.61 0.04 -1.85 -3.45 116.94 119.15 1uzh h PHE 53 Ca -0.27 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.86 1uzh h PHE 53 Cb 1.10 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.23 1uzh h PHE 53 CO 0.71 0.24 -0.32 0.71 -0.60 0.00 0.00 178.31 179.05 1uzh s TYR 54 N -4.61 3.65 0.54 -0.55 2.02 -1.26 -5.09 117.35 112.03 1uzh s TYR 54 Ca -0.15 0.78 0.06 0.00 -0.37 0.00 0.00 57.07 57.39 1uzh s TYR 54 Cb 0.02 -2.17 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1uzh s TYR 54 CO 0.62 0.62 0.51 0.91 -1.57 0.00 0.00 175.55 176.64 1uzh n TRP 55 N 2.12 -1.14 -3.22 2.71 7.02 -1.26 -5.09 117.44 118.58 1uzh n TRP 55 Ca -0.16 -2.17 -0.39 0.00 -1.02 0.00 0.00 57.50 53.77 1uzh n TRP 55 Cb 0.53 -0.46 -0.06 0.00 -2.42 0.00 0.00 31.31 28.91 1uzh n TRP 55 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uzh s THR 56 N -2.56 5.00 0.09 -0.99 2.01 -0.34 -4.88 115.64 113.97 1uzh s THR 56 Ca 0.39 1.20 -0.31 0.00 0.31 0.00 0.00 61.69 63.28 1uzh s THR 56 Cb -0.03 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1uzh s THR 56 CO 0.25 0.38 1.23 -0.32 -0.69 0.00 0.00 174.62 175.46 1uzh s MET 57 N 0.10 4.43 -0.48 4.92 1.75 -1.26 -0.62 119.30 128.14 1uzh s MET 57 Ca 0.31 1.84 -0.27 0.00 -1.25 0.00 0.00 55.69 56.31 1uzh s MET 57 Cb -0.17 -3.31 0.03 0.00 2.84 0.00 0.00 34.83 34.22 1uzh s MET 57 CO 0.16 -0.25 1.03 -0.46 -0.65 0.00 0.00 175.02 174.85 1uzh s TRP 58 N 0.84 2.86 0.00 4.11 -0.11 -0.07 -4.88 118.94 121.68 1uzh s TRP 58 Ca 0.58 0.52 0.00 0.00 1.22 0.00 0.00 56.10 58.43 1uzh s TRP 58 Cb -0.31 -4.22 0.00 0.00 -1.50 0.00 0.00 33.47 27.44 1uzh s TRP 58 CO 0.31 -1.21 0.00 1.63 -4.62 0.00 0.00 176.95 173.06 1uzh n LYS 59 N 7.54 0.00 -4.28 5.86 5.02 -1.26 -4.52 118.16 126.52 1uzh n LYS 59 Ca 0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1uzh n LYS 59 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 1uzh n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uzh s LEU 60 N 0.00 2.54 0.53 -0.35 1.43 -1.26 -5.10 118.68 116.47 1uzh s LEU 60 Ca 0.00 -1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 51.86 1uzh s LEU 60 Cb 0.00 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 1uzh s LEU 60 CO 0.00 -0.29 1.36 -2.65 0.23 0.00 0.00 176.35 175.00 1uzh n PRO 61 N -0.25 1.77 -2.02 1.29 -0.02 -1.26 -4.82 135.00 129.68 1uzh n PRO 61 Ca -0.10 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1uzh n PRO 61 Cb 0.61 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1uzh n PRO 61 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uzh n MET 62 N -0.87 3.77 -1.66 -0.52 2.81 0.32 -4.96 117.12 116.01 1uzh n MET 62 Ca 0.10 -3.20 -0.46 0.00 -1.81 0.00 0.00 57.70 52.32 1uzh n MET 62 Cb 0.44 -2.89 -0.04 0.00 -0.71 0.00 0.00 33.22 30.02 1uzh n MET 62 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1uzh n PHE 63 N 3.62 2.20 -0.89 2.03 3.72 -1.26 -1.64 117.46 125.23 1uzh n PHE 63 Ca 0.52 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 58.25 1uzh n PHE 63 Cb 0.32 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.35 1uzh n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uzh n GLY 64 N 3.14 1.17 3.69 1.37 0.00 -1.26 -4.99 105.19 108.30 1uzh n GLY 