#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uad s LEU 12 N 0.00 3.64 0.60 1.04 1.43 -1.26 -5.00 118.68 119.13 1uad s LEU 12 Ca 0.00 1.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.59 1uad s LEU 12 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1uad s LEU 12 CO 0.00 -0.74 1.29 0.00 0.23 0.00 0.00 176.35 177.13 1uad s ALA 13 N -2.48 2.56 -0.19 4.21 0.00 -1.26 -4.81 121.76 119.79 1uad s ALA 13 Ca 0.61 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 1uad s ALA 13 Cb -0.12 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1uad s ALA 13 CO 0.30 -1.40 0.01 -1.17 0.00 0.00 0.00 175.76 173.50 1uad s LEU 14 N -4.01 1.40 -0.27 0.00 2.96 -1.26 -1.14 118.68 116.36 1uad s LEU 14 Ca 0.78 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 1uad s LEU 14 Cb -0.36 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1uad s LEU 14 CO 0.40 -0.28 0.16 -1.00 -1.32 0.00 0.00 176.35 174.31 1uad s HIS 15 N 1.77 3.19 -0.43 5.38 3.76 -0.41 -4.98 115.29 123.58 1uad s HIS 15 Ca -0.01 -0.00 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 1uad s HIS 15 Cb -0.17 -2.33 0.02 0.00 1.11 0.00 0.00 32.58 31.21 1uad s HIS 15 CO -0.07 -0.19 0.46 0.15 -0.85 0.00 0.00 174.74 174.24 1uad s LYS 16 N 1.66 3.11 -0.05 1.40 1.02 -1.26 -0.87 119.74 124.74 1uad s LYS 16 Ca 0.07 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 1uad s LYS 16 Cb -0.16 -3.98 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 1uad s LYS 16 CO 0.09 -0.89 0.09 0.08 -0.92 0.00 0.00 175.35 173.79 1uad s VAL 17 N 2.21 4.89 -0.08 3.17 1.01 0.12 -0.69 120.40 131.02 1uad s VAL 17 Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1uad s VAL 17 Cb -0.17 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1uad s VAL 17 CO 0.14 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.96 1uad s ILE 18 N -1.09 1.27 -0.17 2.22 1.01 -0.33 -1.01 121.20 123.10 1uad s ILE 18 Ca 0.19 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 1uad s ILE 18 Cb -0.12 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1uad s ILE 18 CO 0.09 0.39 0.75 -0.04 0.00 0.00 0.00 174.94 176.13 1uad s MET 19 N 0.84 4.28 0.10 2.79 -1.94 -0.13 -1.43 119.30 123.80 1uad s MET 19 Ca -0.11 0.87 0.05 0.00 -1.71 0.00 0.00 55.69 54.79 1uad s MET 19 Cb -0.15 -3.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.09 1uad s MET 19 CO 0.01 -0.27 -0.13 0.14 -0.01 0.00 0.00 175.02 174.77 1uad s VAL 20 N 1.96 1.14 0.00 -6.03 -7.23 -0.64 -3.59 120.40 106.01 1uad s VAL 20 Ca 0.35 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1uad s VAL 20 Cb -0.16 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1uad s VAL 20 CO 0.12 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1uad n GLY 21 N 0.75 3.42 3.56 2.32 0.00 -1.26 -0.47 105.19 113.51 1uad n GLY 21 Ca -0.17 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1uad n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uad n SER 22 N 0.00 -0.76 -4.77 1.61 7.64 -1.26 -4.17 113.62 111.91 1uad n SER 22 Ca 0.00 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.62 1uad n SER 22 Cb 0.00 -1.36 -0.00 0.00 -1.01 0.00 0.00 64.21 61.84 1uad n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uad s GLY 23 N -2.49 2.92 0.00 0.23 0.00 -1.26 -3.17 107.32 103.56 1uad s GLY 23 Ca 0.67 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.64 1uad s GLY 23 CO 0.62 1.83 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1uad n GLY 24 N 0.66 0.37 0.23 0.20 0.00 -1.26 -4.87 105.19 100.51 1uad n GLY 24 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1uad n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uad h VAL 25 N 0.00 0.31 0.00 1.61 -1.51 -1.92 -3.47 116.25 111.27 1uad h VAL 25 Ca 0.00 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1uad h VAL 25 Cb 0.31 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1uad h VAL 25 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1uad n GLY 26 N 0.45 1.87 0.17 5.19 0.00 -1.26 -4.49 105.19 107.12 1uad n GLY 26 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1uad n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uad h LYS 27 N 0.00 0.50 -0.24 1.61 1.57 -1.91 -1.61 116.57 116.49 1uad h LYS 27 Ca 0.00 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1uad h LYS 27 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1uad h LYS 27 CO 0.00 0.41 -0.43 0.77 -0.57 0.00 0.00 179.45 179.63 1uad h SER 28 N 0.46 0.80 -0.72 0.86 0.02 -1.96 -2.40 113.55 110.61 1uad h SER 28 Ca 0.13 -0.54 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1uad h SER 28 Cb 0.06 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1uad h SER 28 CO -0.02 1.18 0.47 0.00 -1.14 0.00 0.00 176.83 177.32 1uad h ALA 29 N 0.64 0.92 -0.48 3.77 0.00 -1.95 0.15 119.26 122.30 1uad h ALA 29 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1uad h ALA 29 Cb 1.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uad h ALA 29 CO 0.10 0.31 0.23 -0.07 0.00 0.00 0.00 179.25 179.82 1uad h LEU 30 N 0.96 0.63 -0.19 0.00 3.38 -1.29 -1.17 115.31 117.64 1uad h LEU 30 Ca 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uad h LEU 30 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1uad h LEU 30 CO -0.07 0.59 0.11 0.74 0.09 0.00 0.00 178.44 179.90 1uad h THR 31 N 0.63 1.10 -0.03 0.22 2.02 -0.83 -1.44 112.91 114.57 1uad h THR 31 Ca 0.16 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 1uad h THR 31 Cb 0.13 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1uad h THR 31 CO -0.02 0.09 -0.51 -0.07 0.37 0.00 0.00 175.52 175.38 1uad h LEU 32 N 0.21 0.08 -0.17 2.58 3.38 -0.66 0.19 115.31 120.92 1uad h LEU 32 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1uad h LEU 32 Cb 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1uad h LEU 32 CO -0.01 0.58 -0.10 -0.61 0.09 0.00 0.00 178.44 178.39 1uad h GLN 33 N 0.06 0.37 -0.40 1.13 5.75 -1.07 0.20 115.11 121.15 1uad h GLN 33 Ca -0.00 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 1uad h GLN 33 Cb 0.93 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 1uad