#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1q s GLU 9 N 0.00 3.51 0.41 -1.58 2.02 -1.26 -5.00 118.70 116.80 1u1q s GLU 9 Ca 0.00 1.16 -0.27 0.00 0.02 0.00 0.00 54.97 55.88 1u1q s GLU 9 Cb 0.00 -2.06 -0.09 0.00 0.10 0.00 0.00 34.13 32.08 1u1q s GLU 9 CO 0.00 -0.65 1.40 -2.14 0.02 0.00 0.00 175.26 173.89 1u1q s PRO 10 N -4.00 3.94 0.29 0.39 0.02 -1.26 -4.88 135.00 129.50 1u1q s PRO 10 Ca 0.63 2.37 0.03 0.00 0.02 0.00 0.00 61.00 64.05 1u1q s PRO 10 Cb -0.15 -2.81 0.63 0.00 0.02 0.00 0.00 34.50 32.20 1u1q s PRO 10 CO 0.34 -0.59 1.82 1.49 -0.33 0.00 0.00 177.00 179.73 1u1q h GLU 11 N 2.70 0.88 -0.88 5.54 4.22 -1.98 -1.51 114.58 123.56 1u1q h GLU 11 Ca -0.50 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 58.95 1u1q h GLU 11 Cb 1.25 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 1u1q h GLU 11 CO 0.63 0.58 0.57 0.37 -2.18 0.00 0.00 179.01 178.98 1u1q h GLN 12 N 0.91 0.97 -0.00 1.92 5.75 -1.96 -1.45 115.11 121.25 1u1q h GLN 12 Ca 0.52 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 1u1q h GLN 12 Cb 0.63 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1u1q h GLN 12 CO -0.29 0.64 -0.10 1.28 -2.65 0.00 0.00 178.83 177.70 1u1q n LEU 13 N -4.49 0.27 -1.11 -2.39 4.77 -0.59 -3.39 117.00 110.08 1u1q n LEU 13 Ca 0.13 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1u1q n LEU 13 Cb 0.20 -0.28 0.23 0.00 -2.33 0.00 0.00 43.42 41.25 1u1q n LEU 13 CO 0.33 0.05 0.71 0.54 -1.33 0.00 0.00 177.39 177.70 1u1q n ARG 14 N -1.20 2.44 -4.79 3.23 1.74 -0.55 -4.67 116.66 112.86 1u1q n ARG 14 Ca 0.12 -2.18 -0.30 0.00 -0.77 0.00 0.00 57.85 54.71 1u1q n ARG 14 Cb 0.29 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 1u1q n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1q s LYS 15 N -1.52 1.93 -0.01 5.56 2.20 -1.16 -1.03 119.74 125.71 1u1q s LYS 15 Ca 0.38 -1.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.02 1u1q s LYS 15 Cb 0.22 -2.08 -0.02 0.00 -1.51 0.00 0.00 37.83 34.44 1u1q s LYS 15 CO 0.31 0.53 -0.24 -0.51 -0.36 0.00 0.00 175.35 175.08 1u1q s LEU 16 N -1.33 2.07 0.11 5.43 1.43 0.72 -2.14 118.68 124.97 1u1q s LEU 16 Ca 0.13 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 1u1q s LEU 16 Cb -0.10 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 1u1q s LEU 16 CO 0.03 0.28 0.84 0.12 0.23 0.00 0.00 176.35 177.85 1u1q s PHE 17 N -0.59 3.82 -0.28 0.29 5.36 0.16 -1.92 117.98 124.82 1u1q s PHE 17 Ca 0.09 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.71 1u1q s PHE 17 Cb -0.09 -2.89 0.05 0.00 -0.34 0.00 0.00 43.02 39.75 1u1q s PHE 17 CO -0.00 0.33 -0.06 0.42 -1.46 0.00 0.00 175.22 174.44 1u1q s ILE 18 N -0.39 2.56 0.37 3.12 -1.09 0.11 -0.77 121.20 125.10 1u1q s ILE 18 Ca 0.40 -1.49 0.07 0.00 -2.23 0.00 0.00 60.65 57.41 1u1q s ILE 18 Cb -0.22 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1u1q s ILE 18 CO 0.27 -0.04 0.48 -0.83 -1.23 0.00 0.00 174.94 173.58 1u1q s GLY 19 N 1.18 1.76 -1.21 6.18 0.00 -0.07 -1.29 107.32 113.87 1u1q s GLY 19 Ca -0.07 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.02 1u1q s GLY 19 CO -0.03 -1.46 0.78 0.61 0.00 0.00 0.00 173.10 173.00 1u1q n GLY 20 N -1.67 -0.31 3.77 0.20 0.00 -0.97 -0.73 105.19 105.48 1u1q n GLY 20 Ca 0.03 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1u1q n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1q s LEU 21 N -6.02 4.18 0.63 0.99 1.02 -0.60 -4.54 118.68 114.35 1u1q s LEU 21 Ca 0.39 2.26 -0.18 0.00 0.02 0.00 0.00 54.13 56.62 1u1q s LEU 21 Cb -0.17 -4.06 -0.02 0.00 0.02 0.00 0.00 46.19 41.95 1u1q s LEU 21 CO 0.48 -0.63 1.22 -0.24 0.02 0.00 0.00 176.35 177.21 1u1q n SER 22 N 0.04 1.82 0.16 2.29 2.88 -1.26 -4.69 113.62 114.86 1u1q n SER 22 Ca 0.04 0.83 0.19 0.00 -1.33 0.00 0.00 58.87 58.60 1u1q n SER 22 Cb 0.47 -1.52 0.79 0.00 -0.75 0.00 0.00 64.21 63.20 1u1q n SER 22 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1u1q h PHE 23 N 0.56 0.00 -0.64 0.66 -5.15 -1.97 -1.55 116.94 108.85 1u1q h PHE 23 Ca -0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 1u1q h PHE 23 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.51 1u1q h PHE 23 CO 0.40 0.00 0.00 -0.85 -2.00 0.00 0.00 178.31 175.86 1u1q n GLU 24 N -3.68 3.95 -3.27 6.09 0.28 -1.26 -4.79 120.64 117.96 1u1q n GLU 24 Ca 0.04 -2.95 -0.36 0.00 -0.16 0.00 0.00 57.16 53.73 1u1q n GLU 24 Cb 0.48 -1.96 -0.06 0.00 1.43 0.00 0.00 31.44 31.32 1u1q n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u1q s THR 25 N -2.00 4.76 0.30 3.84 2.01 -0.59 -4.99 115.64 118.97 1u1q s THR 25 Ca 0.52 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.54 1u1q s THR 25 Cb 0.35 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 1u1q s THR 25 CO 0.24 0.24 0.07 0.42 -0.69 0.00 0.00 174.62 174.90 1u1q s THR 26 N -1.47 0.95 0.27 -0.82 -4.23 -1.26 -4.98 115.64 104.10 1u1q s THR 26 Ca 0.39 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1u1q s THR 26 Cb -0.16 -2.73 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1u1q s THR 26 CO 0.20 0.00 1.69 0.44 -0.54 0.00 0.00 174.62 176.41 1u1q h ASP 27 N 2.20 0.22 -0.41 3.99 5.19 -1.91 -0.48 116.42 125.22 1u1q h ASP 27 Ca -0.40 0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.05 1u1q h ASP 27 Cb 1.25 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 1u1q h ASP 27 CO 0.66 -0.01 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.26 1u1q h GLU 28 N 0.36 0.85 -0.08 3.56 4.39 -1.95 -1.94 114.58 119.77 1u1q h GLU 28 Ca 0.51 -0.37 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 1u1q h GLU 28 Cb 0.92 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1u1q h GLU 28 CO -0.52 1.00 -0.59 0.66 -1.16 0.00 0.00 179.01 178.40 1u1q h SER 29 N 0.67 0.29 -0.12 1.42 4.64 -1.76 -1.37 113.55 117.31 1u1q h SER 29 Ca 0.09 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1u1q h SER 29 Cb 0.74 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1u1q h SER 29 CO 0.06 0.82 0.06 0.25 -0.87 0.00 0.00 176.83 177.14 1u1q h LEU 30 N 0.20 0.16 -0.56 5.97 5.85 -1.09 -2.37 115.31 123.47 1u1q h LEU 30 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1u1q h LEU 30 Cb 1.