#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 3.40 -0.23 0.03 -1.94 -1.26 -5.01 119.30 114.28 1uzh s MET 2 Ca 0.00 -0.33 -0.09 0.00 -1.71 0.00 0.00 55.69 53.56 1uzh s MET 2 Cb 0.00 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1uzh s MET 2 CO 0.00 0.67 0.11 0.08 -0.01 0.00 0.00 175.02 175.88 1uzh s VAL 3 N -1.30 4.87 -0.05 -6.03 1.01 -1.26 -4.85 120.40 112.78 1uzh s VAL 3 Ca 0.26 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1uzh s VAL 3 Cb -0.13 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1uzh s VAL 3 CO 0.18 0.36 1.44 0.86 0.00 0.00 0.00 175.10 177.94 1uzh s TRP 4 N 1.16 2.61 0.09 5.22 -0.11 -1.26 -0.68 118.94 125.96 1uzh s TRP 4 Ca 0.06 0.69 -0.30 0.00 1.22 0.00 0.00 56.10 57.76 1uzh s TRP 4 Cb -0.14 -3.70 -0.06 0.00 -1.50 0.00 0.00 33.47 28.08 1uzh s TRP 4 CO 0.04 -2.67 1.07 -0.08 -4.62 0.00 0.00 176.95 170.69 1uzh s THR 5 N 3.10 4.29 -1.20 5.86 -1.32 0.35 -4.91 115.64 121.81 1uzh s THR 5 Ca 0.64 1.78 0.28 0.00 -1.21 0.00 0.00 61.69 63.19 1uzh s THR 5 Cb -0.30 -4.14 0.28 0.00 -1.51 0.00 0.00 72.50 66.83 1uzh s THR 5 CO 0.25 0.22 1.83 -0.81 -2.21 0.00 0.00 174.62 173.89 1uzh n PRO 6 N 3.23 0.21 -3.27 7.08 -0.04 -1.26 -4.73 135.00 136.22 1uzh n PRO 6 Ca 0.05 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1uzh n PRO 6 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.83 5.16 -0.85 0.52 1.01 -1.26 -4.47 120.40 117.68 1uzh s VAL 7 Ca 0.19 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1uzh s VAL 7 Cb 0.19 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1uzh s VAL 7 CO 0.54 0.29 0.46 0.59 0.00 0.00 0.00 175.10 176.98 1uzh n ASN 8 N 3.91 -2.72 -1.72 3.32 4.13 -1.26 -4.87 115.26 116.05 1uzh n ASN 8 Ca -0.06 -0.91 -0.07 0.00 1.68 0.00 0.00 54.58 55.22 1uzh n ASN 8 Cb 0.51 -1.09 0.08 0.00 -1.54 0.00 0.00 39.78 37.74 1uzh n ASN 8 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1uzh n ASN 9 N -1.20 2.79 -4.75 6.41 4.05 -1.09 -2.47 115.26 119.00 1uzh n ASN 9 Ca -0.08 -3.19 -0.38 0.00 0.45 0.00 0.00 54.58 51.38 1uzh n ASN 9 Cb 0.39 -0.41 0.03 0.00 1.23 0.00 0.00 39.78 41.02 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 -3.01 3.22 0.32 1.20 -0.14 -0.58 -4.83 119.74 115.92 1uzh s LYS 10 Ca 0.40 2.12 0.08 0.00 -1.36 0.00 0.00 55.97 57.21 1uzh s LYS 10 Cb 0.38 -2.25 -0.06 0.00 -1.68 0.00 0.00 37.83 34.22 1uzh s LYS 10 CO -0.04 -1.09 -0.08 -1.64 -0.76 0.00 0.00 175.35 171.74 1uzh s MET 11 N -2.91 1.71 -0.31 1.68 -1.94 -1.26 -4.67 119.30 111.59 1uzh s MET 11 Ca 0.71 -1.88 0.18 0.00 -1.71 0.00 0.00 55.69 52.99 1uzh s MET 11 Cb -0.38 -1.47 0.47 0.00 2.01 0.00 0.00 34.83 35.46 1uzh s MET 11 CO 0.44 0.09 0.99 1.19 -0.01 0.00 0.00 175.02 177.72 1uzh n PHE 12 N -0.71 1.28 -4.88 -0.03 3.01 -1.26 -5.08 117.46 109.79 1uzh n PHE 12 Ca -0.05 -2.69 0.00 0.00 1.01 0.00 0.00 57.45 55.72 1uzh n PHE 12 Cb 0.63 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 -0.18 0.00 -1.67 -1.08 -0.58 -1.26 -4.66 120.64 111.21 1uzh n GLU 13 Ca 0.10 0.00 -0.49 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 31.63 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 0.32 -0.56 2.62 -1.04 -1.26 -1.57 114.28 112.79 1uzh n THR 14 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 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 5.16 0.00 0.30 -1.42 0.99 -1.26 -4.60 117.46 116.63 1uzh n PHE 15 Ca 0.21 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.82 1uzh n PHE 15 Cb 0.27 0.00 0.76 0.00 -1.00 0.00 0.00 39.48 39.51 1uzh n PHE 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1uzh h SER 16 N 0.00 0.00 -0.02 4.37 0.87 -1.58 -2.04 113.55 115.15 1uzh h SER 16 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1uzh h SER 16 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1uzh h SER 16 CO 0.00 0.00 -0.03 -1.22 -0.53 0.00 0.00 176.83 175.05 1uzh n TYR 17 N -2.72 0.00 -2.80 2.24 4.02 -1.26 -4.90 117.16 111.75 1uzh n TYR 17 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1uzh n TYR 17 Cb 0.17 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.04 3.43 0.72 7.72 1.43 -0.77 -5.08 118.68 124.09 1uzh s LEU 18 Ca 0.31 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1uzh s LEU 18 Cb 0.20 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.62 1uzh s LEU 18 CO 0.33 -0.98 1.21 -2.65 0.23 0.00 0.00 176.35 174.50 1uzh n PRO 19 N -2.16 0.67 -1.67 1.29 -0.02 -1.26 -4.90 135.00 126.95 1uzh n PRO 19 Ca 0.07 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1uzh n PRO 19 Cb 0.59 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.40 1.97 -2.22 0.52 -0.02 -1.26 -4.88 135.00 126.70 1uzh n PRO 20 Ca 0.15 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 1uzh n PRO 20 Cb 0.49 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.61 4.40 0.78 2.45 1.43 -1.26 -5.02 118.68 120.85 1uzh s LEU 21 Ca 0.58 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 1uzh s LEU 21 Cb -0.60 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.08 1uzh s LEU 21 CO 0.60 -0.56 1.11 0.42 0.23 0.00 0.00 176.35 178.15 1uzh s THR 22 N 0.57 2.91 0.27 5.49 -4.23 -1.26 -4.84 115.64 114.55 1uzh s THR 22 Ca 0.60 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1uzh s THR 22 Cb -0.36 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.57 1uzh s THR 22 CO 0.34 -0.39 1.80 0.44 -0.54 0.00 0.00 174.62 176.28 1uzh h ASP 23 N -0.99 0.74 -0.30 3.99 3.32 -1.99 -0.08 116.42 121.10 1uzh h ASP 23 Ca -0.47 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 1uzh h ASP 23 Cb 1.28 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1uzh h ASP 23 CO 0.62 0.37 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.41 1uzh h GLU 24 N 0.82 0.66 -0.19 3.56 4.81 -1.99 -0.72 114.58 121.53 1uzh h GLU 24 Ca 0.47 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.35 1uzh h GLU 24 Cb 0.53 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1uzh h GLU 24 CO -0.30 0.69 -0.59 1.96 -0.73 0.00 0.00 179.01 180.04 1uzh h GLN 25 N 0.62 0.74 -0.44 1.92 4.20 -1.59 -0.91 115.11 119.65 1uzh h GLN 25 Ca 0.12 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1uzh h GLN 25 Cb 0.41 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1uzh h GLN 25 CO 0.02 1.16 0.24 0.82 -0.67 0.00 0.00 178.83 180.40 1uzh h ILE 26 N 0.46 1.16 -0.78 2.54 2.04 -0.96 -2.02 117.51 119.94 1uzh h ILE 26 Ca -0.02 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1uzh h ILE 26 Cb 1.22 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1uzh h ILE 26 CO 0.13 0.17 0.46 0.00 0.00 0.00 0.00 178.15 178.90 1uzh h ALA 27 N 1.09 1.33 -0.55 1.87 0.00 -1.03 -1.76 119.26 120.21 1uzh h ALA 27 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1uzh h ALA 27 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1uzh h ALA 27 CO -0.03 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.95 1uzh h ALA 28 N 1.42 1.25 -0.61 0.00 0.00 -0.85 -1.05 119.26 119.43 1uzh h ALA 28 Ca 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1uzh h ALA 28 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uzh h ALA 28 CO -0.05 0.53 0.06 1.96 0.00 0.00 0.00 179.25 181.75 1uzh h GLN 29 N 0.80 1.02 -0.65 0.00 1.08 -0.63 -2.14 115.11 114.59 1uzh h GLN 29 Ca 0.18 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1uzh h GLN 29 Cb 0.26 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1uzh h GLN 29 CO -0.01 0.97 0.16 0.28 -0.95 0.00 0.00 178.83 179.28 1uzh h VAL 30 N 0.95 1.26 -0.94 -0.54 2.07 -0.97 -1.66 116.25 116.41 1uzh h VAL 30 Ca 0.18 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1uzh h VAL 30 Cb 0.47 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1uzh h VAL 30 CO 0.02 0.36 0.61 0.44 0.02 0.00 0.00 177.57 179.02 1uzh h ASP 31 N 0.97 1.09 -0.24 0.57 3.32 -1.03 -1.68 116.42 119.42 1uzh