#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1r s GLU 9 N 0.00 2.10 0.34 1.97 1.03 -1.26 -4.98 118.70 117.90 1u1r s GLU 9 Ca 0.00 0.35 -0.28 0.00 0.03 0.00 0.00 54.97 55.07 1u1r s GLU 9 Cb 0.00 -1.94 -0.12 0.00 -0.80 0.00 0.00 34.13 31.26 1u1r s GLU 9 CO 0.00 -1.54 1.30 -2.30 -1.33 0.00 0.00 175.26 171.38 1u1r n PRO 10 N -3.33 2.13 -0.25 -4.83 -0.02 -1.26 -4.88 135.00 122.56 1u1r n PRO 10 Ca 0.07 0.75 0.04 0.00 -2.02 0.00 0.00 63.50 62.34 1u1r n PRO 10 Cb 0.59 -2.33 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 1u1r n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u1r h GLU 11 N 2.65 0.46 -0.81 -0.52 4.22 -1.98 -1.24 114.58 117.36 1u1r h GLU 11 Ca -0.46 -0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.06 1u1r h GLU 11 Cb 1.28 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1u1r h GLU 11 CO 0.63 0.30 0.53 0.37 -2.18 0.00 0.00 179.01 178.66 1u1r h GLN 12 N 0.47 0.67 0.00 1.92 5.75 -1.95 -0.51 115.11 121.46 1u1r h GLN 12 Ca 0.39 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1u1r h GLN 12 Cb 0.54 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1u1r h GLN 12 CO -0.37 0.44 -0.12 1.28 -2.65 0.00 0.00 178.83 177.42 1u1r n LEU 13 N -4.52 0.29 -1.14 -2.39 4.77 -0.50 -3.17 117.00 110.35 1u1r n LEU 13 Ca 0.14 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1u1r n LEU 13 Cb 0.38 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.26 1u1r n LEU 13 CO 0.32 -0.02 0.69 0.54 -1.33 0.00 0.00 177.39 177.59 1u1r n ARG 14 N -1.70 2.49 -4.61 3.23 1.74 -0.23 -4.70 116.66 112.89 1u1r n ARG 14 Ca 0.06 -2.25 -0.33 0.00 -0.77 0.00 0.00 57.85 54.56 1u1r n ARG 14 Cb 0.36 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 1u1r n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1r s LYS 15 N -1.57 2.57 -0.03 5.56 2.20 -1.02 -1.05 119.74 126.41 1u1r s LYS 15 Ca 0.37 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.38 1u1r s LYS 15 Cb 0.22 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1u1r s LYS 15 CO 0.32 0.62 -0.25 -0.51 -0.36 0.00 0.00 175.35 175.17 1u1r s LEU 16 N -1.09 2.05 0.01 5.43 1.43 -0.09 -1.84 118.68 124.57 1u1r s LEU 16 Ca 0.14 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 1u1r s LEU 16 Cb -0.11 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1u1r s LEU 16 CO 0.04 0.30 0.58 0.12 0.23 0.00 0.00 176.35 177.62 1u1r s PHE 17 N -0.51 3.70 -0.27 0.29 5.36 0.93 -1.92 117.98 125.57 1u1r s PHE 17 Ca 0.07 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.27 1u1r s PHE 17 Cb -0.11 -2.57 0.06 0.00 -0.34 0.00 0.00 43.02 40.06 1u1r s PHE 17 CO -0.00 0.40 -0.09 0.42 -1.46 0.00 0.00 175.22 174.48 1u1r s ILE 18 N -0.37 2.24 0.34 3.12 -1.09 0.36 -0.13 121.20 125.67 1u1r s ILE 18 Ca 0.30 -1.65 0.07 0.00 -2.23 0.00 0.00 60.65 57.14 1u1r s ILE 18 Cb -0.18 -2.33 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1u1r s ILE 18 CO 0.17 -0.06 0.45 -0.83 -1.23 0.00 0.00 174.94 173.44 1u1r s GLY 19 N 1.10 1.63 -1.05 6.18 0.00 -0.23 -1.30 107.32 113.66 1u1r s GLY 19 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1u1r s GLY 19 CO -0.05 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1u1r n GLY 20 N -1.61 0.09 3.77 0.20 0.00 -0.93 -0.16 105.19 106.54 1u1r n GLY 20 Ca -0.00 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1u1r n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u1r s LEU 21 N -3.30 4.36 0.74 0.99 2.96 -0.40 -4.56 118.68 119.47 1u1r s LEU 21 Ca 0.00 2.61 -0.15 0.00 -0.22 0.00 0.00 54.13 56.38 1u1r s LEU 21 Cb 0.00 -3.75 0.05 0.00 0.50 0.00 0.00 46.19 42.99 1u1r s LEU 21 CO 0.00 -0.60 1.22 -0.55 -1.32 0.00 0.00 176.35 175.10 1u1r s SER 22 N -0.64 4.07 0.55 3.68 0.15 -1.26 -4.63 113.70 115.61 1u1r s SER 22 Ca 0.51 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.77 1u1r s SER 22 Cb -0.38 -2.59 1.48 0.00 -1.71 0.00 0.00 66.02 62.82 1u1r s SER 22 CO 0.50 -2.35 2.18 2.19 1.20 0.00 0.00 173.24 176.96 1u1r h PHE 23 N -0.37 0.00 -0.55 3.44 -5.15 -1.96 -2.45 116.94 109.89 1u1r h PHE 23 Ca -0.48 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.20 1u1r h PHE 23 Cb 1.30 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.42 1u1r h PHE 23 CO 0.46 0.00 0.10 -0.85 -2.00 0.00 0.00 178.31 176.02 1u1r n GLU 24 N -4.27 3.87 -3.24 6.09 0.28 -1.26 -4.67 120.64 117.44 1u1r n GLU 24 Ca -0.02 -3.07 -0.39 0.00 -0.16 0.00 0.00 57.16 53.51 1u1r n GLU 24 Cb 0.11 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 30.79 1u1r n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u1r s THR 25 N -2.90 4.78 0.32 3.84 2.01 -0.92 -5.00 115.64 117.78 1u1r s THR 25 Ca 0.52 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.80 1u1r s THR 25 Cb 0.41 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 1u1r s THR 25 CO 0.13 0.51 0.03 0.28 -0.69 0.00 0.00 174.62 174.88 1u1r s THR 26 N -0.81 1.36 0.29 -0.82 -1.32 -1.26 -4.97 115.64 108.11 1u1r s THR 26 Ca 0.30 -2.02 0.04 0.00 -1.21 0.00 0.00 61.69 58.80 1u1r s THR 26 Cb -0.19 -2.75 0.29 0.00 -1.51 0.00 0.00 72.50 68.34 1u1r s THR 26 CO 0.19 -0.06 1.69 0.44 -2.21 0.00 0.00 174.62 174.66 1u1r h ASP 27 N 2.11 0.30 -0.08 8.08 3.32 -1.91 0.82 116.42 129.07 1u1r h ASP 27 Ca -0.41 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1u1r h ASP 27 Cb 1.24 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 1u1r h ASP 27 CO 0.70 -0.03 0.00 -0.33 -1.72 0.00 0.00 179.24 177.87 1u1r h GLU 28 N 0.37 0.13 -0.19 3.56 4.39 -1.95 -1.16 114.58 119.73 1u1r h GLU 28 Ca 0.57 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 60.11 1u1r h GLU 28 Cb 1.