#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 3.33 -0.22 0.03 1.00 -1.26 -5.01 119.30 117.16 1uzh s MET 2 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 55.69 55.27 1uzh s MET 2 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 34.83 31.74 1uzh s MET 2 CO 0.00 0.69 0.11 0.08 0.00 0.00 0.00 175.02 175.90 1uzh s VAL 3 N -1.22 4.94 -0.12 -6.03 1.01 -1.26 -4.83 120.40 112.88 1uzh s VAL 3 Ca 0.23 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1uzh s VAL 3 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1uzh s VAL 3 CO 0.14 0.38 1.34 0.86 0.00 0.00 0.00 175.10 177.83 1uzh s TRP 4 N 0.94 2.71 0.08 5.22 -0.11 -1.26 -0.53 118.94 125.99 1uzh s TRP 4 Ca 0.05 0.85 -0.30 0.00 1.22 0.00 0.00 56.10 57.93 1uzh s TRP 4 Cb -0.14 -3.59 -0.05 0.00 -1.50 0.00 0.00 33.47 28.19 1uzh s TRP 4 CO 0.03 -2.14 1.09 -0.08 -4.62 0.00 0.00 176.95 171.23 1uzh s THR 5 N 3.41 4.26 -1.18 5.86 -1.32 0.28 -4.90 115.64 122.04 1uzh s THR 5 Ca 0.59 1.72 0.29 0.00 -1.21 0.00 0.00 61.69 63.09 1uzh s THR 5 Cb -0.25 -4.10 0.36 0.00 -1.51 0.00 0.00 72.50 67.00 1uzh s THR 5 CO 0.19 0.19 1.98 -0.81 -2.21 0.00 0.00 174.62 173.96 1uzh n PRO 6 N 3.41 0.18 -3.38 7.08 -0.04 -1.26 -4.71 135.00 136.27 1uzh n PRO 6 Ca 0.06 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.14 1uzh n PRO 6 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.82 5.21 -1.17 0.52 1.01 -1.26 -4.40 120.40 117.48 1uzh s VAL 7 Ca 0.20 0.76 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 1uzh s VAL 7 Cb 0.19 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1uzh s VAL 7 CO 0.50 0.28 0.37 0.59 0.00 0.00 0.00 175.10 176.84 1uzh n ASN 8 N 4.19 -1.91 -1.83 3.32 3.02 -1.26 -4.87 115.26 115.93 1uzh n ASN 8 Ca -0.08 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.20 1uzh n ASN 8 Cb 0.51 -1.38 0.06 0.00 -0.61 0.00 0.00 39.78 38.36 1uzh n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1uzh n ASN 9 N -2.01 3.61 -4.76 6.41 4.05 -1.07 -2.61 115.26 118.87 1uzh n ASN 9 Ca -0.17 -3.45 -0.37 0.00 0.45 0.00 0.00 54.58 51.04 1uzh n ASN 9 Cb 0.53 -0.40 0.02 0.00 1.23 0.00 0.00 39.78 41.17 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 -3.39 3.37 0.33 1.20 -0.14 -0.33 -4.83 119.74 115.95 1uzh s LYS 10 Ca 0.44 1.95 0.07 0.00 -1.36 0.00 0.00 55.97 57.07 1uzh s LYS 10 Cb 0.39 -2.25 -0.07 0.00 -1.68 0.00 0.00 37.83 34.22 1uzh s LYS 10 CO -0.00 -0.92 -0.03 -1.64 -0.76 0.00 0.00 175.35 171.99 1uzh s MET 11 N -2.91 1.73 -0.31 1.68 -1.94 -1.26 -4.65 119.30 111.64 1uzh s MET 11 Ca 0.69 -1.92 0.18 0.00 -1.71 0.00 0.00 55.69 52.94 1uzh s MET 11 Cb -0.33 -1.35 0.47 0.00 2.01 0.00 0.00 34.83 35.62 1uzh s MET 11 CO 0.39 0.00 1.04 1.19 -0.01 0.00 0.00 175.02 177.63 1uzh n PHE 12 N -0.74 0.79 -4.88 -0.03 3.01 -1.26 -5.08 117.46 109.27 1uzh n PHE 12 Ca -0.05 -2.52 0.00 0.00 1.01 0.00 0.00 57.45 55.89 1uzh n PHE 12 Cb 0.65 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.29 0.00 -1.67 -1.08 -0.58 -1.26 -4.65 120.64 111.12 1uzh n GLU 13 Ca 0.07 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.30 1uzh n GLU 13 Cb 0.82 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.24 -0.66 2.62 -1.04 -1.26 -1.55 114.28 112.63 1uzh n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1uzh n THR 14 Cb 0.00 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 4.64 0.00 0.35 -1.42 0.99 -1.26 -4.59 117.46 116.17 1uzh n PHE 15 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.78 1uzh n PHE 15 Cb 0.24 0.00 0.53 0.00 -1.00 0.00 0.00 39.48 39.24 1uzh n PHE 15 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1uzh h SER 16 N 0.00 0.00 0.02 4.37 0.02 -1.57 -2.21 113.55 114.18 1uzh h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uzh h SER 16 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1uzh h SER 16 CO 0.00 0.00 -0.07 -1.22 -1.14 0.00 0.00 176.83 174.40 1uzh n TYR 17 N -2.31 0.00 -2.79 3.45 4.02 -1.26 -4.90 117.16 113.37 1uzh n TYR 17 