h ASP 31 Ca 0.20 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1uzh h ASP 31 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1uzh h ASP 31 CO 0.00 0.80 0.11 0.22 -1.72 0.00 0.00 179.24 178.65 1uzh h TYR 32 N 1.28 0.20 -0.10 4.55 3.20 -0.75 0.21 116.97 125.56 1uzh h TYR 32 Ca 0.34 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.26 1uzh h TYR 32 Cb -0.13 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1uzh h TYR 32 CO 0.00 0.11 -0.16 0.82 -1.64 0.00 0.00 178.16 177.29 1uzh h ILE 33 N 0.24 0.58 -0.40 1.81 2.04 -0.79 -2.57 117.51 118.41 1uzh h ILE 33 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1uzh h ILE 33 Cb 0.04 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1uzh h ILE 33 CO -0.08 0.00 0.18 0.58 0.00 0.00 0.00 178.15 178.83 1uzh h VAL 34 N -0.22 1.19 0.00 1.67 2.07 -1.09 -2.26 116.25 117.61 1uzh h VAL 34 Ca 0.09 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1uzh h VAL 34 Cb 0.34 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1uzh h VAL 34 CO -0.23 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.54 1uzh h ALA 35 N 1.02 1.60 -0.03 1.67 0.00 -0.42 -2.23 119.26 120.88 1uzh h ALA 35 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uzh h ALA 35 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uzh h ALA 35 CO -0.01 0.02 -0.13 0.09 0.00 0.00 0.00 179.25 179.22 1uzh n ASN 36 N -3.98 2.70 -0.51 0.00 3.02 -0.98 -4.97 115.26 110.54 1uzh n ASN 36 Ca -0.03 -1.85 -0.06 0.00 -0.03 0.00 0.00 54.58 52.61 1uzh n ASN 36 Cb 0.10 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.34 0.70 3.91 7.41 0.00 -0.84 -5.03 105.19 112.68 1uzh n GLY 37 Ca 0.12 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.24 3.36 -0.39 1.61 0.51 -0.91 -4.98 118.94 115.89 1uzh s TRP 38 Ca 0.00 0.78 -0.17 0.00 -2.12 0.00 0.00 56.10 54.59 1uzh s TRP 38 Cb 0.00 -2.68 0.01 0.00 -0.81 0.00 0.00 33.47 29.99 1uzh s TRP 38 CO 0.00 -0.74 0.46 0.42 -0.51 0.00 0.00 176.95 176.58 1uzh s ILE 39 N -3.00 5.07 0.45 2.03 1.01 0.22 -4.73 121.20 122.25 1uzh s ILE 39 Ca 0.53 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1uzh s ILE 39 Cb -0.11 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1uzh s ILE 39 CO 0.47 -0.32 1.09 -2.84 0.00 0.00 0.00 174.94 173.34 1uzh s PRO 40 N 2.23 3.87 -0.07 2.79 0.02 -1.26 -0.49 135.00 142.09 1uzh s PRO 40 Ca 0.14 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 62.49 1uzh s PRO 40 Cb -0.16 -2.34 0.05 0.00 0.02 0.00 0.00 34.50 32.07 1uzh s PRO 40 CO 0.14 -0.41 0.54 0.00 -0.33 0.00 0.00 177.00 176.93 1uzh s LEU 42 N -0.99 2.97 0.04 0.00 1.43 -1.26 -0.66 118.68 120.21 1uzh s LEU 42 Ca -0.10 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1uzh s LEU 42 Cb -0.02 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1uzh s LEU 42 CO 0.07 0.29 -0.06 -1.61 0.23 0.00 0.00 176.35 175.27 1uzh s GLU 43 N -1.28 0.51 0.07 1.70 2.02 -0.71 -0.57 118.70 120.44 1uzh s GLU 43 Ca 0.15 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.23 1uzh s GLU 43 Cb -0.11 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 33.98 1uzh s GLU 43 CO 0.06 0.01 0.23 -0.59 0.02 0.00 0.00 175.26 174.98 1uzh s PHE 44 N -1.81 0.04 -0.01 1.61 -0.12 -0.16 -0.71 117.98 116.82 1uzh s PHE 44 Ca -0.08 -0.35 -0.24 0.00 -0.05 0.00 0.00 56.93 56.21 1uzh s PHE 44 Cb -0.07 0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1uzh s PHE 44 CO -0.01 -0.52 0.54 0.00 -0.05 0.00 0.00 175.22 175.17 1uzh s ALA 45 N -3.26 -1.38 0.15 1.99 0.00 -0.50 -1.06 121.76 117.70 1uzh s ALA 45 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 1uzh s ALA 45 Cb 0.02 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1uzh s ALA 45 CO -0.08 -0.39 1.64 0.93 0.00 0.00 0.00 175.76 177.87 1uzh h GLU 46 N 3.15 0.79 -5.34 0.00 5.08 -1.92 0.99 114.58 117.32 1uzh h GLU 46 Ca -0.29 -0.21 -0.40 0.00 -1.00 0.00 0.00 59.36 57.46 1uzh h GLU 46 