64 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1uzh n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uzh n ARG 66 N 5.33 1.43 -3.93 0.00 1.74 -1.26 -4.91 116.66 115.06 1uzh n ARG 66 Ca 0.13 -1.79 -0.33 0.00 -0.77 0.00 0.00 57.85 55.09 1uzh n ARG 66 Cb 0.44 -1.08 -0.14 0.00 -1.02 0.00 0.00 32.46 30.66 1uzh n ARG 66 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uzh s ASP 67 N -1.72 4.88 0.43 0.55 -1.08 -1.26 -4.99 116.67 113.48 1uzh s ASP 67 Ca 0.14 -1.81 0.13 0.00 -0.52 0.00 0.00 52.55 50.49 1uzh s ASP 67 Cb 0.12 -1.69 1.01 0.00 -1.46 0.00 0.00 42.92 40.90 1uzh s ASP 67 CO 0.01 -0.37 1.97 1.55 0.52 0.00 0.00 175.17 178.86 1uzh h PRO 68 N 7.84 0.42 -0.49 4.34 0.13 -1.94 -1.57 132.00 140.73 1uzh h PRO 68 Ca -0.13 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1uzh h PRO 68 Cb 1.04 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1uzh h PRO 68 CO 0.56 0.28 0.14 0.52 -0.23 0.00 0.00 178.00 179.28 1uzh h MET 69 N 0.44 0.73 -0.62 0.86 2.86 -1.99 -1.21 114.93 116.00 1uzh h MET 69 Ca 0.29 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1uzh h MET 69 Cb 0.54 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1uzh h MET 69 CO -0.08 0.65 0.34 0.37 1.06 0.00 0.00 176.91 179.24 1uzh h GLN 70 N 0.72 0.87 -0.34 1.72 4.15 -1.72 -1.30 115.11 119.21 1uzh h GLN 70 Ca 0.16 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1uzh h GLN 70 Cb 0.23 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1uzh h GLN 70 CO -0.01 0.66 0.05 0.28 -1.93 0.00 0.00 178.83 177.88 1uzh h VAL 71 N 0.84 1.24 -0.73 2.39 2.07 -1.22 -2.23 116.25 118.61 1uzh h VAL 71 Ca 0.22 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1uzh h VAL 71 Cb 0.05 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1uzh h VAL 71 CO -0.03 0.28 0.42 -0.07 0.02 0.00 0.00 177.57 178.18 1uzh h LEU 72 N 0.39 0.89 -0.76 2.57 3.38 -1.13 -1.84 115.31 118.81 1uzh h LEU 72 Ca 0.10 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1uzh h LEU 72 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1uzh h LEU 72 CO 0.01 0.70 -0.15 0.03 0.09 0.00 0.00 178.44 179.12 1uzh h ARG 73 N 1.01 0.78 -0.32 1.13 3.08 -1.06 -2.40 114.38 116.60 1uzh h ARG 73 Ca 0.26 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1uzh h ARG 73 Cb -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1uzh h ARG 73 CO -0.05 0.89 -0.30 0.93 -1.07 0.00 0.00 179.97 180.37 1uzh h GLU 74 N 0.70 0.67 -0.45 0.04 4.39 -0.90 -0.48 114.58 118.55 1uzh h GLU 74 Ca 0.11 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.58 1uzh h GLU 74 Cb 0.64 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 1uzh h GLU 74 CO 0.05 0.89 0.10 0.82 -1.16 0.00 0.00 179.01 179.71 1uzh h ILE 75 N 0.57 0.77 -0.54 3.13 2.04 -1.20 0.21 117.51 122.51 1uzh h ILE 75 Ca 0.07 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1uzh h ILE 75 Cb 0.80 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1uzh h ILE 75 CO 0.07 0.04 0.35 0.58 0.00 0.00 0.00 178.15 179.19 1uzh h VAL 76 N 0.24 1.14 -0.26 1.67 2.07 -1.12 -0.81 116.25 119.18 1uzh h VAL 76 Ca 0.22 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1uzh h VAL 76 Cb 0.27 