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1u1q h LEU 30 CO 0.09 0.25 0.32 -0.09 -0.34 0.00 0.00 178.44 178.67 1u1q h ARG 31 N 0.07 0.77 -0.90 1.25 2.43 -1.16 -1.42 114.38 115.41 1u1q h ARG 31 Ca 0.04 -0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.28 1u1q h ARG 31 Cb 0.13 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.43 1u1q h ARG 31 CO -0.00 0.58 0.50 1.03 -1.51 0.00 0.00 179.97 180.56 1u1q h SER 32 N 0.75 0.63 0.11 -3.80 0.87 -1.13 0.12 113.55 111.10 1u1q h SER 32 Ca 0.20 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1u1q h SER 32 Cb 0.02 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1u1q h SER 32 CO -0.03 0.26 -0.05 -0.74 -0.53 0.00 0.00 176.83 175.74 1u1q h HIS 33 N 0.70 -0.14 0.00 2.24 -0.00 -0.86 -3.37 115.15 113.72 1u1q h HIS 33 Ca 0.49 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 1u1q h HIS 33 Cb 0.69 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1u1q h HIS 33 CO -0.06 0.36 -0.07 0.74 -0.00 0.00 0.00 177.93 178.90 1u1q h PHE 34 N -0.86 0.00 0.00 5.26 0.04 -0.84 -2.59 116.94 117.96 1u1q h PHE 34 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1u1q h PHE 34 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1u1q h PHE 34 CO 0.11 0.07 0.00 0.39 -0.60 0.00 0.00 178.31 178.28 1u1q n GLU 35 N -3.14 0.02 0.28 1.51 1.02 0.39 -1.52 120.64 119.21 1u1q n GLU 35 Ca 0.02 0.45 0.18 0.00 -0.02 0.00 0.00 57.16 57.79 1u1q n GLU 35 Cb 0.46 -1.55 0.81 0.00 -0.02 0.00 0.00 31.44 31.14 1u1q n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1u1q h GLN 36 N 0.00 0.00 -0.02 3.49 4.20 -1.66 -2.86 115.11 118.26 1u1q h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1q h GLN 36 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1u1q h GLN 36 CO 0.00 0.00 -0.06 0.91 -0.67 0.00 0.00 178.83 179.01 1u1q n TRP 37 N -3.03 0.00 -2.00 2.96 8.01 -0.57 -5.07 117.44 117.74 1u1q n TRP 37 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1u1q n TRP 37 Cb 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.54 1u1q n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1q n GLY 38 N 0.98 -2.12 3.68 6.99 0.00 -1.08 -4.72 105.19 108.92 1u1q n GLY 38 Ca 0.09 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 1u1q n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1q s THR 39 N -2.51 4.47 -0.19 2.61 2.01 -1.26 -4.39 115.64 116.38 1u1q s THR 39 Ca 0.00 1.77 -0.18 0.00 0.31 0.00 0.00 61.69 63.59 1u1q s THR 39 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1u1q s THR 39 CO 0.00 -0.05 0.50 -0.76 -0.69 0.00 0.00 174.62 173.62 1u1q s LEU 40 N 2.52 4.16 0.00 4.42 1.43 -1.26 -1.11 118.68 128.85 1u1q s LEU 40 Ca 0.52 0.66 0.23 0.00 -1.03 0.00 0.00 54.13 54.51 1u1q s LEU 40 Cb -0.21 -2.68 0.07 0.00 0.03 0.00 0.00 46.19 43.40 1u1q s LEU 40 CO 0.17 -0.15 1.10 0.35 0.23 0.00 0.00 176.35 178.06 1u1q n THR 41 N 4.43 0.00 -3.53 5.49 -2.24 0.16 -4.93 114.28 113.66 1u1q n THR 41 Ca -0.05 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 1u1q n THR 41 Cb 0.51 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1u1q n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1q s ASP 42 N -3.03 -0.60 -0.30 3.42 2.15 -1.14 -4.96 116.67 112.21 1u1q s ASP 42 Ca 0.09 0.66 -0.12 0.00 0.43 0.00 0.00 52.55 53.61 1u1q s ASP 42 Cb 0.17 0.50 0.17 0.00 -0.30 0.00 0.00 42.92 43.46 1u1q s ASP 42 CO 0.80 -0.55 0.93 0.00 -0.17 0.00 0.00 175.17 176.19 1u1q s VAL 44 N 2.66 0.01 -0.20 0.00 0.11 -0.50 -4.85 120.40 117.63 1u1q s VAL 44 Ca 0.01 -0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1u1q s VAL 44 Cb -0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1u1q s VAL 44 CO -0.16 -0.03 0.09 -0.69 -3.33 0.00 0.00 175.10 170.98 1u1q s VAL 45 N 0.04 5.02 0.20 2.04 1.01 -1.26 -0.59 120.40 126.85 1u1q s VAL 45 Ca -0.02 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1u1q s VAL 45 Cb -0.03 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 1u1q s VAL 45 CO 0.01 0.44 0.91 -0.04 0.00 0.00 0.00 175.10 176.42 1u1q s MET 46 N 0.49 4.77 0.07 2.72 1.00 -0.23 -4.92 119.30 123.20 1u1q s MET 46 Ca 0.05 1.42 0.05 0.00 0.00 0.00 0.00 55.69 57.21 1u1q s MET 46 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 34.83 31.38 1u1q s MET 46 CO 0.00 0.46 -0.15 1.03 0.00 0.00 0.00 175.02 176.36 1u1q s ARG 47 N -0.90 0.89 0.11 2.03 0.52 -1.26 -0.12 118.95 120.22 1u1q s ARG 47 Ca 0.41 -0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 54.38 1u1q s ARG 47 Cb -0.25 -0.94 -0.09 0.00 0.52 0.00 0.00 34.95 34.19 1u1q s ARG 47 CO 0.30 0.22 1.70 0.34 0.02 0.00 0.00 175.30 177.88 1u1q s ASP 48 N -1.60 6.53 0.25 0.23 2.15 0.37 -4.86 116.67 119.74 1u1q s ASP 48 Ca 0.00 2.61 -0.03 0.00 0.43 0.00 0.00 52.55 55.56 1u1q s ASP 48 Cb -0.09 -2.57 0.44 0.00 -0.30 0.00 0.00 42.92 40.39 1u1q s ASP 48 CO 0.02 -0.92 1.79 -0.65 -0.17 0.00 0.00 175.17 175.24 1u1q h PRO 49 N 8.07 0.69 0.31 4.34 0.11 -1.95 0.14 132.00 143.71 1u1q h PRO 49 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1u1q h PRO 49 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1u1q h PRO 49 CO 0.93 0.45 -0.15 -0.97 -0.21 0.00 0.00 178.00 178.06 1u1q h ASN 50 N 0.71 -0.35 -0.08 -2.05 -1.24 -1.98 -3.35 115.58 107.23 1u1q h ASN 50 Ca 0.41 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.44 1u1q h ASN 50 Cb 0.47 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1u1q h ASN 50 CO -0.29 -0.11 0.00 0.35 -1.29 0.00 0.00 177.43 176.08 1u1q n THR 51 N -3.89 0.10 -0.84 -3.57 -2.24 -1.24 -4.94 114.28 97.67 1u1q n THR 51 Ca -0.05 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1u1q n THR 51 Cb 0.16 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1u1q n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1q n LYS 52 N 0.13 -1.68 -2.47 -0.78 4.76 0.50 -4.94 118.16 113.69 1u1q n LYS 52 Ca 0.18 0.40 -0.32 0.00 -2.87 0.00 0.00 58.31 55.70 1u1q n LYS 52 Cb 0.31 -4.19 -0.04 0.00 -1.84 0.00 0.00 35.03 29.27 1u1q n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u1q s ARG 53 N -1.79 3.96 0.37 1.97 3.00 -1.25 -4.69 118.95 120.52 1u1q s ARG 53 Ca 0.00 1.02 -0.27 0.00 -1.00 0.00 0.00 55.73 55.48 1u1q s ARG 53 Cb 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 34.95 32.72 1u1q s ARG 53 CO 0.00 -0.27 1.33 0.45 0.00 0.00 0.00 175.30 176.81 1u1q s SER 54 N -2.82 6.51 0.00 -2.12 0.15 -1.26 -0.47 113.70 113.68 1u1q s SER 54 Ca 0.60 2.71 0.21 0.00 0.70 0.00 0.00 55.95 60.18 1u1q s SER 54 Cb -0.10 -2.65 0.69 0.00 -1.71 0.00 0.00 66.02 62.25 1u1q s SER 54 CO 0.27 -0.72 1.52 0.54 1.20 0.00 0.00 173.24 176.05 