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 1uzh n TYR 17 Cb 0.20 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.53 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 -2.11 3.43 0.70 7.72 1.43 -0.83 -5.08 118.68 123.95 1uzh s LEU 18 Ca 0.33 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1uzh s LEU 18 Cb 0.20 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1uzh s LEU 18 CO 0.37 -0.98 1.26 -2.84 0.23 0.00 0.00 176.35 174.39 1uzh s PRO 19 N -4.59 2.24 0.37 1.29 0.02 -1.26 -4.90 135.00 128.17 1uzh s PRO 19 Ca 0.56 1.95 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 1uzh s PRO 19 Cb -0.10 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 1uzh s PRO 19 CO 0.36 -1.81 1.07 -2.30 -0.33 0.00 0.00 177.00 174.00 1uzh n PRO 20 N -2.40 1.52 -2.29 5.54 -0.02 -1.26 -4.87 135.00 131.22 1uzh n PRO 20 Ca 0.15 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1uzh n PRO 20 Cb 0.49 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.42 4.35 0.80 2.45 1.43 -1.26 -5.03 118.68 121.01 1uzh s LEU 21 Ca 0.60 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 1uzh s LEU 21 Cb -0.59 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.12 1uzh s LEU 21 CO 0.59 -0.59 1.09 0.42 0.23 0.00 0.00 176.35 178.09 1uzh s THR 22 N 1.44 3.11 0.29 5.49 -4.23 -1.26 -4.81 115.64 115.66 1uzh s THR 22 Ca 0.62 0.36 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1uzh s THR 22 Cb -0.32 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 70.74 1uzh s THR 22 CO 0.28 -0.47 1.78 0.44 -0.54 0.00 0.00 174.62 176.11 1uzh h ASP 23 N -1.12 0.73 -0.32 3.99 3.32 -1.99 0.03 116.42 121.05 1uzh h ASP 23 Ca -0.47 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.55 1uzh h ASP 23 Cb 1.26 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1uzh h ASP 23 CO 0.58 0.28 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.08 1uzh h GLU 24 N 0.75 0.81 -0.40 3.56 4.81 -1.99 -0.58 114.58 121.54 1uzh h GLU 24 Ca 0.54 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1uzh h GLU 24 Cb 0.78 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1uzh h GLU 24 CO -0.37 0.95 -0.09 1.96 -0.73 0.00 0.00 179.01 180.74 1uzh h GLN 25 N 0.70 0.77 -0.24 1.92 4.20 -1.68 -1.17 115.11 119.61 1uzh h GLN 25 Ca 0.10 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1uzh h GLN 25 Cb 0.74 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1uzh h GLN 25 CO 0.06 0.90 0.15 0.82 -0.67 0.00 0.00 178.83 180.09 1uzh h ILE 26 N 0.58 1.08 -0.93 2.54 2.04 -0.93 -2.21 117.51 119.67 1uzh h ILE 26 Ca 0.10 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1uzh h ILE 26 Cb 0.61 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1uzh h ILE 26 CO 0.04 0.08 0.60 0.00 0.00 0.00 0.00 178.15 178.87 1uzh h ALA 27 N 1.06 1.50 -0.52 1.87 0.00 -0.98 -1.13 119.26 121.06 1uzh h ALA 27 Ca 0.09 -0.02 -0.08 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 17.49 1uzh h ALA 27 CO -0.02 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.60 1uzh h ALA 28 N 1.50 1.03 -0.68 0.00 0.00 -0.95 -0.85 119.26 119.32 1uzh h ALA 28 Ca 0.41 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uzh h ALA 28 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1uzh h ALA 28 CO -0.16 0.60 0.16 1.96 0.00 0.00 0.00 179.25 181.82 1uzh h GLN 29 N 0.82 1.08 -0.62 0.00 1.08 -0.63 -1.80 115.11 115.04 1uzh h GLN 29 Ca 0.16 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1uzh h GLN 29 Cb 0.47 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1uzh h GLN 29 CO 0.02 0.95 0.19 0.28 -0.95 0.00 0.00 178.83 179.32 1uzh h VAL 30 N 1.02 1.25 -0.96 -0.54 2.07 -0.98 -2.18 116.25 115.93 1uzh h VAL 30 Ca 0.21 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1uzh h VAL 30 Cb 0.36 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1uzh h VAL 30 CO 0.00 0.32 0.63 0.44 0.02 0.00 0.00 177.57 178.98 1uzh h ASP 31 N 0.90 1.02 -0.50 0.57 3.32 -0.90 -1.48 116.42 119.34 1uzh