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1u1r h GLU 28 CO -0.55 0.38 -0.39 0.66 -1.16 0.00 0.00 179.01 177.95 1u1r h SER 29 N -0.14 0.44 -0.20 1.42 4.64 -1.72 -0.85 113.55 117.15 1u1r h SER 29 Ca 0.02 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1u1r h SER 29 Cb 0.32 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1u1r h SER 29 CO 0.00 0.79 -0.02 0.25 -0.87 0.00 0.00 176.83 176.99 1u1r h LEU 30 N 0.35 0.35 -0.96 5.97 5.85 -0.86 -2.71 115.31 123.31 1u1r h LEU 30 Ca 0.03 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1u1r h LEU 30 Cb 0.84 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1u1r h LEU 30 CO 0.07 0.60 0.35 -0.09 -0.34 0.00 0.00 178.44 179.03 1u1r h ARG 31 N 0.10 1.10 -0.86 1.25 2.43 -1.09 -2.06 114.38 115.25 1u1r h ARG 31 Ca 0.05 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1u1r h ARG 31 Cb 0.43 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1u1r h ARG 31 CO 0.01 0.86 0.53 1.03 -1.51 0.00 0.00 179.97 180.89 1u1r h SER 32 N 1.09 0.83 0.26 -3.80 0.87 -0.99 -1.17 113.55 110.65 1u1r h SER 32 Ca 0.26 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1u1r h SER 32 Cb 0.13 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1u1r h SER 32 CO -0.03 0.53 -0.13 -0.74 -0.53 0.00 0.00 176.83 175.93 1u1r h HIS 33 N 0.97 -0.33 0.00 2.24 -0.00 -1.12 -3.36 115.15 113.54 1u1r h HIS 33 Ca 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 1u1r h HIS 33 Cb 0.19 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1u1r h HIS 33 CO -0.03 -0.10 0.00 0.74 -0.00 0.00 0.00 177.93 178.54 1u1r h PHE 34 N -1.05 0.00 0.00 5.26 0.04 -1.40 -2.75 116.94 117.03 1u1r h PHE 34 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1u1r h PHE 34 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1u1r h PHE 34 CO 0.03 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.83 1u1r n GLU 35 N -3.01 0.00 0.21 1.51 2.13 -0.44 -2.10 120.64 118.93 1u1r n GLU 35 Ca 0.01 0.30 0.15 0.00 0.66 0.00 0.00 57.16 58.27 1u1r n GLU 35 Cb 0.29 -1.50 0.63 0.00 0.27 0.00 0.00 31.44 31.13 1u1r n GLU 35 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1u1r h GLN 36 N 0.00 0.00 -0.36 5.31 4.20 -1.68 -2.90 115.11 119.68 1u1r h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1r h GLN 36 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1u1r h GLN 36 CO 0.00 0.00 0.00 0.91 -0.67 0.00 0.00 178.83 179.07 1u1r n TRP 37 N -2.70 0.48 0.00 2.96 8.01 -0.89 -5.07 117.44 120.22 1u1r n TRP 37 Ca 0.01 -0.49 0.00 0.00 -1.31 0.00 0.00 57.50 55.71 1u1r n TRP 37 Cb 0.25 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 1u1r n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1r n GLY 38 N 0.56 2.53 3.75 6.99 0.00 -1.09 -4.76 105.19 113.18 1u1r n GLY 38 Ca 0.12 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1u1r n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1r s THR 39 N -1.96 3.09 -0.17 2.61 2.01 -1.26 -4.42 115.64 115.54 1u1r s THR 39 Ca 0.00 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 1u1r s THR 39 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1u1r s THR 39 CO 0.00 0.19 0.06 -0.76 -0.69 0.00 0.00 174.62 173.42 1u1r s LEU 40 N -0.87 3.81 0.00 4.42 1.43 -1.26 -1.54 118.68 124.67 1u1r s LEU 40 Ca 0.52 0.09 0.21 0.00 -1.03 0.00 0.00 54.13 53.93 1u1r s LEU 40 Cb -0.37 -1.95 -0.21 0.00 0.03 0.00 0.00 46.19 43.69 1u1r s LEU 40 CO 0.43 0.19 0.92 0.35 0.23 0.00 0.00 176.35 178.48 1u1r n THR 41 N 3.40 0.00 -3.55 5.49 -2.24 0.78 -4.92 114.28 113.24 1u1r n THR 41 Ca -0.17 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1u1r n THR 41 Cb 0.52 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1u1r n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1r s ASP 42 N -3.00 -0.58 -0.29 3.42 2.15 -1.19 -4.98 116.67 112.20 1u1r s ASP 42 Ca 0.08 0.67 -0.14 0.00 0.43 0.00 0.00 52.55 53.60 1u1r s ASP 42 Cb 0.16 0.53 0.12 0.00 -0.30 0.00 0.00 42.92 43.44 1u1r s ASP 42 CO 0.86 -0.50 0.80 0.00 -0.17 0.00 0.00 175.17 176.16 1u1r s VAL 44 N 2.08 0.00 -0.22 0.00 0.11 0.00 -4.91 120.40 117.46 1u1r s VAL 44 Ca -0.07 -0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 1u1r s VAL 44 Cb -0.07 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1u1r s VAL 44 CO -0.18 -0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.00 1u1r s VAL 45 N 0.29 4.93 -0.04 2.04 1.01 -1.26 -0.89 120.40 126.47 1u1r s VAL 45 Ca -0.00 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1u1r s VAL 45 Cb -0.04 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1u1r s VAL 45 CO 0.01 0.39 0.79 -0.32 0.00 0.00 0.00 175.10 175.97 1u1r s MET 46 N 0.91 4.48 0.10 2.72 1.75 -0.57 -4.92 119.30 123.77 1u1r s MET 46 Ca 0.05 1.07 -0.01 0.00 -1.25 0.00 0.00 55.69 55.55 1u1r s MET 46 Cb -0.13 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.05 1u1r s MET 46 CO 0.03 0.04 0.02 -0.98 -0.65 0.00 0.00 175.02 173.48 1u1r s ARG 47 N 0.82 0.81 0.12 4.11 1.70 -1.26 0.22 118.95 125.46 1u1r s ARG 47 Ca 0.42 -1.36 -0.31 0.00 -0.47 0.00 0.00 55.73 54.02 1u1r s ARG 47 Cb -0.19 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.29 1u1r s ARG 47 CO 0.22 -0.19 1.64 0.34 -1.08 0.00 0.00 175.30 176.22 1u1r s ASP 48 N -3.00 6.57 0.35 -2.89 2.15 0.11 -4.83 116.67 115.13 1u1r s ASP 48 Ca 0.17 2.58 0.22 0.00 0.43 0.00 0.00 52.55 55.95 1u1r s ASP 48 Cb 0.08 -2.58 1.21 0.00 -0.30 0.00 0.00 42.92 41.33 1u1r s ASP 48 CO -0.03 -0.88 1.67 -0.65 -0.17 0.00 0.00 175.17 175.11 1u1r h PRO 49 N 7.69 0.00 0.00 4.34 0.11 -1.95 0.32 132.00 142.51 1u1r h PRO 49 Ca -0.43 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 1u1r h PRO 49 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1u1r h PRO 49 CO 0.93 0.00 -1.87 0.09 -0.21 0.00 0.00 178.00 176.93 1u1r n ASN 50 N -2.30 1.91 -0.11 -2.05 4.13 -1.26 -4.66 115.26 110.91 1u1r n ASN 50 Ca -0.01 0.07 0.11 0.00 1.68 0.00 0.00 54.58 56.43 1u1r n ASN 50 Cb 0.08 -0.36 0.13 0.00 -1.54 0.00 0.00 39.78 38.09 1u1r n ASN 50 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1u1r n THR 51 N -3.36 0.00 -0.92 3.41 -2.24 -1.22 -4.93 114.28 105.02 1u1r n THR 51 Ca -0.29 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1u1r n THR 51 Cb 0.75 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1u1r n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1r n LYS 52 N -1.15 -1.57 -2.28 -0.78 4.76 0.11 -4.93 118.16 112.32 1u1r n LYS 52 Ca 0.07 0.39 -0.40 0.00 -2.87 0.00 0.00 58.31 55.50 1u1r n LYS 52 Cb 0.35 -4.79 -0.03 0.00 -1.84 0.00 0.00 35.03 28.73 1u1r n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u1r s ARG 53 N -1.72 4.32 0.34 1.97 3.00 -1.26 -4.58 118.95 121.04 1u1r s ARG 53 Ca 0.00 1.96 -0.29 0.00 -1.00 0.00 0.00 55.73 56.40 1u1r s ARG 53 Cb 0.00 -2.96 -0.11 0.00 0.00 0.00 0.00 34.95 31.89 1u1r s ARG 53 CO 0.00 -0.12 1.49 0.45 0.00 0.00 0.00 175.30 177.12 1u1r s SER 54 N -0.84 6.41 0.00 -2.12 0.15 -1.26 0.07 113.70 116.11 1u1r s SER 54 Ca 0.51 2.97 0.29 0.00 0.70 0.00 0.00 55.95 60.41 1u1r s SER 54 Cb -0.34 -2.66 1.21 0.00 -1.71 0.00 0.00 66.02 62.52 1u1r s SER 54 CO 0.44 -0.84 1.84 0.54 1.20 0.00 0.00 