h GLN 33 CO 0.07 0.70 0.11 0.35 -2.65 0.00 0.00 178.83 177.41 1uad h PHE 34 N 0.04 0.67 0.04 3.99 3.57 -1.02 0.23 116.94 124.46 1uad h PHE 34 Ca 0.04 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1uad h PHE 34 Cb 0.60 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1uad h PHE 34 CO 0.07 0.63 -0.02 0.52 -2.23 0.00 0.00 178.31 177.28 1uad h MET 35 N 0.51 -0.06 -0.02 1.11 2.86 -0.61 -3.40 114.93 115.32 1uad h MET 35 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1uad h MET 35 Cb 0.29 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1uad h MET 35 CO -0.00 0.52 0.00 0.66 1.06 0.00 0.00 176.91 179.15 1uad n TYR 36 N -4.82 0.04 -3.71 -0.22 4.02 0.68 -5.01 117.16 108.15 1uad n TYR 36 Ca -0.09 -0.67 -0.27 0.00 -0.01 0.00 0.00 57.90 56.85 1uad n TYR 36 Cb 0.30 -0.09 0.04 0.00 -0.02 0.00 0.00 39.34 39.57 1uad n TYR 36 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uad n ASP 37 N -0.77 -5.26 -4.26 7.72 9.92 0.07 -4.95 116.55 119.01 1uad n ASP 37 Ca 0.06 -0.64 -0.16 0.00 -0.53 0.00 0.00 54.79 53.52 1uad n ASP 37 Cb 0.40 -4.20 -0.10 0.00 -0.64 0.00 0.00 41.12 36.58 1uad n ASP 37 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1uad s GLU 38 N -6.41 1.10 -0.16 -1.24 -1.05 -1.22 -4.98 118.70 104.73 1uad s GLU 38 Ca 0.59 -1.42 -0.07 0.00 -0.15 0.00 0.00 54.97 53.92 1uad s GLU 38 Cb -0.29 -0.79 0.07 0.00 -0.44 0.00 0.00 34.13 32.68 1uad s GLU 38 CO 0.73 0.12 0.37 0.12 0.95 0.00 0.00 175.26 177.55 1uad s PHE 39 N -2.93 -0.59 -0.04 4.83 5.36 -1.26 -3.14 117.98 120.21 1uad s PHE 39 Ca 0.16 1.24 -0.02 0.00 -0.96 0.00 0.00 56.93 57.35 1uad s PHE 39 Cb -0.00 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.91 1uad s PHE 39 CO 0.02 -0.37 0.06 0.08 -1.46 0.00 0.00 175.22 173.56 1uad s VAL 40 N 1.90 -0.10 -1.14 3.12 1.01 -1.26 -5.06 120.40 118.86 1uad s VAL 40 Ca -0.06 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 1uad s VAL 40 Cb -0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 1uad s VAL 40 CO -0.12 0.15 1.94 -1.83 0.00 0.00 0.00 175.10 175.25 1uad s GLU 41 N 1.82 2.46 -0.11 2.72 1.03 -1.26 -4.81 118.70 120.55 1uad s GLU 41 Ca 0.00 -1.01 -0.05 0.00 0.03 0.00 0.00 54.97 53.95 1uad s GLU 41 Cb -0.12 -5.21 0.05 0.00 -0.80 0.00 0.00 34.13 28.05 1uad s GLU 41 CO -0.03 -3.94 0.23 -0.51 -1.33 0.00 0.00 175.26 169.68 1uad s ASP 42 N 6.80 0.10 -0.63 0.83 1.11 -1.26 -5.12 116.67 118.50 1uad s ASP 42 Ca 0.69 0.50 -0.14 0.00 0.18 0.00 0.00 52.55 53.79 1uad s ASP 42 Cb -0.02 0.47 0.16 0.00 1.07 0.00 0.00 42.92 44.61 1uad s ASP 42 CO 0.11 -0.20 0.56 -0.47 1.18 0.00 0.00 175.17 176.36 1uad s TYR 43 N 1.79 3.45 -0.47 4.23 6.04 -1.26 -5.00 117.35 126.13 1uad s TYR 43 Ca -0.04 -1.67 -0.03 0.00 0.04 0.00 0.00 57.07 55.36 1uad s TYR 43 Cb -0.11 -3.74 0.12 0.00 -1.04 0.00 0.00 41.96 37.20 1uad s TYR 43 CO -0.08 -1.00 0.28 -1.21 -1.54 0.00 0.00 175.55 172.00 1uad s GLU 44 N 1.01 2.19 0.22 4.97 2.02 -1.26 -5.08 118.70 122.78 1uad s GLU 44 Ca 0.09 -2.00 -0.30 0.00 0.02 0.00 0.00 54.97 52.78 1uad s GLU 44 Cb -0.22 -3.66 -0.16 0.00 0.10 0.00 0.00 34.13 30.19 1uad s GLU 44 CO -0.02 -1.11 0.89 -2.30 0.02 0.00 0.00 175.26 172.74 1uad n PRO 45 N 4.33 0.80 -3.73 0.39 -0.02 -1.26 -4.96 135.00 130.55 1uad n PRO 45 Ca -0.00 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 1uad n PRO 45 Cb 0.40 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 1uad n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uad s THR 46 N -0.79 5.22 -0.02 3.45 2.01 -1.26 -5.02 115.64 119.22 1uad s THR 46 Ca 0.65 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1uad s THR 46 Cb -0.84 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.04 1uad s THR 46 CO 0.57 0.07 -0.05 0.29 -0.69 0.00 0.00 174.62 174.81 1uad n LYS 47 N 0.16 0.08 -3.26 4.92 4.76 -1.26 -4.02 118.16 119.53 1uad n LYS 47 Ca -0.03 0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1uad n LYS 47 Cb 0.52 -0.58 -0.02 0.00 -1.84 0.00 0.00 35.03 33.11 1uad n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uad s ALA 48 N -2.84 -2.81 0.09 7.82 0.00 -1.26 -2.93 121.76 119.83 1uad s ALA 48 Ca -0.04 1.79 0.10 0.00 0.00 0.00 0.00 51.96 53.81 1uad s ALA 48 Cb 0.01 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1uad s ALA 48 CO 0.06 -1.24 -0.26 -0.51 0.00 0.00 0.00 175.76 173.82 1uad s ASP 49 N 2.78 3.16 -0.04 0.00 1.01 0.06 -4.99 116.67 118.65 1uad s ASP 49 Ca 0.04 -0.67 0.07 0.00 0.71 0.00 0.00 52.55 52.70 1uad s ASP 49 Cb -0.10 -0.24 -0.01 0.00 1.01 0.00 0.00 42.92 43.57 1uad s ASP 49 CO -0.16 0.20 -0.25 -0.44 0.21 0.00 0.00 175.17 174.73 1uad s SER 50 N -1.68 3.00 0.04 0.27 0.01 -1.26 -0.76 113.70 113.32 1uad s SER 50 Ca 0.12 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1uad s SER 50 Cb -0.10 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1uad s SER 50 CO 0.04 0.27 -0.07 -0.31 0.41 0.00 0.00 173.24 173.58 1uad s TYR 51 N -0.33 0.62 -0.29 2.43 1.51 -0.48 -5.00 117.35 115.81 1uad s TYR 51 Ca 0.02 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 1uad s TYR 51 Cb -0.12 -0.38 0.11 0.00 -0.11 0.00 0.00 41.96 41.47 1uad s TYR 51 CO 0.02 -0.09 0.81 0.50 -1.11 0.00 0.00 175.55 175.68 1uad s ARG 52 N -1.53 0.55 0.25 -0.62 3.52 -1.26 -0.52 118.95 119.34 1uad s ARG 52 Ca -0.10 1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 56.31 1uad s ARG 52 Cb -0.10 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1uad s ARG 52 CO 0.00 -0.12 0.62 -1.59 -0.81 0.00 0.00 175.30 173.40 1uad s LYS 53 N 1.68 1.65 0.16 5.12 -2.85 -0.94 -5.00 119.74 119.55 1uad s LYS 53 Ca -0.09 -1.02 -0.28 0.00 -1.00 0.00 0.00 55.97 53.59 1uad s LYS 53 Cb -0.05 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 36.21 1uad s LYS 53 CO -0.18 -0.73 0.88 0.21 0.10 0.00 0.00 175.35 175.63 1uad s LYS 54 N -3.93 4.69 0.06 1.78 2.20 -1.26 -1.59 119.74 121.69 1uad s LYS 54 Ca 0.13 1.34 -0.06 0.00 -0.36 0.00 0.00 55.97 57.02 1uad s LYS 54 Cb -0.04 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1uad s LYS 54 CO 0.05 0.41 0.10 0.14 -0.36 0.00 0.00 175.35 175.69 1uad s VAL 55 N -0.68 0.16 -0.29 4.02 -7.23 -0.40 -4.94 120.40 111.03 1uad s VAL 55 Ca 0.41 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 59.21 1uad s VAL 55 Cb -0.24 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 1uad s VAL 55 CO 0.29 -0.71 0.14 -0.69 -0.31 0.00 0.00 175.10 173.82 1uad s VAL 56 N -3.29 4.69 -0.32 1.32 1.01 -1.26 -0.93 120.40 121.62 1uad s VAL 56 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1uad s VAL 56 Cb 0.03 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1uad s VAL 56 CO -0.08 0.16 0.07 -0.22 0.00 0.00 0.00 175.10 175.03 1uad s LEU 57 N 1.65 4.06 -1.38 3.92 2.96 0.70 -4.60 118.68 125.99 1uad s LEU 57 Ca 0.06 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.87 1uad s LEU 57 Cb -0.16 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1uad s LEU 57 CO 0.07 -0.27 0.68 0.47 -1.32 0.00 0.00 176.35 175.98 1uad n ASP 58 N 4.77 -1.63 0.00 3.68 8.00 -1.26 -1.24 116.55 128.87 1uad n ASP 58 Ca -0.13 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1uad n ASP 58 Cb 0.45 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1uad n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uad n GLY 59 N -1.69 2.91 3.71 0.44 0.00 -1.26 -5.00 105.19 104.31 1uad n GLY 59 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1uad n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uad s GLU 60 N 0.00 4.16 0.03 1.61 0.41 -0.37 -5.04 118.70 119.49 1uad s GLU 60 Ca 0.00 -0.23 -0.30 0.00 -0.41 0.00 0.00 54.97 54.02 1uad s GLU 60 Cb 0.00 -3.45 -0.05 0.00 -1.78 0.00 0.00 34.13 28.85 1uad s GLU 60 CO 0.00 0.24 1.23 -1.21 -0.49 0.00 0.00 175.26 175.03 1uad s GLU 61 N 0.53 4.39 0.30 1.61 2.02 -1.26 -0.22 118.70 126.07 1uad s GLU 61 Ca 0.08 1.78 0.04 0.00 0.02 0.00 0.00 54.97 56.89 1uad s GLU 61 Cb -0.12 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 1uad s GLU 61 CO -0.00 -0.34 0.31 1.33 0.02 0.00 0.00 175.26 176.57 1uad n VAL 62 N 4.16 0.00 -4.95 2.63 0.24 -0.10 -4.62 118.33 115.68 1uad n VAL 62 Ca 0.10 -1.93 -0.28 0.00 -2.04 0.00 0.00 64.34 60.19 1uad n VAL 62 Cb 0.46 1.03 -0.16 0.00 -1.47 0.00 0.00 33.84 33.69 1uad n VAL 62 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1uad s GLN 63 N -3.01 2.07 -0.09 7.34 -0.21 -0.30 -1.27 119.66 124.19 1uad s GLN 63 Ca 0.32 -0.69 -0.00 0.00 0.02 0.00 0.00 55.36 55.00 1uad s GLN 63 Cb 0.01 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 1uad s GLN 63 CO 0.22 0.25 -0.06 -1.50 -2.12 0.00 0.00 175.29 172.09 1uad s ILE 64 N 0.06 3.73 -0.10 1.08 2.07 -0.62 -1.29 121.20 126.14 1uad s ILE 64 Ca -0.06 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 1uad s ILE 64 Cb -0.13 -2.56 -0.01 0.00 0.13 0.00 0.00 42.46 39.89 1uad s ILE 64 CO 0.03 0.57 -0.19 -0.62 -1.91 0.00 0.00 174.94 172.82 1uad s ASP 65 N -0.44 3.52 -0.11 4.50 -1.08 -0.05 -2.22 116.67 120.79 1uad s ASP 65 Ca 0.07 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.69 1uad s ASP 65 Cb -0.12 -1.33 0.01 0.00 -1.46 0.00 0.00 42.92 40.02 1uad s ASP 65 CO 0.02 0.20 -0.17 -0.63 0.52 0.00 0.00 175.17 175.11 1uad s ILE 66 N 0.15 1.60 -0.31 4.11 1.01 0.32 0.11 121.20 128.18 1uad s ILE 66 Ca -0.10 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1uad s ILE 66 Cb -0.16 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1uad s ILE 66 CO 0.06 0.46 0.16 -0.22 0.00 0.00 0.00 174.94 175.40 1uad s LEU 67 N 0.91 4.16 -0.35 2.97 2.96 -0.18 -1.38 118.68 127.76 1uad s LEU 67 Ca -0.08 -0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 53.16 1uad s LEU 67 Cb -0.15 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1uad s LEU 67 CO -0.01 -0.20 0.32 -0.62 -1.32 0.00 0.00 176.35 174.51 1uad s ASP 68 N 1.62 6.13 0.49 3.68 2.15 0.07 -0.96 116.67 129.85 1uad s ASP 68 Ca 0.05 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 52.72 1uad s ASP 68 Cb -0.17 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1uad s ASP 68 CO 0.07 -0.32 0.59 0.42 -0.17 0.00 0.00 175.17 175.75 1uad s THR 69 N 1.88 2.47 0.28 1.71 -4.23 -1.24 -0.76 115.64 115.76 1uad s THR 69 Ca 0.09 -1.12 -0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1uad s THR 69 Cb -0.17 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.98 1uad s THR 69 CO 0.11 0.00 0.86 0.00 -0.54 0.00 0.00 174.62 175.05 1uad s ALA 70 N -2.53 3.30 -0.02 3.99 0.00 -1.15 -4.78 121.76 120.57 1uad s ALA 70 Ca 0.54 0.39 0.22 0.00 0.00 0.00 0.00 51.96 53.11 1uad s ALA 70 Cb -0.06 -3.04 0.66 0.00 0.00 0.00 0.00 23.12 20.68 1uad s ALA 70 CO 0.33 0.24 1.71 0.78 0.00 0.00 0.00 175.76 178.82 1uad h GLY 71 N 3.35 0.00 -6.64 0.00 0.00 -1.80 -3.44 103.07 94.54 1uad h GLY 71 Ca -0.47 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.28 1uad h GLY 71 CO 0.65 0.00 1.28 -0.86 0.00 0.00 0.00 176.54 177.61 1uad s GLN 72 N -3.42 3.44 -0.01 4.80 -2.07 -1.26 -4.05 119.66 117.09 1uad s GLN 72 Ca 0.02 1.66 0.02 0.00 -1.82 0.00 0.00 55.36 55.24 1uad s GLN 72 Cb 0.09 -4.19 0.06 0.00 -1.09 0.00 0.00 33.01 27.88 1uad s GLN 72 CO 0.66 -1.73 0.89 0.39 -1.32 0.00 0.00 175.29 174.18 1uad n GLU 73 N 8.28 1.22 -0.10 9.60 4.71 -1.26 -4.15 120.64 138.94 1uad n GLU 73 Ca 0.23 -0.25 -0.06 0.00 -0.01 0.00 0.00 57.16 57.08 1uad n GLU 73 Cb 0.46 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.65 1uad n GLU 73 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1uad h ASP 74 N 0.36 -0.34 -3.57 1.62 3.32 -1.97 -3.40 116.42 112.44 1uad h ASP 74 Ca 0.00 0.10 -0.52 0.00 0.02 0.00 0.00 57.03 56.64 1uad h ASP 74 Cb 0.29 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1uad h ASP 74 CO 0.02 -0.12 0.24 -0.31 -1.72 0.00 0.00 179.24 177.34 1uad s TYR 75 N -6.21 3.91 -0.02 4.55 2.02 -1.26 -4.98 117.35 115.35 1uad s TYR 75 Ca -0.14 1.70 -0.05 0.00 -0.37 0.00 0.00 57.07 58.22 1uad s TYR 75 Cb 0.13 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1uad s TYR 75 CO 0.70 0.45 -0.11 0.00 -1.57 0.00 0.00 175.55 175.03 1uad n ALA 76 N 1.78 2.38 0.30 3.71 0.00 -1.26 -4.51 120.51 122.91 1uad n ALA 76 Ca -0.04 -0.28 0.18 0.00 0.00 0.00 0.00 53.44 53.30 1uad n ALA 76 Cb 0.48 0.25 0.96 0.00 0.00 0.00 