1u1q n ARG 55 N 0.45 1.84 -1.01 5.44 1.74 0.83 -4.76 116.66 121.18 1u1q n ARG 55 Ca 0.02 -1.26 -0.00 0.00 -0.77 0.00 0.00 57.85 55.83 1u1q n ARG 55 Cb 0.42 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1u1q n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1q n GLY 56 N 1.18 0.45 3.45 -0.13 0.00 -1.26 -4.99 105.19 103.89 1u1q n GLY 56 Ca 0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1u1q n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1q s PHE 57 N -2.00 -0.29 0.00 1.61 -0.12 -1.26 -1.56 117.98 114.36 1u1q s PHE 57 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1u1q s PHE 57 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1u1q s PHE 57 CO 0.00 -0.86 0.00 0.41 -0.05 0.00 0.00 175.22 174.72 1u1q n GLY 58 N -0.33 2.12 3.01 1.99 0.00 -0.42 -1.06 105.19 110.50 1u1q n GLY 58 Ca -0.14 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1u1q n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1q s PHE 59 N -8.30 0.41 0.00 1.61 0.40 0.24 0.06 117.98 112.41 1u1q s PHE 59 Ca 0.00 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1u1q s PHE 59 Cb 0.00 -0.27 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1u1q s PHE 59 CO 0.00 -0.16 -0.16 0.14 0.70 0.00 0.00 175.22 175.75 1u1q s VAL 60 N -1.49 1.23 -0.06 -0.44 -7.23 -0.81 -1.41 120.40 110.20 1u1q s VAL 60 Ca -0.13 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 1u1q s VAL 60 Cb -0.10 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.80 1u1q s VAL 60 CO -0.01 0.27 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.03 1u1q s THR 61 N -0.49 1.14 0.40 5.32 2.01 -0.37 -0.20 115.64 123.46 1u1q s THR 61 Ca 0.05 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1u1q s THR 61 Cb -0.07 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1u1q s THR 61 CO -0.00 0.35 0.58 -0.31 -0.69 0.00 0.00 174.62 174.55 1u1q s TYR 62 N 0.51 3.07 -0.20 4.92 1.51 -0.20 0.36 117.35 127.33 1u1q s TYR 62 Ca -0.12 -0.09 0.28 0.00 -1.01 0.00 0.00 57.07 56.13 1u1q s TYR 62 Cb -0.14 -2.23 0.88 0.00 -0.11 0.00 0.00 41.96 40.36 1u1q s TYR 62 CO 0.03 -0.27 1.80 0.00 -1.11 0.00 0.00 175.55 176.00 1u1q h ALA 63 N 0.62 1.00 -2.77 3.71 0.00 -1.44 -3.42 119.26 116.96 1u1q h ALA 63 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1u1q h ALA 63 Cb 1.26 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 1u1q h ALA 63 CO 0.53 0.00 -0.51 0.95 0.00 0.00 0.00 179.25 180.22 1u1q s THR 64 N -3.43 0.09 0.49 0.00 -4.23 -1.26 -4.79 115.64 102.51 1u1q s THR 64 Ca 0.04 -0.73 0.17 0.00 -1.18 0.00 0.00 61.69 59.99 1u1q s THR 64 Cb 0.07 -0.42 0.24 0.00 1.34 0.00 0.00 72.50 73.73 1u1q s THR 64 CO 0.60 -0.40 2.10 0.58 -0.54 0.00 0.00 174.62 176.95 1u1q h VAL 65 N 4.29 1.00 -0.54 2.29 2.07 -1.88 -2.56 116.25 120.93 1u1q h VAL 65 Ca -0.31 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1u1q h VAL 65 Cb 1.20 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1u1q h VAL 65 CO 0.41 0.07 0.18 -0.08 0.02 0.00 0.00 177.57 178.17 1u1q h GLU 66 N 0.00 0.79 -0.32 1.57 4.81 -1.96 0.11 114.58 119.58 1u1q h GLU 66 Ca -0.00 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 1u1q h GLU 66 Cb 0.13 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1u1q h GLU 66 CO 0.01 0.68 -0.33 0.93 -0.73 0.00 0.00 179.01 179.57 1u1q h GLU 67 N 0.77 0.79 -0.65 1.92 5.08 -1.75 -0.75 114.58 120.00 1u1q h GLU 67 Ca 0.18 -0.42 0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1u1q h GLU 67 Cb 0.21 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1u1q h GLU 67 CO -0.01 1.05 0.30 0.28 -1.00 0.00 0.00 179.01 179.63 1u1q h VAL 68 N 0.57 0.83 -0.81 3.13 2.07 -1.06 -0.00 116.25 120.97 1u1q h VAL 68 Ca 0.05 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1u1q h VAL 68 Cb 0.91 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1u1q h VAL 68 CO 0.08 0.10 0.34 0.44 0.02 0.00 0.00 177.57 178.55 1u1q h ASP 69 N 0.52 1.10 -0.19 0.57 3.32 -0.40 -1.13 116.42 120.21 1u1q h ASP 69 Ca 0.32 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1u1q h ASP 69 Cb 0.35 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1u1q h ASP 69 CO -0.27 0.96 0.09 0.00 -1.72 0.00 0.00 179.24 178.30 1u1q h ALA 70 N 1.20 0.22 -0.92 3.45 0.00 -0.38 -0.47 119.26 122.36 1u1q h ALA 70 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u1q h ALA 70 Cb 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1u1q h ALA 70 CO -0.03 -0.34 0.56 0.00 0.00 0.00 0.00 179.25 179.45 1u1q h ALA 71 N 1.10 1.24 0.00 0.00 0.00 -0.57 -1.52 119.26 119.51 1u1q h ALA 71 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1u1q h ALA 71 Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1u1q h ALA 71 CO -0.06 0.65 -0.28 0.52 0.00 0.00 0.00 179.25 180.08 1u1q h MET 72 N 1.28 0.00 0.00 0.00 2.07 -0.79 -1.54 114.93 115.94 1u1q h MET 72 Ca 0.33 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.96 1u1q h MET 72 Cb -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 1u1q h MET 72 CO -0.06 0.28 0.00 0.09 1.07 0.00 0.00 176.91 178.29 1u1q n ASN 73 N -3.30 0.00 -1.40 1.22 3.02 -0.22 -3.21 115.26 111.37 1u1q n ASN 73 Ca 0.01 0.37 0.10 0.00 -0.03 0.00 0.00 54.58 55.04 1u1q n ASN 73 Cb 0.53 -0.45 0.32 0.00 -0.61 0.00 0.00 39.78 39.57 1u1q n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1q n ALA 74 N -1.45 2.66 -1.71 5.41 0.00 -0.58 -4.97 120.51 119.88 1u1q n ALA 74 Ca 0.07 -1.34 -0.35 0.00 0.00 0.00 0.00 53.44 51.82 1u1q n ALA 74 Cb 0.26 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1u1q n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1q s ARG 75 N -1.37 3.07 0.49 0.00 0.52 -1.20 -4.35 118.95 116.11 1u1q s ARG 75 Ca 0.48 1.67 -0.19 0.00 -0.52 0.00 0.00 55.73 57.17 1u1q s ARG 75 Cb 0.27 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.70 1u1q s ARG 75 CO 0.29 -1.09 1.00 -1.25 0.02 0.00 0.00 175.30 174.27 1u1q s PRO 76 N -3.45 3.91 -0.17 3.54 0.04 -1.26 -5.14 135.00 132.48 1u1q s PRO 76 Ca 0.74 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 1u1q s PRO 76 Cb -0.26 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1u1q s PRO 76 CO 0.32 -0.32 0.01 -1.01 0.04 0.00 0.00 177.00 176.04 1u1q s HIS 77 N -2.23 3.13 -0.18 0.56 3.76 -1.26 -5.07 115.29 114.00 1u1q s HIS 77 Ca 0.63 -0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1u1q s HIS 77 Cb -0.13 