173.24 176.42 1u1r n ARG 55 N 1.00 1.35 -0.92 5.44 1.74 0.13 -4.78 116.66 120.63 1u1r n ARG 55 Ca 0.03 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 1u1r n ARG 55 Cb 0.39 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1u1r n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1r n GLY 56 N 1.17 0.46 3.66 -0.13 0.00 -1.26 -5.01 105.19 104.08 1u1r n GLY 56 Ca 0.19 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 1u1r n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1r s PHE 57 N -2.00 -0.31 0.00 1.61 -0.12 -1.26 -1.27 117.98 114.63 1u1r s PHE 57 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1u1r s PHE 57 Cb 0.00 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1u1r s PHE 57 CO 0.00 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 174.62 1u1r n GLY 58 N -0.41 1.58 3.02 1.99 0.00 -0.42 -1.51 105.19 109.45 1u1r n GLY 58 Ca -0.09 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1u1r n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1r s PHE 59 N -5.74 0.46 -0.02 1.61 0.40 -0.07 -0.48 117.98 114.14 1u1r s PHE 59 Ca 0.00 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1u1r s PHE 59 Cb 0.00 -0.30 0.00 0.00 0.51 0.00 0.00 43.02 43.24 1u1r s PHE 59 CO 0.00 -0.15 -0.07 0.14 0.70 0.00 0.00 175.22 175.84 1u1r s VAL 60 N -1.53 0.61 -0.10 -0.44 -7.23 -0.81 -0.81 120.40 110.09 1u1r s VAL 60 Ca -0.12 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 1u1r s VAL 60 Cb -0.09 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.31 1u1r s VAL 60 CO -0.01 0.19 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.91 1u1r s THR 61 N 0.12 1.62 0.46 5.32 2.01 0.09 -0.91 115.64 124.34 1u1r s THR 61 Ca -0.01 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1u1r s THR 61 Cb -0.06 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1u1r s THR 61 CO -0.00 0.46 0.65 -0.31 -0.69 0.00 0.00 174.62 174.74 1u1r s TYR 62 N 0.73 3.02 -0.15 4.92 1.51 -0.21 -0.15 117.35 127.02 1u1r s TYR 62 Ca -0.12 -0.02 0.29 0.00 -1.01 0.00 0.00 57.07 56.22 1u1r s TYR 62 Cb -0.16 -2.41 1.03 0.00 -0.11 0.00 0.00 41.96 40.30 1u1r s TYR 62 CO 0.02 -0.48 1.85 0.00 -1.11 0.00 0.00 175.55 175.83 1u1r h ALA 63 N 0.41 1.00 -2.57 3.71 0.00 -1.60 -3.42 119.26 116.79 1u1r h ALA 63 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1u1r h ALA 63 Cb 1.27 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1u1r h ALA 63 CO 0.53 0.00 -0.35 0.95 0.00 0.00 0.00 179.25 180.38 1u1r s THR 64 N -3.48 0.10 0.32 0.00 -4.23 -1.26 -4.79 115.64 102.30 1u1r s THR 64 Ca 0.04 -0.84 0.14 0.00 -1.18 0.00 0.00 61.69 59.84 1u1r s THR 64 Cb 0.08 -0.94 0.08 0.00 1.34 0.00 0.00 72.50 73.06 1u1r s THR 64 CO 0.56 -0.47 1.77 -0.37 -0.54 0.00 0.00 174.62 175.58 1u1r h VAL 65 N 3.34 1.22 -0.83 2.29 -1.51 -1.88 -2.12 116.25 116.75 1u1r h VAL 65 Ca -0.32 -1.48 0.03 0.00 -1.23 0.00 0.00 66.70 63.69 1u1r h VAL 65 Cb 1.19 1.82 -0.05 0.00 -2.13 0.00 0.00 31.29 32.13 1u1r h VAL 65 CO 0.48 0.41 0.55 -0.08 -1.23 0.00 0.00 177.57 177.70 1u1r h GLU 66 N 0.00 1.04 -0.19 5.19 4.81 -1.96 0.16 114.58 123.63 1u1r h GLU 66 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1u1r h GLU 66 Cb 0.78 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1u1r h GLU 66 CO 0.05 0.69 -0.44 0.93 -0.73 0.00 0.00 179.01 179.51 1u1r h GLU 67 N 1.07 0.47 -0.44 1.92 5.08 -1.69 -1.09 114.58 119.89 1u1r h GLU 67 Ca 0.32 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1u1r h GLU 67 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1u1r h GLU 67 CO -0.09 0.82 0.10 0.28 -1.00 0.00 0.00 179.01 179.12 1u1r h VAL 68 N 0.38 1.24 -0.72 3.13 2.07 -0.81 -1.49 116.25 120.04 1u1r h VAL 68 Ca 0.03 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1u1r h VAL 68 Cb 0.92 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1u1r h VAL 68 CO 0.08 0.29 0.33 0.44 0.02 0.00 0.00 177.57 178.73 1u1r h ASP 69 N 0.58 0.94 -0.46 0.57 3.32 -0.46 -1.29 116.42 119.61 1u1r h ASP 69 Ca 0.14 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1u1r h ASP 69 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1u1r h ASP 69 CO 0.00 0.80 0.20 0.00 -1.72 0.00 0.00 179.24 178.52 1u1r h ALA 70 N 1.34 0.60 -0.29 3.45 0.00 -0.88 -1.04 119.26 122.44 1u1r h ALA 70 Ca 0.25 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u1r h ALA 70 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u1r h ALA 70 CO -0.03 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.55 1u1r h ALA 71 N 1.04 0.34 -0.11 0.00 0.00 -0.71 -2.35 119.26 117.47 1u1r h ALA 71 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1u1r h ALA 71 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u1r h ALA 71 CO -0.01 -0.25 -0.21 0.52 0.00 0.00 0.00 179.25 179.29 1u1r h MET 72 N 0.29 0.19 0.00 0.00 2.07 -1.06 -1.20 114.93 115.22 1u1r h MET 72 Ca 0.12 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1u1r h MET 72 Cb 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1u1r h MET 72 CO -0.09 0.40 0.00 0.09 1.07 0.00 0.00 176.91 178.38 1u1r n ASN 73 N -4.22 0.00 -1.48 1.22 3.02 -0.41 -2.83 115.26 110.56 1u1r n ASN 73 Ca -0.01 -0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.49 1u1r n ASN 73 Cb 0.32 -0.24 0.34 0.00 -0.61 0.00 0.00 39.78 39.59 1u1r n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1r n ALA 74 N -1.24 2.70 -1.57 5.41 0.00 -0.45 -4.97 120.51 120.38 1u1r n ALA 74 Ca 0.12 -1.43 -0.35 0.00 0.00 0.00 0.00 53.44 51.78 1u1r n ALA 74 Cb 0.16 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.69 1u1r n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1r s ARG 75 N -1.37 2.67 0.46 0.00 0.52 -1.13 -4.40 118.95 115.70 1u1r s ARG 75 Ca 0.51 1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 57.21 1u1r s ARG 75 Cb 0.29 -1.90 -0.08 0.00 0.52 0.00 0.00 34.95 33.77 1u1r s ARG 75 CO 0.30 -1.41 1.06 -2.14 0.02 0.00 0.00 175.30 173.13 1u1r s PRO 76 N -3.67 3.90 -0.20 3.54 0.02 -1.26 -5.14 135.00 132.19 1u1r s PRO 76 Ca 0.74 1.46 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 1u1r s PRO 76 Cb -0.28 -2.