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1uzh h VAL 76 CO -0.28 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 177.29 1uzh h ALA 77 N 1.19 0.37 -0.08 1.67 0.00 -0.64 -0.82 119.26 120.95 1uzh h ALA 77 Ca 0.20 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1uzh h ALA 77 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1uzh h ALA 77 CO -0.04 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.51 1uzh h THR 79 N 0.07 0.95 -0.34 0.00 1.35 -1.13 -1.14 112.91 112.67 1uzh h THR 79 Ca 0.03 -1.25 -0.10 0.00 -0.55 0.00 0.00 66.41 64.55 1uzh h THR 79 Cb 0.01 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1uzh h THR 79 CO -0.03 0.32 -0.17 0.50 -0.25 0.00 0.00 175.52 175.89 1uzh h LYS 80 N 0.00 0.71 -0.16 4.72 3.64 -0.92 -2.26 116.57 122.30 1uzh h LYS 80 Ca -0.00 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 58.94 1uzh h LYS 80 Cb 0.71 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1uzh h LYS 80 CO 0.04 0.92 -0.41 0.00 -2.27 0.00 0.00 179.45 177.73 1uzh h ALA 81 N 0.78 1.00 -2.39 5.00 0.00 -1.03 -3.36 119.26 119.26 1uzh h ALA 81 Ca 0.07 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.97 1uzh h ALA 81 Cb 0.71 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.00 1uzh h ALA 81 CO 0.05 0.62 -0.79 1.19 0.00 0.00 0.00 179.25 180.31 1uzh n PHE 82 N -4.02 1.64 0.46 0.00 3.01 -0.46 -4.96 117.46 113.13 1uzh n PHE 82 Ca -0.02 -3.88 0.10 0.00 1.01 0.00 0.00 57.45 54.67 1uzh n PHE 82 Cb 0.50 -0.36 0.42 0.00 -0.01 0.00 0.00 39.48 40.03 1uzh n PHE 82 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1uzh n PRO 83 N 1.64 0.11 -0.01 -1.08 -0.04 -0.86 -2.70 135.00 132.07 1uzh n PRO 83 Ca 0.25 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 1uzh n PRO 83 Cb 0.44 -1.71 0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1uzh n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1uzh n ASP 84 N -1.92 2.32 -4.91 3.54 8.00 -1.26 -4.75 116.55 117.57 1uzh n ASP 84 Ca 0.03 -1.66 -0.27 0.00 0.71 0.00 0.00 54.79 53.61 1uzh n ASP 84 Cb 0.22 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1uzh n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uzh s ALA 85 N -1.28 3.51 0.21 2.24 0.00 -1.10 -3.84 121.76 121.50 1uzh s ALA 85 Ca 0.18 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1uzh s ALA 85 Cb 0.13 -2.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.74 1uzh s ALA 85 CO 0.19 -0.14 1.20 0.71 0.00 0.00 0.00 175.76 177.72 1uzh s TYR 86 N -2.50 3.40 -0.03 0.00 1.51 0.48 -3.90 117.35 116.31 1uzh s TYR 86 Ca 0.45 1.44 0.01 0.00 -1.01 0.00 0.00 57.07 57.96 1uzh s TYR 86 Cb -0.10 -3.45 0.03 0.00 -0.11 0.00 0.00 41.96 38.33 1uzh s TYR 86 CO 0.39 -1.23 -0.01 0.08 -1.11 0.00 0.00 175.55 173.67 1uzh s VAL 87 N -0.28 0.24 0.08 0.71 1.01 -0.55 -1.32 120.40 120.28 1uzh s VAL 87 Ca 0.52 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.62 1uzh s VAL 87 Cb -0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1uzh s VAL 87 CO 0.39 0.16 -0.23 0.00 0.00 0.00 0.00 175.10 175.42 1uzh s ARG 88 N 0.97 1.38 -0.18 2.72 1.70 0.03 0.21 118.95 125.78 1uzh s ARG 88 Ca -0.10 -1.10 -0.14 0.00 -0.47 0.00 0.00 55.73 53.91 1uzh s ARG 88 Cb -0.14 -1.62 -0.04 