0.00 19.45 21.15 1uad n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uad h ALA 77 N -0.31 1.19 -0.21 0.00 0.00 -1.98 -1.72 119.26 116.23 1uad h ALA 77 Ca -0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1uad h ALA 77 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1uad h ALA 77 CO -0.05 0.04 -0.63 0.82 0.00 0.00 0.00 179.25 179.44 1uad h ILE 78 N 0.00 1.30 -0.63 0.00 2.04 -2.00 -3.13 117.51 115.08 1uad h ILE 78 Ca -0.00 -1.85 0.01 0.00 1.00 0.00 0.00 64.86 64.01 1uad h ILE 78 Cb 0.15 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1uad h ILE 78 CO 0.00 0.59 0.42 0.03 0.00 0.00 0.00 178.15 179.19 1uad h ARG 79 N 0.54 0.84 -0.66 2.37 2.47 -1.54 -2.70 114.38 115.69 1uad h ARG 79 Ca -0.01 -0.05 0.13 0.00 -1.26 0.00 0.00 59.98 58.79 1uad h ARG 79 Cb 1.22 -0.19 -0.09 0.00 -1.65 0.00 0.00 29.97 29.26 1uad h ARG 79 CO 0.13 0.56 0.18 -0.44 0.56 0.00 0.00 179.97 180.95 1uad h ASP 80 N 0.86 0.07 -0.20 7.04 5.19 -1.48 0.20 116.42 128.10 1uad h ASP 80 Ca 0.23 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1uad h ASP 80 Cb -0.09 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1uad h ASP 80 CO -0.05 0.02 -0.00 0.78 -3.12 0.00 0.00 179.24 176.87 1uad h ASN 81 N 0.30 0.35 0.44 6.45 2.35 -1.51 -1.50 115.58 122.47 1uad h ASN 81 Ca 0.36 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1uad h ASN 81 Cb 0.55 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1uad h ASN 81 CO -0.43 0.57 -0.36 1.88 -1.65 0.00 0.00 177.43 177.44 1uad h TYR 82 N 0.11 -0.97 -0.72 1.19 0.99 -1.10 -2.80 116.97 113.67 1uad h TYR 82 Ca 0.06 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.93 1uad h TYR 82 Cb 0.39 0.37 -0.10 0.00 1.00 0.00 0.00 36.73 38.40 1uad h TYR 82 CO 0.03 -0.52 0.24 0.74 -0.00 0.00 0.00 178.16 178.65 1uad h PHE 83 N -0.80 0.40 0.00 4.88 0.05 -0.61 -0.66 116.94 120.19 1uad h PHE 83 Ca -0.04 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 1uad h PHE 83 Cb 0.69 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.57 1uad h PHE 83 CO -0.17 0.01 -0.04 0.07 -0.18 0.00 0.00 178.31 178.00 1uad h ARG 84 N 0.37 0.00 0.00 1.51 0.11 -1.08 -2.01 114.38 113.27 1uad h ARG 84 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1uad h ARG 84 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1uad h ARG 84 CO -0.43 0.04 -0.22 -1.13 0.10 0.00 0.00 179.97 178.33 1uad n SER 85 N -3.23 0.26 -4.89 0.08 3.41 -0.27 -4.88 113.62 104.10 1uad n SER 85 Ca -0.01 0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.50 1uad n SER 85 Cb 0.23 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1uad n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uad s GLY 86 N -3.06 2.12 -0.02 5.00 0.00 -0.76 -4.93 107.32 105.67 1uad s GLY 86 Ca 0.12 -0.47 0.16 0.00 0.00 0.00 0.00 44.72 44.53 1uad s GLY 86 CO 0.61 -0.37 0.35 1.18 0.00 0.00 0.00 173.10 174.87 1uad n GLU 87 N -0.32 0.51 -3.73 2.90 1.02 0.13 -5.01 120.64 116.15 1uad n GLU 87 Ca -0.01 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 1uad n GLU 87 Cb 0.53 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 1uad n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1uad s GLY 88 N -3.87 -0.18 -0.02 0.62 0.00 -0.69 -4.11 107.32 99.07 1uad s GLY 88 Ca -0.06 0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1uad s GLY 88 CO 0.67 -0.02 -0.12 -1.36 0.00 0.00 0.00 173.10 172.27 1uad s PHE 89 N -2.16 1.08 -0.39 1.90 0.40 -0.60 -1.19 117.98 117.02 1uad s PHE 89 Ca -0.08 -0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1uad s PHE 89 Cb -0.02 -0.71 0.08 0.00 0.51 0.00 0.00 43.02 42.87 1uad s PHE 89 CO -0.01 -0.05 0.20 -0.51 0.70 0.00 0.00 175.22 175.56 1uad s LEU 90 N -0.15 4.93 -0.62 -0.37 1.43 -0.52 -1.91 118.68 121.47 1uad s LEU 90 Ca 0.02 -1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 51.38 1uad s LEU 90 Cb -0.06 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.31 1uad s LEU 90 CO -0.00 -0.48 0.92 0.00 0.23 0.00 0.00 176.35 177.02 1uad s VAL 92 N 3.88 5.36 0.16 0.00 1.01 0.39 -0.35 120.40 130.84 1uad s VAL 92 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1uad s VAL 92 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1uad s VAL 92 CO 0.13 0.45 0.21 0.72 0.00 0.00 0.00 175.10 176.61 1uad s PHE 93 N -1.18 0.57 -0.13 5.22 -0.71 -0.54 -4.08 117.98 117.13 1uad s PHE 93 Ca 0.22 -0.93 -0.07 0.00 -1.04 0.00 0.00 56.93 55.11 1uad s PHE 93 Cb -0.12 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.44 1uad s PHE 93 CO 0.12 -0.66 0.11 0.45 -1.34 0.00 0.00 175.22 173.90 1uad s SER 94 N -3.00 6.15 0.17 1.98 0.15 -1.26 -0.59 113.70 117.29 1uad s SER 94 Ca 0.20 0.37 0.21 0.00 0.70 0.00 0.00 55.95 57.42 1uad s SER 94 Cb 0.05 -1.98 0.86 0.00 -1.71 0.00 0.00 66.02 63.24 1uad s SER 94 CO 0.01 0.36 1.63 2.30 1.20 0.00 0.00 173.24 178.75 1uad n ILE 95 N 2.30 0.86 1.08 6.45 -5.35 -0.70 -2.33 119.36 121.68 1uad n ILE 95 Ca -0.19 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 1uad n ILE 95 Cb 0.54 -1.08 0.22 0.00 -1.74 0.00 0.00 39.64 37.58 1uad n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1uad n THR 96 N -1.98 0.04 -3.55 7.28 -2.24 -1.26 0.76 114.28 113.32 1uad n THR 96 Ca 0.03 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 1uad n THR 96 Cb 0.22 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.51 1uad n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1uad s GLU 97 N -1.96 0.74 0.50 -0.78 2.12 -0.98 -4.50 118.70 113.83 1uad s GLU 97 Ca 0.31 -1.44 0.31 0.00 0.36 0.00 0.00 54.97 54.51 1uad s GLU 97 Cb 0.20 -1.62 1.42 0.00 0.26 0.00 0.00 34.13 34.40 1uad s GLU 97 CO 0.31 -1.17 1.80 1.98 -0.54 0.00 0.00 175.26 177.64 1uad h MET 98 N 7.11 0.10 -0.30 4.30 1.85 -1.84 0.21 114.93 126.36 1uad h MET 98 Ca 0.01 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1uad h MET 98 Cb 0.96 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.94 1uad h MET 98 CO 0.35 0.07 0.12 0.93 -0.40 0.00 0.00 176.91 177.98 1uad h GLU 99 N 0.11 0.25 -0.51 0.39 5.08 -1.94 -1.48 114.58 116.49 1uad h GLU 99 Ca 0.56 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1uad h GLU 99 Cb 2.