Cb 1.17 -0.10 -0.19 0.00 0.50 0.00 0.00 28.75 30.14 1uzh h GLU 46 CO 0.40 0.79 -0.76 -1.01 -1.00 0.00 0.00 179.01 177.43 1uzh s HIS 47 N -5.23 1.31 -0.24 4.33 3.76 -1.26 -4.54 115.29 113.42 1uzh s HIS 47 Ca -0.13 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 1uzh s HIS 47 Cb 0.11 -0.70 0.06 0.00 1.11 0.00 0.00 32.58 33.16 1uzh s HIS 47 CO 0.80 0.10 -0.09 0.45 -0.85 0.00 0.00 174.74 175.15 1uzh s SER 48 N -2.29 4.10 -0.04 1.40 0.15 -1.26 -4.98 113.70 110.77 1uzh s SER 48 Ca 0.06 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.53 1uzh s SER 48 Cb -0.06 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1uzh s SER 48 CO 0.02 -0.19 -0.24 0.20 1.20 0.00 0.00 173.24 174.23 1uzh s ASN 49 N 1.24 2.85 0.46 5.45 0.01 -1.26 -5.04 114.94 118.65 1uzh s ASN 49 Ca -0.07 -0.46 0.16 0.00 -0.71 0.00 0.00 52.86 51.79 1uzh s ASN 49 Cb -0.19 -0.59 1.12 0.00 0.41 0.00 0.00 41.25 42.00 1uzh s ASN 49 CO -0.06 0.26 1.98 1.55 -1.51 0.00 0.00 177.10 179.32 1uzh h PRO 50 N 5.87 0.30 0.00 -0.60 0.13 -1.99 -1.63 132.00 134.08 1uzh h PRO 50 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1uzh h PRO 50 Cb 1.15 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1uzh h PRO 50 CO 0.47 0.20 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 1uzh h GLU 51 N 0.31 0.00 -5.08 0.86 3.07 -2.04 -3.43 114.58 108.26 1uzh h GLU 51 Ca 0.27 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.46 1uzh h GLU 51 Cb 0.65 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.39 1uzh h GLU 51 CO -0.06 0.00 0.11 -1.21 -1.40 0.00 0.00 179.01 176.45 1uzh s GLU 52 N -3.67 3.15 0.01 2.33 0.41 -0.61 -4.97 118.70 115.36 1uzh s GLU 52 Ca 0.01 -0.81 -0.25 0.00 -0.41 0.00 0.00 54.97 53.51 1uzh s GLU 52 Cb 0.09 -4.09 -0.18 0.00 -1.78 0.00 0.00 34.13 28.17 1uzh s GLU 52 CO 0.54 -1.25 1.37 0.74 -0.49 0.00 0.00 175.26 176.17 1uzh h PHE 53 N 9.03 -0.09 -2.95 1.61 0.04 -1.85 -3.45 116.94 119.28 1uzh h PHE 53 Ca -0.27 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.87 1uzh h PHE 53 Cb 1.09 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 1uzh h PHE 53 CO 0.77 0.24 -0.33 0.71 -0.60 0.00 0.00 178.31 179.11 1uzh s TYR 54 N -4.81 3.62 0.53 -0.55 2.02 -1.26 -5.10 117.35 111.80 1uzh s TYR 54 Ca -0.15 0.74 0.06 0.00 -0.37 0.00 0.00 57.07 57.35 1uzh s TYR 54 Cb 0.03 -2.18 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1uzh s TYR 54 CO 0.64 0.58 0.51 0.91 -1.57 0.00 0.00 175.55 176.62 1uzh n TRP 55 N 2.28 -1.19 -3.28 2.71 7.02 -1.26 -5.09 117.44 118.63 1uzh n TRP 55 Ca -0.16 -2.14 -0.38 0.00 -1.02 0.00 0.00 57.50 53.80 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 -2.53 5.11 0.15 -0.99 2.01 -0.22 -4.88 115.64 114.29 1uzh s THR 56 Ca 0.39 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 1uzh s THR 56 Cb -0.03 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 1uzh s THR 56 CO 0.25 0.36 1.26 -0.32 -0.69 0.00 0.00 174.62 175.48 1uzh s MET 57 N 0.33 4.42 -0.45 4.92 1.75 -1.26 -0.99 119.30 128.02 1uzh s MET 57 Ca 0.28 1.94 -0.27 0.00 -1.25 0.00 0.00 55.69 56.39 1uzh s MET 57 Cb -0.16 -3.25 0.03 0.00 2.84 0.00 0.00 34.83 34.29 1uzh s MET 57 CO 0.13 -0.23 1.02 -0.46 -0.65 0.00 0.00 175.02 174.83 1uzh s TRP 58 N 0.39 2.91 0.00 4.11 -0.11 0.27 -4.89 118.94 121.63 1uzh s TRP 58 Ca 0.57 0.62 0.00 0.00 1.22 0.00 0.00 56.10 58.51 1uzh s TRP 58 Cb -0.34 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 27.53 1uzh s TRP 58 CO 0.35 -1.11 0.00 1.63 -4.62 0.00 0.00 176.95 173.19 1uzh n LYS 59 N 7.37 0.00 -4.30 5.86 5.02 -1.26 -4.54 118.16 126.31 1uzh n LYS 59 Ca 0.09 0.00 -0.16 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 2.53 0.42 -0.35 1.43 -1.26 -5.10 118.68 116.34 1uzh s LEU 60 Ca 0.00 -1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 51.82 1uzh s LEU 60 Cb 0.00 -0.51 -0.10 0.00 0.03 0.00 0.00 46.19 45.61 1uzh s LEU 60 CO 0.00 -0.26 1.23 -2.65 0.23 0.00 0.00 176.35 174.90 1uzh n PRO 61 N -0.30 1.83 -1.91 1.29 -0.02 -1.26 -4.82 135.00 129.81 1uzh n PRO 61 Ca -0.09 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1uzh n PRO 61 Cb 0.61 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.08 3.32 -1.88 -0.52 2.81 0.46 -4.96 117.12 116.42 1uzh n MET 62 Ca 0.07 -2.93 -0.41 0.00 -1.81 0.00 0.00 57.70 52.62 1uzh n MET 62 Cb 0.39 -3.07 -0.01 0.00 -0.71 0.00 0.00 33.22 29.82 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 1.84 2.79 0.00 2.03 0.08 -1.26 -1.81 117.98 121.65 1uzh s PHE 63 Ca 0.47 1.05 0.00 0.00 0.12 0.00 0.00 56.93 58.57 1uzh s PHE 63 Cb 0.13 -3.95 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1uzh s PHE 63 CO -0.05 -2.97 0.00 0.41 -0.10 0.00 0.00 175.22 172.51 1uzh n GLY 64 N 1.40 0.70 3.67 4.36 0.00 -1.26 -4.99 105.19 109.07 1uzh n GLY 64 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 6.53 1.50 -4.04 0.00 1.74 -1.26 -4.91 116.66 116.22 1uzh n ARG 66 Ca 0.15 -2.29 -0.31 0.00 -0.77 0.00 0.00 57.85 54.63 1uzh n ARG 66 Cb 0.43 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.43 4.59 0.47 0.55 -1.08 -1.26 -4.99 116.67 112.52 1uzh s ASP 67 Ca 0.24 -1.77 0.16 0.00 -0.52 0.00 0.00 52.55 50.67 1uzh s ASP 67 Cb 0.21 -1.58 1.14 0.00 -1.46 0.00 0.00 42.92 41.24 1uzh s ASP 67 CO 0.02 -0.28 2.02 1.55 0.52 0.00 0.00 175.17 179.00 1uzh h PRO 68 N 7.70 0.25 -0.55 4.34 0.13 -1.94 -1.68 132.00 140.25 1uzh h PRO 68 Ca -0.12 -0.01 -0.06 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 0.49 0.16 0.09 0.52 -0.23 0.00 0.00 178.00 179.03 1uzh h MET 69 N 0.26 0.87 -0.15 0.86 2.86 -1.99 -1.17 114.93 116.47 1uzh h MET 69 Ca 0.21 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1uzh h MET 69 Cb 0.49 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1uzh h MET 69 CO -0.04 0.81 0.09 0.37 1.06 0.00 0.00 176.91 179.20 1uzh h GLN 70 N 0.82 0.19 -0.23 1.72 4.15 -1.74 -0.31 115.11 119.72 1uzh h GLN 70 Ca 0.17 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.61 1uzh h GLN 70 Cb 0.36 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1uzh h GLN 70 CO 0.01 0.14 0.05 0.28 -1.93 0.00 0.00 178.83 177.38 1uzh h VAL 71 N 0.19 0.91 -1.00 2.39 2.07 -1.35 -1.55 116.25 117.91 1uzh h VAL 71 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1uzh h VAL 71 Cb -0.01 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1uzh h VAL 71 CO -0.01 0.03 0.65 -0.07 0.02 0.00 0.00 177.57 178.19 1uzh h LEU 72 N 0.15 1.15 -1.17 2.57 3.38 -1.03 -1.36 115.31 119.00 1uzh h LEU 72 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1uzh h LEU 72 Cb 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1uzh h LEU 72 CO -0.13 0.84 0.07 0.03 0.09 0.00 0.00 178.44 179.34 1uzh h ARG 73 N 1.36 0.64 -0.12 1.13 3.08 -0.72 -2.28 114.38 117.47 1uzh h ARG 73 Ca 0.36 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 1uzh h ARG 73 Cb -0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1uzh h ARG 73 CO -0.08 0.61 -0.52 0.93 -1.07 0.00 0.00 179.97 179.85 1uzh h GLU 74 N 0.62 0.32 -0.56 0.04 4.39 -0.49 -1.27 114.58 117.64 1uzh h GLU 74 Ca 0.14 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.69 1uzh h GLU 74 Cb 0.29 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1uzh h GLU 74 CO 0.00 0.76 0.31 0.82 -1.16 0.00 0.00 179.01 179.75 1uzh h ILE 75 N 0.25 1.00 -0.09 3.13 2.04 -0.92 0.97 117.51 123.89 1uzh h ILE 75 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1uzh h ILE 75 Cb 1.00 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1uzh h ILE 75 CO 0.08 0.11 0.04 0.58 0.00 0.00 0.00 178.15 178.96 1uzh h VAL 76 N 0.60 1.14 -0.53 1.67 2.07 -1.15 -1.41 116.25 118.64 1uzh h VAL 76 Ca 0.24 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1uzh h VAL 76 Cb 0.11 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1uzh h VAL 76 CO -0.14 0.12 0.23 0.00 0.02 0.00 0.00 