#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg n ALA 3 N 0.00 -1.56 -1.76 2.41 0.00 -1.26 -4.87 120.51 113.47 1ydg n ALA 3 Ca 0.00 0.53 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 1ydg n ALA 3 Cb 0.00 -1.99 -0.00 0.00 0.00 0.00 0.00 19.45 17.46 1ydg n ALA 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ydg n PRO 4 N 2.16 2.53 -1.63 0.00 -0.02 -1.26 -4.93 135.00 131.84 1ydg n PRO 4 Ca 0.18 0.89 -0.47 0.00 -2.02 0.00 0.00 63.50 62.08 1ydg n PRO 4 Cb 0.18 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 1ydg n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ydg n VAL 5 N 0.37 0.74 -3.11 -1.45 0.31 -1.26 -4.58 118.33 109.35 1ydg n VAL 5 Ca 0.02 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.74 1ydg n VAL 5 Cb 0.38 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1ydg n VAL 5 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ydg s LYS 6 N -0.17 3.29 -0.18 5.55 1.02 -1.26 -0.34 119.74 127.65 1ydg s LYS 6 Ca 0.72 -0.37 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 1ydg s LYS 6 Cb -0.74 -3.95 -0.01 0.00 -0.52 0.00 0.00 37.83 32.61 1ydg s LYS 6 CO 0.49 -1.00 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.67 1ydg s LEU 7 N 2.80 2.81 -0.22 3.17 2.96 0.63 -0.45 118.68 130.37 1ydg s LEU 7 Ca 0.22 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1ydg s LEU 7 Cb -0.14 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1ydg s LEU 7 CO 0.19 0.07 0.05 0.00 -1.32 0.00 0.00 176.35 175.34 1ydg s ALA 8 N 0.91 3.17 -0.44 5.97 0.00 -0.37 -0.76 121.76 130.25 1ydg s ALA 8 Ca -0.02 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1ydg s ALA 8 Cb -0.15 -1.97 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1ydg s ALA 8 CO 0.00 -0.27 0.32 0.42 0.00 0.00 0.00 175.76 176.23 1ydg s ILE 9 N 1.22 4.82 -0.22 0.00 -1.09 0.90 -1.30 121.20 125.53 1ydg s ILE 9 Ca 0.04 -1.10 -0.04 0.00 -2.23 0.00 0.00 60.65 57.32 1ydg s ILE 9 Cb -0.14 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1ydg s ILE 9 CO 0.03 -0.48 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.53 1ydg s VAL 10 N 1.56 3.40 0.00 2.92 1.01 0.08 -0.12 120.40 129.26 1ydg s VAL 10 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1ydg s VAL 10 Cb -0.23 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ydg s VAL 10 CO 0.06 0.42 -0.03 0.72 0.00 0.00 0.00 175.10 176.26 1ydg s PHE 11 N 1.48 0.29 -0.13 5.22 -0.12 -0.62 -1.53 117.98 122.58 1ydg s PHE 11 Ca 0.06 -0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 56.79 1ydg s PHE 11 Cb -0.14 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 1ydg s PHE 11 CO -0.03 -0.01 0.11 -0.47 -0.05 0.00 0.00 175.22 174.77 1ydg s TYR 12 N -0.17 3.49 -0.08 3.49 5.04 0.21 -0.95 117.35 128.37 1ydg s TYR 12 Ca 0.00 0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 55.02 1ydg s TYR 12 Cb -0.02 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.39 1ydg s TYR 12 CO -0.00 0.62 0.18 0.45 -1.34 0.00 0.00 175.55 175.46 1ydg s SER 13 N -0.77 0.03 -0.13 4.32 0.15 -1.26 -4.16 113.70 111.88 1ydg s SER 13 Ca 0.13 0.39 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 1ydg s SER 13 Cb -0.12 0.30 -0.08 0.00 -1.71 0.00 0.00 66.02 64.41 1ydg s SER 13 CO 0.03 -0.18 0.15 0.28 1.20 0.00 0.00 173.24 174.72 1ydg h SER 14 N 7.51 0.00 -0.15 5.45 0.02 -1.97 -3.43 113.55 120.98 1ydg h SER 14 Ca -0.35 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1ydg h SER 14 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1ydg h SER 14 CO 0.34 0.77 0.00 0.35 -1.14 0.00 0.00 176.83 177.15 1ydg n THR 15 N -4.67 1.34 0.00 -2.27 -2.24 -1.26 -4.21 114.28 100.96 1ydg n THR 15 Ca -0.07 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1ydg n THR 15 Cb 0.23 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1ydg n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ydg n GLY 16 N -0.33 0.86 0.19 3.38 0.00 -1.26 -4.85 105.19 103.18 1ydg n GLY 16 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ydg n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ydg h THR 17 N 0.00 0.72 -0.98 2.61 2.02 -1.96 -1.46 112.91 113.86 1ydg h THR 17 Ca 0.00 -0.52 0.17 0.00 0.77 0.00 0.00 66.41 66.83 1ydg h THR 17 Cb 0.00 0.99 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1ydg h THR 17 CO 0.00 0.10 0.61 1.23 0.37 0.00 0.00 175.52 177.84 1ydg h GLY 18 N -0.70 1.54 1.00 2.16 0.00 -1.93 -0.62 103.07 104.53 1ydg h GLY 18 Ca -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1ydg h GLY 18 CO 0.07 0.01 0.17 -1.82 0.00 0.00 0.00 176.54 174.97 1ydg h TYR 19 N 0.75 0.93 -0.56 5.60 3.20 -1.80 0.50 116.97 125.58 1ydg h TYR 19 Ca 0.53 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.19 1ydg h TYR 19 Cb 0.84 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1ydg h TYR 19 CO -0.00 0.78 -0.09 0.00 -1.64 0.00 0.00 178.16 177.21 1ydg h ALA 20 N 1.04 0.77 -0.08 1.82 0.00 -0.54 -0.89 119.26 121.38 1ydg h ALA 20 Ca 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ydg h ALA 20 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ydg h ALA 20 CO -0.00 0.68 0.03 0.52 0.00 0.00 0.00 179.25 180.48 1ydg h MET 21 N 0.94 0.12 -0.45 0.00 2.86 -0.97 -2.01 114.93 115.43 1ydg h MET 21 Ca 0.15 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1ydg h MET 21 Cb 0.66 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1ydg h MET 21 CO 0.05 0.24 0.11 0.00 1.06 0.00 0.00 176.91 178.37 1ydg h ALA 22 N 0.88 1.35 -0.65 6.32 0.00 -0.72 -0.91 119.26 125.53 1ydg h ALA 22 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1ydg h ALA 22 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ydg h ALA 22 CO -0.00 0.47 0.06 1.96 0.00 0.00 0.00 179.25 181.73 1ydg h GLN 23 N 0.66 1.10 -0.35 0.00 4.20 -1.08 -0.66 115.11 118.98 1ydg h GLN 23 Ca 0.15 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1ydg h GLN 23 Cb 0.25 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1ydg h GLN 23 CO -0.00 1.04 0.21 1.49 -0.67 0.00 0.00 178.83 180.90 1ydg h GLU 24 N 1.02 0.47 -0.50 1.46 4.57 -0.82 -2.18 114.58 118.59 1ydg h GLU 24 Ca 0.19 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1ydg h GLU 24 Cb 0.50 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1ydg h GLU 24 CO 0.02 0.36 0.24 0.00 -1.18 0.00 0.00 179.01 178.44 1ydg h ALA 25 N 1.09 0.65 -0.45 2.92 0.00 -0.94 -0.59 119.26 121.94 1ydg h ALA 25 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ydg h ALA 25 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ydg h ALA 25 CO -0.02 0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.48 1ydg h ALA 26 N 1.08 0.60 -0.74 0.00 0.00 -1.09 -0.63 119.26 118.48 1ydg h ALA 26 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ydg h ALA 26 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ydg h ALA 26 CO -0.02 0.36 0.22 0.93 0.00 0.00 0.00 179.25 180.74 1ydg h GLU 27 N 0.62 1.15 -0.67 0.00 4.39 -1.29 -0.90 114.58 117.88 1ydg h GLU 27 Ca 0.13 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1ydg h GLU 27 Cb 0.44 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1ydg