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.18 1uad h GLU 99 CO -0.09 0.17 0.27 0.66 -1.00 0.00 0.00 179.01 179.02 1uad h SER 100 N 0.26 0.62 -0.23 1.42 4.64 -1.28 -1.95 113.55 117.03 1uad h SER 100 Ca 0.13 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1uad h SER 100 Cb 0.09 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1uad h SER 100 CO -0.12 0.50 -0.01 0.15 -0.87 0.00 0.00 176.83 176.48 1uad h PHE 101 N 0.70 0.45 0.00 4.77 3.57 -1.29 -2.81 116.94 122.34 1uad h PHE 101 Ca 0.18 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1uad h PHE 101 Cb 0.03 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1uad h PHE 101 CO 0.00 0.60 -0.16 0.00 -2.23 0.00 0.00 178.31 176.53 1uad h ALA 102 N 0.79 1.51 0.00 2.41 0.00 -0.95 -2.23 119.26 120.79 1uad h ALA 102 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1uad h ALA 102 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1uad h ALA 102 CO 0.01 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.30 1uad h ALA 103 N 1.84 1.04 -0.72 0.00 0.00 -1.10 -3.22 119.26 117.10 1uad h ALA 103 Ca -0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1uad h ALA 103 Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1uad h ALA 103 CO 0.02 0.21 0.47 1.79 0.00 0.00 0.00 179.25 181.74 1uad h THR 104 N 0.00 1.06 -0.83 0.00 1.35 -1.29 -2.04 112.91 111.16 1uad h THR 104 Ca -0.00 -0.27 0.10 0.00 -0.55 0.00 0.00 66.41 65.68 1uad h THR 104 Cb 0.66 0.19 -0.07 0.00 -1.73 0.00 0.00 68.15 67.19 1uad h THR 104 CO 0.02 0.15 0.47 0.00 -0.25 0.00 0.00 175.52 175.91 1uad h ALA 105 N 1.60 1.18 0.62 6.62 0.00 -1.73 -0.49 119.26 127.05 1uad h ALA 105 Ca 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1uad h ALA 105 Cb 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1uad h ALA 105 CO -0.09 0.09 -0.30 -0.44 0.00 0.00 0.00 179.25 178.51 1uad h ASP 106 N 0.79 -0.70 -0.40 0.00 3.32 -1.58 -1.97 116.42 115.88 1uad h ASP 106 Ca 0.40 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.54 1uad h ASP 106 Cb 0.37 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 1uad h ASP 106 CO -0.25 -0.47 -0.24 -0.26 -1.72 0.00 0.00 179.24 176.30 1uad h PHE 107 N -0.88 -0.62 -0.79 4.55 0.04 -1.29 -0.53 116.94 117.42 1uad h PHE 107 Ca -0.08 0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.81 1uad h PHE 107 Cb 0.65 0.33 -0.06 0.00 2.20 0.00 0.00 35.95 39.07 1uad h PHE 107 CO -0.02 -0.31 0.47 -0.09 -0.60 0.00 0.00 178.31 177.75 1uad h ARG 108 N -0.17 0.80 -0.28 1.51 2.43 -1.02 0.51 114.38 118.16 1uad h ARG 108 Ca 0.19 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1uad h ARG 108 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1uad h ARG 108 CO -0.50 0.53 0.14 0.93 -1.51 0.00 0.00 179.97 179.57 1uad h GLU 109 N 0.83 0.40 -0.32 0.20 4.39 -0.41 -0.14 114.58 119.54 1uad h GLU 109 Ca 0.36 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1uad h GLU 109 Cb 0.24 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1uad h GLU 109 CO -0.20 0.37 0.01 0.37 -1.16 0.00 0.00 179.01 178.40 1uad h GLN 110 N 0.33 0.48 0.28 2.33 4.15 -0.52 -2.39 115.11 119.77 1uad h GLN 110 Ca 0.10 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1uad h GLN 110 Cb 0.09 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1uad h GLN 110 CO -0.01 0.50 -0.13 0.82 -1.93 0.00 0.00 178.83 178.07 1uad h ILE 111 N 0.46 0.70 -0.79 2.39 2.04 -0.45 -3.00 117.51 118.86 1uad h ILE 111 Ca 0.10 -0.74 0.12 0.00 1.00 0.00 0.00 64.86 65.34 1uad h ILE 111 Cb 0.29 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1uad h ILE 111 CO 0.01 0.14 0.52 -0.07 0.00 0.00 0.00 178.15 178.74 1uad h LEU 112 N -0.81 0.58 0.72 1.44 3.38 -0.97 -1.73 115.31 117.93 1uad h LEU 112 Ca -0.04 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1uad h LEU 112 Cb 0.51 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1uad h LEU 112 CO 0.06 0.33 -0.35 -0.09 0.09 0.00 0.00 178.44 178.48 1uad h ARG 113 N 0.64 -0.94 -0.69 1.13 2.43 -1.44 0.15 114.38 115.66 1uad h ARG 113 Ca 0.38 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.66 1uad h ARG 113 Cb 0.59 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1uad h ARG 113 CO -0.15 -0.60 0.41 0.28 -1.51 0.00 0.00 179.97 178.41 1uad h VAL 114 N -1.13 1.03 0.00 0.20 2.07 -1.36 -2.05 116.25 115.01 1uad h VAL 114 Ca -0.10 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1uad h VAL 114 Cb 0.77 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1uad h VAL 114 CO 0.16 0.14 -0.20 0.11 0.02 0.00 0.00 177.57 177.80 1uad h LYS 115 N 0.78 0.00 -5.99 1.57 1.79 -1.34 -3.47 116.57 109.91 1uad h LYS 115 Ca 0.30 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.36 1uad h LYS 115 Cb 0.12 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.84 1uad h LYS 115 CO -0.15 0.20 -0.77 0.39 -1.08 0.00 0.00 179.45 178.04 1uad n GLU 116 N -3.23 -6.03 -3.58 3.15 1.02 0.52 -4.98 120.64 107.52 1uad n GLU 116 Ca 0.02 0.71 -0.02 0.00 -0.02 0.00 0.00 57.16 57.85 1uad n GLU 116 Cb 0.51 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.34 1uad n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1uad s ASP 117 N -3.94 -0.98 0.38 1.62 3.68 -1.15 -5.02 116.67 111.25 1uad s ASP 117 Ca 0.25 1.34 0.26 0.00 2.13 0.00 0.00 52.55 56.54 1uad s ASP 117 Cb -0.12 2.09 0.73 0.00 -1.45 0.00 0.00 42.92 44.17 1uad s ASP 117 CO 0.78 -0.23 1.74 -0.33 0.13 0.00 0.00 175.17 177.26 1uad h GLU 118 N 8.04 0.00 -0.76 4.34 5.08 -1.94 -3.20 114.58 126.14 1uad h GLU 118 Ca -0.18 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.81 1uad h GLU 118 Cb 1.11 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.14 1uad h GLU 118 CO 0.13 0.00 0.38 -1.71 -1.00 0.00 0.00 179.01 176.81 1uad n ASN 119 N -2.77 3.53 -4.76 1.42 4.05 -1.26 -5.01 115.26 110.47 1uad n ASN 119 Ca 0.04 -3.59 -0.41 0.00 0.45 0.00 0.00 54.58 51.06 1uad n ASN 119 Cb 0.43 -0.76 -0.02 0.00 1.23 0.00 0.00 39.78 40.65 1uad n ASN 119 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1uad s VAL 120 N -3.23 2.81 -0.26 3.44 0.11 -1.21 -4.86 120.40 117.20 1uad s VAL 120 Ca 0.53 0.75 -0.42 0.00 -2.93 0.00 0.00 61.98 59.91 1uad s VAL 120 Cb 0.45 -3.48 -0.18 0.00 -1.53 0.00 0.00 36.38 31.64 1uad s VAL 120 CO 0.08 0.16 1.51 -2.65 -3.33 0.00 0.00 175.10 170.86 1uad n PRO 121 N 1.44 0.51 -3.64 1.54 -0.02 -1.26 -4.90 135.00 128.68 1uad n PRO 121 Ca 0.02 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1uad n PRO 121 Cb 0.42 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 1uad n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uad s PHE 122 N 2.25 -0.82 -0.02 6.00 5.36 -1.26 -1.55 117.98 127.94 1uad s PHE 122 Ca 0.98 1.92 0.02 0.00 -0.96 0.00 0.00 56.93 58.89 1uad s PHE 122 Cb -1.25 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 1uad s PHE 122 CO 0.67 -0.40 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.45 1uad s LEU 123 N 0.61 1.84 -0.19 6.12 1.02 -0.80 -4.28 118.68 122.99 1uad s LEU 123 Ca -0.02 -0.16 -0.19 0.00 0.02 0.00 0.00 54.13 53.79 1uad s LEU 123 Cb -0.05 -0.46 -0.03 0.00 0.02 0.00 0.00 46.19 45.67 1uad s LEU 123 CO -0.03 0.06 0.53 -0.22 0.02 0.00 0.00 176.35 176.71 1uad s LEU 124 N 0.10 4.15 -0.18 1.79 2.96 -0.55 -1.02 118.68 125.94 1uad s LEU 124 Ca -0.01 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1uad s LEU 124 Cb -0.07 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.92 1uad s LEU 124 CO 0.00 -0.18 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.97 1uad s VAL 125 N 1.59 2.02 -0.59 1.68 1.01 0.52 -1.60 120.40 125.03 1uad s VAL 125 Ca 0.25 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1uad s VAL 125 Cb -0.15 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.52 1uad s VAL 125 CO 0.10 0.53 0.62 -0.83 0.00 0.00 0.00 175.10 175.51 1uad s GLY 126 N 1.31 1.99 0.60 4.51 0.00 -0.15 -1.47 107.32 114.11 1uad s GLY 126 Ca 0.05 -2.47 -0.05 0.00 0.00 0.00 0.00 44.72 42.25 1uad s GLY 126 CO -0.13 1.38 0.90 0.21 0.00 0.00 0.00 173.10 175.47 1uad s ASN 127 N 3.52 5.39 -0.41 1.64 2.47 0.24 -0.97 114.94 126.83 1uad s ASN 127 Ca 0.08 0.56 -0.01 0.00 0.42 0.00 0.00 52.86 53.91 1uad s ASN 127 Cb -0.26 -1.47 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 1uad s ASN 127 CO 0.03 -1.17 0.13 0.29 -3.72 0.00 0.00 177.10 172.66 1uad n LYS 128 N -2.61 -1.10 0.31 0.43 5.02 -0.21 -1.72 118.16 118.29 1uad n LYS 128 Ca 0.05 0.24 0.19 0.00 -2.02 0.00 0.00 58.31 56.77 1uad n LYS 128 Cb 0.58 -3.75 1.07 0.00 -0.02 0.00 0.00 35.03 32.91 1uad n LYS 128 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1uad h SER 129 N -0.29 0.00 0.66 4.39 4.64 -1.13 -0.97 113.55 120.84 1uad h SER 129 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1uad h SER 129 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1uad h SER 129 CO 0.15 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.21 1uad n ASP 130 N -3.38 0.31 -2.82 4.97 5.75 -1.26 -3.25 116.55 116.88 1uad n ASP 130 Ca -0.03 0.57 -0.37 0.00 -0.01 0.00 0.00 54.79 54.95 1uad n ASP 130 Cb 0.12 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 39.60 1uad n ASP 130 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uad n LEU 131 N -1.84 6.99 0.11 -2.12 4.77 -0.37 -4.74 117.00 119.79 1uad n LEU 131 Ca 0.03 -4.90 0.15 0.00 -0.03 0.00 0.00 56.01 51.26 1uad n LEU 131 Cb 0.21 -0.95 0.66 0.00 -2.33 0.00 0.00 43.42 41.02 1uad n LEU 131 CO 0.17 1.85 1.14 -0.08 -1.33 0.00 0.00 177.39 179.14 1uad h GLU 132 N 2.89 0.01 0.00 3.23 4.57 -1.77 -1.01 114.58 122.51 1uad h GLU 132 Ca 0.52 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1uad h GLU 132 Cb 0.22 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1uad h GLU 132 CO 1.33 0.01 -0.00 -0.44 -1.18 0.00 0.00 179.01 178.72 1uad h ASP 133 N 0.01 0.00 -0.28 1.04 5.19 -1.92 -2.38 116.42 118.08 1uad h ASP 133 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1uad h ASP 133 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1uad h ASP 133 CO -0.00 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.41 1uad n LYS 134 N -4.11 2.88 -1.69 3.56 5.02 -0.39 -5.03 118.16 118.39 1uad n LYS 134 Ca -0.03 -2.55 -0.44 0.00 -2.02 0.00 0.00 58.31 53.26 1uad n LYS 134 Cb 0.09 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1uad n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1uad n ARG 135 N -0.20 2.36 -0.00 1.97 0.63 -0.90 -4.33 116.66 116.19 1uad n ARG 135 Ca 0.18 0.85 0.01 0.00 -0.92 0.00 0.00 57.85 57.96 1uad n ARG 135 Cb 0.72 -2.61 -0.01 0.00 0.45 0.00 0.00 32.46 31.01 1uad n ARG 135 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1uad n GLN 136 N 3.03 0.52 -4.28 -0.14 6.02 0.23 -4.93 117.38 117.83 1uad n GLN 136 Ca 0.14 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.78 1uad n GLN 136 Cb 0.32 -1.00 -0.15 0.00 1.02 0.00 0.00 30.24 30.44 1uad n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uad s VAL 137 N -2.03 2.97 0.45 5.09 1.01 -0.72 -4.71 120.40 122.47 1uad s VAL 137 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1uad s VAL 137 Cb 0.01 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 1uad s VAL 137 CO 0.06 0.48 1.03 -0.94 0.00 0.00 0.00 175.10 175.73 1uad s SER 138 N 1.03 6.54 0.16 3.32 1.04 -1.26 -4.93 113.70 119.60 1uad s SER 138 Ca -0.01 1.93 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 1uad s SER 138 Cb -0.15 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.48 1uad s SER 138 CO -0.02 -0.64 1.77 0.58 0.98 0.00 0.00 173.24 175.90 1uad h VAL 139 N 1.78 0.94 -0.44 5.02 2.07 -1.99 -1.52 116.25 122.11 1uad h VAL 139 Ca -0.49 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 66.98 1uad h VAL 139 Cb 1.21 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1uad h VAL 139 CO 0.60 0.06 0.05 -0.08 0.02 0.00 0.00 177.57 178.23 1uad h GLU 140 N 0.35 0.17 -0.23 1.57 4.81 -1.99 0.18 114.58 119.44 1uad h GLU 140 Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1uad h GLU 140 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1uad h GLU 140 CO -0.15 0.11 0.14 1.49 -0.73 0.00 0.00 179.01 179.88 1uad h GLU 141 N 0.17 0.30 -0.37 1.92 4.81 -1.83 -1.47 114.58 118.11 1uad