0.00 -0.57 0.00 0.00 34.95 32.58 1uzh s ARG 88 CO -0.01 0.40 0.31 -1.17 -1.08 0.00 0.00 175.30 173.75 1uzh s LEU 89 N -1.55 4.20 0.33 -1.89 2.96 -0.30 -1.74 118.68 120.69 1uzh s LEU 89 Ca 0.09 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1uzh s LEU 89 Cb -0.10 -2.39 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 1uzh s LEU 89 CO 0.03 0.04 0.06 0.68 -1.32 0.00 0.00 176.35 175.84 1uzh s VAL 90 N 0.80 1.21 -0.07 1.68 -7.23 0.21 -1.62 120.40 115.37 1uzh s VAL 90 Ca 0.16 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1uzh s VAL 90 Cb -0.14 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1uzh s VAL 90 CO 0.05 0.00 0.23 0.00 -0.31 0.00 0.00 175.10 175.07 1uzh s ALA 91 N -3.27 -0.56 0.01 1.32 0.00 -0.95 -0.47 121.76 117.84 1uzh s ALA 91 Ca 0.36 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.90 1uzh s ALA 91 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1uzh s ALA 91 CO 0.16 -0.13 -0.11 -0.06 0.00 0.00 0.00 175.76 175.62 1uzh s PHE 92 N -0.16 2.78 -0.27 0.00 0.08 0.76 -0.33 117.98 120.85 1uzh s PHE 92 Ca -0.03 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 1uzh s PHE 92 Cb -0.03 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1uzh s PHE 92 CO 0.01 0.32 0.05 0.34 -0.10 0.00 0.00 175.22 175.84 1uzh s ASP 93 N -1.37 4.95 0.02 1.36 -1.08 -0.56 -0.43 116.67 119.56 1uzh s ASP 93 Ca 0.16 -0.51 0.28 0.00 -0.52 0.00 0.00 52.55 51.95 1uzh s ASP 93 Cb -0.11 -1.86 0.98 0.00 -1.46 0.00 0.00 42.92 40.47 1uzh s ASP 93 CO 0.06 -0.11 1.76 -0.46 0.52 0.00 0.00 175.17 176.94 1uzh n ASN 94 N 4.86 0.22 -0.00 -0.34 6.94 -1.26 -0.68 115.26 125.00 1uzh n ASN 94 Ca -0.16 0.29 -0.19 0.00 -0.02 0.00 0.00 54.58 54.50 1uzh n ASN 94 Cb 0.49 -0.29 -0.14 0.00 -2.36 0.00 0.00 39.78 37.49 1uzh n ASN 94 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uzh h GLN 95 N 0.00 0.18 0.00 -3.83 1.08 -1.96 -3.27 115.11 107.32 1uzh h GLN 95 Ca 0.00 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1uzh h GLN 95 Cb 0.53 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1uzh h GLN 95 CO 0.00 1.14 -0.39 1.63 -0.95 0.00 0.00 178.83 180.27 1uzh n LYS 96 N -4.26 0.08 -3.62 1.46 5.02 -1.24 -4.98 118.16 110.61 1uzh n LYS 96 Ca -0.16 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 1uzh n LYS 96 Cb 0.72 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 34.19 1uzh n LYS 96 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uzh n GLN 97 N -1.68 -1.25 -3.58 1.97 7.27 0.15 -5.02 117.38 115.24 1uzh n GLN 97 Ca 0.05 0.74 -0.17 0.00 0.07 0.00 0.00 57.00 57.69 1uzh n GLN 97 Cb 0.36 -3.75 -0.07 0.00 2.41 0.00 0.00 30.24 29.20 1uzh n GLN 97 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uzh s VAL 98 N -3.22 0.01 0.19 1.69 0.11 -0.91 -5.02 120.40 113.26 1uzh s VAL 98 Ca 0.23 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 1uzh s VAL 98 Cb -0.09 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1uzh s VAL 98 CO 0.86 -0.06 1.51 -1.58 -3.33 0.00 0.00 175.10 172.50 1uzh s GLN 99 N -1.24 4.24 -0.00 1.54 0.74 -1.26 -1.50 119.66 122.18 1uzh s GLN 99 Ca -0.12 2.32 0.06 0.00 0.05 0.00 0.00 55.36 57.67 1uzh s GLN 99 Cb -0.01 