177.57 177.80 1uzh h ALA 77 N 0.89 0.68 0.25 1.67 0.00 -1.00 -0.42 119.26 121.33 1uzh h ALA 77 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uzh h ALA 77 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uzh h ALA 77 CO -0.00 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.40 1uzh h THR 79 N -0.41 0.91 -0.29 0.00 1.35 -1.19 -0.28 112.91 113.01 1uzh h THR 79 Ca -0.03 -0.60 -0.08 0.00 -0.55 0.00 0.00 66.41 65.14 1uzh h THR 79 Cb 0.31 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1uzh h THR 79 CO 0.06 0.16 -0.14 0.50 -0.25 0.00 0.00 175.52 175.85 1uzh h LYS 80 N 0.00 0.60 0.00 4.72 3.64 -0.83 -2.25 116.57 122.45 1uzh h LYS 80 Ca -0.00 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1uzh h LYS 80 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1uzh h LYS 80 CO 0.02 0.83 -0.56 0.00 -2.27 0.00 0.00 179.45 177.47 1uzh h ALA 81 N 0.75 0.99 -2.32 5.00 0.00 -0.72 -3.36 119.26 119.61 1uzh h ALA 81 Ca 0.06 -0.51 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 1uzh h ALA 81 Cb 0.65 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.95 1uzh h ALA 81 CO 0.04 0.70 -0.83 1.19 0.00 0.00 0.00 179.25 180.36 1uzh n PHE 82 N -3.75 1.45 0.44 0.00 3.01 -0.17 -4.95 117.46 113.50 1uzh n PHE 82 Ca -0.01 -3.84 0.12 0.00 1.01 0.00 0.00 57.45 54.73 1uzh n PHE 82 Cb 0.59 -0.35 0.47 0.00 -0.01 0.00 0.00 39.48 40.18 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 1.58 0.19 -0.13 -1.08 -0.04 -0.85 -2.45 135.00 132.22 1uzh n PRO 83 Ca 0.25 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.18 1uzh n PRO 83 Cb 0.45 -1.83 0.15 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.18 2.92 -4.92 3.54 8.00 -1.26 -4.74 116.55 117.91 1uzh n ASP 84 Ca 0.03 -1.85 -0.26 0.00 0.71 0.00 0.00 54.79 53.41 1uzh n ASP 84 Cb 0.25 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.25 3.59 0.18 2.24 0.00 -1.02 -3.95 121.76 121.54 1uzh s ALA 85 Ca 0.28 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1uzh s ALA 85 Cb 0.17 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1uzh s ALA 85 CO 0.23 -0.04 1.23 0.71 0.00 0.00 0.00 175.76 177.89 1uzh s TYR 86 N -2.37 3.38 -0.04 0.00 1.51 0.34 -3.87 117.35 116.30 1uzh s TYR 86 Ca 0.43 1.36 0.01 0.00 -1.01 0.00 0.00 57.07 57.87 1uzh s TYR 86 Cb -0.10 -3.48 0.02 0.00 -0.11 0.00 0.00 41.96 38.29 1uzh s TYR 86 CO 0.37 -1.39 -0.06 0.08 -1.11 0.00 0.00 175.55 173.44 1uzh s VAL 87 N 0.03 0.58 0.07 0.71 1.01 -0.28 -1.42 120.40 121.11 1uzh s VAL 87 Ca 0.54 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1uzh s VAL 87 Cb -0.34 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1uzh s VAL 87 CO 0.37 0.22 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1uzh s ARG 88 N 0.64 1.10 -0.18 2.72 1.70 0.11 -0.13 118.95 124.90 1uzh s ARG 88 Ca -0.09 -1.00 -0.11 0.00 -0.47 0.00 0.00 55.73 54.06 1uzh s ARG 88 Cb -0.12 -1.23 -0.05 0.00 -0.57 0.00 0.00 34.95 32.98 1uzh s ARG 88 CO 0.00 0.30 0.18 -1.17 -1.08 0.00 0.00 175.30 173.53 1uzh s LEU 89 N -1.57 4.23 0.27 -1.89 2.96 -0.36 -1.74 118.68 120.57 1uzh s LEU 89 Ca 0.04 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1uzh s LEU 89 Cb -0.09 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.36 1uzh s LEU 89 CO 0.03 0.16 0.04 0.68 -1.32 0.00 0.00 176.35 175.94 1uzh s VAL 90 N 0.33 0.98 -0.03 1.68 -7.23 0.16 -1.76 120.40 114.54 1uzh s VAL 90 Ca 0.11 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1uzh s VAL 90 Cb -0.12 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.27 1uzh s VAL 90 CO 0.00 -0.15 0.13 0.00 -0.31 0.00 0.00 175.10 174.77 1uzh s ALA 91 N -3.45 -0.31 0.02 1.32 0.00 -0.92 -0.87 121.76 117.55 1uzh s ALA 91 Ca 0.33 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1uzh s ALA 91 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1uzh s ALA 91 CO 0.12 -0.12 -0.04 -0.06 0.00 0.00 0.00 175.76 175.66 1uzh s PHE 92 