h GLU 141 Ca 0.22 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1uad h GLU 141 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1uad h GLU 141 CO -0.31 0.22 0.17 0.00 -0.73 0.00 0.00 179.01 178.36 1uad h ALA 142 N 1.06 0.48 -0.45 2.92 0.00 -0.69 -2.79 119.26 119.79 1uad h ALA 142 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1uad h ALA 142 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1uad h ALA 142 CO -0.02 0.05 0.25 0.87 0.00 0.00 0.00 179.25 180.40 1uad h LYS 143 N 0.46 0.48 -0.64 0.00 1.57 -0.47 -2.12 116.57 115.84 1uad h LYS 143 Ca 0.13 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1uad h LYS 143 Cb 0.13 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1uad h LYS 143 CO -0.01 0.32 0.37 -0.91 -0.57 0.00 0.00 179.45 178.65 1uad h ASN 144 N 0.49 0.58 -0.51 0.86 2.35 -1.14 -0.63 115.58 117.58 1uad h ASN 144 Ca 0.19 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1uad h ASN 144 Cb 0.06 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1uad h ASN 144 CO -0.11 0.39 0.10 -0.09 -1.65 0.00 0.00 177.43 176.08 1uad h ARG 145 N 0.71 0.89 -0.47 0.81 2.43 -1.23 -0.97 114.38 116.55 1uad h ARG 145 Ca 0.27 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1uad h ARG 145 Cb 0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1uad h ARG 145 CO -0.14 0.82 0.20 0.00 -1.51 0.00 0.00 179.97 179.34 1uad h ALA 146 N 1.27 0.60 -0.49 2.80 0.00 -0.68 -1.71 119.26 121.05 1uad h ALA 146 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1uad h ALA 146 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uad h ALA 146 CO 0.00 0.19 0.04 0.93 0.00 0.00 0.00 179.25 180.41 1uad h GLU 147 N 0.61 0.79 -0.49 0.00 5.08 -0.79 0.70 114.58 120.48 1uad h GLU 147 Ca 0.16 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1uad h GLU 147 Cb 0.16 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1uad h GLU 147 CO -0.02 0.77 -0.04 1.96 -1.00 0.00 0.00 179.01 180.68 1uad h GLN 148 N 0.74 0.84 -0.00 2.33 4.20 -0.85 -2.23 115.11 120.14 1uad h GLN 148 Ca 0.15 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1uad h GLN 148 Cb 0.40 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1uad h GLN 148 CO 0.01 0.87 -0.12 0.91 -0.67 0.00 0.00 178.83 179.83 1uad n TRP 149 N -4.19 0.00 -3.19 2.96 8.01 -0.67 -4.93 117.44 115.42 1uad n TRP 149 Ca 0.02 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.06 1uad n TRP 149 Cb 0.33 -0.38 0.07 0.00 -2.01 0.00 0.00 31.31 29.32 1uad n TRP 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1uad n ASN 150 N -1.40 -3.43 -4.11 -0.99 5.15 0.04 -5.03 115.26 105.49 1uad n ASN 150 Ca 0.09 -0.45 -0.11 0.00 -0.60 0.00 0.00 54.58 53.52 1uad n ASN 150 Cb 0.32 -3.99 -0.10 0.00 -0.53 0.00 0.00 39.78 35.48 1uad n ASN 150 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uad s VAL 151 N -3.26 0.53 0.45 3.44 -7.23 -0.05 -5.02 120.40 109.26 1uad s VAL 151 Ca 0.19 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1uad s VAL 151 Cb -0.08 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1uad s VAL 151 CO 0.55 -0.72 1.02 0.20 -0.31 0.00 0.00 175.10 175.84 1uad s ASN 152 N -2.48 6.59 -0.11 4.85 0.01 -1.26 -4.13 114.94 118.40 1uad s ASN 152 Ca 0.03 1.91 0.03 0.00 -0.71 0.00 0.00 52.86 54.12 1uad s ASN 152 Cb 0.00 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1uad s ASN 152 CO -0.04 -0.61 -0.20 -0.47 -1.51 0.00 0.00 177.10 174.27 1uad s TYR 153 N -1.92 2.64 -0.01 2.20 5.04 -1.26 -1.49 117.35 122.55 1uad s TYR 153 Ca 0.63 -0.88 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 1uad s TYR 153 Cb -0.17 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1uad s TYR 153 CO 0.21 -0.33 -0.06 0.08 -1.34 0.00 0.00 175.55 174.11 1uad s VAL 154 N 0.29 0.51 -0.14 3.14 1.01 -0.63 -5.00 120.40 119.59 1uad s VAL 154 Ca -0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1uad s VAL 154 Cb -0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1uad s VAL 154 CO 0.07 0.16 0.09 -1.61 0.00 0.00 0.00 175.10 173.82 1uad s GLU 155 N 0.11 3.55 0.30 2.72 2.02 -1.26 -0.98 118.70 125.16 1uad s GLU 155 Ca -0.01 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 54.76 1uad s GLU 155 Cb -0.05 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 1uad s GLU 155 CO -0.00 0.60 0.10 0.95 0.02 0.00 0.00 175.26 176.92 1uad s THR 156 N -0.54 0.73 -0.21 3.63 -4.23 -0.14 -4.65 115.64 110.23 1uad s THR 156 Ca 0.11 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1uad s THR 156 Cb -0.12 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.18 1uad s THR 156 CO 0.02 0.00 0.24 -0.55 -0.54 0.00 0.00 174.62 173.79 1uad s SER 157 N -3.41 1.27 0.47 3.99 0.15 -0.98 -0.70 113.70 114.50 1uad s SER 157 Ca 0.36 -0.19 0.32 0.00 0.70 0.00 0.00 55.95 57.13 1uad s SER 157 Cb 0.07 0.46 1.43 0.00 -1.71 0.00 0.00 66.02 66.27 1uad s SER 157 CO 0.15 -0.33 1.94 0.00 1.20 0.00 0.00 173.24 176.21 1uad h ALA 158 N 8.30 1.00 0.10 5.45 0.00 -1.90 0.52 119.26 132.72 1uad h ALA 158 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1uad h ALA 158 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1uad h ALA 158 CO 0.28 0.00 -0.05 -0.22 0.00 0.00 0.00 179.25 179.26 1uad h LYS 159 N 0.00 -0.13 0.00 0.00 3.64 -1.94 -3.34 116.57 114.79 1uad h LYS 159 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uad h LYS 159 Cb 0.33 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1uad h LYS 159 CO 0.00 0.12 -0.32 0.25 -2.27 0.00 0.00 179.45 177.24 1uad n THR 160 N -4.85 0.06 -1.05 1.00 -2.24 -1.21 -4.93 114.28 101.06 1uad n THR 160 Ca -0.04 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1uad n THR 160 Cb 0.16 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1uad n THR 160 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1uad n ARG 161 N -1.59 -0.49 -1.68 -0.78 0.63 0.18 -4.98 116.66 107.95 1uad n ARG 161 Ca 0.06 0.31 -0.46 0.00 -0.92 0.00 0.00 57.85 56.85 1uad n ARG 161 Cb 0.35 -3.82 -0.04 0.00 0.45 0.00 0.00 32.46 29.40 1uad n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uad n ALA 162 N 1.03 1.49 -0.75 