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.87 1uzh s GLN 99 CO 0.09 -0.53 0.19 1.51 -0.55 0.00 0.00 175.29 176.00 1uzh n ILE 100 N 3.38 0.00 -3.70 -2.34 0.13 0.56 -4.92 119.36 112.46 1uzh n ILE 100 Ca 0.11 -0.25 -0.10 0.00 -1.10 0.00 0.00 62.75 61.41 1uzh n ILE 100 Cb 0.39 0.69 -0.05 0.00 -0.84 0.00 0.00 39.64 39.84 1uzh n ILE 100 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uzh s MET 101 N -1.98 1.16 -0.30 9.51 0.23 -1.19 -4.99 119.30 121.74 1uzh s MET 101 Ca 0.00 -0.81 -0.22 0.00 -1.03 0.00 0.00 55.69 53.63 1uzh s MET 101 Cb 0.04 0.47 0.20 0.00 -1.53 0.00 0.00 34.83 34.01 1uzh s MET 101 CO 0.25 -0.46 1.39 0.20 -2.03 0.00 0.00 175.02 174.37 1uzh s GLY 102 N -2.84 0.49 0.08 3.16 0.00 -1.26 -2.24 107.32 104.70 1uzh s GLY 102 Ca 0.06 3.68 -0.24 0.00 0.00 0.00 0.00 44.72 48.23 1uzh s GLY 102 CO -0.08 2.25 0.57 -0.11 0.00 0.00 0.00 173.10 175.73 1uzh s PHE 103 N 0.39 -0.50 0.24 1.90 -0.71 -0.64 -4.39 117.98 114.27 1uzh s PHE 103 Ca 0.02 0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 56.10 1uzh s PHE 103 Cb -0.04 0.43 -0.10 0.00 -1.21 0.00 0.00 43.02 42.10 1uzh s PHE 103 CO -0.14 -0.72 1.46 -0.51 -1.34 0.00 0.00 175.22 173.97 1uzh s LEU 104 N -2.19 4.38 -0.00 -1.99 1.02 -1.26 -1.15 118.68 117.49 1uzh s LEU 104 Ca -0.03 2.67 0.05 0.00 0.02 0.00 0.00 54.13 56.83 1uzh s LEU 104 Cb -0.00 -3.62 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 1uzh s LEU 104 CO -0.05 -0.72 0.21 1.33 0.02 0.00 0.00 176.35 177.14 1uzh n VAL 105 N 2.54 0.00 -3.70 -1.59 0.24 0.13 -4.87 118.33 111.09 1uzh n VAL 105 Ca 0.08 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1uzh n VAL 105 Cb 0.40 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.65 1uzh n VAL 105 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uzh s GLN 106 N -1.54 0.66 0.21 7.34 0.74 -0.90 -4.95 119.66 121.22 1uzh s GLN 106 Ca 0.02 0.31 0.09 0.00 0.05 0.00 0.00 55.36 55.83 1uzh s GLN 106 Cb 0.04 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 1uzh s GLN 106 CO 0.21 -0.14 -0.17 1.03 -0.55 0.00 0.00 175.29 175.67 1uzh s ARG 107 N -0.49 1.40 0.50 1.67 0.52 -1.26 -1.49 118.95 119.81 1uzh s ARG 107 Ca -0.06 -1.60 -0.23 0.00 -0.52 0.00 0.00 55.73 53.32 1uzh s ARG 107 Cb -0.03 -1.32 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 1uzh s ARG 107 CO 0.03 0.24 1.33 -2.30 0.02 0.00 0.00 175.30 174.62 1uzh n PRO 108 N -0.30 1.83 0.12 3.54 -0.02 -1.25 -4.79 135.00 134.13 1uzh n PRO 108 Ca -0.08 0.66 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1uzh n PRO 108 Cb 0.60 -2.52 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1uzh n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1uzh h LYS 109 N 1.73 0.00 0.00 -0.52 1.79 -1.85 -3.15 116.57 114.57 1uzh h LYS 109 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1uzh h LYS 109 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1uzh h LYS 109 CO 0.58 0.67 0.00 0.25 -1.08 0.00 0.00 179.45 179.87 1uzh n THR 110 N -3.54 0.48 -2.48 -0.16 -2.24 -1.26 -4.78 114.28 100.29 1uzh n THR 110 Ca -0.00 0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 1uzh n THR 110 Cb 0.70 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1uzh