h ASP 31 Ca 0.20 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1uzh h ASP 31 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1uzh h ASP 31 CO -0.01 0.69 0.31 0.22 -1.72 0.00 0.00 179.24 178.73 1uzh h TYR 32 N 1.18 0.66 0.08 4.55 3.20 -0.90 0.11 116.97 125.85 1uzh h TYR 32 Ca 0.39 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1uzh h TYR 32 Cb 0.06 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1uzh h TYR 32 CO -0.00 0.46 -0.15 0.82 -1.64 0.00 0.00 178.16 177.65 1uzh h ILE 33 N 0.68 0.66 -0.51 1.81 2.04 -0.77 -2.39 117.51 119.03 1uzh h ILE 33 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1uzh h ILE 33 Cb -0.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1uzh h ILE 33 CO -0.03 0.00 0.27 0.58 0.00 0.00 0.00 178.15 178.96 1uzh h VAL 34 N -0.29 1.18 0.00 1.67 2.07 -1.13 -2.11 116.25 117.65 1uzh h VAL 34 Ca 0.02 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1uzh h VAL 34 Cb 0.31 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1uzh h VAL 34 CO -0.08 0.20 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 1uzh h ALA 35 N 1.11 1.66 -0.02 1.67 0.00 -0.65 -2.35 119.26 120.68 1uzh h ALA 35 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1uzh h ALA 35 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uzh h ALA 35 CO -0.03 0.07 -0.29 0.09 0.00 0.00 0.00 179.25 179.10 1uzh n ASN 36 N -4.11 1.99 -0.23 0.00 3.02 -0.91 -4.97 115.26 110.06 1uzh n ASN 36 Ca -0.03 -1.50 -0.03 0.00 -0.03 0.00 0.00 54.58 53.00 1uzh n ASN 36 Cb 0.14 0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.37 0.61 3.89 7.41 0.00 -0.84 -5.03 105.19 112.60 1uzh n GLY 37 Ca 0.12 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.08 3.40 -0.37 1.61 0.51 -0.92 -4.99 118.94 116.09 1uzh s TRP 38 Ca 0.00 0.97 -0.18 0.00 -2.12 0.00 0.00 56.10 54.77 1uzh s TRP 38 Cb 0.00 -2.83 0.00 0.00 -0.81 0.00 0.00 33.47 29.84 1uzh s TRP 38 CO 0.00 -0.89 0.53 0.42 -0.51 0.00 0.00 176.95 176.50 1uzh s ILE 39 N -3.16 4.99 0.47 2.03 1.01 0.42 -4.74 121.20 122.22 1uzh s ILE 39 Ca 0.55 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 61.24 1uzh s ILE 39 Cb -0.11 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1uzh s ILE 39 CO 0.50 -0.29 1.12 -2.84 0.00 0.00 0.00 174.94 173.42 1uzh s PRO 40 N 2.45 3.74 -0.05 2.79 0.02 -1.26 -0.10 135.00 142.59 1uzh s PRO 40 Ca 0.19 1.64 -0.24 0.00 0.02 0.00 0.00 61.00 62.61 1uzh s PRO 40 Cb -0.15 -2.29 0.05 0.00 0.02 0.00 0.00 34.50 32.12 1uzh s PRO 40 CO 0.14 -0.53 0.52 0.00 -0.33 0.00 0.00 177.00 176.80 1uzh s LEU 42 N -1.14 2.95 0.06 0.00 1.43 -1.26 -0.94 118.68 119.78 1uzh s LEU 42 Ca -0.11 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1uzh s LEU 42 Cb -0.02 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1uzh s LEU 42 CO 0.07 0.30 -0.08 -1.61 0.23 0.00 0.00 176.35 175.25 1uzh s GLU 43 N -1.24 0.63 0.09 1.70 2.02 -0.78 -0.41 118.70 120.71 1uzh s GLU 43 Ca 0.15 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 1uzh s GLU 43 Cb -0.11 -0.35 -0.00 0.00 0.10 0.00 0.00 34.13 33.77 1uzh s GLU 43 CO 0.05 0.06 0.19 -0.59 0.02 0.00 0.00 175.26 174.98 1uzh s PHE 44 N -1.82 0.16 -0.05 1.61 -0.12 0.13 -0.82 117.98 117.07 1uzh s PHE 44 Ca -0.04 -0.59 -0.29 0.00 -0.05 0.00 0.00 56.93 55.96 1uzh s PHE 44 Cb -0.07 -0.06 0.06 0.00 -0.63 0.00 0.00 43.02 42.32 1uzh s PHE 44 CO -0.00 -0.54 0.63 0.00 -0.05 0.00 0.00 175.22 175.26 1uzh s ALA 45 N -3.86 -1.64 0.14 1.99 0.00 -0.37 -1.31 121.76 116.71 1uzh s ALA 45 Ca 0.05 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1uzh s ALA 45 Cb 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1uzh s ALA 45 CO -0.11 -0.35 1.67 0.93 0.00 0.00 0.00 175.76 177.90 1uzh h GLU 46 N 3.20 0.66 -5.73 0.00 5.08 -1.92 0.16 114.58 116.03 1uzh h GLU 46 Ca -0.27 -0.13 -0.48 0.00 -1.00 0.00 0.00 59.36 57.47 1uzh h GLU 46 Cb 1.15 -0.10 -0.18 0.00 0.50 0.00 0.00 28.75 30.12 1uzh h GLU 46 CO 0.38 0.63 -0.77 -1.01 -1.00 0.00 0.00 179.01 