h GLU 27 CO 0.02 0.98 0.38 0.00 -1.16 0.00 0.00 179.01 179.22 1ydg h ALA 28 N 1.11 0.86 -0.57 3.43 0.00 -0.85 -1.01 119.26 122.23 1ydg h ALA 28 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ydg h ALA 28 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ydg h ALA 28 CO -0.01 0.36 0.22 0.78 0.00 0.00 0.00 179.25 180.61 1ydg h GLY 29 N 0.92 0.92 0.93 0.00 0.00 -0.83 -1.65 103.07 103.35 1ydg h GLY 29 Ca 0.24 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1ydg h GLY 29 CO -0.04 0.48 0.06 -0.09 0.00 0.00 0.00 176.54 176.95 1ydg h ARG 30 N 0.79 0.63 0.00 4.80 9.65 -0.97 -0.77 114.38 128.51 1ydg h ARG 30 Ca 0.19 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1ydg h ARG 30 Cb 0.22 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1ydg h ARG 30 CO -0.01 0.69 -0.19 0.00 2.80 0.00 0.00 179.97 183.26 1ydg h ALA 31 N 0.92 1.28 -0.00 2.80 0.00 -1.12 -1.92 119.26 121.22 1ydg h ALA 31 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ydg h ALA 31 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ydg h ALA 31 CO 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 1ydg n ALA 32 N -2.32 2.66 0.00 0.00 0.00 -0.63 -4.91 120.51 115.31 1ydg n ALA 32 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1ydg n ALA 32 Cb 0.30 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ydg n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ydg n GLY 33 N 1.12 0.90 3.86 0.00 0.00 -0.72 -4.92 105.19 105.43 1ydg n GLY 33 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1ydg n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 34 N -2.00 3.19 -0.10 4.61 0.00 -0.33 -4.30 121.76 122.83 1ydg s ALA 34 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1ydg s ALA 34 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1ydg s ALA 34 CO 0.00 -0.13 0.69 -2.00 0.00 0.00 0.00 175.76 174.33 1ydg s GLU 35 N -3.96 4.38 -0.06 0.00 2.12 0.54 -4.28 118.70 117.44 1ydg s GLU 35 Ca 0.56 0.83 0.05 0.00 0.36 0.00 0.00 54.97 56.77 1ydg s GLU 35 Cb -0.10 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 1ydg s GLU 35 CO 0.31 -0.03 -0.21 0.08 -0.54 0.00 0.00 175.26 174.88 1ydg s VAL 36 N 1.13 1.71 -0.21 3.70 1.01 -1.26 -0.27 120.40 126.22 1ydg s VAL 36 Ca 0.36 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1ydg s VAL 36 Cb -0.17 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ydg s VAL 36 CO 0.16 0.48 -0.08 -0.13 0.00 0.00 0.00 175.10 175.53 1ydg s ARG 37 N 0.02 3.29 -0.30 2.72 0.52 0.06 -4.99 118.95 120.27 1ydg s ARG 37 Ca -0.06 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.33 1ydg s ARG 37 Cb -0.13 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 1ydg s ARG 37 CO 0.03 -0.20 0.40 -1.17 0.02 0.00 0.00 175.30 174.38 1ydg s LEU 38 N 1.43 4.19 -0.04 2.53 2.96 -1.26 -0.07 118.68 128.42 1ydg s LEU 38 Ca 0.06 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1ydg s LEU 38 Cb -0.14 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.14 1ydg s LEU 38 CO -0.05 -0.28 -0.00 -0.76 -1.32 0.00 0.00 176.35 173.93 1ydg s LEU 39 N 2.12 0.94 0.10 -0.68 1.43 0.84 -4.38 118.68 119.05 1ydg s LEU 39 Ca 0.15 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1ydg s LEU 39 Cb -0.16 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.68 1ydg s LEU 39 CO 0.11 -0.13 0.55 -1.59 0.23 0.00 0.00 176.35 175.52 1ydg s LYS 40 N 1.37 4.08 0.18 1.70 -2.85 -0.39 -1.58 119.74 122.24 1ydg s LYS 40 Ca -0.05 0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 55.23 1ydg s LYS 40 Cb -0.13 -3.10 -0.08 0.00 -2.06 0.00 0.00 37.83 32.46 1ydg s LYS 40 CO -0.02 0.57 1.10 0.08 0.10 0.00 0.00 175.35 177.18 1ydg s VAL 41 N -1.27 3.87 0.18 1.79 1.01 -0.13 0.18 120.40 126.04 1ydg s VAL 41 Ca 0.32 1.61 -0.33 0.00 0.00 0.00 0.00 61.98 63.58 1ydg s VAL 41 Cb -0.17 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1ydg s VAL 41 CO 0.19 0.27 1.48 -1.14 0.00 0.00 0.00 175.10 175.90 1ydg n ARG 42 N 2.39 1.99 -2.48 2.72 0.63 -1.26 -4.88 116.66 115.78 1ydg n ARG 42 Ca 0.03 0.72 -0.42 0.00 -0.92 0.00 0.00 57.85 57.25 1ydg n ARG 42 Cb 0.46 -2.42 -0.03 0.00 0.45 0.00 0.00 32.46 30.92 1ydg n ARG 42 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ydg s GLU 43 N 0.34 4.39 -0.01 -0.14 2.56 -1.26 -4.87 118.70 119.71 1ydg s GLU 43 Ca 0.75 1.66 0.14 0.00 0.00 0.00 0.00 54.97 57.52 1ydg s GLU 43 Cb -0.70 -3.51 -0.17 0.00 2.00 0.00 0.00 34.13 31.76 1ydg s GLU 43 CO 0.43 -0.37 0.47 0.25 -0.56 0.00 0.00 175.26 175.48 1ydg n THR 44 N 4.42 0.00 -2.22 -1.70 -2.24 -1.26 -5.00 114.28 106.27 1ydg n THR 44 Ca 0.10 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1ydg n THR 44 Cb 0.47 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 1ydg n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ydg s ALA 45 N -2.54 3.48 0.79 6.98 0.00 -1.26 -5.00 121.76 124.21 1ydg s ALA 45 Ca 0.01 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1ydg s ALA 45 Cb 0.10 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1ydg s ALA 45 CO 0.56 -0.50 1.15 -2.14 0.00 0.00 0.00 175.76 174.84 1ydg s PRO 46 N -1.54 1.85 0.26 0.00 0.02 -1.26 -4.80 135.00 129.53 1ydg s PRO 46 Ca 0.48 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 1ydg s PRO 46 Cb -0.37 -1.82 0.33 0.00 0.02 0.00 0.00 34.50 32.66 1ydg s PRO 46 CO 0.48 -2.01 1.91 0.37 -0.33 0.00 0.00 177.00 177.42 1ydg h GLN 47 N -0.96 1.24 -0.01 5.54 5.75 -1.99 -1.84 115.11 122.84 1ydg h GLN 47 Ca -0.45 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 1ydg h GLN 47 Cb 1.27 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 29.54 1ydg h GLN 47 CO 0.48 0.82 -0.09 0.38 -2.65 0.00 0.00 178.83 177.77 1ydg h ASP 48 N 1.28 0.01 0.06 -0.69 2.03 -1.99 1.00 116.42 118.11 1ydg h ASP 48 Ca 0.40 -0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.56 1ydg h ASP 48 Cb 0.00 -0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1ydg h ASP 48 CO -0.13 0.10 -0.59 0.58 -1.03 0.00 0.00 179.24 178.18 1ydg h VAL 49 N 0.01 1.51 -0.60 4.15 2.07 -1.78 -3.29 116.25 118.33 1ydg h VAL 49 Ca 0.00 -2.27 0.09 0.00 0.82 0.00 0.00 66.70 65.34 1ydg h VAL 49 Cb 0.16 2.