5.13 0.00 -1.02 -2.35 120.51 124.05 1uad n ALA 162 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1uad n ALA 162 Cb 0.15 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1uad n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uad n ASN 163 N 4.67 -4.01 0.07 0.00 3.02 -1.26 -2.31 115.26 115.44 1uad n ASN 163 Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 1uad n ASN 163 Cb 0.31 -2.80 -0.08 0.00 -0.61 0.00 0.00 39.78 36.60 1uad n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1uad h VAL 164 N 0.00 1.01 -0.87 2.41 2.07 -1.77 -1.63 116.25 117.47 1uad h VAL 164 Ca 0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1uad h VAL 164 Cb 0.67 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1uad h VAL 164 CO 0.00 0.11 0.50 0.44 0.02 0.00 0.00 177.57 178.64 1uad h ASP 165 N -0.37 1.07 -0.27 0.57 3.32 -1.89 -2.82 116.42 116.03 1uad h ASP 165 Ca -0.02 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1uad h ASP 165 Cb 0.30 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1uad h ASP 165 CO 0.03 0.84 -0.03 0.50 -1.72 0.00 0.00 179.24 178.86 1uad h LYS 166 N 1.21 0.04 -0.73 3.56 3.64 -1.87 -0.08 116.57 122.35 1uad h LYS 166 Ca 0.31 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1uad h LYS 166 Cb -0.01 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1uad h LYS 166 CO -0.05 0.03 0.30 -0.39 -2.27 0.00 0.00 179.45 177.06 1uad h VAL 167 N 0.05 1.25 -0.30 2.00 -1.51 -1.06 0.28 116.25 116.95 1uad h VAL 167 Ca 0.13 -0.76 -0.09 0.00 -1.23 0.00 0.00 66.70 64.75 1uad h VAL 167 Cb 0.19 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 1uad h VAL 167 CO -0.25 0.31 -0.17 -0.26 -1.23 0.00 0.00 177.57 175.97 1uad h PHE 168 N 1.06 0.74 -0.39 5.19 0.04 -1.29 -1.79 116.94 120.50 1uad h PHE 168 Ca 0.25 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 1uad h PHE 168 Cb 0.19 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1uad h PHE 168 CO 0.02 0.88 -0.06 0.74 -0.60 0.00 0.00 178.31 179.29 1uad h PHE 169 N 0.39 0.81 -0.66 -0.55 -1.00 -0.75 -1.59 116.94 113.58 1uad h PHE 169 Ca 0.06 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1uad h PHE 169 Cb 0.70 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 1uad h PHE 169 CO 0.06 0.84 0.36 -0.44 -1.61 0.00 0.00 178.31 177.53 1uad h ASP 170 N 0.54 0.82 -0.60 2.17 3.32 -0.46 -0.47 116.42 121.74 1uad h ASP 170 Ca 0.10 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1uad h ASP 170 Cb 0.56 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1uad h ASP 170 CO 0.03 0.68 0.05 0.25 -1.72 0.00 0.00 179.24 178.53 1uad h LEU 171 N 0.90 0.99 -1.06 1.55 5.85 -1.21 -2.20 115.31 120.13 1uad h LEU 171 Ca 0.23 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1uad h LEU 171 Cb 0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1uad h LEU 171 CO -0.04 1.03 0.44 0.24 -0.34 0.00 0.00 178.44 179.77 1uad h MET 172 N 0.92 1.09 -0.52 1.25 2.86 -0.86 -1.28 114.93 118.39 1uad h MET 172 Ca 0.18 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1uad h MET 172 Cb 0.49 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1uad h MET 172 CO 0.02 0.79 0.17 0.00 1.06 0.00 0.00 176.91 178.95 1uad h ARG 173 N 1.10 0.76 -0.27 1.72 3.08 -0.68 0.19 114.38 120.29 1uad h ARG 173 Ca 0.28 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1uad h ARG 173 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1uad h ARG 173 CO -0.05 0.66 -0.11 0.93 -1.07 0.00 0.00 179.97 180.33 1uad h GLU 174 N 0.75 0.55 -0.35 0.04 5.08 -0.76 -0.37 114.58 119.52 1uad h GLU 174 Ca 0.17 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1uad h GLU 174 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1uad h GLU 174 CO -0.01 0.79 0.21 0.82 -1.00 0.00 0.00 179.01 179.82 1uad h ILE 175 N 0.29 1.05 -0.83 3.13 2.04 -0.83 -0.13 117.51 122.25 1uad h ILE 175 Ca 0.06 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1uad h ILE 175 Cb 0.61 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1uad h ILE 175 CO 0.04 0.08 0.52 -0.09 0.00 0.00 0.00 178.15 178.69 1uad h ARG 176 N 0.44 0.94 -0.56 2.37 2.43 -0.50 -1.27 114.38 118.23 1uad h ARG 176 Ca 0.14 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1uad h ARG 176 Cb -0.02 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1uad h ARG 176 CO -0.05 0.62 0.14 0.00 -1.51 0.00 0.00 179.97 179.18 1uad h ALA 177 N 1.37 1.21 -0.24 2.80 0.00 -0.11 -2.14 119.26 122.15 1uad h ALA 177 Ca 0.35 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1uad h ALA 177 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1uad h ALA 177 CO -0.15 0.55 -0.47 -0.09 0.00 0.00 0.00 179.25 179.09 1uad h ARG 178 N 0.82 0.63 -0.34 0.00 1.12 -0.21 -3.22 114.38 113.19 1uad h ARG 178 Ca 0.18 -0.36 -0.13 0.00 -1.11 0.00 0.00 59.98 58.56 1uad h ARG 178 Cb 0.28 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1uad h ARG 178 CO -0.00 0.97 -0.32 0.87 -3.11 0.00 0.00 179.97 178.37 1uad h LYS 179 N 0.50 0.74 -5.45 0.20 1.57 -0.96 -3.47 116.57 109.69 1uad h LYS 179 Ca 0.03 -0.34 -0.41 0.00 -1.87 0.00 0.00 60.65 58.05 1uad h LYS 179 Cb 1.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1uad h LYS 179 CO 0.09 0.96 -0.63 -1.33 -0.57 0.00 0.00 179.45 177.98 1uad n MET 180 N -4.07 -4.37 -2.11 3.15 2.81 -0.83 -4.93 117.12 106.76 1uad n MET 180 Ca -0.01 0.62 -0.39 0.00 -1.81 0.00 0.00 57.70 56.11 1uad n MET 180 Cb 0.49 -5.42 -0.01 0.00 -0.71 0.00 0.00 33.22 27.57 1uad n MET 180 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1uad s GLU 181 N -6.11 3.96 0.57 0.03 2.02 -1.26 -4.99 118.70 112.91 1uad s GLU 181 Ca 0.45 2.06 -0.18 0.00 0.02 0.00 0.00 54.97 57.33 1uad s GLU 181 Cb -0.23 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1uad s GLU 181 CO 0.56 -0.47 1.10 -0.51 0.02 0.00 0.00 175.26 175.96 1uad s ASP 182 N -0.87 5.68 0.00 -0.19 1.01 -1.26 -5.16 116.67 115.88 1uad s ASP 182 Ca 0.58 2.06 0.06 0.00 0.71 0.00 0.00 52.55 55.96 1uad s ASP 182 Cb -0.36 -2.57 0.34 0.00 1.01 0.00 0.00 42.92 41.34 1uad s ASP 182 CO 0.46 -1.24 0.81 -1.54 0.21 0.00 0.00 175.17 173.86