n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uzh s ALA 111 N -2.68 3.48 -0.10 6.98 0.00 -1.19 -4.90 121.76 123.35 1uzh s ALA 111 Ca 0.16 0.61 0.14 0.00 0.00 0.00 0.00 51.96 52.87 1uzh s ALA 111 Cb 0.13 -3.50 0.28 0.00 0.00 0.00 0.00 23.12 20.02 1uzh s ALA 111 CO 0.31 -0.73 1.14 2.89 0.00 0.00 0.00 175.76 179.37 1uzh n ARG 112 N 5.12 0.84 -0.13 0.00 0.00 -1.26 -4.81 116.66 116.42 1uzh n ARG 112 Ca 0.11 -2.29 0.11 0.00 -0.00 0.00 0.00 57.85 55.77 1uzh n ARG 112 Cb 0.46 -1.04 0.30 0.00 -0.00 0.00 0.00 32.46 32.19 1uzh n ARG 112 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1uzh n ASP 113 N -0.69 2.31 -4.29 2.89 3.85 -1.26 -4.88 116.55 114.48 1uzh n ASP 113 Ca 0.11 -1.84 -0.17 0.00 -0.71 0.00 0.00 54.79 52.19 1uzh n ASP 113 Cb 0.75 -0.17 -0.10 0.00 -1.35 0.00 0.00 41.12 40.25 1uzh n ASP 113 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1uzh s PHE 114 N -1.66 1.49 -0.02 2.11 -0.12 -1.16 -1.50 117.98 117.13 1uzh s PHE 114 Ca 0.34 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.58 1uzh s PHE 114 Cb 0.19 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 1uzh s PHE 114 CO 0.27 0.22 0.08 -0.65 -0.05 0.00 0.00 175.22 175.09 1uzh s GLN 115 N -3.46 3.09 0.69 1.99 -1.52 -1.04 -4.82 119.66 114.58 1uzh s GLN 115 Ca 0.17 -0.45 -0.17 0.00 -1.95 0.00 0.00 55.36 52.97 1uzh s GLN 115 Cb -0.01 -2.88 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 1uzh s GLN 115 CO 0.04 0.66 1.15 -0.35 -0.25 0.00 0.00 175.29 176.54 1uzh n PRO 116 N 1.34 0.78 -0.29 2.91 -0.04 -1.26 -4.89 135.00 133.54 1uzh n PRO 116 Ca -0.14 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1uzh n PRO 116 Cb 0.53 -2.39 0.28 0.00 -0.04 0.00 0.00 33.50 31.88 1uzh n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uzh h ALA 117 N 0.09 1.30 -0.03 0.55 0.00 -1.98 -1.29 119.26 117.90 1uzh h ALA 117 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uzh h ALA 117 Cb 1.34 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1uzh h ALA 117 CO 0.50 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.63 1uzh n ASN 118 N -5.13 0.46 -0.47 0.00 6.94 -1.26 -3.18 115.26 112.62 1uzh n ASN 118 Ca 0.20 -1.34 0.04 0.00 -0.02 0.00 0.00 54.58 53.46 1uzh n ASN 118 Cb 0.63 -0.02 0.11 0.00 -2.36 0.00 0.00 39.78 38.14 1uzh n ASN 118 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uzh n LYS 119 N -0.55 2.57 0.21 -3.83 4.76 -0.49 -4.64 118.16 116.18 1uzh n LYS 119 Ca 0.18 -1.80 0.09 0.00 -2.87 0.00 0.00 58.31 53.91 1uzh n LYS 119 Cb 0.16 -1.20 0.29 0.00 -1.84 0.00 0.00 35.03 32.44 1uzh n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uzh h ARG 120 N 1.55 0.00 -5.08 1.97 3.08 -1.55 -3.45 114.38 110.90 1uzh h ARG 120 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1uzh h ARG 120 Cb 0.64 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.48 1uzh h ARG 120 CO 0.00 0.21 -0.76 -1.54 -1.07 0.00 0.00 179.97 176.82 1uzh s SER 121 N -6.21 1.44 0.00 7.04 1.04 -1.26 -0.63 113.70 115.13 1uzh s SER 121 Ca 0.03 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1uzh s SER 121 Cb 0.08 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1uzh s SER 121 CO 0.66 -0.15 0.30 1.33 0.98 0.00 0.00 173.24 176.36