177.24 1uzh s HIS 47 N -5.46 1.67 -0.25 4.33 3.76 -1.26 -4.51 115.29 113.57 1uzh s HIS 47 Ca -0.13 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1uzh s HIS 47 Cb 0.11 -0.84 0.06 0.00 1.11 0.00 0.00 32.58 33.02 1uzh s HIS 47 CO 0.77 0.27 -0.07 0.45 -0.85 0.00 0.00 174.74 175.30 1uzh s SER 48 N -2.64 4.12 -0.05 1.40 0.15 -1.26 -4.97 113.70 110.45 1uzh s SER 48 Ca 0.14 -1.31 0.06 0.00 0.70 0.00 0.00 55.95 55.54 1uzh s SER 48 Cb -0.05 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1uzh s SER 48 CO 0.05 -0.23 -0.23 0.20 1.20 0.00 0.00 173.24 174.23 1uzh s ASN 49 N 1.27 2.83 0.50 5.45 0.01 -1.26 -5.04 114.94 118.70 1uzh s ASN 49 Ca -0.06 -0.46 0.21 0.00 -0.71 0.00 0.00 52.86 51.84 1uzh s ASN 49 Cb -0.19 -0.67 1.28 0.00 0.41 0.00 0.00 41.25 42.08 1uzh s ASN 49 CO -0.06 0.24 2.00 1.55 -1.51 0.00 0.00 177.10 179.32 1uzh h PRO 50 N 5.98 0.11 0.00 -0.60 0.13 -1.99 -0.86 132.00 134.77 1uzh h PRO 50 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1uzh h PRO 50 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uzh h PRO 50 CO 0.47 0.07 0.00 0.93 -0.23 0.00 0.00 178.00 179.25 1uzh h GLU 51 N 0.11 0.00 -5.05 0.86 3.07 -2.04 -3.43 114.58 108.10 1uzh h GLU 51 Ca 0.24 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.42 1uzh h GLU 51 Cb 0.81 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.55 1uzh h GLU 51 CO -0.03 0.00 -0.03 -1.21 -1.40 0.00 0.00 179.01 176.35 1uzh s GLU 52 N -3.44 3.16 -0.02 2.33 0.41 -0.33 -4.97 118.70 115.83 1uzh s GLU 52 Ca 0.04 -0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 53.65 1uzh s GLU 52 Cb 0.09 -4.01 -0.19 0.00 -1.78 0.00 0.00 34.13 28.24 1uzh s GLU 52 CO 0.52 -1.03 1.19 0.74 -0.49 0.00 0.00 175.26 176.20 1uzh h PHE 53 N 8.86 -0.10 -3.05 1.61 0.04 -1.85 -3.46 116.94 119.00 1uzh h PHE 53 Ca -0.26 -0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.89 1uzh h PHE 53 Cb 1.10 0.03 -0.06 0.00 2.20 0.00 0.00 35.95 39.22 1uzh h PHE 53 CO 0.70 0.35 -0.24 0.71 -0.60 0.00 0.00 178.31 179.23 1uzh s TYR 54 N -4.18 3.66 0.30 -0.55 2.02 -1.26 -5.10 117.35 112.24 1uzh s TYR 54 Ca -0.15 0.89 0.04 0.00 -0.37 0.00 0.00 57.07 57.48 1uzh s TYR 54 Cb 0.02 -2.29 0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1uzh s TYR 54 CO 0.62 0.55 0.32 0.91 -1.57 0.00 0.00 175.55 176.38 1uzh n TRP 55 N 2.25 -1.77 -3.50 2.71 7.02 -1.26 -5.09 117.44 117.80 1uzh n TRP 55 Ca -0.14 -1.19 -0.37 0.00 -1.02 0.00 0.00 57.50 54.78 1uzh n TRP 55 Cb 0.52 -0.26 -0.06 0.00 -2.42 0.00 0.00 31.31 29.09 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 -1.20 5.21 0.13 -0.99 2.01 -0.43 -4.89 115.64 115.48 1uzh s THR 56 Ca 0.24 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1uzh s THR 56 Cb -0.02 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 1uzh s THR 56 CO 0.15 0.45 1.19 -0.32 -0.69 0.00 0.00 174.62 175.40 1uzh s MET 57 N -0.08 4.48 -0.42 4.92 1.75 -1.26 -0.69 119.30 128.00 1uzh s MET 57 Ca 0.21 1.82 -0.25 0.00 -1.25 0.00 0.00 55.69 56.21 1uzh s MET 57 Cb -0.14 -3.29 0.02 0.00 2.84 0.00 0.00 34.83 34.26 1uzh s MET 57 CO 0.08 -0.14 0.89 -0.46 -0.65 0.00 0.00 175.02 174.74 1uzh s TRP 58 N 0.41 3.01 0.00 4.11 -0.11 0.45 -4.89 118.94 121.91 1uzh s TRP 58 Ca 0.55 0.52 0.00 0.00 1.22 0.00 0.00 56.10 58.39 1uzh s TRP 58 Cb -0.31 -3.76 0.00 0.00 -1.50 0.00 0.00 33.47 27.90 1uzh s TRP 58 CO 0.33 -0.95 0.00 1.63 -4.62 0.00 0.00 176.95 173.34 1uzh n LYS 59 N 6.90 0.00 -4.24 5.86 5.02 -1.26 -4.49 118.16 125.94 1uzh n LYS 59 Ca 0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 1uzh n LYS 59 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 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 2.52 0.53 -0.35 1.43 -1.26 -5.10 118.68 116.45 1uzh s LEU 60 Ca 0.00 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 51.88 1uzh s LEU 60 Cb 0.00 -0.33 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 1uzh s LEU 60 CO 0.00 -0.33 1.28 -2.65 0.23 0.00 0.00 176.35 174.88 