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.94 1u1r s PRO 76 CO 0.38 -0.36 -0.01 -1.01 -0.33 0.00 0.00 177.00 175.68 1u1r s HIS 77 N -1.82 3.03 -0.19 6.54 3.76 -1.26 -5.07 115.29 120.27 1u1r s HIS 77 Ca 0.64 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 1u1r s HIS 77 Cb -0.20 -2.07 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 1u1r s HIS 77 CO 0.24 -0.24 -0.09 0.21 -0.85 0.00 0.00 174.74 174.00 1u1r s LYS 78 N 0.97 3.29 -0.13 1.40 2.20 -1.26 -0.83 119.74 125.38 1u1r s LYS 78 Ca 0.01 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1u1r s LYS 78 Cb -0.14 -2.84 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1u1r s LYS 78 CO 0.02 -0.12 -0.18 0.08 -0.36 0.00 0.00 175.35 174.78 1u1r s VAL 79 N 1.23 1.78 -1.48 4.02 1.01 0.15 -4.71 120.40 122.39 1u1r s VAL 79 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1u1r s VAL 79 Cb -0.14 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1u1r s VAL 79 CO -0.04 0.50 0.98 0.47 0.00 0.00 0.00 175.10 177.01 1u1r n ASP 80 N 4.22 -4.56 0.00 3.32 8.00 -1.26 -1.48 116.55 124.79 1u1r n ASP 80 Ca -0.19 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1u1r n ASP 80 Cb 0.51 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1u1r n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1r n GLY 81 N -1.72 0.41 3.18 0.44 0.00 -1.26 -4.96 105.19 101.29 1u1r n GLY 81 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1u1r n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1r s ARG 82 N -0.47 2.06 -0.13 1.61 6.06 -0.55 -5.10 118.95 122.43 1u1r s ARG 82 Ca 0.00 -0.72 -0.29 0.00 -2.50 0.00 0.00 55.73 52.22 1u1r s ARG 82 Cb 0.00 -1.77 -0.01 0.00 0.06 0.00 0.00 34.95 33.23 1u1r s ARG 82 CO 0.00 0.29 1.09 0.08 -2.50 0.00 0.00 175.30 174.26 1u1r s VAL 83 N -0.04 4.58 0.48 7.11 1.01 -1.26 0.31 120.40 132.59 1u1r s VAL 83 Ca -0.04 1.88 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1u1r s VAL 83 Cb -0.12 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1u1r s VAL 83 CO 0.03 -0.05 0.51 0.68 0.00 0.00 0.00 175.10 176.26 1u1r s VAL 84 N 2.46 2.36 -0.39 2.92 -7.23 -0.01 -4.88 120.40 115.63 1u1r s VAL 84 Ca 0.50 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1u1r s VAL 84 Cb -0.19 -2.61 0.11 0.00 0.56 0.00 0.00 36.38 34.25 1u1r s VAL 84 CO 0.16 0.00 0.13 -0.70 -0.31 0.00 0.00 175.10 174.38 1u1r s GLU 85 N -4.32 1.41 0.28 4.82 2.12 0.78 -4.52 118.70 119.26 1u1r s GLU 85 Ca 0.49 -1.90 -0.29 0.00 0.36 0.00 0.00 54.97 53.62 1u1r s GLU 85 Cb -0.05 -2.87 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 1u1r s GLU 85 CO 0.30 -1.02 1.07 -2.14 -0.54 0.00 0.00 175.26 172.93 1u1r s PRO 86 N 0.70 4.66 -0.01 4.30 0.02 -1.26 -1.06 135.00 142.34 1u1r s PRO 86 Ca 0.13 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 1u1r s PRO 86 Cb -0.21 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.15 1u1r s PRO 86 CO -0.08 0.25 0.21 0.15 -0.33 0.00 0.00 177.00 177.20 1u1r s LYS 87 N -1.45 0.55 0.35 5.54 1.02 0.81 -4.97 119.74 121.59 1u1r s LYS 87 Ca 0.44 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 1u1r s LYS 87 Cb -0.31 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.13 1u1r s LYS 87 CO 0.39 -0.14 1.49 0.54 -0.92 0.00 0.00 175.35 176.71 1u1r n ARG 88 N 1.46 2.60 -2.45 1.68 5.12 -1.26 -0.05 116.66 123.76 1u1r n ARG 88 Ca -0.22 0.92 -0.42 0.00 -1.93 0.00 0.00 57.85 56.19 1u1r n ARG 88 Cb 0.56 -2.64 -0.03 0.00 -1.16 0.00 0.00 32.46 29.19 1u1r n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1r s ALA 89 N -0.84 3.54 -0.10 7.54 0.00 -0.77 -4.56 121.76 126.57 1u1r s ALA 89 Ca 0.56 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1u1r s ALA 89 Cb -0.49 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 1u1r s ALA 89 CO 0.60 -0.87 0.58 0.08 0.00 0.00 0.00 175.76 176.15 1u1r s VAL 90 N 2.55 5.12 0.74 0.00 1.01 -1.26 -4.89 120.40 123.67 1u1r s VAL 90 Ca 0.55 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 1u1r s VAL 90 Cb -0.24 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.25 1u1r s VAL 90 CO 0.20 0.28 1.03 -1.54 0.00 0.00 0.00 175.10 175.08 1u1r n SER 91 N 3.79 0.68 -0.32 3.32 3.41 -1.26 -4.66 113.62 118.57 1u1r n SER 91 Ca -0.04 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1u1r n SER 91 Cb 0.51 -1.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.30 1u1r n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1r h ARG 92 N -0.36 0.91 -0.03 4.33 3.08 -1.98 0.17 114.38 120.50 1u1r h ARG 92 Ca -0.47 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.52 1u1r h ARG 92 Cb 1.32 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1u1r h ARG 92 CO 0.47 0.60 0.01 1.49 -1.07 0.00 0.00 179.97 181.47 1u1r h GLU 93 N 0.93 0.04 0.00 0.04 4.81 -2.03 -2.96 114.58 115.42 1u1r h GLU 93 Ca 0.45 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1u1r h GLU 93 Cb 0.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1u1r h GLU 93 CO -0.21 0.20 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.61 1u1r h ASP 94 N -0.13 0.00 0.33 1.04 3.32 -1.65 -2.54 116.42 116.79 1u1r h ASP 94 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1u1r h ASP 94 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1u1r h ASP 94 CO -0.00 0.23 0.00 -1.20 -1.72 0.00 0.00 179.24 176.54 1u1r n SER 95 N -3.61 0.05 0.10 6.45 7.64 0.52 -1.09 113.62 123.68 1u1r n SER 95 Ca -0.01 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.51 1u1r n SER 95 Cb 0.36 -0.53 0.25 0.00 -1.01 0.00 0.00 64.21 63.28 1u1r n SER 95 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1u1r h GLN 96 N 0.00 0.00 -6.79 1.43 5.75 -1.49 -3.46 115.11 110.55 1u1r h GLN 96 Ca 0.00 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.01 1u1r h GLN 96 Cb 0.16 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1u1r h GLN 96 CO 0.00 0.00 0.40 1.03 -2.65 0.00 0.00 178.83 177.61 1u1r s ARG 97 N -3.16 4.74 0.21 1.69 1.81 -0.25 -4.98 118.95 119.00 1u1r s ARG 97 Ca 0.08 1.61 -0.32 0.00 -1.72 0.00 0.00 55.73 55.37 1u1r s ARG 97 Cb 0.12 -3.20 -0.13 0.00 -0.45 0.00 0.00 34.95 31.29 1u1r s ARG 97 CO 0.67 0.36 1.60 -2.30 -0.68 0.00 0.00 175.30 174.95 1u1r n PRO 98 N 1.27 2.40 -0.93 3.54 -0.02 -1.26 -2.01 135.00 137.99 1u1r n PRO 98 Ca -0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1u1r n PRO 98 Cb 0.46 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1u1r n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u1r n GLY 99 N 3.18 0.29 0.39 -1.23 0.00 -1.26 -4.88 105.19 101.69 1u1r n GLY 99 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.38 1u1r n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1r h