N -0.51 2.95 -0.26 0.00 0.08 0.36 -0.40 117.98 120.20 1uzh s PHE 92 Ca -0.06 -0.00 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 1uzh s PHE 92 Cb -0.04 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1uzh s PHE 92 CO 0.01 0.42 0.04 0.34 -0.10 0.00 0.00 175.22 175.93 1uzh s ASP 93 N -1.60 4.91 0.07 1.36 -1.08 -0.40 -0.61 116.67 119.32 1uzh s ASP 93 Ca 0.19 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 1uzh s ASP 93 Cb -0.11 -1.85 0.80 0.00 -1.46 0.00 0.00 42.92 40.30 1uzh s ASP 93 CO 0.10 -0.10 1.66 -0.46 0.52 0.00 0.00 175.17 176.89 1uzh n ASN 94 N 4.86 0.43 -0.05 -0.34 6.94 -1.26 -0.82 115.26 125.03 1uzh n ASN 94 Ca -0.16 0.27 -0.15 0.00 -0.02 0.00 0.00 54.58 54.53 1uzh n ASN 94 Cb 0.50 -0.27 -0.13 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.05 -0.00 -3.83 1.08 -1.96 -3.25 115.11 107.21 1uzh h GLN 95 Ca 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1uzh h GLN 95 Cb 0.60 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1uzh h GLN 95 CO 0.00 0.96 -0.16 1.63 -0.95 0.00 0.00 178.83 180.31 1uzh n LYS 96 N -4.58 0.11 -3.77 1.46 5.02 -1.24 -4.98 118.16 110.17 1uzh n LYS 96 Ca -0.10 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.87 1uzh n LYS 96 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.42 -1.14 -3.55 1.97 7.27 0.00 -5.01 117.38 115.49 1uzh n GLN 97 Ca 0.08 0.62 -0.14 0.00 0.07 0.00 0.00 57.00 57.63 1uzh n GLN 97 Cb 0.33 -2.97 -0.05 0.00 2.41 0.00 0.00 30.24 29.96 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 -3.19 0.03 0.10 1.69 0.11 -0.90 -5.02 120.40 113.22 1uzh s VAL 98 Ca 0.19 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.71 1uzh s VAL 98 Cb -0.09 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.69 1uzh s VAL 98 CO 0.90 -0.12 1.27 -1.58 -3.33 0.00 0.00 175.10 172.23 1uzh s GLN 99 N -2.69 4.40 -0.00 1.54 0.74 -1.26 -1.27 119.66 121.11 1uzh s GLN 99 Ca -0.04 1.90 0.08 0.00 0.05 0.00 0.00 55.36 57.36 1uzh s GLN 99 Cb -0.00 -3.29 -0.10 0.00 1.10 0.00 0.00 33.01 30.72 1uzh s GLN 99 CO -0.04 -0.30 0.32 1.51 -0.55 0.00 0.00 175.29 176.24 1uzh n ILE 100 N 3.70 0.00 -3.58 -2.34 3.06 0.46 -4.92 119.36 115.75 1uzh n ILE 100 Ca 0.09 -0.29 -0.10 0.00 -2.50 0.00 0.00 62.75 59.95 1uzh n ILE 100 Cb 0.45 0.89 -0.02 0.00 0.54 0.00 0.00 39.64 41.49 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 -1.91 1.40 0.00 9.51 0.23 -1.20 -4.98 119.30 122.35 1uzh s MET 101 Ca 0.02 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.02 1uzh s MET 101 Cb 0.06 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.94 1uzh s MET 101 CO 0.34 -0.62 0.00 0.41 -2.03 0.00 0.00 175.02 173.13 1uzh n GLY 102 N -0.38 1.82 3.47 3.16 0.00 -1.26 -2.15 105.19 109.84 1uzh n GLY 102 Ca -0.13 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.75 -0.59 0.25 1.61 -0.71 -0.72 -4.38 117.98 112.69 1uzh s PHE 103 Ca 0.00 0.71 -0.30 0.00 -1.04 0.00 0.00 56.93 56.31 1uzh s PHE 103 Cb 0.00 0.48 -0.10 0.00 -1.21 0.00 0.00 43.02 42.19 1uzh s PHE 103 CO 0.00 -0.73 1.33 -1.17 -1.34 0.00 0.00 175.22 173.31 1uzh s LEU 104 N -1.98 4.42 0.00 -1.99 2.96 -1.26 -1.23 118.68 119.59 1uzh s LEU 104 Ca -0.05 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 56.44 1uzh s LEU 104 Cb -0.01 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1uzh s LEU 104 CO -0.02 -0.56 0.18 1.33 -1.32 0.00 0.00 176.35 175.97 1uzh n VAL 105 N 1.97 0.00 -3.69 1.68 0.24 0.82 -4.87 118.33 114.48 1uzh n VAL 105 Ca 0.04 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 1uzh n VAL 105 Cb 0.42 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.31 0.65 0.27 7.34 0.74 -0.95 -4.94 119.66 121.45 1uzh s GLN 106 Ca 0.02 0.75 0.12 0.00 0.05 0.00 0.00 55.36 56.29 1uzh s GLN 106 Cb 0.03 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 1uzh s GLN 106 CO 0.15 -0.08 -0.20 1.03 -0.55 0.00 0.00 175.29 175.64 1uzh s ARG 107 N 0.26 