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 1ydg h VAL 49 CO 0.01 0.64 0.21 0.40 0.02 0.00 0.00 177.57 178.85 1ydg h ILE 50 N -0.35 0.76 0.00 4.57 2.04 -0.99 -2.72 117.51 120.82 1ydg h ILE 50 Ca -0.09 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ydg h ILE 50 Cb 1.38 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ydg h ILE 50 CO 0.11 0.07 0.00 0.44 0.00 0.00 0.00 178.15 178.77 1ydg h ASP 51 N 0.38 0.00 0.40 1.72 3.32 -0.90 -2.04 116.42 119.31 1ydg h ASP 51 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1ydg h ASP 51 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ydg h ASP 51 CO -0.31 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.82 1ydg n GLY 52 N -0.27 -0.99 2.76 2.75 0.00 -1.02 -4.44 105.19 103.98 1ydg n GLY 52 Ca 0.01 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1ydg n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ydg s GLN 53 N -3.23 0.79 0.37 1.61 -0.21 -0.76 -5.02 119.66 113.20 1ydg s GLN 53 Ca 0.03 -0.49 0.11 0.00 0.02 0.00 0.00 55.36 55.04 1ydg s GLN 53 Cb 0.07 -2.15 0.90 0.00 1.00 0.00 0.00 33.01 32.83 1ydg s GLN 53 CO 0.25 -0.62 1.85 -0.44 -2.12 0.00 0.00 175.29 174.21 1ydg h ASP 54 N 8.21 0.59 0.72 5.90 3.32 -1.82 -0.50 116.42 132.83 1ydg h ASP 54 Ca -0.17 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1ydg h ASP 54 Cb 1.11 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1ydg h ASP 54 CO 0.35 0.27 -0.37 0.00 -1.72 0.00 0.00 179.24 177.76 1ydg h ALA 55 N 1.61 1.07 -0.02 3.45 0.00 -1.95 0.12 119.26 123.54 1ydg h ALA 55 Ca 0.47 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ydg h ALA 55 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ydg h ALA 55 CO -0.22 0.46 -0.11 2.35 0.00 0.00 0.00 179.25 181.73 1ydg h TRP 56 N 0.00 0.15 -0.40 0.00 2.91 -1.27 -2.04 115.95 115.30 1ydg h TRP 56 Ca -0.00 -0.07 0.03 0.00 1.13 0.00 0.00 58.89 59.98 1ydg h TRP 56 Cb 0.83 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.42 1ydg h TRP 56 CO 0.00 0.78 0.20 -0.22 -1.03 0.00 0.00 178.44 178.17 1ydg h LYS 57 N -0.53 0.40 -0.79 2.65 3.64 -1.36 -1.32 116.57 119.26 1ydg h LYS 57 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ydg h LYS 57 Cb 0.80 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1ydg h LYS 57 CO 0.02 0.26 0.52 0.00 -2.27 0.00 0.00 179.45 177.99 1ydg h ALA 58 N 1.21 1.00 -0.42 5.00 0.00 -1.01 -2.58 119.26 122.45 1ydg h ALA 58 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1ydg h ALA 58 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ydg h ALA 58 CO -0.12 0.40 -0.21 -0.97 0.00 0.00 0.00 179.25 178.36 1ydg h ASN 59 N 1.06 0.86 -1.00 0.00 -1.24 -1.13 -0.16 115.58 113.97 1ydg h ASN 59 Ca 0.29 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 57.01 1ydg h ASN 59 Cb -0.11 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 38.65 1ydg h ASN 59 CO -0.07 1.05 0.66 0.40 -1.29 0.00 0.00 177.43 178.18 1ydg h ILE 60 N 0.74 1.22 -0.42 2.57 2.04 -1.05 -0.84 117.51 121.77 1ydg h ILE 60 Ca 0.10 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1ydg h ILE 60 Cb 0.74 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1ydg h ILE 60 CO 0.06 0.24 0.03 -0.08 0.00 0.00 0.00 178.15 178.40 1ydg h GLU 61 N 1.32 0.72 -0.95 2.37 4.57 -1.13 -2.81 114.58 118.67 1ydg h GLU 61 Ca 0.38 -0.21 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 1ydg h GLU 61 Cb -0.09 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.36 1ydg h GLU 61 CO -0.10 0.78 0.61 0.00 -1.18 0.00 0.00 179.01 179.12 1ydg h ALA 62 N 0.91 1.57 -0.26 2.92 0.00 -0.23 -2.40 119.26 121.78 1ydg h ALA 62 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ydg h ALA 62 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ydg h ALA 62 CO 0.02 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 1ydg n MET 63 N -4.55 1.87 0.19 0.00 2.81 -0.40 -4.60 117.12 112.44 1ydg n MET 63 Ca 0.16 -1.32 0.10 0.00 -1.81 0.00 0.00 57.70 54.83 1ydg n MET 63 Cb 0.31 -1.38 0.63 0.00 -0.71 0.00 0.00 33.22 32.07 1ydg n MET 63 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1ydg h LYS 64 N 2.48 0.05 -0.47 0.03 2.10 -1.17 0.54 116.57 120.14 1ydg h LYS 64 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ydg h LYS 64 Cb 0.55 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1ydg h LYS 64 CO 0.00 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.23 1ydg n ASP 65 N -4.51 2.87 -4.67 7.07 10.43 -1.26 -4.82 116.55 121.66 1ydg n ASP 65 Ca -0.00 -1.96 -0.40 0.00 2.57 0.00 0.00 54.79 55.00 1ydg n ASP 65 Cb 0.18 -0.31 -0.05 0.00 1.84 0.00 0.00 41.12 42.78 1ydg n ASP 65 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ydg s VAL 66 N -1.38 5.00 0.55 2.53 1.01 0.18 -5.05 120.40 123.25 1ydg s VAL 66 Ca 0.37 1.29 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 1ydg s VAL 66 Cb 0.20 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1ydg s VAL 66 CO 0.27 0.11 1.17 -2.16 0.00 0.00 0.00 175.10 174.49 1ydg s PRO 67 N 1.81 3.23 0.20 2.72 0.04 -1.26 -4.70 135.00 137.05 1ydg s PRO 67 Ca 0.31 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 1ydg s PRO 67 Cb -0.16 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1ydg s PRO 67 CO 0.11 -0.98 1.02 -1.21 0.04 0.00 0.00 177.00 175.99 1ydg s GLU 68 N -3.23 4.71 0.46 4.56 2.02 -1.26 -1.26 118.70 124.69 1ydg s GLU 68 Ca 0.74 1.61 -0.24 0.00 0.02 0.00 0.00 54.97 57.10 1ydg s GLU 68 Cb -0.28 -3.28 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 1ydg s GLU 68 CO 0.31 0.27 1.26 0.00 0.02 0.00 0.00 175.26 177.12 1ydg s ALA 69 N -0.65 3.05 0.16 5.21 0.00 0.13 -4.81 121.76 124.84 1ydg s ALA 69 Ca 0.45 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.60 1ydg s ALA 69 Cb -0.28 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1ydg s ALA 69 CO 0.34 -0.87 -0.11 0.95 0.00 0.00 0.00 175.76 176.07 1ydg s THR 70 N -1.38 1.30 0.38 0.00 -4.23 -1.26 -4.78 115.64 105.66 1ydg s THR 70 Ca 0.63 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 1ydg s THR 70 Cb -0.35 -1.90 0.31 0.00 1.34 0.00 0.00 72.50 71.90 1ydg s THR 70 CO 0.43 -0.71 1.95 -0.65 -0.54 0.00 0.00 174.62 175.10 1ydg h PRO 71 N 2.73 0.65 -0.98 3.99 0.11 -1.93 -1.69 132.00 134.87 1ydg h PRO 71 Ca -0.37 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.93 1ydg h PRO 71 Cb 1.20 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 1ydg h PRO 71 CO 0.63 0.43 0.63 0.00 -0.21 0.00 0.00 178.00 179.48 1ydg h ALA 72 N 1.62 2.11 -0.20 -0.75 0.00 -1.98 0.17 119.26 120.23 1ydg h ALA 72 Ca 0.33 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ydg h ALA 72 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ydg h ALA 72 CO -0.12 -0.46 -0.21 -0.44 0.00 0.00 0.00 179.25 178.03 1ydg h ASP 73 N 0.48 0.34 0.43 0.00 3.32 -1.72 -0.73 116.42 118.54 1ydg h ASP 73 Ca 0.54 -0.10 -0.27 0.00 0.02 0.00 0.00 57.03 57.22 1ydg h ASP 73 Cb 1.25 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.72 1ydg h ASP 73 CO -0.26 0.57 -1.20 -0.07 -1.72 0.00 0.00 179.24 176.55 1ydg h LEU 74 N 0.32 0.58 -0.95 1.55 3.38 -1.03 -1.59 115.31 117.57 1ydg h LEU 74 Ca 0.05 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1ydg h LEU 74 Cb 0.55 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1ydg h LEU 74 CO 0.04 1.41 0.61 -0.08 0.09 0.00 0.00 178.44 180.51 1ydg h GLU 75 N 0.16 1.14 -0.11 1.13 4.81 -1.15 -2.93 114.58 117.62 1ydg h GLU 75 Ca -0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1ydg h GLU 75 Cb 1.89 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 31.01 1ydg h GLU 75 CO 0.21 0.75 0.04 2.35 -0.73 0.00 0.00 179.01 181.63 1ydg h TRP 76 N 1.17 0.18 -4.01 0.92 7.01 -1.07 -3.46 115.95 116.70 1ydg h TRP 76 Ca 0.38 -0.02 -0.53 0.00 2.11 0.00 0.00 58.89 60.84 1ydg h TRP 76 Cb 0.04 -0.05 0.10 0.00 -2.10 0.00 0.00 29.16 27.15 1ydg h TRP 76 CO -0.01 0.30 0.58 0.00 -2.79 0.00 0.00 178.44 176.51 1ydg s ALA 77 N -5.44 2.99 -0.13 2.65 0.00 -0.61 -4.91 121.76 116.30 1ydg s ALA 77 Ca -0.14 1.20 0.19 0.00 0.00 0.00 0.00 51.96 53.21 1ydg s ALA 77 Cb 0.06 -3.49 -0.26 0.00 0.00 0.00 