1uzh n PRO 61 N -0.15 1.62 -2.05 1.29 -0.02 -1.26 -4.82 135.00 129.61 1uzh n PRO 61 Ca -0.11 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1uzh n PRO 61 Cb 0.60 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.80 3.68 -1.83 -0.52 2.81 0.65 -4.96 117.12 116.15 1uzh n MET 62 Ca 0.10 -3.21 -0.41 0.00 -1.81 0.00 0.00 57.70 52.37 1uzh n MET 62 Cb 0.44 -2.92 -0.01 0.00 -0.71 0.00 0.00 33.22 30.01 1uzh n MET 62 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1uzh s PHE 63 N 0.77 2.74 0.00 2.03 0.08 -1.26 -1.69 117.98 120.65 1uzh s PHE 63 Ca 0.47 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.48 1uzh s PHE 63 Cb 0.13 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 1uzh s PHE 63 CO -0.04 -3.20 0.00 0.41 -0.10 0.00 0.00 175.22 172.29 1uzh n GLY 64 N 1.55 1.08 3.67 4.36 0.00 -1.26 -4.99 105.19 109.59 1uzh n GLY 64 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 6.18 1.15 -4.01 0.00 1.74 -1.26 -4.91 116.66 115.55 1uzh n ARG 66 Ca 0.15 -2.25 -0.31 0.00 -0.77 0.00 0.00 57.85 54.67 1uzh n ARG 66 Cb 0.43 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.45 4.48 0.46 0.55 -1.08 -1.26 -4.99 116.67 112.38 1uzh s ASP 67 Ca 0.25 -1.71 0.16 0.00 -0.52 0.00 0.00 52.55 50.73 1uzh s ASP 67 Cb 0.22 -1.50 1.13 0.00 -1.46 0.00 0.00 42.92 41.31 1uzh s ASP 67 CO 0.02 -0.29 2.01 1.55 0.52 0.00 0.00 175.17 178.99 1uzh h PRO 68 N 7.74 0.27 -0.46 4.34 0.13 -1.94 -1.49 132.00 140.59 1uzh h PRO 68 Ca -0.12 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 1uzh h PRO 68 Cb 1.03 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1uzh h PRO 68 CO 0.48 0.18 0.06 0.52 -0.23 0.00 0.00 178.00 179.01 1uzh h MET 69 N 0.28 0.72 -0.35 0.86 2.86 -1.99 -0.93 114.93 116.38 1uzh h MET 69 Ca 0.22 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1uzh h MET 69 Cb 0.51 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1uzh h MET 69 CO -0.05 0.69 0.14 0.37 1.06 0.00 0.00 176.91 179.13 1uzh h GLN 70 N 0.69 0.53 -0.31 1.72 4.15 -1.71 -0.30 115.11 119.88 1uzh h GLN 70 Ca 0.15 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1uzh h GLN 70 Cb 0.33 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1uzh h GLN 70 CO 0.01 0.52 0.18 0.28 -1.93 0.00 0.00 178.83 177.89 1uzh h VAL 71 N 0.43 1.12 -0.69 2.39 2.07 -1.29 -1.85 116.25 118.42 1uzh h VAL 71 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1uzh h VAL 71 Cb 0.18 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1uzh h VAL 71 CO -0.01 0.12 0.37 -0.07 0.02 0.00 0.00 177.57 178.00 1uzh h LEU 72 N 0.40 0.86 -0.92 2.57 3.38 -0.99 -1.65 115.31 118.96 1uzh h LEU 72 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1uzh h LEU 72 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1uzh h LEU 72 CO -0.02 0.70 -0.11 0.03 0.09 0.00 0.00 178.44 179.13 1uzh h ARG 73 N 0.97 0.67 -0.42 1.13 3.08 -0.72 -2.27 114.38 116.82 1uzh h ARG 73 Ca 0.25 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1uzh h ARG 73 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1uzh h ARG 73 CO -0.04 0.76 -0.25 0.93 -1.07 0.00 0.00 179.97 180.30 1uzh h GLU 74 N 0.61 0.88 -0.48 0.04 4.39 -0.77 -0.80 114.58 118.45 1uzh h GLU 74 Ca 0.11 -0.38 0.08 0.00 0.34 0.00 0.00 59.36 59.50 1uzh h GLU 74 Cb 0.55 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 1uzh h GLU 74 CO 0.03 1.03 0.11 0.82 -1.16 0.00 0.00 179.01 179.85 1uzh h ILE 75 N 0.75 0.76 -0.29 3.13 2.04 -1.02 0.23 117.51 123.12 1uzh h ILE 75 Ca 0.09 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1uzh h ILE 75 Cb 0.80 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1uzh h ILE 75 CO 0.07 0.05 0.11 0.58 0.00 0.00 0.00 178.15 178.95 1uzh h VAL 76 N 0.26 0.94 -0.40 1.67 2.07 -1.14 -1.31 116.25 118.34 1uzh h VAL 76 Ca 0.23 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 1uzh h VAL 76 Cb 0.29 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1uzh h VAL 76 CO -0.29 0.04 0.02 0.00 0.02 0.00 0.00 177.57 