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1u1q s HIS 77 CO 0.22 0.05 -0.14 0.21 -0.85 0.00 0.00 174.74 174.23 1u1q s LYS 78 N 0.36 3.19 -0.13 1.40 2.20 -1.26 -0.99 119.74 124.51 1u1q s LYS 78 Ca -0.01 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 1u1q s LYS 78 Cb -0.13 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1u1q s LYS 78 CO 0.02 -0.10 -0.20 0.08 -0.36 0.00 0.00 175.35 174.79 1u1q s VAL 79 N 1.11 1.91 -1.45 4.02 1.01 0.44 -4.71 120.40 122.73 1u1q s VAL 79 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1u1q s VAL 79 Cb -0.14 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1u1q s VAL 79 CO -0.05 0.52 0.68 0.47 0.00 0.00 0.00 175.10 176.72 1u1q n ASP 80 N 4.14 -1.97 0.00 3.32 8.00 -1.26 -1.44 116.55 127.35 1u1q n ASP 80 Ca -0.20 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1u1q n ASP 80 Cb 0.51 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 1u1q n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1q n GLY 81 N -1.72 0.57 3.16 0.44 0.00 -1.26 -4.90 105.19 101.48 1u1q n GLY 81 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1u1q n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1q s ARG 82 N -0.34 1.76 -0.06 1.61 3.52 -0.52 -5.09 118.95 119.84 1u1q s ARG 82 Ca 0.00 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.65 1u1q s ARG 82 Cb 0.00 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 1u1q s ARG 82 CO 0.00 0.31 1.36 0.08 -0.81 0.00 0.00 175.30 176.24 1u1q s VAL 83 N -0.14 3.95 0.53 7.11 1.01 -1.26 -0.42 120.40 131.19 1u1q s VAL 83 Ca -0.00 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.33 1u1q s VAL 83 Cb -0.10 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1u1q s VAL 83 CO 0.01 -0.04 0.73 0.68 0.00 0.00 0.00 175.10 176.47 1u1q s VAL 84 N 2.86 2.37 -0.45 2.92 -7.23 -0.16 -4.91 120.40 115.80 1u1q s VAL 84 Ca 0.61 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1u1q s VAL 84 Cb -0.28 -2.38 0.13 0.00 0.56 0.00 0.00 36.38 34.42 1u1q s VAL 84 CO 0.23 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.55 1u1q s GLU 85 N -4.57 1.45 0.29 4.82 2.12 0.09 -4.57 118.70 118.32 1u1q s GLU 85 Ca 0.60 -2.12 -0.28 0.00 0.36 0.00 0.00 54.97 53.53 1u1q s GLU 85 Cb -0.07 -2.60 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1u1q s GLU 85 CO 0.37 -1.13 0.98 -1.25 -0.54 0.00 0.00 175.26 173.69 1u1q s PRO 86 N 0.26 4.66 -0.01 4.30 0.04 -1.26 -0.89 135.00 142.10 1u1q s PRO 86 Ca 0.17 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1u1q s PRO 86 Cb -0.24 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1u1q s PRO 86 CO -0.01 0.32 0.15 0.15 0.04 0.00 0.00 177.00 177.65 1u1q s LYS 87 N -1.66 0.44 0.36 4.56 1.02 0.05 -4.97 119.74 119.54 1u1q s LYS 87 Ca 0.46 -0.27 -0.27 0.00 0.02 0.00 0.00 55.97 55.92 1u1q s LYS 87 Cb -0.24 0.19 -0.12 0.00 -0.52 0.00 0.00 37.83 37.14 1u1q s LYS 87 CO 0.30 -0.10 1.17 0.54 -0.92 0.00 0.00 175.35 176.34 1u1q n ARG 88 N 1.73 1.78 -2.47 1.68 5.12 -1.26 -0.66 116.66 122.58 1u1q n ARG 88 Ca -0.21 0.63 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 1u1q n ARG 88 Cb 0.56 -2.18 -0.02 0.00 -1.16 0.00 0.00 32.46 29.66 1u1q n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1q s ALA 89 N -1.14 3.59 -0.01 7.54 0.00 -0.91 -4.55 121.76 126.28 1u1q s ALA 89 Ca 0.59 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 1u1q s ALA 89 Cb -0.58 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 18.92 1u1q s ALA 89 CO 0.60 -0.98 0.45 0.08 0.00 0.00 0.00 175.76 175.91 1u1q s VAL 90 N 2.92 5.00 0.85 0.00 1.01 -1.26 -4.88 120.40 124.04 1u1q s VAL 90 Ca 0.54 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1u1q s VAL 90 Cb -0.22 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1u1q s VAL 90 CO 0.17 0.53 1.14 -0.94 0.00 0.00 0.00 175.10 175.99 1u1q s SER 91 N -0.77 3.57 0.36 3.32 1.04 -1.26 -4.65 113.70 115.31 1u1q s SER 91 Ca 0.25 2.10 0.06 0.00 0.48 0.00 0.00 55.95 58.84 1u1q s SER 91 Cb -0.17 -2.56 0.74 0.00 0.10 0.00 0.00 66.02 64.13 1u1q s SER 91 CO 0.14 -2.67 1.95 0.03 0.98 0.00 0.00 173.24 173.67 1u1q h ARG 92 N -1.43 0.74 -0.06 4.02 3.08 -1.98 -0.00 114.38 118.75 1u1q h ARG 92 Ca -0.44 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 1u1q h ARG 92 Cb 1.26 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1u1q h ARG 92 CO 0.46 0.49 -0.19 1.49 -1.07 0.00 0.00 179.97 181.14 1u1q h GLU 93 N 0.76 0.23 0.00 0.04 4.81 -2.03 -3.04 114.58 115.35 1u1q h GLU 93 Ca 0.32 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1u1q h GLU 93 Cb 0.29 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1u1q h GLU 93 CO -0.11 0.80 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.39 1u1q h ASP 94 N -0.30 0.00 0.24 1.04 3.32 -1.82 -2.44 116.42 116.46 1u1q h ASP 94 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1u1q h ASP 94 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1u1q h ASP 94 CO 0.04 0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 176.50 1u1q n SER 95 N -3.69 0.40 0.01 6.45 7.64 -0.05 -1.81 113.62 122.57 1u1q n SER 95 Ca -0.02 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.64 1u1q n SER 95 Cb 0.25 -0.72 0.29 0.00 -1.01 0.00 0.00 64.21 63.02 1u1q n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u1q n GLN 96 N -2.01 0.04 -3.08 1.43 1.13 -0.92 -4.82 117.38 109.15 1u1q n GLN 96 Ca 0.00 0.01 -0.34 0.00 -1.94 0.00 0.00 57.00 54.73 1u1q n GLN 96 Cb 0.09 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 1u1q n GLN 96 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1u1q s ARG 97 N -3.02 4.16 0.16 -1.09 1.81 -0.75 -5.00 118.95 115.22 1u1q s ARG 97 Ca 0.11 0.82 -0.34 0.00 -1.72 0.00 0.00 55.73 54.60 1u1q s ARG 97 Cb 0.17 -2.63 -0.15 0.00 -0.45 0.00 0.00 34.95 31.89 1u1q s ARG 97 CO 0.68 0.26 1.45 -2.30 -0.68 0.00 0.00 175.30 174.71 1u1q n PRO 98 N 0.15 1.80 -1.02 3.54 -0.02 -1.26 -1.94 135.00 136.25 1u1q n PRO 98 Ca 0.01 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 1u1q n PRO 98 Cb 0.52 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1u1q n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u1q n GLY 99 N 2.83 0.39 0.24 -1.23 0.00 -1.26 -4.90 105.19 101.26 1u1q n GLY 99 Ca 0.16 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1u1q n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1q h ALA 100 