0.00 23.12 19.42 1ydg s ALA 77 CO 0.69 -1.02 0.31 0.39 0.00 0.00 0.00 175.76 176.14 1ydg n GLU 78 N -0.56 0.67 -4.64 0.00 1.02 0.40 -4.92 120.64 112.62 1ydg n GLU 78 Ca 0.08 -0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 1ydg n GLU 78 Cb 0.45 -1.56 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1ydg n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ydg s ALA 79 N -2.88 1.25 -0.05 0.62 0.00 -0.65 -0.98 121.76 119.07 1ydg s ALA 79 Ca -0.08 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1ydg s ALA 79 Cb 0.09 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1ydg s ALA 79 CO 0.85 0.20 -0.16 0.42 0.00 0.00 0.00 175.76 177.07 1ydg s ILE 80 N 0.21 1.36 -0.12 0.00 1.01 0.46 -1.23 121.20 122.89 1ydg s ILE 80 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1ydg s ILE 80 Cb -0.11 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1ydg s ILE 80 CO 0.02 0.39 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 1ydg s VAL 81 N 0.14 1.84 -0.14 2.92 1.01 -0.42 -1.89 120.40 123.86 1ydg s VAL 81 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1ydg s VAL 81 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1ydg s VAL 81 CO 0.02 0.51 0.02 -0.36 0.00 0.00 0.00 175.10 175.29 1ydg s PHE 82 N 0.85 3.18 -0.05 5.22 0.40 -0.87 -0.75 117.98 125.96 1ydg s PHE 82 Ca -0.08 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1ydg s PHE 82 Cb -0.15 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1ydg s PHE 82 CO -0.01 0.25 -0.07 0.45 0.70 0.00 0.00 175.22 176.54 1ydg s SER 83 N -0.17 1.20 -0.04 1.36 0.15 -0.58 -0.68 113.70 114.94 1ydg s SER 83 Ca 0.06 -0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.46 1ydg s SER 83 Cb -0.12 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 1ydg s SER 83 CO 0.02 -0.03 0.16 -0.55 1.20 0.00 0.00 173.24 174.04 1ydg s SER 84 N 0.83 -0.11 0.67 5.45 0.15 -1.03 -0.62 113.70 119.04 1ydg s SER 84 Ca -0.12 0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.55 1ydg s SER 84 Cb -0.15 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1ydg s SER 84 CO 0.01 -0.15 1.12 -2.16 1.20 0.00 0.00 173.24 173.26 1ydg s PRO 85 N -0.36 2.72 0.51 5.44 0.04 -1.26 -3.24 135.00 138.85 1ydg s PRO 85 Ca -0.05 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1ydg s PRO 85 Cb -0.03 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1ydg s PRO 85 CO 0.01 -1.32 1.01 -0.08 0.04 0.00 0.00 177.00 176.66 1ydg s THR 86 N -2.29 4.11 -0.30 1.26 -1.32 0.74 -3.60 115.64 114.25 1ydg s THR 86 Ca 0.68 1.16 -0.03 0.00 -1.21 0.00 0.00 61.69 62.29 1ydg s THR 86 Cb -0.22 -3.53 0.10 0.00 -1.51 0.00 0.00 72.50 67.34 1ydg s THR 86 CO 0.42 -0.43 0.13 -0.60 -2.21 0.00 0.00 174.62 171.93 1ydg s ARG 87 N -3.62 0.26 -1.45 7.08 6.06 0.11 -4.84 118.95 122.55 1ydg s ARG 87 Ca 0.63 -0.63 -0.08 0.00 -2.50 0.00 0.00 55.73 53.15 1ydg s ARG 87 Cb -0.13 -1.24 0.05 0.00 0.06 0.00 0.00 34.95 33.69 1ydg s ARG 87 CO 0.25 -1.03 0.81 1.19 -2.50 0.00 0.00 175.30 174.02 1ydg n PHE 88 N 5.13 -2.07 -0.90 5.12 3.72 -1.26 -1.77 117.46 125.44 1ydg n PHE 88 Ca -0.04 0.86 0.00 0.00 -0.05 0.00 0.00 57.45 58.22 1ydg n PHE 88 Cb 0.42 -4.05 0.00 0.00 -0.94 0.00 0.00 39.48 34.90 1ydg n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ydg n GLY 89 N -1.67 0.63 3.82 1.37 0.00 -1.26 -5.01 105.19 103.07 1ydg n GLY 89 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ydg n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ydg s GLY 90 N -2.00 2.70 0.86 -0.02 0.00 -0.73 -2.36 107.32 105.78 1ydg s GLY 90 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1ydg s GLY 90 CO 0.00 -2.07 1.10 0.00 0.00 0.00 0.00 173.10 172.13 1ydg s ALA 91 N -2.82 1.89 0.68 3.20 0.00 -1.26 0.08 121.76 123.53 1ydg s ALA 91 Ca 0.20 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1ydg s ALA 91 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1ydg s ALA 91 CO 0.12 -2.07 1.15 0.95 0.00 0.00 0.00 175.76 175.91 1ydg s THR 92 N -3.12 2.83 0.46 0.00 -4.23 -1.24 -4.51 115.64 105.83 1ydg s THR 92 Ca 0.62 0.40 0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1ydg s THR 92 Cb -0.16 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.95 1ydg s THR 92 CO 0.55 -0.22 2.04 0.77 -0.54 0.00 0.00 174.62 177.22 1ydg h SER 93 N -0.01 0.07 -0.18 3.99 4.64 -1.96 -0.86 113.55 119.25 1ydg h SER 93 Ca -0.47 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ydg h SER 93 Cb 1.27 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ydg h SER 93 CO 0.52 0.16 0.11 1.56 -0.87 0.00 0.00 176.83 178.31 1ydg h GLN 94 N 0.08 0.25 -0.73 4.77 7.50 -1.91 0.27 115.11 125.34 1ydg h GLN 94 Ca 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1ydg h GLN 94 Cb 0.19 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 1ydg h GLN 94 CO 0.01 0.23 0.37 1.98 -1.50 0.00 0.00 178.83 179.91 1ydg h MET 95 N 0.21 1.04 -0.44 1.46 4.05 -1.78 -2.58 114.93 116.89 1ydg h MET 95 Ca 0.07 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1ydg h MET 95 Cb 0.04 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1ydg h MET 95 CO -0.01 0.81 0.03 0.00 0.23 0.00 0.00 176.91 177.97 1ydg h ARG 96 N 1.02 0.70 -0.49 0.39 2.47 -0.85 -1.46 114.38 116.16 1ydg h ARG 96 Ca 0.25 -0.16 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1ydg h ARG 96 Cb 0.10 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1ydg h ARG 96 CO -0.03 0.69 0.27 0.00 0.56 0.00 0.00 179.97 181.46 1ydg h ALA 97 N 1.37 0.62 -0.08 0.04 0.00 -0.17 0.12 119.26 121.16 1ydg h ALA 97 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ydg h ALA 97 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ydg h ALA 97 CO 0.01 -0.06 0.05 0.35 0.00 0.00 0.00 179.25 179.60 1ydg h PHE 98 N 0.53 0.11 -0.70 0.00 3.57 -1.19 -2.88 116.94 116.39 1ydg h PHE 98 Ca 0.20 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1ydg h PHE 98 Cb 0.07 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1ydg h PHE 98 CO -0.08 0.12 0.38 0.82 -2.23 0.00 0.00 178.31 177.31 1ydg h ILE 99 N 0.07 0.92 0.00 1.41 2.04 -0.83 -0.99 117.51 120.13 1ydg h ILE 99 Ca 0.03 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1ydg h ILE 99 Cb 0.04 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1ydg h ILE 99 CO -0.01 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.74 1ydg n ASP 100 N -4.81 0.44 -0.27 1.72 9.92 0.39 -1.45 116.55 122.49 1ydg n ASP 100 Ca 0.10 0.67 0.14 0.00 -0.53 0.00 0.00 54.79 55.17 1ydg n ASP 100 Cb 0.22 -0.74 0.59 0.00 -0.64 0.00 0.00 41.12 40.55 1ydg n ASP 100 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ydg n THR 101 N -2.06 0.00 1.38 -3.53 -2.24 -0.38 -4.11 114.28 103.35 1ydg n THR 101 Ca 0.00 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1ydg n THR 101 Cb 0.08 0.17 0.46 0.00 -2.10 0.00 0.00 70.33 68.95 1ydg n THR 101 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ydg n LEU 102 N -0.44 1.55 -0.14 3.22 4.77 -0.53 -4.32 117.00 121.11 1ydg n LEU 102 Ca 0.17 -0.58 0.13 0.00 -0.03 0.00 0.00 56.01 55.70 1ydg n LEU 102 Cb 0.29 -0.05 0.48 0.00 -2.33 0.00 0.00 43.42 