ALA 100 N 0.00 2.53 -0.64 4.61 0.00 -1.69 -1.76 119.26 122.31 1u1r h ALA 100 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1r h ALA 100 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u1r h ALA 100 CO 0.00 -0.70 0.00 0.72 0.00 0.00 0.00 179.25 179.27 1u1r n HIS 101 N -4.37 0.98 -2.33 0.00 8.25 -1.26 -5.00 115.22 111.49 1u1r n HIS 101 Ca 0.11 -0.53 -0.36 0.00 -0.26 0.00 0.00 57.72 56.69 1u1r n HIS 101 Cb 0.65 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.69 1u1r n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1r s LEU 102 N -1.20 3.89 -0.49 2.41 1.43 -0.66 -4.98 118.68 119.07 1u1r s LEU 102 Ca 0.45 2.16 -0.18 0.00 -1.03 0.00 0.00 54.13 55.52 1u1r s LEU 102 Cb 0.25 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 42.09 1u1r s LEU 102 CO 0.28 -0.98 0.57 -0.89 0.23 0.00 0.00 176.35 175.56 1u1r s THR 103 N -1.72 4.95 0.07 5.49 2.01 -1.26 -5.02 115.64 120.16 1u1r s THR 103 Ca 0.67 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1u1r s THR 103 Cb -0.24 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1u1r s THR 103 CO 0.28 -0.73 -0.07 0.68 -0.69 0.00 0.00 174.62 174.10 1u1r s VAL 104 N 2.44 0.62 -1.56 3.82 -7.23 -1.26 -5.05 120.40 112.19 1u1r s VAL 104 Ca 0.13 -1.56 0.14 0.00 -1.81 0.00 0.00 61.98 58.88 1u1r s VAL 104 Cb -0.20 -1.22 0.06 0.00 0.56 0.00 0.00 36.38 35.59 1u1r s VAL 104 CO 0.12 -0.66 0.87 0.29 -0.31 0.00 0.00 175.10 175.41 1u1r n LYS 105 N 0.61 1.38 -5.15 4.82 5.02 -1.26 -4.43 118.16 119.15 1u1r n LYS 105 Ca -0.17 -1.08 -0.31 0.00 -2.02 0.00 0.00 58.31 54.73 1u1r n LYS 105 Cb 0.58 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 1u1r n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1r s LYS 106 N -1.42 2.20 0.12 1.97 2.20 -1.26 -0.36 119.74 123.19 1u1r s LYS 106 Ca 0.14 -0.88 0.11 0.00 -0.36 0.00 0.00 55.97 54.98 1u1r s LYS 106 Cb 0.12 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 1u1r s LYS 106 CO 0.25 0.57 -0.27 0.96 -0.36 0.00 0.00 175.35 176.51 1u1r s ILE 107 N -0.67 2.26 -0.17 5.43 -4.36 -0.19 -1.26 121.20 122.24 1u1r s ILE 107 Ca 0.11 -1.73 -0.13 0.00 -0.26 0.00 0.00 60.65 58.64 1u1r s ILE 107 Cb -0.10 -1.99 -0.05 0.00 1.25 0.00 0.00 42.46 41.57 1u1r s ILE 107 CO -0.00 0.11 0.28 0.12 0.24 0.00 0.00 174.94 175.69 1u1r s PHE 108 N -1.04 3.44 -0.26 1.37 5.36 0.35 -1.81 117.98 125.39 1u1r s PHE 108 Ca 0.14 0.54 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 1u1r s PHE 108 Cb -0.10 -2.34 0.05 0.00 -0.34 0.00 0.00 43.02 40.29 1u1r s PHE 108 CO 0.06 0.20 -0.09 0.08 -1.46 0.00 0.00 175.22 174.01 1u1r s VAL 109 N 0.59 2.41 0.02 3.12 1.01 0.41 -1.34 120.40 126.62 1u1r s VAL 109 Ca 0.15 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1u1r s VAL 109 Cb -0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1u1r s VAL 109 CO 0.04 0.04 -0.07 -0.83 0.00 0.00 0.00 175.10 174.27 1u1r s GLY 110 N 1.18 1.75 0.00 4.51 0.00 0.77 -0.99 107.32 114.54 1u1r s GLY 110 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1u1r s GLY 110 CO -0.05 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.72 1u1r n GLY 111 N 1.41 0.92 3.89 0.20 0.00 -0.06 -1.22 105.19 110.32 1u1r n GLY 111 Ca -0.15 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1u1r n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1r s ILE 112 N -2.61 5.39 0.71 -0.61 -4.36 -0.75 -4.70 121.20 114.27 1u1r s ILE 112 Ca 0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 60.65 60.29 1u1r s ILE 112 Cb 0.00 -3.53 0.02 0.00 1.25 0.00 0.00 42.46 40.20 1u1r s ILE 112 CO 0.00 0.40 1.19 0.29 0.24 0.00 0.00 174.94 177.06 1u1r n LYS 113 N 1.21 0.69 -0.13 0.37 5.02 -1.26 -4.48 118.16 119.58 1u1r n LYS 113 Ca -0.13 0.30 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1u1r n LYS 113 Cb 0.53 -2.43 0.42 0.00 -0.02 0.00 0.00 35.03 33.53 1u1r n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u1r h GLU 114 N -0.08 0.58 -0.29 1.97 4.39 -1.97 -1.18 114.58 117.99 1u1r h GLU 114 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1u1r h GLU 114 Cb 1.33 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1u1r h GLU 114 CO 0.49 0.38 0.00 -0.40 -1.16 0.00 0.00 179.01 178.33 1u1r n ASP 115 N -4.48 1.31 -4.73 1.42 5.75 -1.26 -4.90 116.55 109.66 1u1r n ASP 115 Ca 0.10 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.43 1u1r n ASP 115 Cb 0.28 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1u1r n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1r s THR 116 N -1.69 2.98 0.26 2.12 2.01 -0.45 -5.02 115.64 115.86 1u1r s THR 116 Ca 0.15 0.78 0.11 0.00 0.31 0.00 0.00 61.69 63.04 1u1r s THR 116 Cb 0.08 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1u1r s THR 116 CO 0.09 0.10 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.32 1u1r s GLU 117 N 0.16 1.61 0.31 4.92 2.02 -1.26 -5.04 118.70 121.42 1u1r s GLU 117 Ca 0.60 -1.71 0.07 0.00 0.02 0.00 0.00 54.97 53.95 1u1r s GLU 117 Cb -0.39 -1.68 0.84 0.00 0.10 0.00 0.00 34.13 33.00 1u1r s GLU 117 CO 0.38 0.32 1.69 0.93 0.02 0.00 0.00 175.26 178.59 1u1r h GLU 118 N 2.42 0.37 0.00 1.61 5.08 -1.99 0.21 114.58 122.28 1u1r h GLU 118 Ca -0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1u1r h GLU 118 Cb 1.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1u1r h GLU 118 CO 0.59 0.25 -0.04 1.12 -1.00 0.00 0.00 179.01 179.93 1u1r h HIS 119 N 0.38 0.00 -0.51 4.33 2.07 -1.99 -0.50 115.15 118.94 1u1r h HIS 119 Ca 0.62 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.11 1u1r h HIS 119 Cb 1.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.20 1u1r h HIS 119 CO -0.10 0.04 0.21 0.45 -3.07 0.00 0.00 177.93 175.46 1u1r h HIS 120 N 0.00 0.76 -0.44 6.12 3.86 -0.99 -0.21 115.15 124.25 1u1r h HIS 120 Ca -0.00 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 1u1r h HIS 120 Cb 0.