1.63 0.49 1.67 0.52 -1.26 -1.12 118.95 121.15 1uzh s ARG 107 Ca -0.00 -1.74 -0.23 0.00 -0.52 0.00 0.00 55.73 53.23 1uzh s ARG 107 Cb -0.04 -1.70 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 1uzh s ARG 107 CO 0.01 0.32 1.37 -2.14 0.02 0.00 0.00 175.30 174.88 1uzh s PRO 108 N -3.48 3.45 0.32 3.54 0.02 -1.25 -4.79 135.00 132.80 1uzh s PRO 108 Ca 0.29 2.27 0.15 0.00 0.02 0.00 0.00 61.00 63.73 1uzh s PRO 108 Cb -0.05 -2.45 0.44 0.00 0.02 0.00 0.00 34.50 32.45 1uzh s PRO 108 CO 0.14 -0.96 1.62 0.87 -0.33 0.00 0.00 177.00 178.34 1uzh h LYS 109 N 1.91 0.00 0.00 5.54 1.79 -1.85 -3.12 116.57 120.85 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 0.59 0.50 0.00 0.25 -1.08 0.00 0.00 179.45 179.71 1uzh n THR 110 N -3.52 0.35 -2.46 -0.16 -2.24 -1.26 -4.79 114.28 100.20 1uzh n THR 110 Ca -0.00 0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1uzh n THR 110 Cb 0.61 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.65 3.50 -0.10 6.98 0.00 -1.18 -4.90 121.76 123.40 1uzh s ALA 111 Ca 0.19 0.62 0.14 0.00 0.00 0.00 0.00 51.96 52.91 1uzh s ALA 111 Cb 0.15 -3.52 0.27 0.00 0.00 0.00 0.00 23.12 20.02 1uzh s ALA 111 CO 0.35 -0.77 1.13 2.89 0.00 0.00 0.00 175.76 179.36 1uzh n ARG 112 N 5.22 0.91 -0.14 0.00 0.00 -1.26 -4.81 116.66 116.58 1uzh n ARG 112 Ca 0.11 -2.32 0.10 0.00 -0.00 0.00 0.00 57.85 55.74 1uzh n ARG 112 Cb 0.46 -1.13 0.30 0.00 -0.00 0.00 0.00 32.46 32.09 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 -0.82 2.19 -4.28 2.89 3.85 -1.26 -4.87 116.55 114.25 1uzh n ASP 113 Ca 0.12 -1.84 -0.16 0.00 -0.71 0.00 0.00 54.79 52.20 1uzh n ASP 113 Cb 0.72 -0.18 -0.10 0.00 -1.35 0.00 0.00 41.12 40.21 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 -1.64 1.42 -0.03 2.11 -0.12 -1.17 -1.53 117.98 117.02 1uzh s PHE 114 Ca 0.33 -0.68 -0.01 0.00 -0.05 0.00 0.00 56.93 56.52 1uzh s PHE 114 Cb 0.18 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1uzh s PHE 114 CO 0.26 0.18 0.06 -0.65 -0.05 0.00 0.00 175.22 175.01 1uzh s GLN 115 N -3.58 3.02 0.70 1.99 -1.52 -1.03 -4.83 119.66 114.42 1uzh s GLN 115 Ca 0.17 -0.47 -0.16 0.00 -1.95 0.00 0.00 55.36 52.95 1uzh s GLN 115 Cb 0.01 -2.84 0.01 0.00 -0.22 0.00 0.00 33.01 29.98 1uzh s GLN 115 CO 0.03 0.66 1.21 -0.35 -0.25 0.00 0.00 175.29 176.59 1uzh n PRO 116 N 1.46 0.78 -0.29 2.91 -0.04 -1.26 -4.89 135.00 133.67 1uzh n PRO 116 Ca -0.15 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1uzh n PRO 116 Cb 0.53 -2.45 0.27 0.00 -0.04 0.00 0.00 33.50 31.81 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 0.04 1.28 -0.01 0.55 0.00 -1.98 -1.02 119.26 118.12 1uzh h ALA 117 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uzh h ALA 117 Cb 1.33 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1uzh h ALA 117 CO 0.50 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.66 1uzh n ASN 118 N -5.11 0.18 -0.50 0.00 6.94 -1.26 -3.15 115.26 112.36 1uzh n ASN 118 Ca 0.20 -1.16 0.04 0.00 -0.02 0.00 0.00 54.58 53.64 1uzh n ASN 118 Cb 0.61 -0.00 0.12 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 -0.81 2.81 0.21 -3.83 4.76 -0.39 -4.62 118.16 116.30 1uzh n LYS 119 Ca 0.21 -1.90 0.10 0.00 -2.87 0.00 0.00 58.31 53.85 1uzh n LYS 119 Cb 0.13 -1.21 0.31 0.00 -1.84 0.00 0.00 35.03 32.42 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 1.59 0.00 -4.95 1.97 3.08 -1.55 -3.45 114.38 111.06 1uzh h ARG 120 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1uzh h ARG 120 Cb 0.67 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.52 1uzh h ARG 120 CO 0.00 0.19 -0.75 -1.54 -1.07 0.00 0.00 179.97 176.80 1uzh s SER 121 N -6.18 1.33 0.00 7.04 1.04 -1.26 -0.50 113.70 115.17 1uzh s SER 121 Ca 0.03 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1uzh s SER 121 Cb 0.08 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1uzh s SER 121 CO 0.66 -0.19 0.24 1.33 0.98 0.00 0.00 173.24 176.26