41.82 1ydg n LEU 102 CO 0.20 0.29 1.20 1.23 -1.33 0.00 0.00 177.39 178.99 1ydg h GLY 103 N 4.93 0.71 0.74 -0.72 0.00 -1.77 0.17 103.07 107.14 1ydg h GLY 103 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ydg h GLY 103 CO 0.00 0.09 -0.01 -1.33 0.00 0.00 0.00 176.54 175.29 1ydg h GLY 104 N 0.46 -0.03 0.94 4.60 0.00 -1.93 -0.10 103.07 107.01 1ydg h GLY 104 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1ydg h GLY 104 CO -0.11 -0.01 0.16 1.41 0.00 0.00 0.00 176.54 177.99 1ydg h LEU 105 N -0.29 0.54 -0.11 3.11 4.07 -1.79 -2.81 115.31 118.04 1ydg h LEU 105 Ca -0.00 -0.16 0.02 0.00 0.08 0.00 0.00 57.88 57.82 1ydg h LEU 105 Cb 0.27 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1ydg h LEU 105 CO 0.01 0.56 -0.04 -0.25 -1.08 0.00 0.00 178.44 177.63 1ydg h TRP 106 N 0.49 -0.09 0.00 1.13 7.01 -0.61 -1.10 115.95 122.78 1ydg h TRP 106 Ca 0.13 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1ydg h TRP 106 Cb 0.18 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1ydg h TRP 106 CO -0.00 -0.07 -0.04 0.66 -2.79 0.00 0.00 178.44 176.20 1ydg h SER 107 N -0.02 0.00 -0.15 2.65 4.64 -0.94 -0.16 113.55 119.57 1ydg h SER 107 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ydg h SER 107 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ydg h SER 107 CO -0.13 0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 174.67 1ydg n SER 108 N -4.31 1.36 -1.02 4.97 7.64 -1.04 -4.93 113.62 116.30 1ydg n SER 108 Ca -0.03 -1.68 -0.12 0.00 1.01 0.00 0.00 58.87 58.05 1ydg n SER 108 Cb 0.13 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1ydg n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ydg n GLY 109 N 1.06 0.92 1.00 0.23 0.00 -0.07 -4.91 105.19 103.43 1ydg n GLY 109 Ca 0.15 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1ydg n GLY 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ydg n LYS 110 N -2.52 2.27 -0.02 1.61 3.00 -0.44 -3.32 118.16 118.74 1ydg n LYS 110 Ca -0.12 -1.96 0.04 0.00 -0.00 0.00 0.00 58.31 56.27 1ydg n LYS 110 Cb 0.44 -1.45 0.05 0.00 0.00 0.00 0.00 35.03 34.07 1ydg n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ydg n LEU 111 N 1.12 1.86 -4.78 3.14 4.77 -1.26 -4.67 117.00 117.18 1ydg n LEU 111 Ca 0.19 -1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 54.69 1ydg n LEU 111 Cb 0.48 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1ydg n LEU 111 CO 0.13 0.38 0.78 0.00 -1.33 0.00 0.00 177.39 177.36 1ydg s ALA 112 N -0.78 2.97 0.00 -1.18 0.00 -1.16 -3.72 121.76 117.90 1ydg s ALA 112 Ca 0.11 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1ydg s ALA 112 Cb 0.08 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1ydg s ALA 112 CO 0.11 -0.49 0.00 0.09 0.00 0.00 0.00 175.76 175.47 1ydg n ASN 113 N -0.48 -3.12 -4.84 0.00 3.02 -0.17 -4.94 115.26 104.73 1ydg n ASN 113 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 1ydg n ASN 113 Cb 0.49 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.17 1ydg n ASN 113 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ydg s LYS 114 N -0.64 4.10 0.48 3.52 1.02 -1.24 -4.72 119.74 122.25 1ydg s LYS 114 Ca 0.00 0.76 -0.19 0.00 0.02 0.00 0.00 55.97 56.56 1ydg s LYS 114 Cb 0.00 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.64 1ydg s LYS 114 CO 0.00 0.23 0.99 0.95 -0.92 0.00 0.00 175.35 176.60 1ydg s THR 115 N -1.83 4.28 -0.08 2.17 -4.23 -0.15 -0.65 115.64 115.15 1ydg s THR 115 Ca 0.51 1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 62.26 1ydg s THR 115 Cb -0.12 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1ydg s THR 115 CO 0.18 -0.44 0.19 0.12 -0.54 0.00 0.00 174.62 174.14 1ydg s PHE 116 N -2.31 -0.23 0.14 3.99 5.36 -0.44 -0.40 117.98 124.09 1ydg s PHE 116 Ca 0.62 0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.19 1ydg s PHE 116 Cb -0.11 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1ydg s PHE 116 CO 0.22 -0.19 0.06 -1.54 -1.46 0.00 0.00 175.22 172.31 1ydg s SER 117 N 1.16 0.39 0.11 6.13 1.04 -0.79 -0.84 113.70 120.90 1ydg s SER 117 Ca -0.09 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.16 1ydg s SER 117 Cb -0.11 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1ydg s SER 117 CO -0.07 -0.72 -0.10 0.00 0.98 0.00 0.00 173.24 173.33 1ydg s ALA 118 N -4.02 1.20 0.09 5.32 0.00 -1.26 -2.04 121.76 121.05 1ydg s ALA 118 Ca 0.26 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1ydg s ALA 118 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ydg s ALA 118 CO 0.03 -0.06 -0.07 -1.64 0.00 0.00 0.00 175.76 174.02 1ydg s MET 119 N -3.09 0.77 0.30 0.00 -1.94 0.14 -3.76 119.30 111.72 1ydg s MET 119 Ca 0.09 -1.18 -0.08 0.00 -1.71 0.00 0.00 55.69 52.80 1ydg s MET 119 Cb -0.01 -0.27 0.00 0.00 2.01 0.00 0.00 34.83 36.56 1ydg s MET 119 CO -0.00 0.01 0.49 -0.08 -0.01 0.00 0.00 175.02 175.43 1ydg s THR 120 N -2.96 0.00 0.05 2.05 -1.32 -0.08 -2.46 115.64 110.93 1ydg s THR 120 Ca 0.06 -1.48 -0.09 0.00 -1.21 0.00 0.00 61.69 58.97 1ydg s THR 120 Cb 0.01 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1ydg s THR 120 CO -0.03 0.00 0.19 -0.94 -2.21 0.00 0.00 174.62 171.63 1ydg s SER 121 N -3.12 0.06 0.15 8.08 1.04 -1.20 -1.54 113.70 117.16 1ydg s SER 121 Ca 0.26 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 1ydg s SER 121 Cb -0.01 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1ydg s SER 121 CO 0.14 -0.60 0.42 0.00 0.98 0.00 0.00 173.24 174.18 1ydg s ALA 122 N -2.90 -0.82 -0.69 5.32 0.00 -0.85 -0.18 121.76 121.63 1ydg s ALA 122 Ca -0.02 -0.20 0.26 0.00 0.00 0.00 0.00 51.96 52.00 1ydg s ALA 122 Cb 0.00 0.75 0.75 0.00 0.00 0.00 0.00 23.12 24.63 1ydg s ALA 122 CO -0.06 -0.69 1.76 1.96 0.00 0.00 0.00 175.76 178.73 1ydg h GLN 123 N 2.34 0.00 -6.60 0.00 4.20 -1.88 0.20 115.11 113.38 1ydg h GLN 123 Ca -0.32 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.70 1ydg h GLN 123 Cb 1.25 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.75 1ydg h GLN 123 CO 0.44 0.00 -0.88 -0.80 -0.67 0.00 0.00 178.83 176.92 1ydg s ASN 124 N -4.74 3.03 0.24 1.46 0.01 -1.26 -4.73 114.94 108.95 1ydg s ASN 124 Ca 0.10 -0.50 -0.06 0.00 -0.71 0.00 0.00 52.86 51.69 1ydg s ASN 124 Cb 0.11 -0.31 0.31 0.00 0.41 0.00 0.00 41.25 41.77 1ydg s ASN 124 CO 0.60 0.29 1.86 0.58 -1.51 0.00 0.00 177.10 178.92 1ydg h VAL 125 N 4.41 1.07 -0.45 1.60 2.07 -1.97 -2.57 116.25 120.41 1ydg h VAL 125 Ca -0.44 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1ydg h VAL 125 Cb 1.13 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1ydg h VAL 125 CO 0.46 0.18 0.05 0.59 0.02 0.00 0.00 177.57 178.87 1ydg n ASN 126 N -4.60 4.48 -2.58 0.57 5.03 -1.26 -4.46 115.26 112.43 1ydg n ASN 126 Ca 0.12 -3.10 -0.33 0.00 0.87 0.00 0.00 54.58 52.14 1ydg n ASN 126 Cb 0.15 -0.63 0.01 0.00 -1.02 0.00 0.00 39.78 38.29 1ydg n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ydg n GLY 127 N -0.18 5.04 0.10 7.41 0.00 -0.97 -4.65 105.19 111.94 1ydg n GLY 127 Ca 0.28 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1ydg n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 128 N -0.04 0.97 