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1u1r h HIS 120 CO 0.00 0.63 -0.14 -0.07 0.86 0.00 0.00 177.93 179.20 1u1r h LEU 121 N 0.68 0.89 -0.28 2.43 3.38 -1.18 -3.22 115.31 118.01 1u1r h LEU 121 Ca 0.17 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1u1r h LEU 121 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1u1r h LEU 121 CO -0.02 1.07 0.14 0.03 0.09 0.00 0.00 178.44 179.75 1u1r h ARG 122 N 0.71 0.39 -0.86 1.13 3.08 -0.91 -0.61 114.38 117.32 1u1r h ARG 122 Ca 0.11 -0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.29 1u1r h ARG 122 Cb 0.69 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 1u1r h ARG 122 CO 0.05 0.37 0.38 -0.44 -1.07 0.00 0.00 179.97 179.26 1u1r h ASP 123 N 0.32 0.36 0.02 7.04 5.19 -1.05 -1.19 116.42 127.10 1u1r h ASP 123 Ca 0.10 0.13 -0.15 0.00 -0.62 0.00 0.00 57.03 56.48 1u1r h ASP 123 Cb 0.10 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1u1r h ASP 123 CO -0.01 0.07 -0.82 0.22 -3.12 0.00 0.00 179.24 175.57 1u1r h TYR 124 N 0.46 0.08 0.00 4.55 3.20 -1.54 -3.41 116.97 120.31 1u1r h TYR 124 Ca 0.51 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.25 1u1r h TYR 124 Cb 0.88 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1u1r h TYR 124 CO -0.14 1.32 -0.34 0.74 -1.64 0.00 0.00 178.16 178.11 1u1r h PHE 125 N -0.88 0.00 0.00 -3.82 0.04 -1.03 -3.26 116.94 107.99 1u1r h PHE 125 Ca -0.21 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1u1r h PHE 125 Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 1u1r h PHE 125 CO 0.17 0.34 -0.05 0.93 -0.60 0.00 0.00 178.31 179.10 1u1r h GLU 126 N 0.00 0.00 -0.00 1.51 5.08 -1.42 -0.47 114.58 119.28 1u1r h GLU 126 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u1r h GLU 126 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1u1r h GLU 126 CO 0.04 0.05 0.01 1.96 -1.00 0.00 0.00 179.01 180.07 1u1r h GLN 127 N 0.00 0.00 0.00 2.33 4.20 -1.80 -2.29 115.11 117.55 1u1r h GLN 127 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1r h GLN 127 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1u1r h GLN 127 CO 0.01 0.00 -1.03 0.66 -0.67 0.00 0.00 178.83 177.79 1u1r n TYR 128 N -3.20 0.12 -0.02 2.96 4.02 -0.19 -5.07 117.16 115.79 1u1r n TYR 128 Ca -0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1u1r n TYR 128 Cb 0.08 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1u1r n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1r n GLY 129 N 1.42 -2.95 3.63 2.72 0.00 -0.86 -4.54 105.19 104.62 1u1r n GLY 129 Ca 0.03 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1u1r n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1r s LYS 130 N -2.00 3.97 0.02 1.61 2.47 -1.26 -4.50 119.74 120.05 1u1r s LYS 130 Ca 0.00 1.24 -0.27 0.00 -1.56 0.00 0.00 55.97 55.38 1u1r s LYS 130 Cb 0.00 -3.84 -0.04 0.00 -1.46 0.00 0.00 37.83 32.49 1u1r s LYS 130 CO 0.00 -1.04 0.83 0.42 0.16 0.00 0.00 175.35 175.72 1u1r s ILE 131 N 4.15 4.81 -0.25 5.43 1.01 -1.26 -1.71 121.20 133.38 1u1r s ILE 131 Ca 0.54 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.95 1u1r s ILE 131 Cb -0.16 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 37.96 1u1r s ILE 131 CO 0.21 0.28 -0.19 -0.62 0.00 0.00 0.00 174.94 174.61 1u1r n GLU 132 N 3.31 0.65 -3.80 2.79 -0.58 0.15 -4.94 120.64 118.23 1u1r n GLU 132 Ca 0.01 0.17 -0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1u1r n GLU 132 Cb 0.51 -1.53 -0.11 0.00 -0.57 0.00 0.00 31.44 29.74 1u1r n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1r s VAL 133 N -2.52 0.03 -0.06 2.62 1.01 -1.07 -4.99 120.40 115.42 1u1r s VAL 133 Ca -0.34 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1u1r s VAL 133 Cb 0.09 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1u1r s VAL 133 CO 0.60 -0.14 -0.13 -0.63 0.00 0.00 0.00 175.10 174.81 1u1r s ILE 134 N -0.50 1.14 -0.20 2.22 1.01 -1.26 -0.60 121.20 123.01 1u1r s ILE 134 Ca -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1u1r s ILE 134 Cb -0.04 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.46 1u1r s ILE 134 CO 0.01 0.35 0.05 -1.61 0.00 0.00 0.00 174.94 173.75 1u1r s GLU 135 N 0.53 0.52 -0.28 2.79 2.02 0.06 -4.99 118.70 119.35 1u1r s GLU 135 Ca -0.12 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 1u1r s GLU 135 Cb -0.15 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1u1r s GLU 135 CO 0.03 -0.69 0.47 0.42 0.02 0.00 0.00 175.26 175.52 1u1r s ILE 136 N 1.91 5.09 0.21 -1.63 1.01 -1.26 -0.64 121.20 125.89 1u1r s ILE 136 Ca 0.01 0.68 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1u1r s ILE 136 Cb -0.17 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 1u1r s ILE 136 CO -0.11 0.05 0.94 -0.04 0.00 0.00 0.00 174.94 175.78 1u1r s MET 137 N 2.25 4.82 0.15 2.79 -1.94 -0.67 -5.01 119.30 121.70 1u1r s MET 137 Ca 0.19 1.47 0.05 0.00 -1.71 0.00 0.00 55.69 55.69 1u1r s MET 137 Cb -0.16 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1u1r s MET 137 CO 0.10 0.46 -0.12 0.95 -0.01 0.00 0.00 175.02 176.40 1u1r s THR 138 N -0.95 1.33 0.28 2.05 -4.23 -1.26 -1.19 115.64 111.67 1u1r s THR 138 Ca 0.42 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 1u1r s THR 138 Cb -0.25 -1.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.69 1u1r s THR 138 CO 0.31 -0.63 1.19 -0.62 -0.54 0.00 0.00 174.62 174.33 1u1r s ASP 139 N -3.01 7.07 -0.32 3.99 3.68 0.19 -4.85 116.67 123.42 1u1r s ASP 139 Ca 0.16 2.41 -0.28 0.00 2.13 0.00 0.00 52.55 56.96 1u1r s ASP 139 Cb -0.00 -2.63 -0.02 0.00 -1.45 0.00 0.00 42.92 38.82 1u1r s ASP 139 CO 0.02 -0.31 1.80 -0.13 0.13 0.00 0.00 175.17 176.68 1u1r s ARG 140 N -1.35 3.37 0.00 4.34 0.52 -1.26 -1.81 118.95 122.76 1u1r s ARG 140 Ca 0.47 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 1u1r s ARG 140 Cb -0.35 -4.19 0.00 0.00 0.52 0.00 0.00 34.95 30.93 1u1r s ARG 140 CO 0.44 -1.82 0.00 0.41 0.02 0.00 0.00 175.30 174.35 1u1r n GLY 141 N 5.39 3.02 0.13 -3.53 0.00 -1.26 -4.80 105.19 104.14 1u1r n GLY 141 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1u1r n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u1r h SER 142 N 0.00 0.43 0.00 1.61 0.87 -1.93 -3.48 113.55 111.06 1u1r h SER 142 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1u1r h SER 142 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1u1r h SER 142 CO 0.00 1.67 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 1u1r n GLY 143 N 1.84 2.56 3.77 5.77 0.00 -0.75 -4.97 105.19 113.42 1u1r n GLY 143 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1u1r n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1r s LYS 144 N -0.27 3.92 0.28 1.61 -0.14 -1.26 -4.58 119.74 119.30 1u1r s LYS 144 Ca 0.00 2.44 -0.29 0.00 -1.36 0.00 0.00 55.97 56.76 1u1r s LYS 144 Cb 0.00 -2.82 -0.10 0.00 -1.68 0.00 0.00 37.83 33.24 1u1r s LYS 144 CO 0.00 -0.63 1.16 0.15 -0.76 0.00 0.00 175.35 175.27 1u1r s LYS 145 N -2.25 4.55 0.00 