N 0.00 1.69 -0.61 4.61 0.00 -1.68 -2.35 119.26 120.91 1u1q h ALA 100 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u1q h ALA 100 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u1q h ALA 100 CO 0.02 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.22 1u1q n HIS 101 N -4.35 1.01 -2.11 0.00 8.25 -1.26 -5.00 115.22 111.75 1u1q n HIS 101 Ca -0.02 -0.54 -0.38 0.00 -0.26 0.00 0.00 57.72 56.52 1u1q n HIS 101 Cb 0.22 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1u1q n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1q s LEU 102 N -1.30 4.03 -0.50 2.41 1.43 -0.89 -4.97 118.68 118.90 1u1q s LEU 102 Ca 0.44 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 55.85 1u1q s LEU 102 Cb 0.25 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 42.38 1u1q s LEU 102 CO 0.26 -1.03 0.50 -0.89 0.23 0.00 0.00 176.35 175.42 1u1q s THR 103 N -1.42 5.09 0.06 5.49 2.01 -1.26 -5.03 115.64 120.58 1u1q s THR 103 Ca 0.63 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1u1q s THR 103 Cb -0.33 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1u1q s THR 103 CO 0.41 -0.71 -0.06 0.68 -0.69 0.00 0.00 174.62 174.25 1u1q s VAL 104 N 2.02 0.45 -2.22 3.82 -7.23 -1.26 -5.05 120.40 110.93 1u1q s VAL 104 Ca 0.08 -1.49 0.19 0.00 -1.81 0.00 0.00 61.98 58.95 1u1q s VAL 104 Cb -0.23 -1.10 0.22 0.00 0.56 0.00 0.00 36.38 35.83 1u1q s VAL 104 CO 0.08 -0.70 1.16 0.29 -0.31 0.00 0.00 175.10 175.63 1u1q n LYS 105 N 0.70 1.85 -5.05 4.82 5.02 -1.26 -4.52 118.16 119.72 1u1q n LYS 105 Ca -0.18 -1.78 -0.30 0.00 -2.02 0.00 0.00 58.31 54.03 1u1q n LYS 105 Cb 0.58 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 1u1q n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1q s LYS 106 N -1.47 1.92 0.18 1.97 2.20 -1.26 0.12 119.74 123.40 1u1q s LYS 106 Ca 0.25 -1.04 0.11 0.00 -0.36 0.00 0.00 55.97 54.93 1u1q s LYS 106 Cb 0.17 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1u1q s LYS 106 CO 0.24 0.53 -0.24 0.96 -0.36 0.00 0.00 175.35 176.48 1u1q s ILE 107 N -0.74 2.35 -0.02 5.43 -4.36 0.26 -1.73 121.20 122.39 1u1q s ILE 107 Ca 0.11 -1.97 -0.17 0.00 -0.26 0.00 0.00 60.65 58.36 1u1q s ILE 107 Cb -0.10 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 1u1q s ILE 107 CO 0.01 -0.07 0.47 0.12 0.24 0.00 0.00 174.94 175.71 1u1q s PHE 108 N -1.55 3.68 -0.21 1.37 5.36 0.41 -1.82 117.98 125.22 1u1q s PHE 108 Ca 0.19 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 1u1q s PHE 108 Cb -0.08 -2.43 0.05 0.00 -0.34 0.00 0.00 43.02 40.22 1u1q s PHE 108 CO 0.09 0.48 -0.07 0.08 -1.46 0.00 0.00 175.22 174.34 1u1q s VAL 109 N -0.55 1.47 0.21 3.12 1.01 0.35 -1.41 120.40 124.60 1u1q s VAL 109 Ca 0.26 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1u1q s VAL 109 Cb -0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1u1q s VAL 109 CO 0.14 0.02 -0.01 -0.83 0.00 0.00 0.00 175.10 174.42 1u1q s GLY 110 N 1.45 1.69 -0.25 4.51 0.00 0.23 -0.75 107.32 114.19 1u1q s GLY 110 Ca -0.03 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.20 1u1q s GLY 110 CO -0.07 -1.50 0.22 0.61 0.00 0.00 0.00 173.10 172.35 1u1q n GLY 111 N -0.36 0.67 3.89 0.20 0.00 0.50 -2.00 105.19 108.09 1u1q n GLY 111 Ca -0.09 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1u1q n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1q s ILE 112 N -3.05 5.44 0.72 -0.61 -4.36 -0.72 -4.74 121.20 113.87 1u1q s ILE 112 Ca 0.11 0.01 -0.16 0.00 -0.26 0.00 0.00 60.65 60.35 1u1q s ILE 112 Cb -0.05 -3.45 0.03 0.00 1.25 0.00 0.00 42.46 40.24 1u1q s ILE 112 CO 0.13 0.47 1.25 0.29 0.24 0.00 0.00 174.94 177.33 1u1q n LYS 113 N 1.46 0.69 -0.14 0.37 5.02 -1.26 -4.46 118.16 119.84 1u1q n LYS 113 Ca -0.15 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1u1q n LYS 113 Cb 0.54 -2.49 0.46 0.00 -0.02 0.00 0.00 35.03 33.51 1u1q n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u1q h GLU 114 N -0.12 0.50 -0.71 1.97 4.39 -1.98 0.00 114.58 118.63 1u1q h GLU 114 Ca -0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1u1q h GLU 114 Cb 1.32 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1u1q h GLU 114 CO 0.50 0.33 0.00 -0.40 -1.16 0.00 0.00 179.01 178.28 1u1q n ASP 115 N -4.48 3.18 -4.76 1.42 5.75 -1.26 -4.93 116.55 111.46 1u1q n ASP 115 Ca 0.12 -2.39 -0.41 0.00 -0.01 0.00 0.00 54.79 52.10 1u1q n ASP 115 Cb 0.38 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 1u1q n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1q s THR 116 N -1.83 2.76 0.41 2.12 2.01 -0.02 -5.01 115.64 116.08 1u1q s THR 116 Ca 0.27 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.04 1u1q s THR 116 Cb 0.20 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 1u1q s THR 116 CO 0.10 0.15 0.03 -1.61 -0.69 0.00 0.00 174.62 172.60 1u1q s GLU 117 N -1.26 1.92 0.29 4.92 2.02 -1.26 -5.02 118.70 120.31 1u1q s GLU 117 Ca 0.52 -2.12 -0.02 0.00 0.02 0.00 0.00 54.97 53.38 1u1q s GLU 117 Cb -0.40 -1.34 0.43 0.00 0.10 0.00 0.00 34.13 32.92 1u1q s GLU 117 CO 0.49 -0.17 1.91 0.93 0.02 0.00 0.00 175.26 178.43 1u1q h GLU 118 N 1.79 0.99 -0.21 1.61 5.08 -1.99 -1.79 114.58 120.05 1u1q h GLU 118 Ca -0.42 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1u1q h GLU 118 Cb 1.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1u1q h GLU 118 CO 0.75 0.73 0.10 1.12 -1.00 0.00 0.00 179.01 180.71 1u1q h HIS 119 N 0.99 0.27 -0.64 4.33 2.07 -1.99 0.01 115.15 120.20 1u1q h HIS 119 Ca 0.25 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.74 1u1q h HIS 119 Cb 0.04 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 29.90 1u1q h HIS 119 CO 0.01 0.20 0.26 0.45 -3.07 0.00 0.00 177.93 175.78 1u1q h HIS 120 N 0.28 0.96 -0.44 6.12 3.86 -1.72 -0.34 115.15 123.87 1u1q h HIS 120 Ca 0.07 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1u1q h HIS 120 Cb 0.03 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1u1q h HIS 120 CO 0.00 0.75 0.04 -0.07 0.86 0.00 0.00 177.93 179.51 1u1q h LEU 121 N 0.89 0.73 -0.48 2.43 3.38 -1.20 -3.05 115.31 118.02 1u1q h LEU 121 Ca 0.21 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1u1q h LEU 121 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1u1q h LEU 121 CO -0.02 0.84 0.09 0.03 0.09 0.00 0.00 178.44 179.47 1u1q h ARG 122 N 0.61 0.78 -0.04 1.13 3.08 -0.75 -0.15 114.38 119.04 1u1q h ARG 122 Ca 0.13 