0.00 -0.02 0.00 -1.26 -4.49 105.19 100.36 1ydg n GLY 128 Ca 0.51 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.61 1ydg n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ydg n GLN 129 N -2.05 0.24 -0.06 1.61 6.02 -1.26 -2.04 117.38 119.84 1ydg n GLN 129 Ca 0.00 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1ydg n GLN 129 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1ydg n GLN 129 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ydg n GLU 130 N -1.30 0.28 -0.08 -1.09 1.02 -1.26 -4.62 120.64 113.59 1ydg n GLU 130 Ca 0.08 0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1ydg n GLU 130 Cb 0.15 -1.10 0.08 0.00 -0.02 0.00 0.00 31.44 30.55 1ydg n GLU 130 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ydg h THR 131 N -0.21 1.28 -0.77 2.62 1.35 -1.81 -1.79 112.91 113.58 1ydg h THR 131 Ca -0.28 -1.41 0.05 0.00 -0.55 0.00 0.00 66.41 64.22 1ydg h THR 131 Cb 1.34 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 69.00 1ydg h THR 131 CO -0.11 0.47 0.47 0.74 -0.25 0.00 0.00 175.52 176.83 1ydg h THR 132 N 0.65 1.04 -0.06 6.82 2.02 -1.02 0.13 112.91 122.49 1ydg h THR 132 Ca 0.08 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1ydg h THR 132 Cb 0.80 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1ydg h THR 132 CO 0.07 0.16 0.03 -0.07 0.37 0.00 0.00 175.52 176.07 1ydg h LEU 133 N 0.87 0.09 -0.41 2.58 3.38 -1.75 -2.67 115.31 117.40 1ydg h LEU 133 Ca 0.33 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1ydg h LEU 133 Cb 0.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1ydg h LEU 133 CO -0.16 0.22 -0.25 -0.61 0.09 0.00 0.00 178.44 177.73 1ydg h GLN 134 N -0.05 -0.17 -1.00 1.13 4.15 -0.42 -1.36 115.11 117.38 1ydg h GLN 134 Ca 0.02 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.57 1ydg h GLN 134 Cb 0.16 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1ydg h GLN 134 CO -0.00 -0.12 0.63 1.79 -1.93 0.00 0.00 178.83 179.21 1ydg h THR 135 N -0.18 0.94 -0.23 2.39 1.35 -0.83 -1.19 112.91 115.15 1ydg h THR 135 Ca 0.19 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.63 1ydg h THR 135 Cb 0.48 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 1ydg h THR 135 CO -0.51 0.18 -0.13 -0.07 -0.25 0.00 0.00 175.52 174.74 1ydg h LEU 136 N 1.01 0.52 -0.66 3.87 3.38 -0.97 -2.43 115.31 120.03 1ydg h LEU 136 Ca 0.49 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1ydg h LEU 136 Cb 0.46 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1ydg h LEU 136 CO -0.25 0.82 0.40 1.88 0.09 0.00 0.00 178.44 181.39 1ydg h TYR 137 N 0.21 0.76 -0.53 1.13 0.05 -0.87 -2.52 116.97 115.20 1ydg h TYR 137 Ca 0.05 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.89 1ydg h TYR 137 Cb 0.64 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 1ydg h TYR 137 CO 0.07 0.42 0.30 0.52 -1.05 0.00 0.00 178.16 178.42 1ydg h MET 138 N 0.79 0.57 -0.41 4.88 2.86 -1.16 -1.65 114.93 120.80 1ydg h MET 138 Ca 0.27 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.96 1ydg h MET 138 Cb 0.04 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.49 1ydg h MET 138 CO -0.12 0.38 -0.13 1.15 1.06 0.00 0.00 176.91 179.25 1ydg h THR 139 N 0.59 0.53 -0.25 2.22 2.02 -1.22 -2.66 112.91 114.13 1ydg h THR 139 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1ydg h THR 139 Cb 0.08 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ydg h THR 139 CO -0.13 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.87 1ydg h ALA 140 N 1.34 1.72 -0.43 6.16 0.00 -0.93 -1.16 119.26 125.97 1ydg h ALA 140 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ydg h ALA 140 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ydg h ALA 140 CO -0.44 0.23 0.21 0.52 0.00 0.00 0.00 179.25 179.76 1ydg h MET 141 N 0.35 0.60 0.00 0.00 2.86 -0.97 -1.17 114.93 116.59 1ydg h MET 141 Ca 0.09 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ydg h MET 141 Cb 0.06 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1ydg h MET 141 CO -0.01 0.47 -0.01 0.45 1.06 0.00 0.00 176.91 178.87 1ydg h HIS 142 N 0.60 0.00 0.00 -0.22 3.86 -1.13 -2.33 115.15 115.93 1ydg h HIS 142 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1ydg h HIS 142 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1ydg h HIS 142 CO 0.00 0.01 -0.51 0.91 0.86 0.00 0.00 177.93 179.20 1ydg n TRP 143 N -3.16 0.06 -2.42 2.45 8.01 -0.49 -4.94 117.44 116.96 1ydg n TRP 143 Ca -0.02 0.02 -0.11 0.00 -1.31 0.00 0.00 57.50 56.07 1ydg n TRP 143 Cb 0.12 -0.30 0.01 0.00 -2.01 0.00 0.00 31.31 29.13 1ydg n TRP 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ydg n GLY 144 N 1.48 -0.01 3.82 6.99 0.00 -0.88 -3.00 105.19 113.60 1ydg n GLY 144 Ca 0.05 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1ydg n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 145 N -2.69 2.77 -0.38 4.61 0.00 -0.94 -1.00 121.76 124.13 1ydg s ALA 145 Ca 0.08 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1ydg s ALA 145 Cb -0.03 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1ydg s ALA 145 CO 0.09 -1.01 0.24 0.08 0.00 0.00 0.00 175.76 175.16 1ydg s VAL 146 N -2.93 4.90 -0.13 0.00 1.01 0.18 -4.76 120.40 118.67 1ydg s VAL 146 Ca 0.59 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1ydg s VAL 146 Cb -0.14 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1ydg s VAL 146 CO 0.50 -0.22 0.82 -0.76 0.00 0.00 0.00 175.10 175.44 1ydg s LEU 147 N 1.62 4.23 -0.55 3.92 1.43 -1.26 -1.32 118.68 126.74 1ydg s LEU 147 Ca 0.04 1.23 0.06 0.00 -1.03 0.00 0.00 54.13 54.43 1ydg s LEU 147 Cb -0.19 -3.24 0.32 0.00 0.03 0.00 0.00 46.19 43.12 1ydg s LEU 147 CO 0.08 -0.32 0.87 0.35 0.23 0.00 0.00 176.35 177.57 1ydg n THR 148 N 4.42 2.39 -1.20 5.49 -2.24 -0.02 -4.92 114.28 118.22 1ydg n THR 148 Ca 0.03 -5.34 -0.32 0.00 -2.27 0.00 0.00 64.05 56.15 1ydg n THR 148 Cb 0.50 -1.37 0.11 0.00 -2.10 0.00 0.00 70.33 67.47 1ydg n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ydg s PRO 149 N -3.10 1.93 0.33 -0.78 0.04 -1.26 -4.70 135.00 127.46 1ydg s PRO 149 Ca 0.46 1.44 0.12 0.00 0.04 0.00 0.00 61.00 63.06 1ydg s PRO 149 Cb 0.27 -1.84 0.58 0.00 0.04 0.00 0.00 34.50 33.54 1ydg s PRO 149 CO -0.11 -1.93 1.73 -1.00 0.04 0.00 0.00 177.00 175.73 1ydg h PRO 150 N -1.02 0.00 0.00 0.56 0.13 -1.80 -3.49 132.00 126.38 1ydg h PRO 150 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ydg h PRO 150 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ydg h PRO 150 CO 0.48 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 1ydg n GLY 151 N -0.12 2.13 2.33 1.56 0.00 0.38 -2.72 105.19 108.75 1ydg n GLY 151 Ca -0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1ydg n GLY 151 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ydg n TYR 152 N 8.81 3.05 1.56 1.61 4.02 -1.26 -4.24 117.16 130.71 1ydg n TYR 152 Ca 0.00 -2.64 0.15 0.00 -0.01 0.00 0.00 57.90 55.40 1ydg n TYR 152 Cb 0.00 -0.68 0.78 0.00 -0.02 0.00 0.00 39.34 39.42 1ydg n TYR 152 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ydg n THR 153 N -0.69 0.00 -4.01 -0.72 -2.24 -1.10 -4.72 114.28 100.80 