1.68 3.01 -1.26 0.55 119.74 126.02 1u1r s LYS 145 Ca 0.56 1.92 0.24 0.00 -1.01 0.00 0.00 55.97 57.68 1u1r s LYS 145 Cb -0.44 -3.17 0.34 0.00 -1.01 0.00 0.00 37.83 33.55 1u1r s LYS 145 CO 0.58 0.08 1.31 0.54 0.51 0.00 0.00 175.35 178.37 1u1r n ARG 146 N 1.27 1.14 -0.94 1.68 1.74 -0.33 -4.82 116.66 116.40 1u1r n ARG 146 Ca -0.00 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1u1r n ARG 146 Cb 0.44 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1u1r n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1r n GLY 147 N 1.38 0.50 3.49 -0.13 0.00 -1.26 -4.98 105.19 104.19 1u1r n GLY 147 Ca 0.11 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 1u1r n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1r s PHE 148 N -2.00 -0.11 0.27 1.61 -0.12 -1.26 -0.88 117.98 115.48 1u1r s PHE 148 Ca 0.00 -0.23 -0.10 0.00 -0.05 0.00 0.00 56.93 56.55 1u1r s PHE 148 Cb 0.00 0.36 -0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1u1r s PHE 148 CO 0.00 -0.89 0.47 0.00 -0.05 0.00 0.00 175.22 174.76 1u1r s ALA 149 N -3.87 0.02 -0.02 1.99 0.00 -0.16 -1.67 121.76 118.06 1u1r s ALA 149 Ca 0.09 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1u1r s ALA 149 Cb -0.01 1.09 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 1u1r s ALA 149 CO -0.04 -0.83 -0.17 -0.06 0.00 0.00 0.00 175.76 174.66 1u1r s PHE 150 N -3.74 1.55 -0.07 0.00 0.08 0.19 -0.44 117.98 115.55 1u1r s PHE 150 Ca 0.25 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1u1r s PHE 150 Cb -0.00 -1.01 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1u1r s PHE 150 CO 0.12 -0.06 -0.08 0.08 -0.10 0.00 0.00 175.22 175.18 1u1r s VAL 151 N -0.30 0.83 -0.12 -0.44 1.01 -0.75 -0.76 120.40 119.88 1u1r s VAL 151 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1u1r s VAL 151 Cb -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1u1r s VAL 151 CO -0.00 0.30 -0.06 -0.89 0.00 0.00 0.00 175.10 174.45 1u1r s THR 152 N 1.02 3.74 0.50 3.92 2.01 0.23 -1.02 115.64 126.04 1u1r s THR 152 Ca -0.09 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1u1r s THR 152 Cb -0.14 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1u1r s THR 152 CO -0.00 0.54 0.33 -0.36 -0.69 0.00 0.00 174.62 174.43 1u1r s PHE 153 N -0.10 1.99 -1.64 4.92 0.40 0.51 0.32 117.98 124.38 1u1r s PHE 153 Ca 0.01 -0.75 0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1u1r s PHE 153 Cb -0.13 -1.94 0.17 0.00 0.51 0.00 0.00 43.02 41.63 1u1r s PHE 153 CO 0.03 -0.24 1.19 -3.47 0.70 0.00 0.00 175.22 173.43 1u1r n ASP 154 N -1.59 1.42 -3.86 1.36 -0.08 -0.69 -4.69 116.55 108.41 1u1r n ASP 154 Ca -0.02 -1.13 -0.21 0.00 -1.51 0.00 0.00 54.79 51.91 1u1r n ASP 154 Cb 0.64 0.49 -0.17 0.00 2.34 0.00 0.00 41.12 44.42 1u1r n ASP 154 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1u1r s ASP 155 N -2.65 1.19 0.57 1.67 -1.08 -1.26 -5.02 116.67 110.09 1u1r s ASP 155 Ca 0.17 -0.13 0.31 0.00 -0.52 0.00 0.00 52.55 52.38 1u1r s ASP 155 Cb 0.18 -0.47 1.75 0.00 -1.46 0.00 0.00 42.92 42.92 1u1r s ASP 155 CO 0.64 -0.09 2.20 1.12 0.52 0.00 0.00 175.17 179.55 1u1r h HIS 156 N 7.53 0.00 0.00 -5.34 2.07 -1.90 -1.54 115.15 115.97 1u1r h HIS 156 Ca -0.33 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.13 1u1r h HIS 156 Cb 1.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 1u1r h HIS 156 CO 0.49 0.04 -0.32 0.22 -3.07 0.00 0.00 177.93 175.29 1u1r h ASP 157 N 0.00 0.00 -0.61 3.10 3.58 -1.95 -1.33 116.42 119.20 1u1r h ASP 157 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1u1r h ASP 157 Cb 0.13 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1u1r h ASP 157 CO 0.01 0.32 0.28 0.28 -2.88 0.00 0.00 179.24 177.25 1u1r h SER 158 N 0.00 0.81 -0.15 2.28 0.02 -1.51 0.17 113.55 115.17 1u1r h SER 158 Ca -0.00 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1u1r h SER 158 Cb 0.61 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1u1r h SER 158 CO 0.04 0.73 0.04 0.58 -1.14 0.00 0.00 176.83 177.08 1u1r h VAL 159 N 0.84 1.20 -0.75 2.27 2.07 -1.52 -2.15 116.25 118.21 1u1r h VAL 159 Ca 0.21 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1u1r h VAL 159 Cb 0.14 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1u1r h VAL 159 CO -0.02 0.19 0.49 0.44 0.02 0.00 0.00 177.57 178.69 1u1r h ASP 160 N 0.05 0.87 -0.58 0.57 3.32 -0.95 -0.86 116.42 118.83 1u1r h ASP 160 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1u1r h ASP 160 Cb 0.25 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1u1r h ASP 160 CO 0.00 0.64 0.38 0.11 -1.72 0.00 0.00 179.24 178.64 1u1r h LYS 161 N 1.02 0.77 0.15 3.56 1.57 -0.55 -2.90 116.57 120.20 1u1r h LYS 161 Ca 0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1u1r h LYS 161 Cb -0.11 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.03 1u1r h LYS 161 CO -0.06 0.51 -0.07 0.82 -0.57 0.00 0.00 179.45 180.08 1u1r h ILE 162 N 0.79 0.77 0.00 1.86 2.04 -0.69 -3.36 117.51 118.93 1u1r h ILE 162 Ca 0.21 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1u1r h ILE 162 Cb -0.08 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1u1r h ILE 162 CO -0.04 0.21 -0.03 -0.37 0.00 0.00 0.00 178.15 177.92 1u1r h VAL 163 N -0.91 0.25 0.00 1.67 -1.51 -1.16 -1.35 116.25 113.24 1u1r h VAL 163 Ca -0.02 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.20 1u1r h VAL 163 Cb 0.50 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1u1r h VAL 163 CO 0.03 0.03 -0.15 0.16 -1.23 0.00 0.00 177.57 176.42 1u1r h ILE 164 N 0.00 0.33 -4.11 7.19 3.07 -1.65 -3.44 117.51 118.90 1u1r h ILE 164 Ca -0.00 -1.02 -0.46 0.00 1.55 0.00 0.00 64.86 64.93 1u1r h ILE 164 Cb 0.17 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1u1r h ILE 164 CO 0.00 0.15 0.35 -1.10 -1.05 0.00 0.00 178.15 176.50 1u1r s GLN 165 N -3.53 4.07 -0.10 0.16 -1.52 -0.51 -5.01 119.66 113.22 1u1r s GLN 165 Ca 0.02 1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 54.27 1u1r s GLN 165 Cb 0.09 -2.17 -0.27 0.00 -0.22 0.00 0.00 33.01 30.44 1u1r s GLN 165 CO 0.62 -0.15 0.59 -0.22 -0.25 0.00 0.00 175.29 175.89 1u1r h LYS 166 N 1.39 0.24 -6.33 2.91 3.64 -1.85 -3.48 116.57 113.11 1u1r h LYS 166 Ca -0.48 -0.41 -0.66 0.00 -1.27 0.00 0.00 60.65 57.82 1u1r h LYS 166 Cb 1.18 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 1u1r h LYS 166 CO 0.61 1.20 -0.68 0.71 -2.27 0.00 0.00 179.45 179.02 1u1r