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1u1q h ARG 122 Cb 0.44 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1u1q h ARG 122 CO 0.02 0.77 0.06 -0.44 -1.07 0.00 0.00 179.97 179.31 1u1q h ASP 123 N 0.65 0.00 0.02 7.04 3.32 -1.01 -0.22 116.42 126.22 1u1q h ASP 123 Ca 0.15 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.83 1u1q h ASP 123 Cb 0.36 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1u1q h ASP 123 CO 0.01 0.00 -2.08 0.00 -1.72 0.00 0.00 179.24 175.45 1u1q n TYR 124 N -3.56 0.50 0.15 4.55 9.36 -1.00 -4.68 117.16 122.49 1u1q n TYR 124 Ca -0.02 0.17 0.06 0.00 3.32 0.00 0.00 57.90 61.43 1u1q n TYR 124 Cb 0.15 -1.06 0.06 0.00 -0.63 0.00 0.00 39.34 37.86 1u1q n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1q h PHE 125 N -0.63 0.00 0.00 2.98 0.04 -0.84 -3.31 116.94 115.17 1u1q h PHE 125 Ca -0.54 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.23 1u1q h PHE 125 Cb 1.65 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.80 1u1q h PHE 125 CO 0.01 0.32 -0.04 0.93 -0.60 0.00 0.00 178.31 178.94 1u1q h GLU 126 N 0.00 0.00 0.00 1.51 5.08 -1.24 -0.41 114.58 119.52 1u1q h GLU 126 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1u1q h GLU 126 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1u1q h GLU 126 CO 0.04 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 1u1q n GLN 127 N -3.60 0.17 0.03 2.33 6.02 -1.25 -2.57 117.38 118.52 1u1q n GLN 127 Ca -0.02 0.46 0.11 0.00 -0.01 0.00 0.00 57.00 57.53 1u1q n GLN 127 Cb 0.14 -1.87 -0.09 0.00 1.02 0.00 0.00 30.24 29.44 1u1q n GLN 127 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1u1q n TYR 128 N -2.20 0.38 -0.60 1.08 4.02 -0.17 -5.07 117.16 114.60 1u1q n TYR 128 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1u1q n TYR 128 Cb 0.19 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 1u1q n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1q n GLY 129 N 1.24 -2.08 3.65 2.72 0.00 -1.06 -4.50 105.19 105.15 1u1q n GLY 129 Ca -0.02 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1u1q n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1q s LYS 130 N -1.87 4.12 0.05 1.61 2.47 -1.26 -4.50 119.74 120.35 1u1q s LYS 130 Ca 0.00 1.40 -0.25 0.00 -1.56 0.00 0.00 55.97 55.56 1u1q s LYS 130 Cb 0.00 -3.77 -0.06 0.00 -1.46 0.00 0.00 37.83 32.54 1u1q s LYS 130 CO 0.00 -0.85 0.76 0.42 0.16 0.00 0.00 175.35 175.85 1u1q s ILE 131 N 3.73 4.72 -0.23 5.43 1.01 -1.26 -1.09 121.20 133.51 1u1q s ILE 131 Ca 0.52 1.63 -0.02 0.00 0.00 0.00 0.00 60.65 62.78 1u1q s ILE 131 Cb -0.18 -4.11 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 1u1q s ILE 131 CO 0.16 0.37 -0.22 -0.62 0.00 0.00 0.00 174.94 174.62 1u1q n GLU 132 N 2.77 0.54 -3.84 2.79 -0.58 0.76 -4.92 120.64 118.16 1u1q n GLU 132 Ca -0.03 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.75 1u1q n GLU 132 Cb 0.50 -1.42 -0.12 0.00 -0.57 0.00 0.00 31.44 29.83 1u1q n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1q s VAL 133 N -2.44 0.03 -0.05 2.62 1.01 -1.09 -4.98 120.40 115.49 1u1q s VAL 133 Ca -0.31 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1u1q s VAL 133 Cb 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1u1q s VAL 133 CO 0.49 -0.12 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1u1q s ILE 134 N -0.38 0.66 -0.21 2.22 1.01 -1.26 -0.62 121.20 122.63 1u1q s ILE 134 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1u1q s ILE 134 Cb -0.03 -0.67 0.06 0.00 0.01 0.00 0.00 42.46 41.83 1u1q s ILE 134 CO 0.01 0.25 -0.01 -1.61 0.00 0.00 0.00 174.94 173.58 1u1q s GLU 135 N 0.87 1.14 -0.23 2.79 2.02 -0.17 -5.00 118.70 120.13 1u1q s GLU 135 Ca -0.12 -0.70 -0.19 0.00 0.02 0.00 0.00 54.97 53.98 1u1q s GLU 135 Cb -0.15 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 1u1q s GLU 135 CO 0.01 -0.62 0.58 0.42 0.02 0.00 0.00 175.26 175.67 1u1q s ILE 136 N 1.63 5.04 0.15 -1.63 1.01 -1.26 -0.77 121.20 125.36 1u1q s ILE 136 Ca -0.03 1.05 -0.27 0.00 0.00 0.00 0.00 60.65 61.40 1u1q s ILE 136 Cb -0.18 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1u1q s ILE 136 CO -0.07 0.10 0.82 -0.04 0.00 0.00 0.00 174.94 175.75 1u1q s MET 137 N 2.12 4.62 0.23 2.79 -1.94 -0.36 -5.00 119.30 121.75 1u1q s MET 137 Ca 0.25 1.23 0.06 0.00 -1.71 0.00 0.00 55.69 55.52 1u1q s MET 137 Cb -0.16 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.34 1u1q s MET 137 CO 0.09 0.47 -0.07 0.95 -0.01 0.00 0.00 175.02 176.45 1u1q s THR 138 N -0.83 1.41 -0.10 2.05 -4.23 -1.26 -1.74 115.64 110.93 1u1q s THR 138 Ca 0.38 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1u1q s THR 138 Cb -0.23 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1u1q s THR 138 CO 0.27 -0.45 1.04 -0.62 -0.54 0.00 0.00 174.62 174.32 1u1q s ASP 139 N -3.33 7.20 0.34 3.99 -1.08 0.29 -4.89 116.67 119.20 1u1q s ASP 139 Ca 0.25 1.57 -0.29 0.00 -0.52 0.00 0.00 52.55 53.57 1u1q s ASP 139 Cb 0.03 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.83 1u1q s ASP 139 CO 0.08 -0.48 1.43 -0.13 0.52 0.00 0.00 175.17 176.59 1u1q s ARG 140 N 2.12 4.21 0.00 4.34 3.00 -1.26 -0.82 118.95 130.54 1u1q s ARG 140 Ca 0.49 2.42 0.00 0.00 0.00 0.00 0.00 55.73 58.64 1u1q s ARG 140 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 34.95 31.73 1u1q s ARG 140 CO 0.18 -0.41 0.00 0.41 0.00 0.00 0.00 175.30 175.48 1u1q n GLY 141 N 0.99 2.09 0.12 -3.53 0.00 -1.26 -4.53 105.19 99.07 1u1q n GLY 141 Ca 0.02 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1u1q n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1q h SER 142 N 0.00 0.00 0.00 1.61 4.64 -1.96 -3.48 113.55 114.37 1u1q h SER 142 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u1q h SER 142 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1u1q h SER 142 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 1u1q n GLY 143 N 1.25 0.78 3.85 -0.77 0.00 -0.00 -4.99 105.19 105.30 1u1q n GLY 143 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1u1q n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1q s LYS 144 N -0.03 4.00 0.36 1.61 1.02 -1.26 -4.64 119.74 120.80 1u1q s LYS 144 Ca 0.00 0.76 -0.28 0.00 0.02 0.00 0.00 55.97 56.48 1u1q s LYS 144 Cb 0.00 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1u1q s LYS 144 CO 0.00 0.03 1.32 0.15 -0.92 0.00 0.00 175.35 175.93 1u1q s LYS 145 N -3.31 4.20 0.00 1.68 -0.14 -1.26 -0.55 119.74 120.36 1u1q s LYS 145 Ca 0.56 2.22 0.21 0.00 -1.36 0.00 0.00 55.97 57.59 1u1q s LYS 145 Cb -0.10 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1u1q s LYS 145 CO 0.21 -0.32 0.99 0.54 -0.76 0.00 0.00 175.35 176.01 1u1q n ARG 146 N 0.53 1.22 -1.20 1.68 1.74 -0.71 -4.83 116.66 115.08 1u1q n ARG 146 Ca 0.01 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1u1q n ARG 146 Cb 0.42 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1u1q n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1q n GLY 147 N 1.37 0.53 3.38 -0.13 0.00 -1.26 -4.96 105.19 104.11 1u1q n GLY 147 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1u1q n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1q s PHE 148 N -2.00 -0.26 0.17 1.61 -0.12 -1.26 -0.37 117.98 115.75 1u1q s PHE 148 Ca 0.00 -0.04 -0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1u1q s PHE 148 Cb 0.00 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1u1q s PHE 148 CO 0.00 -0.77 0.21 0.00 -0.05 0.00 0.00 175.22 174.61 1u1q s ALA 149 N -3.81 0.48 0.06 1.99 0.00 0.07 -1.22 121.76 119.32 1u1q s ALA 149 Ca 0.04 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.86 1u1q s ALA 149 Cb 0.01 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 1u1q s ALA 149 CO -0.11 -0.61 -0.26 -0.06 0.00 0.00 0.00 175.76 174.72 1u1q s PHE 150 N -4.04 2.24 -0.04 0.00 0.08 0.05 -0.50 117.98 115.77 1u1q s PHE 150 Ca 0.25 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1u1q s PHE 150 Cb 0.05 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 1u1q s PHE 150 CO 0.04 0.15 -0.06 0.08 -0.10 0.00 0.00 175.22 175.33 1u1q s VAL 151 N -0.84 0.66 -0.07 -0.44 1.01 -0.76 -0.99 120.40 118.97 1u1q s VAL 151 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1u1q s VAL 151 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1u1q s VAL 151 CO 0.03 0.24 -0.12 -0.89 0.00 0.00 0.00 175.10 174.36 1u1q s THR 152 N 0.70 3.24 0.43 3.92 2.01 0.21 -0.58 115.64 125.58 1u1q s THR 152 Ca -0.10 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1u1q s THR 152 Cb -0.13 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1u1q s THR 152 CO 0.01 0.58 0.10 -0.36 -0.69 0.00 0.00 174.62 174.26 1u1q s PHE 153 N -0.59 2.44 -0.94 4.92 0.40 0.12 -0.17 117.98 124.16 1u1q s PHE 153 Ca 0.08 -0.68 0.26 0.00 -0.60 0.00 0.00 56.93 56.00 1u1q s PHE 153 Cb -0.11 -1.85 0.68 0.00 0.51 0.00 0.00 43.02 42.25 1u1q s PHE 153 CO 0.01 0.27 1.54 -3.47 0.70 0.00 0.00 175.22 174.27 1u1q n ASP 154 N -1.16 0.41 -3.88 1.36 4.64 -0.25 -4.71 116.55 112.96 1u1q n ASP 154 Ca -0.05 0.02 -0.21 0.00 -1.38 0.00 0.00 54.79 53.17 1u1q n ASP 154 Cb 0.66 0.01 -0.17 0.00 -1.04 0.00 0.00 41.12 40.59 1u1q n ASP 154 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1u1q s ASP 155 N -3.23 1.25 0.65 1.67 -1.08 -1.26 -5.01 116.67 109.65 1u1q s ASP 155 Ca 0.11 -0.15 0.43 0.00 -0.52 0.00 0.00 52.55 52.42 1u1q s ASP 155 Cb 0.17 -0.51 2.33 0.00 -1.46 0.00 0.00 42.92 43.44 1u1q s ASP 155 CO 0.66 -0.08 2.33 1.12 0.52 0.00 0.00 175.17 179.71 1u1q h HIS 156 N 7.46 0.00 -0.08 -5.34 2.07 -1.88 -2.05 115.15 115.34 1u1q h HIS 156 Ca -0.33 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.07 1u1q h HIS 156 Cb 1.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 1u1q h HIS 156 CO 0.49 0.00 -0.49 0.22 -3.07 0.00 0.00 177.93 175.09 1u1q h ASP 157 N 0.00 0.21 -0.17 3.10 3.58 -1.95 -1.59 116.42 119.60 1u1q h ASP 157 Ca 0.00 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.39 1u1q h ASP 157 Cb 0.04 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1u1q h ASP 157 CO 0.00 0.66 -0.05 0.28 -2.88 0.00 0.00 179.24 177.26 1u1q h SER 158 N 0.16 -0.17 -0.46 2.28 0.02 -1.59 0.13 113.55 113.92 1u1q h SER 158 Ca 0.01 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1u1q h SER 158 Cb 0.92 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1u1q h SER 158 CO 0.07 -0.06 0.24 0.58 -1.14 0.00 0.00 176.83 176.52 1u1q h VAL 159 N -0.01 0.98 -0.62 2.27 2.07 -1.49 -1.61 116.25 117.84 1u1q h VAL 159 Ca 0.08 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1u1q h VAL 159 Cb 0.13 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1u1q h VAL 159 CO -0.18 0.09 0.29 0.44 0.02 0.00 0.00 177.57 178.23 1u1q h ASP 160 N 0.48 0.82 0.37 0.57 3.32 -1.00 -0.82 116.42 120.16 1u1q h ASP 160 Ca 0.20 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1u1q h ASP 160 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1u1q h ASP 160 CO -0.13 0.73 -0.26 0.50 -1.72 0.00 0.00 179.24 178.37 1u1q h LYS 161 N 0.86 0.00 0.05 3.56 3.64 -0.52 -3.01 116.57 121.14 1u1q h LYS 161 Ca 0.21 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1u1q h LYS 161 Cb 0.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1u1q h LYS 161 CO -0.02 0.26 -0.42 0.82 -2.27 0.00 0.00 179.45 177.81 1u1q h ILE 162 N 0.00 1.58 0.00 2.00 2.04 -0.85 -3.35 117.51 118.94 1u1q h ILE 162 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1u1q h ILE 162 Cb 0.51 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1u1q h ILE 162 CO 0.03 0.62 0.00 -0.37 0.00 0.00 0.00 178.15 178.44 1u1q h VAL 163 N -0.53 0.00 0.00 1.67 -1.51 -1.13 0.35 116.25 115.10 1u1q h VAL 163 Ca -0.07 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1u1q h VAL 163 Cb 1.26 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1u1q h VAL 163 CO 0.08 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 178.72 1u1q n ILE 164 N -2.90 0.50 -3.34 7.19 -5.35 -1.14 -4.77 119.36 109.55 1u1q n ILE 164 Ca 0.01 0.02 -0.31 0.00 -0.27 0.00 0.00 62.75 62.19 1u1q n ILE 164 Cb 0.28 -0.73 -0.05 0.00 -1.74 0.00 0.00 39.64 37.40 1u1q n ILE 164 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1q s GLN 165 N -3.08 3.79 -0.06 6.28 -1.52 0.11 -5.01 119.66 120.17 1u1q s GLN 165 Ca 0.10 0.28 -0.18 0.00 -1.95 0.00 0.00 55.36 53.60 1u1q s GLN 165 Cb 0.14 -2.61 -0.30 0.00 -0.22 0.00 0.00 33.01 30.02 1u1q s GLN 165 CO 0.47 0.26 0.75 -0.22 -0.25 0.00 0.00 175.29 176.30 1u1q h LYS 166 N 2.28 0.30 -6.48 2.91 3.64 -1.86 -3.47 116.57 113.90 1u1q h LYS 166 Ca -0.47 -0.52 -0.64 0.00 -1.27 0.00 0.00 60.65 57.75 1u1q h LYS 166 Cb 1.17 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 1u1q h LYS 166 CO 0.68 1.25 -0.72 0.71 -2.27 0.00 0.00 179.45 179.10 1u1q s TYR 167 N -2.47 2.73 -0.13 1.91 2.02 -1.26 -4.90 117.35 115.25 1u1q s TYR 167 Ca -0.16 -0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1u1q s TYR 167 Cb 0.03 -1.38 0.06 0.00 -0.40 0.00 0.00 41.96 40.27 1u1q s TYR 167 CO 0.82 0.47 0.29 -1.01 -1.57 0.00 0.00 175.55 174.55 1u1q s HIS 168 N -1.47 -0.45 -0.30 2.71 3.76 -1.26 -5.03 115.29 113.25 1u1q s HIS 168 Ca 0.24 1.01 -0.08 0.00 -0.15 0.00 0.00 55.06 56.08 1u1q s HIS 168 Cb -0.10 0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.64 1u1q s HIS 168 CO 0.15 -0.33 0.11 0.99 -0.85 0.00 0.00 174.74 174.81 1u1q s THR 169 N 2.00 4.29 -0.07 1.30 2.01 -1.26 -0.05 115.64 123.85 1u1q s THR 169 Ca -0.03 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1u1q s THR 169 Cb -0.11 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.23 1u1q s THR 169 CO -0.09 0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.07 1u1q s VAL 170 N 1.56 1.54 -1.40 3.82 1.01 0.05 -4.77 120.40 122.21 1u1q s VAL 170 Ca 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1u1q s VAL 170 Cb -0.17 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1u1q s VAL 170 CO 0.04 0.44 0.82 -3.20 0.00 0.00 0.00 175.10 173.21 1u1q n ASN 171 N 3.59 -2.73 0.00 3.32 5.15 -1.26 -2.07 115.26 121.26 1u1q n ASN 171 Ca -0.21 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1u1q n ASN 171 Cb 0.52 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1u1q n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1q n GLY 172 N -1.64 1.47 3.15 8.20 0.00 -1.26 -4.92 105.19 110.19 1u1q n GLY 172 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1u1q n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1q s HIS 173 N -3.14 0.82 0.53 1.61 3.76 -0.88 -5.09 115.29 112.90 1u1q s HIS 173 Ca 0.00 -1.08 -0.22 0.00 -0.15 0.00 0.00 55.06 53.61 1u1q s HIS 173 Cb 0.00 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 33.14 1u1q s HIS 173 CO 0.00 -0.35 1.33 1.21 -0.85 0.00 0.00 174.74 176.08 1u1q s ASN 174 N -3.03 5.43 0.07 1.40 3.84 -1.26 -0.77 114.94 120.63 1u1q s ASN 174 Ca 0.16 2.69 0.01 0.00 0.21 0.00 0.00 52.86 55.93 1u1q s ASN 174 Cb 0.07 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1u1q s ASN 174 CO -0.03 -1.45 -0.06 0.00 -2.79 0.00 0.00 177.10 172.77 1u1q s GLU 176 N -3.25 4.23 -0.08 0.00 2.12 -0.85 -3.99 118.70 116.88 1u1q s GLU 176 Ca 0.04 0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.87 1u1q s GLU 176 Cb 0.02 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 31.05 1u1q s GLU 176 CO -0.05 0.33 -0.16 0.08 -0.54 0.00 0.00 175.26 174.92 1u1q s VAL 177 N 0.06 1.45 0.18 3.70 1.01 -1.26 -0.60 120.40 124.93 1u1q s VAL 177 Ca 0.26 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1u1q s VAL 177 Cb -0.16 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1u1q s VAL 177 CO 0.12 0.43 0.01 -0.13 0.00 0.00 0.00 175.10 175.52 1u1q s ARG 178 N 0.64 1.12 0.43 2.72 0.52 -0.50 -4.84 118.95 119.05 1u1q s ARG 178 Ca -0.14 -1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 53.28 1u1q s ARG 178 Cb -0.16 -0.27 -0.08 0.00 0.52 0.00 0.00 34.95 34.96 1u1q s ARG 178 CO 0.04 -0.14 1.24 0.15 0.02 0.00 0.00 175.30 176.61 1u1q s LYS 179 N -3.92 3.84 -0.07 3.54 1.02 -1.26 -0.45 119.74 122.44 1u1q s LYS 179 Ca 0.25 1.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.92 1u1q s LYS 179 Cb 0.06 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1u1q s LYS 179 CO 0.04 -0.54 1.28 0.00 -0.92 0.00 0.00 175.35 175.21 1u1q s ALA 180 N -1.38 3.56 -0.01 5.17 0.00 -0.71 -4.57 121.76 123.82 1u1q s ALA 180 Ca 0.60 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1u1q s ALA 180 Cb -0.34 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1u1q s ALA 180 CO 0.42 -0.92 0.01 -0.51 0.00 0.00 0.00 175.76 174.77 1u1q s LEU 181 N 2.63 3.57 0.96 0.00 1.43 -1.26 -4.95 118.68 121.07 1u1q s LEU 181 Ca 0.58 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 1u1q s LEU 181 Cb -0.26 -2.03 0.17 0.00 0.03 0.00 0.00 46.19 44.10 1u1q s LEU 181 CO 0.21 0.29 1.15 -0.94 0.23 0.00 0.00 176.35 177.30 1u1q s SER 182 N -1.51 3.05 0.21 2.29 1.04 -1.26 -4.68 113.70 112.83 1u1q s SER 182 Ca 0.19 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.37 1u1q s SER 182 Cb -0.12 -1.32 0.28 0.00 0.10 0.00 0.00 66.02 64.96 1u1q s SER 182 CO 0.10 -2.83 1.71 0.50 0.98 0.00 0.00 173.24 173.70 1u1q h LYS 183 N -1.69 0.27 -0.35 4.02 3.64 -2.00 0.72 116.57 121.18 1u1q h LYS 183 Ca -0.49 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 1u1q h LYS 183 Cb 1.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1u1q h LYS 183 CO 0.55 0.18 -0.30 1.96 -2.27 0.00 0.00 179.45 179.57 1u1q h GLN 184 N 0.28 0.75 -0.67 1.90 4.20 -1.99 -2.39 115.11 117.18 1u1q h GLN 184 Ca 0.31 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1u1q h GLN 184 Cb 0.44 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1u1q h GLN 184 CO -0.38 0.95 0.23 0.93 -0.67 0.00 0.00 178.83 179.89 1u1q h GLU 185 N 0.64 1.00 -0.37 1.46 5.08 -1.41 0.55 114.58 121.53 1u1q h GLU 185 Ca 0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1u1q h GLU 185 Cb 0.82 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1u1q h GLU 185 CO 0.07 0.84 0.24 0.52 -1.00 0.00 0.00 179.01 179.68 1u1q h MET 186 N 0.98 0.49 -0.18 2.33 2.86 -0.81 -1.66 114.93 118.94 1u1q h MET 186 Ca 0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1u1q h MET 186 Cb 0.24 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1u1q h MET 186 CO -0.01 0.33 0.10 0.00 1.06 0.00 0.00 176.91 178.39 1u1q h ALA 187 N 1.13 0.23 -0.08 6.32 0.00 -0.90 -1.42 119.26 124.54 1u1q h ALA 187 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1u1q h ALA 187 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u1q h ALA 187 CO -0.03 -0.24 0.07 1.03 0.00 0.00 0.00 179.25 180.08 1u1q h SER 188 N 0.20 0.00 -0.36 0.00 0.87 -0.63 0.57 113.55 114.19 1u1q h SER 188 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1u1q h SER 188 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1u1q h SER 188 CO -0.01 0.00 0.02 0.00 -0.53 0.00 0.00 176.83 176.31 1u1q n ALA 189 N -2.47 3.39 -0.03 6.23 0.00 -0.56 -5.10 120.51 121.98 1u1q n ALA 189 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1u1q n ALA 189 Cb 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1u1q n ALA 189 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93