177.36 1uzh h ALA 77 N 1.17 0.54 0.01 1.67 0.00 -0.59 -0.21 119.26 121.85 1uzh h ALA 77 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uzh h ALA 77 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uzh h ALA 77 CO -0.12 0.30 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1uzh h THR 79 N -0.05 1.23 -0.29 0.00 1.35 -1.13 -1.34 112.91 112.67 1uzh h THR 79 Ca -0.00 -1.26 -0.05 0.00 -0.55 0.00 0.00 66.41 64.55 1uzh h THR 79 Cb 0.05 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1uzh h THR 79 CO 0.00 0.36 -0.02 0.50 -0.25 0.00 0.00 175.52 176.11 1uzh h LYS 80 N 0.00 0.52 -0.12 4.72 3.64 -0.86 -2.20 116.57 122.27 1uzh h LYS 80 Ca -0.00 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1uzh h LYS 80 Cb 0.66 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1uzh h LYS 80 CO 0.05 0.68 -0.35 0.00 -2.27 0.00 0.00 179.45 177.56 1uzh h ALA 81 N 0.82 1.20 -2.35 5.00 0.00 -0.95 -3.36 119.26 119.62 1uzh h ALA 81 Ca 0.08 -0.37 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 1uzh h ALA 81 Cb 0.46 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.76 1uzh h ALA 81 CO 0.02 0.54 -0.83 1.19 0.00 0.00 0.00 179.25 180.16 1uzh n PHE 82 N -4.08 1.32 0.46 0.00 3.01 -0.53 -4.95 117.46 112.69 1uzh n PHE 82 Ca -0.01 -3.82 0.13 0.00 1.01 0.00 0.00 57.45 54.76 1uzh n PHE 82 Cb 0.43 -0.32 0.47 0.00 -0.01 0.00 0.00 39.48 40.04 1uzh n PHE 82 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uzh h PRO 83 N 4.68 0.00 -0.14 -1.08 0.13 -1.55 -2.91 132.00 131.13 1uzh h PRO 83 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1uzh h PRO 83 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1uzh h PRO 83 CO 0.59 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 1uzh n ASP 84 N -2.31 2.93 -4.92 1.44 8.00 -1.26 -4.73 116.55 115.70 1uzh n ASP 84 Ca 0.03 -1.90 -0.27 0.00 0.71 0.00 0.00 54.79 53.37 1uzh n ASP 84 Cb 0.31 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.60 3.55 0.20 2.24 0.00 -1.10 -3.90 121.76 121.14 1uzh s ALA 85 Ca 0.28 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1uzh s ALA 85 Cb 0.18 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1uzh s ALA 85 CO 0.27 -0.07 1.26 0.71 0.00 0.00 0.00 175.76 177.93 1uzh s TYR 86 N -2.41 3.33 -0.04 0.00 1.51 0.56 -3.96 117.35 116.34 1uzh s TYR 86 Ca 0.44 1.32 0.02 0.00 -1.01 0.00 0.00 57.07 57.84 1uzh s TYR 86 Cb -0.10 -3.53 0.01 0.00 -0.11 0.00 0.00 41.96 38.24 1uzh s TYR 86 CO 0.37 -1.57 -0.07 0.08 -1.11 0.00 0.00 175.55 173.25 1uzh s VAL 87 N 0.00 0.70 0.06 0.71 1.01 -0.57 -1.23 120.40 121.07 1uzh s VAL 87 Ca 0.55 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1uzh s VAL 87 Cb -0.35 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1uzh s VAL 87 CO 0.38 0.25 -0.20 0.00 0.00 0.00 0.00 175.10 175.53 1uzh s ARG 88 N 0.62 1.26 -0.19 2.72 1.70 -0.00 -0.20 118.95 124.86 1uzh s ARG 88 Ca -0.10 -0.98 -0.13 0.00 -0.47 0.00 0.00 55.73 54.06 1uzh s ARG 88 Cb -0.13 -1.40 -0.05 0.00 -0.57 0.00 0.00 34.95 32.81 1uzh s ARG 88 CO 0.01 0.35 0.27 -1.17 -1.08 0.00 0.00 175.30 173.68 1uzh s LEU 89 N -1.37 4.19 0.29 -1.89 2.96 -0.56 -1.87 118.68 120.43 1uzh s LEU 89 Ca 0.06 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 1uzh s LEU 89 Cb -0.09 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 1uzh s LEU 89 CO 0.02 0.06 -0.02 0.68 -1.32 0.00 0.00 176.35 175.77 1uzh s VAL 90 N 0.80 1.46 0.01 1.68 -7.23 -0.11 -1.75 120.40 115.26 1uzh s VAL 90 Ca 0.14 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1uzh s VAL 90 Cb -0.13 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1uzh s VAL 90 CO 0.