1ydg n THR 153 Ca 0.49 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1ydg n THR 153 Cb 0.72 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 1ydg n THR 153 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ydg s ASP 154 N -2.42 0.32 0.54 3.42 2.15 -1.26 -5.03 116.67 114.38 1ydg s ASP 154 Ca 0.33 -0.71 0.21 0.00 0.43 0.00 0.00 52.55 52.81 1ydg s ASP 154 Cb 0.21 0.18 1.39 0.00 -0.30 0.00 0.00 42.92 44.40 1ydg s ASP 154 CO 0.44 -0.48 2.12 -0.33 -0.17 0.00 0.00 175.17 176.75 1ydg h GLU 155 N 3.75 0.00 0.00 4.34 3.07 -2.01 -2.32 114.58 121.41 1ydg h GLU 155 Ca -0.33 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 1ydg h GLU 155 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1ydg h GLU 155 CO 0.54 0.00 -0.22 -0.24 -1.40 0.00 0.00 179.01 177.69 1ydg h VAL 156 N 0.00 1.08 0.16 3.13 3.04 -1.96 -2.75 116.25 118.95 1ydg h VAL 156 Ca 0.07 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 1ydg h VAL 156 Cb 0.29 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1ydg h VAL 156 CO -0.00 0.22 -0.07 0.40 -1.01 0.00 0.00 177.57 177.10 1ydg h ILE 157 N 0.00 0.87 -0.54 3.17 1.08 -1.77 -2.34 117.51 117.98 1ydg h ILE 157 Ca -0.00 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.47 1ydg h ILE 157 Cb 0.41 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 1ydg h ILE 157 CO 0.03 0.02 0.11 -0.26 -0.69 0.00 0.00 178.15 177.37 1ydg h PHE 158 N -0.25 0.18 0.00 1.37 0.04 -1.65 0.59 116.94 117.22 1ydg h PHE 158 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1ydg h PHE 158 Cb 0.20 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1ydg h PHE 158 CO -0.05 -0.01 -0.03 0.87 -0.60 0.00 0.00 178.31 178.49 1ydg h LYS 159 N 0.25 0.00 -0.06 1.51 1.57 -1.20 -2.68 116.57 115.96 1ydg h LYS 159 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ydg h LYS 159 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ydg h LYS 159 CO -0.35 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.43 1ydg n SER 160 N -4.08 2.20 0.00 0.86 3.41 -0.91 -4.89 113.62 110.21 1ydg n SER 160 Ca -0.03 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1ydg n SER 160 Cb 0.12 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1ydg n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ydg n GLY 161 N 1.26 1.07 2.73 5.00 0.00 -1.01 -4.86 105.19 109.38 1ydg n GLY 161 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ydg n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 162 N 0.00 -0.25 3.40 -0.02 0.00 0.16 -4.97 105.19 103.51 1ydg n GLY 162 Ca 0.00 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1ydg n GLY 162 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ydg s ASN 163 N -3.77 6.20 0.26 1.61 3.84 -1.26 -4.92 114.94 116.89 1ydg s ASN 163 Ca 0.09 -1.21 0.25 0.00 0.21 0.00 0.00 52.86 52.21 1ydg s ASN 163 Cb -0.01 -2.29 0.87 0.00 -0.55 0.00 0.00 41.25 39.27 1ydg s ASN 163 CO 0.52 -1.01 1.75 1.55 -2.79 0.00 0.00 177.10 177.13 1ydg h PRO 164 N 9.09 0.00 0.00 0.43 0.13 -1.95 -3.19 132.00 136.51 1ydg h PRO 164 Ca -0.29 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 1ydg h PRO 164 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1ydg h PRO 164 CO 1.04 0.00 -0.78 1.88 -0.23 0.00 0.00 178.00 179.91 1ydg h TYR 165 N 0.00 0.00 0.00 1.56 0.99 -1.91 0.11 116.97 117.72 1ydg h TYR 165 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ydg h TYR 165 Cb 0.61 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.34 1ydg h TYR 165 CO 0.00 0.63 0.00 0.41 -0.00 0.00 0.00 178.16 179.20 1ydg n GLY 166 N 1.29 2.42 3.70 3.88 0.00 -1.21 -4.55 105.19 110.72 1ydg n GLY 166 Ca -0.01 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1ydg n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg n ALA 167 N -0.84 2.36 -3.48 4.61 0.00 -1.25 -4.74 120.51 117.18 1ydg n ALA 167 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.62 1ydg n ALA 167 Cb 0.00 -2.48 -0.16 0.00 0.00 0.00 0.00 19.45 16.80 1ydg n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ydg s SER 168 N 1.28 1.35 -0.14 0.00 1.04 -1.26 -0.90 113.70 115.08 1ydg s SER 168 Ca 0.77 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.98 1ydg s SER 168 Cb -0.55 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.95 1ydg s SER 168 CO 0.34 0.00 -0.13 -0.69 0.98 0.00 0.00 173.24 173.74 1ydg s VAL 169 N 0.70 2.98 -0.57 5.02 1.01 -0.59 -4.98 120.40 123.97 1ydg s VAL 169 Ca -0.12 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 1ydg s VAL 169 Cb -0.14 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ydg s VAL 169 CO 0.02 0.52 1.26 -0.89 0.00 0.00 0.00 175.10 176.01 1ydg s THR 170 N 0.47 3.95 -0.19 3.92 2.01 -1.26 -2.00 115.64 122.54 1ydg s THR 170 Ca -0.10 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 1ydg s THR 170 Cb -0.16 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.70 1ydg s THR 170 CO 0.05 -1.28 1.37 0.00 -0.69 0.00 0.00 174.62 174.06 1ydg s ALA 171 N 5.26 3.54 -0.02 7.40 0.00 0.70 -4.86 121.76 133.79 1ydg s ALA 171 Ca 0.46 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1ydg s ALA 171 Cb -0.08 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1ydg s ALA 171 CO 0.25 -1.44 0.86 0.27 0.00 0.00 0.00 175.76 175.71 1ydg n ASN 172 N 7.14 1.24 0.00 0.00 6.94 -1.26 -4.41 115.26 124.91 1ydg n ASN 172 Ca 0.15 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 1ydg n ASN 172 Cb 0.45 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1ydg n ASN 172 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ydg n GLY 173 N -0.41 2.08 3.56 4.83 0.00 -1.26 -5.03 105.19 108.96 1ydg n GLY 173 Ca 0.02 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1ydg n GLY 173 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ydg n GLN 174 N 0.00 -0.12 -0.72 1.61 -0.06 -1.26 -4.98 117.38 111.85 1ydg n GLN 174 Ca 0.00 0.03 -0.30 0.00 -2.00 0.00 0.00 57.00 54.73 1ydg n GLN 174 Cb 0.00 -2.13 0.18 0.00 -4.06 0.00 0.00 30.24 24.24 1ydg n GLN 174 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1ydg s PRO 175 N -3.86 0.54 0.06 3.69 0.02 -1.26 -4.93 135.00 129.26 1ydg s PRO 175 Ca 0.65 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 1ydg s PRO 175 Cb -0.26 -1.69 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 1ydg s PRO 175 CO 0.59 -2.87 1.65 -0.51 -0.33 0.00 0.00 177.00 175.53 1ydg s LEU 176 N -6.72 4.36 0.42 -5.54 1.02 -1.26 -4.98 118.68 105.98 1ydg s LEU 176 Ca 0.67 2.47 -0.25 0.00 0.02 0.00 0.00 54.13 57.03 1ydg s LEU 176 Cb -0.23 -3.56 -0.08 0.00 0.02 0.00 0.00 46.19 42.34 1ydg s LEU 176 CO 0.60 -0.88 1.30 -0.76 0.02 0.00 0.00 176.35 176.62 1ydg s LEU 177 N 2.67 4.16 0.49 1.79 1.43 -1.26 -4.87 118.68 123.10 1ydg s LEU 177 Ca 0.74 2.63 0.16 0.00 -1.03 0.00 0.00 54.13 56.63 1ydg s LEU 177 Cb -0.39 -3.97 1.20 0.00 0.03 0.00 0.00 46.19 43.06 1ydg s LEU 177 CO 0.32 -0.92 2.08 -0.08 0.23 0.00 0.00 176.35 177.98 1ydg h GLU 178 N 2.51 0.14 -0.44 1.70 4.57 -1.99 -0.86 114.58 120.21 1ydg h GLU 178 Ca -0.50 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1ydg h GLU 178 Cb 1.25 