s TYR 167 N -2.47 2.93 -0.11 1.91 2.02 -1.26 -4.88 117.35 115.49 1u1r s TYR 167 Ca -0.19 -0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1u1r s TYR 167 Cb 0.04 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1u1r s TYR 167 CO 0.77 0.43 0.24 -1.01 -1.57 0.00 0.00 175.55 174.41 1u1r s HIS 168 N -1.15 -0.36 -0.25 2.71 3.76 -1.26 -5.05 115.29 113.70 1u1r s HIS 168 Ca 0.21 0.85 -0.08 0.00 -0.15 0.00 0.00 55.06 55.89 1u1r s HIS 168 Cb -0.11 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 1u1r s HIS 168 CO 0.13 -0.29 0.10 0.99 -0.85 0.00 0.00 174.74 174.81 1u1r s THR 169 N 1.91 4.58 -0.05 1.30 2.01 -1.26 -0.48 115.64 123.64 1u1r s THR 169 Ca -0.03 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1u1r s THR 169 Cb -0.11 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1u1r s THR 169 CO -0.08 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.43 1u1r s VAL 170 N 1.60 0.58 -1.37 3.82 1.01 -0.18 -4.79 120.40 121.07 1u1r s VAL 170 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1u1r s VAL 170 Cb -0.15 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1u1r s VAL 170 CO 0.05 0.24 0.89 -3.20 0.00 0.00 0.00 175.10 173.09 1u1r n ASN 171 N 4.14 -3.08 0.00 3.32 5.15 -1.26 -2.29 115.26 121.24 1u1r n ASN 171 Ca -0.23 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1u1r n ASN 171 Cb 0.51 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 1u1r n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1r n GLY 172 N -1.61 2.35 3.15 8.20 0.00 -1.26 -4.93 105.19 111.09 1u1r n GLY 172 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1u1r n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1r s HIS 173 N -2.80 0.90 0.47 1.61 3.76 -0.97 -5.08 115.29 113.18 1u1r s HIS 173 Ca 0.00 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 53.89 1u1r s HIS 173 Cb 0.00 -0.51 -0.07 0.00 1.11 0.00 0.00 32.58 33.11 1u1r s HIS 173 CO 0.00 -0.10 1.30 1.21 -0.85 0.00 0.00 174.74 176.30 1u1r s ASN 174 N -2.67 5.89 0.06 1.40 3.84 -1.26 -1.01 114.94 121.18 1u1r s ASN 174 Ca 0.07 2.63 0.01 0.00 0.21 0.00 0.00 52.86 55.79 1u1r s ASN 174 Cb 0.01 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.05 1u1r s ASN 174 CO -0.03 -1.14 -0.06 0.00 -2.79 0.00 0.00 177.10 173.08 1u1r s GLU 176 N -2.66 4.06 -0.10 0.00 2.12 -0.36 -4.02 118.70 117.74 1u1r s GLU 176 Ca -0.01 0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.75 1u1r s GLU 176 Cb -0.02 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1u1r s GLU 176 CO -0.03 0.52 -0.14 0.08 -0.54 0.00 0.00 175.26 175.16 1u1r s VAL 177 N -0.55 1.37 0.22 3.70 1.01 -1.26 -0.17 120.40 124.72 1u1r s VAL 177 Ca 0.24 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1u1r s VAL 177 Cb -0.16 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1u1r s VAL 177 CO 0.12 0.41 0.01 -0.13 0.00 0.00 0.00 175.10 175.52 1u1r s ARG 178 N 1.00 1.28 0.30 2.72 0.52 -0.45 -4.77 118.95 119.55 1u1r s ARG 178 Ca -0.07 -1.65 -0.29 0.00 -0.52 0.00 0.00 55.73 53.20 1u1r s ARG 178 Cb -0.15 -0.45 -0.10 0.00 0.52 0.00 0.00 34.95 34.77 1u1r s ARG 178 CO -0.01 -0.14 1.20 0.15 0.02 0.00 0.00 175.30 176.52 1u1r s LYS 179 N -3.91 4.50 -0.00 3.54 1.02 -1.26 -0.49 119.74 123.13 1u1r s LYS 179 Ca 0.29 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 57.98 1u1r s LYS 179 Cb 0.06 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1u1r s LYS 179 CO 0.08 0.01 1.17 0.00 -0.92 0.00 0.00 175.35 175.69 1u1r s ALA 180 N -1.11 3.41 -0.05 5.17 0.00 -0.39 -4.59 121.76 124.20 1u1r s ALA 180 Ca 0.47 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1u1r s ALA 180 Cb -0.36 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1u1r s ALA 180 CO 0.47 -0.56 -0.08 -0.51 0.00 0.00 0.00 175.76 175.07 1u1r s LEU 181 N 1.60 3.09 0.99 0.00 1.43 -1.26 -4.94 118.68 119.59 1u1r s LEU 181 Ca 0.56 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1u1r s LEU 181 Cb -0.26 -1.69 0.18 0.00 0.03 0.00 0.00 46.19 44.45 1u1r s LEU 181 CO 0.26 0.34 1.08 -0.94 0.23 0.00 0.00 176.35 177.32 1u1r s SER 182 N -0.94 2.55 0.31 2.29 1.04 -1.26 -4.77 113.70 112.92 1u1r s SER 182 Ca 0.13 1.52 0.02 0.00 0.48 0.00 0.00 55.95 58.10 1u1r s SER 182 Cb -0.11 -2.19 0.56 0.00 0.10 0.00 0.00 66.02 64.38 1u1r s SER 182 CO 0.03 -3.22 1.90 0.11 0.98 0.00 0.00 173.24 173.04 1u1r h LYS 183 N -1.95 0.96 -0.29 4.02 1.57 -2.00 -2.25 116.57 116.64 1u1r h LYS 183 Ca -0.53 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.01 1u1r h LYS 183 Cb 1.30 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1u1r h LYS 183 CO 0.52 0.64 -0.52 1.96 -0.57 0.00 0.00 179.45 181.48 1u1r h GLN 184 N 0.99 0.86 -0.35 3.15 4.20 -1.99 -2.54 115.11 119.44 1u1r h GLN 184 Ca 0.40 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1u1r h GLN 184 Cb 0.27 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1u1r h GLN 184 CO -0.16 1.18 0.22 0.93 -0.67 0.00 0.00 178.83 180.32 1u1r h GLU 185 N 0.64 0.46 -0.42 1.46 5.08 -1.76 -1.83 114.58 118.21 1u1r h GLU 185 Ca 0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1u1r h GLU 185 Cb 1.13 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1u1r h GLU 185 CO 0.12 0.33 -0.10 0.52 -1.00 0.00 0.00 179.01 178.88 1u1r h MET 186 N 0.46 0.74 -0.90 2.33 2.86 -1.50 -2.15 114.93 116.76 1u1r h MET 186 Ca 0.13 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1u1r h MET 186 Cb -0.03 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 1u1r h MET 186 CO -0.03 0.82 0.59 0.00 1.06 0.00 0.00 176.91 179.35 1u1r h ALA 187 N 1.22 1.45 0.00 6.32 0.00 -1.06 1.49 119.26 128.68 1u1r h ALA 187 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u1r h ALA 187 Cb 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u1r h ALA 187 CO 0.03 0.45 0.00 0.77 0.00 0.00 0.00 179.25 180.50 1u1r h SER 188 N 1.11 0.00 -0.18 0.00 0.02 -0.80 -2.81 113.55 110.88 1u1r h SER 188 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1u1r h SER 188 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1u1r h SER 188 CO -0.12 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1u1r n ALA 189 N -1.82 2.32 0.81 3.77 0.00 0.12 -5.11 120.51 120.61 1u1r n ALA 189 Ca 0.04 -0.87 0.10 0.00 0.00 0.00 0.00 53.44 52.70 1u1r n ALA 189 Cb 0.34 -0.40 0.08 0.00 0.00 0.00 0.00 19.45 19.47 1u1r n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95