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 175.10 174.60 1uzh s ALA 91 N -3.13 0.05 0.03 1.32 0.00 -0.86 -1.00 121.76 118.16 1uzh s ALA 91 Ca 0.31 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1uzh s ALA 91 Cb 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1uzh s ALA 91 CO 0.13 -0.09 -0.11 -0.06 0.00 0.00 0.00 175.76 175.62 1uzh s PHE 92 N -0.83 2.76 -0.28 0.00 0.08 0.86 -0.46 117.98 120.10 1uzh s PHE 92 Ca -0.09 -0.13 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1uzh s PHE 92 Cb -0.06 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1uzh s PHE 92 CO -0.01 0.33 0.05 0.34 -0.10 0.00 0.00 175.22 175.84 1uzh s ASP 93 N -1.50 4.95 0.02 1.36 -1.08 -0.52 -0.44 116.67 119.46 1uzh s ASP 93 Ca 0.17 -0.67 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 1uzh s ASP 93 Cb -0.11 -1.84 1.12 0.00 -1.46 0.00 0.00 42.92 40.63 1uzh s ASP 93 CO 0.07 -0.16 1.86 -0.46 0.52 0.00 0.00 175.17 177.00 1uzh n ASN 94 N 4.84 0.13 -0.01 -0.34 6.94 -1.26 -0.93 115.26 124.62 1uzh n ASN 94 Ca -0.15 0.43 -0.17 0.00 -0.02 0.00 0.00 54.58 54.67 1uzh n ASN 94 Cb 0.48 -0.44 -0.14 0.00 -2.36 0.00 0.00 39.78 37.32 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 0.14 0.00 -3.83 1.08 -1.95 -3.29 115.11 107.26 1uzh h GLN 95 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1uzh h GLN 95 Cb 0.52 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1uzh h GLN 95 CO 0.00 1.10 -0.37 1.63 -0.95 0.00 0.00 178.83 180.24 1uzh n LYS 96 N -4.39 0.08 -3.58 1.46 5.02 -1.25 -4.99 118.16 110.51 1uzh n LYS 96 Ca -0.12 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 1uzh n LYS 96 Cb 0.63 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.69 -1.40 -3.54 1.97 7.27 -0.11 -5.02 117.38 114.85 1uzh n GLN 97 Ca 0.05 0.92 -0.16 0.00 0.07 0.00 0.00 57.00 57.88 1uzh n GLN 97 Cb 0.37 -3.45 -0.06 0.00 2.41 0.00 0.00 30.24 29.51 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 -3.05 0.00 0.14 1.69 0.11 -0.95 -5.02 120.40 113.33 1uzh s VAL 98 Ca 0.06 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.79 1uzh s VAL 98 Cb -0.02 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.73 1uzh s VAL 98 CO 0.85 0.00 1.53 -1.58 -3.33 0.00 0.00 175.10 172.57 1uzh s GLN 99 N -0.98 4.24 -0.00 1.54 0.74 -1.26 -1.44 119.66 122.49 1uzh s GLN 99 Ca -0.08 2.28 0.08 0.00 0.05 0.00 0.00 55.36 57.69 1uzh s GLN 99 Cb -0.01 -3.21 -0.10 0.00 1.10 0.00 0.00 33.01 30.80 1uzh s GLN 99 CO 0.08 -0.57 0.28 1.51 -0.55 0.00 0.00 175.29 176.04 1uzh n ILE 100 N 4.02 0.00 -3.56 -2.34 3.06 0.39 -4.93 119.36 115.99 1uzh n ILE 100 Ca 0.13 -0.27 -0.11 0.00 -2.50 0.00 0.00 62.75 60.00 1uzh n ILE 100 Cb 0.40 0.78 -0.03 0.00 0.54 0.00 0.00 39.64 41.32 1uzh n ILE 100 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1uzh s MET 101 N -2.01 1.23 0.00 9.51 0.23 -1.20 -4.98 119.30 122.08 1uzh s MET 101 Ca 0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 1uzh s MET 101 Cb 0.06 0.53 0.00 0.00 -1.53 0.00 0.00 34.83 33.89 1uzh s MET 101 CO 0.33 -0.52 0.00 0.41 -2.03 0.00 0.00 175.02 173.21 1uzh n GLY 102 N -0.32 1.46 3.47 3.16 0.00 -1.26 -2.04 105.19 109.66 1uzh n GLY 102 Ca -0.15 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1uzh n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uzh s PHE 103 N -1.14 -0.57 0.28 1.61 -0.71 -0.72 -4.38 117.98 112.36 1uzh s PHE 103 Ca 0.00 0.62 -0.29 0.00 -1.04 0.00 0.00 56.93 56.22 1uzh s PHE 103 Cb 0.00 0.50 -0.10 0.00 -1.21 0.00 0.00 43.02 42.21 1uzh s PHE 103 CO 0.00 -0.73 1.32 -1.17 -1.34 0.00 0.00 175.22 173.30 1uzh s LEU 104 N -2.12 4.42 0.00 -1.99 2.96 -1.26 -1.50 118.68 119.19 1uzh s LEU 104 Ca -0.03 2.59 0.03 0.00 -0.22 0.00 0.00 54.13 56.50 1uzh s LEU 104 Cb -0.01 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1uzh s LEU 104 CO -0.04 -0.54 0.29 1.33 -1.32 0.00 0.00 176.35 176.07 1uzh n VAL 105 N 1.56 0.00 -3.65 1.68 0.24 0.72 -4.86 118.33 114.02 1uzh n VAL 105 Ca 0.03 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 1uzh n VAL 105 Cb 0.42 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.97 0.76 0.28 7.34 0.74 -0.97 -4.95 119.66 121.89 1uzh s GLN 106 Ca 0.02 0.72 0.10 0.00 0.05 0.00 0.00 55.36 56.25 1uzh s GLN 106 Cb 0.03 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 1uzh s GLN 106 CO 0.10 -0.12 -0.16 1.03 -0.55 0.00 0.00 175.29 175.59 1uzh s ARG 107 N 0.03 1.63 0.49 1.67 0.52 -1.26 -1.52 118.95 120.51 1uzh s ARG 107 Ca -0.02 -1.77 -0.24 0.00 -0.52 0.00 0.00 55.73 53.18 1uzh s ARG 107 Cb -0.04 -1.59 -0.07 0.00 0.52 0.00 0.00 34.95 33.77 1uzh s ARG 107 CO 0.02 0.25 1.42 -2.14 0.02 0.00 0.00 175.30 174.87 1uzh s PRO 108 N -3.57 3.46 0.28 3.54 0.02 -1.25 -4.79 135.00 132.68 1uzh s PRO 108 Ca 0.29 2.39 0.13 0.00 0.02 0.00 0.00 61.00 63.83 1uzh s PRO 108 Cb -0.02 -2.51 0.32 0.00 0.02 0.00 0.00 34.50 32.31 1uzh s PRO 108 CO 0.13 -0.99 1.57 0.87 -0.33 0.00 0.00 177.00 178.25 1uzh h LYS 109 N 1.98 0.00 0.00 5.54 1.79 -1.85 -3.18 116.57 120.86 1uzh h LYS 109 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1uzh h LYS 109 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1uzh h LYS 109 CO 0.60 0.60 0.00 0.25 -1.08 0.00 0.00 179.45 179.82 1uzh n THR 110 N -3.58 0.62 -2.36 -0.16 -2.24 -1.26 -4.76 114.28 100.54 1uzh n THR 110 Ca -0.00 0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 1uzh n THR 110 Cb 0.66 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.88 3.58 -0.12 6.98 0.00 -1.20 -4.90 121.76 123.22 1uzh s ALA 111 Ca 0.12 0.65 0.14 0.00 0.00 0.00 0.00 51.96 52.87 1uzh s ALA 111 Cb 0.12 -3.58 0.30 0.00 0.00 0.00 0.00 23.12 19.96 1uzh s ALA 111 CO 0.33 -0.97 1.15 2.89 0.00 0.00 0.00 175.76 179.16 1uzh n ARG 112 N 5.82 1.02 -0.15 0.00 0.00 -1.26 -4.79 116.66 117.30 1uzh n ARG 112 Ca 0.13 -2.48 0.10 0.00 -0.00 0.00 0.00 57.85 55.60 1uzh n ARG 112 Cb 0.45 -1.20 0.29 0.00 -0.00 0.00 0.00 32.46 32.00 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 -0.88 2.34 -4.29 2.89 3.85 -1.26 -4.86 116.55 114.33 1uzh n ASP 113 Ca 0.13 -1.86 -0.16 0.00 -0.71 0.00 0.00 54.79 52.19 1uzh n ASP 113 Cb 0.72 -0.19 -0.10 0.00 -1.35 0.00 0.00 41.12 40.20 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 -1.61 1.46 -0.00 2.11 -0.12 -1.13 -1.19 117.98 117.50 1uzh s PHE 114 Ca 0.34 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1uzh s PHE 114 Cb 0.18 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 1uzh s PHE 114 CO 0.26 0.16 0.01 -0.65 -0.05 0.00 0.00 175.22 174.95 1uzh s GLN 115 N -3.73 2.81 0.69 1.99 -1.52 -1.07 -4.83 119.66 114.00 1uzh s GLN 115 Ca 0.20 -0.60 -0.17 0.00 -1.95 0.00 0.00 55.36 52.84 1uzh s GLN 115 Cb 0.02 -2.69 0.01 0.00 -0.22 0.00 0.00 33.01 30.12 1uzh s GLN 115 CO 0.04 0.63 1.19 -0.35 -0.25 0.00 0.00 175.29 176.55 1uzh n PRO 116 N 1.36 0.83 -0.29 2.91 -0.04 -1.26 -4.88 135.00 133.63 1uzh n PRO 116 Ca -0.14 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1uzh n PRO 116 Cb 0.53 -2.43 0.26 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.14 1.27 -0.00 0.55 0.00 -1.98 -0.65 119.26 118.58 1uzh h ALA 117 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1uzh h ALA 117 Cb 1.33 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1uzh h ALA 117 CO 0.50 -0.32 0.00 0.27 0.00 0.00 0.00 179.25 179.70 1uzh n ASN 118 N -5.07 0.03 -0.38 0.00 6.94 -1.26 -3.24 115.26 112.28 1uzh n ASN 118 Ca 0.19 -1.15 0.03 0.00 -0.02 0.00 0.00 54.58 53.63 1uzh n ASN 118 Cb 0.58 -0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.90 2.78 0.22 -3.83 4.76 -0.26 -4.63 118.16 116.29 1uzh n LYS 119 Ca 0.20 -1.78 0.10 0.00 -2.87 0.00 0.00 58.31 53.96 1uzh n LYS 119 Cb 0.10 -1.16 0.36 0.00 -1.84 0.00 0.00 35.03 32.49 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 1.22 0.00 -5.07 1.97 3.08 -1.52 -3.45 114.38 110.60 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 0.62 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.47 1uzh h ARG 120 CO 0.00 0.20 -0.76 -1.54 -1.07 0.00 0.00 179.97 176.80 1uzh s SER 121 N -6.16 1.44 0.00 7.04 1.04 -1.26 -0.56 113.70 115.24 1uzh s SER 121 Ca 0.02 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1uzh s SER 121 Cb 0.09 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1uzh s SER 121 CO 0.65 -0.15 0.27 1.33 0.98 0.00 0.00 173.24 176.31