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.74 1ydg h GLU 178 CO 0.62 0.09 0.00 -0.91 -1.18 0.00 0.00 179.01 177.63 1ydg h ASN 179 N 0.14 -0.18 -0.14 1.04 2.35 -1.93 -0.22 115.58 116.63 1ydg h ASN 179 Ca 0.12 0.10 -0.21 0.00 -0.55 0.00 0.00 56.30 55.76 1ydg h ASN 179 Cb 0.29 0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1ydg h ASN 179 CO -0.02 -0.05 -0.72 0.44 -1.65 0.00 0.00 177.43 175.43 1ydg h ASP 180 N 0.11 0.88 -0.44 5.81 3.32 -1.55 -2.39 116.42 122.16 1ydg h ASP 180 Ca 0.22 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1ydg h ASP 180 Cb 0.32 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1ydg h ASP 180 CO -0.36 1.37 0.20 0.03 -1.72 0.00 0.00 179.24 178.76 1ydg h ARG 181 N 0.45 0.40 -0.46 3.56 3.08 -1.18 -1.03 114.38 119.20 1ydg h ARG 181 Ca -0.05 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1ydg h ARG 181 Cb 1.35 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1ydg h ARG 181 CO 0.15 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1ydg h ALA 182 N 1.25 1.14 -0.38 0.04 0.00 -0.96 -0.13 119.26 120.22 1ydg h ALA 182 Ca 0.19 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1ydg h ALA 182 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ydg h ALA 182 CO -0.15 0.55 -0.30 0.66 0.00 0.00 0.00 179.25 180.01 1ydg h SER 183 N 0.71 0.86 -0.62 0.00 4.64 -1.00 -1.16 113.55 116.98 1ydg h SER 183 Ca 0.14 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1ydg h SER 183 Cb 0.43 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1ydg h SER 183 CO 0.02 1.10 0.34 0.40 -0.87 0.00 0.00 176.83 177.81 1ydg h ILE 184 N 0.70 1.20 -0.36 0.95 2.04 -0.65 -1.87 117.51 119.52 1ydg h ILE 184 Ca 0.08 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1ydg h ILE 184 Cb 0.85 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1ydg h ILE 184 CO 0.07 0.22 0.13 0.03 0.00 0.00 0.00 178.15 178.60 1ydg h ARG 185 N 0.84 0.54 -0.02 2.37 3.08 -0.73 -2.11 114.38 118.36 1ydg h ARG 185 Ca 0.22 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ydg h ARG 185 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1ydg h ARG 185 CO -0.03 0.55 0.01 1.25 -1.07 0.00 0.00 179.97 180.67 1ydg h HIS 186 N 0.43 0.03 -0.43 3.04 2.76 -1.11 0.01 115.15 119.87 1ydg h HIS 186 Ca 0.12 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1ydg h HIS 186 Cb 0.22 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 1ydg h HIS 186 CO 0.00 0.11 -0.21 0.37 -1.30 0.00 0.00 177.93 176.91 1ydg h GLN 187 N -0.06 -0.12 -0.17 5.26 4.15 -1.25 0.96 115.11 123.88 1ydg h GLN 187 Ca 0.01 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.27 1ydg h GLN 187 Cb 0.09 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1ydg h GLN 187 CO -0.00 -0.08 -0.54 0.28 -1.93 0.00 0.00 178.83 176.56 1ydg h VAL 188 N -0.12 1.32 -0.19 2.39 2.07 -1.27 -1.77 116.25 118.68 1ydg h VAL 188 Ca 0.21 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 66.00 1ydg h VAL 188 Cb 0.44 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 1ydg h VAL 188 CO -0.51 0.55 -0.18 -0.09 0.02 0.00 0.00 177.57 177.36 1ydg h ARG 189 N 0.35 -0.19 -0.28 1.57 2.43 -0.83 -0.58 114.38 116.85 1ydg h ARG 189 Ca -0.02 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1ydg h ARG 189 Cb 1.16 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1ydg h ARG 189 CO 0.11 -0.13 0.08 -0.09 -1.51 0.00 0.00 179.97 178.44 1ydg h ARG 190 N -0.20 0.19 -0.57 0.20 2.43 -0.77 -1.18 114.38 114.49 1ydg h ARG 190 Ca 0.12 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1ydg h ARG 190 Cb 0.38 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1ydg h ARG 190 CO -0.31 0.13 0.33 0.37 -1.51 0.00 0.00 179.97 178.98 1ydg h GLN 191 N 0.20 0.63 -0.39 0.20 4.15 -1.02 -0.20 115.11 118.67 1ydg h GLN 191 Ca 0.13 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1ydg h GLN 191 Cb 0.11 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1ydg h GLN 191 CO -0.15 0.42 0.25 0.28 -1.93 0.00 0.00 178.83 177.70 1ydg h VAL 192 N 0.65 1.08 -0.56 2.39 2.07 -0.71 0.28 116.25 121.45 1ydg h VAL 192 Ca 0.23 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1ydg h VAL 192 Cb 0.05 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1ydg h VAL 192 CO -0.11 0.09 0.33 -0.33 0.02 0.00 0.00 177.57 177.57 1ydg h GLU 193 N 0.51 0.77 -0.63 1.57 5.08 -0.99 -0.27 114.58 120.61 1ydg h GLU 193 Ca 0.15 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1ydg h GLU 193 Cb -0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1ydg h GLU 193 CO -0.04 0.56 0.08 -0.07 -1.00 0.00 0.00 179.01 178.54 1ydg h LEU 194 N 0.76 1.02 -0.45 1.33 3.38 -0.83 -2.64 115.31 117.88 1ydg h LEU 194 Ca 0.20 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1ydg h LEU 194 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1ydg h LEU 194 CO -0.04 1.03 -0.08 0.74 0.09 0.00 0.00 178.44 180.19 1ydg h THR 195 N 0.97 1.27 -0.45 0.22 2.02 -0.67 -1.95 112.91 114.32 1ydg h THR 195 Ca 0.19 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1ydg h THR 195 Cb 0.46 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1ydg h THR 195 CO 0.02 0.40 0.17 0.00 0.37 0.00 0.00 175.52 176.48 1ydg h ALA 196 N 0.88 0.54 -0.34 6.16 0.00 -1.00 -1.35 119.26 124.16 1ydg h ALA 196 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ydg h ALA 196 Cb 0.61 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ydg h ALA 196 CO 0.04 -0.22 0.21 0.87 0.00 0.00 0.00 179.25 180.15 1ydg h LYS 197 N 0.35 0.41 -0.33 0.00 1.57 -1.32 0.33 116.57 117.58 1ydg h LYS 197 Ca 0.21 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1ydg h LYS 197 Cb 0.19 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1ydg h LYS 197 CO -0.20 0.27 -0.03 1.25 -0.57 0.00 0.00 179.45 180.17 1ydg h LEU 198 N 0.42 -0.19 -0.32 2.94 6.46 -1.01 -0.44 115.31 123.17 1ydg h LEU 198 Ca 0.13 0.08 -0.16 0.00 -0.12 0.00 0.00 57.88 57.81 1ydg h LEU 198 Cb -0.01 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1ydg h LEU 198 CO -0.06 -0.06 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.19 1ydg h LEU 199 N 0.06 0.94 -0.14 2.25 3.38 -1.05 -2.49 115.31 118.26 1ydg h LEU 199 Ca 0.16 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ydg h LEU 199 Cb 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ydg h LEU 199 CO -0.29 1.26 -0.12 -0.33 0.09 0.00 0.00 178.44 179.04 1ydg h GLU 200 N 0.65 -0.13 0.00 1.13 5.08 -0.10 -2.61 114.58 118.59 1ydg h GLU 200 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ydg h GLU 200 Cb 1.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1ydg h GLU 200 CO 0.10 -0.09 0.00 0.78 -1.00 0.00 0.00 179.01 178.81 1ydg h GLY 201 N -0.14 0.00 -0.33 -3.84 0.00 -1.04 -3.04 103.07 94.67 1ydg h GLY 201 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1ydg h GLY 201 CO -0.22 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.93 1ydg n GLY 202 N 0.02 -0.24 0.00 4.60 0.00 -0.94 -5.10 105.19 103.52 1ydg n GLY 202 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ydg n GLY 202 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06