#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg s ALA 3 N 0.00 3.39 0.47 6.98 0.00 -1.26 -5.01 121.76 126.34 1ydg s ALA 3 Ca 0.00 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1ydg s ALA 3 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1ydg s ALA 3 CO 0.00 -0.35 1.41 -2.14 0.00 0.00 0.00 175.76 174.68 1ydg s PRO 4 N 0.28 3.56 0.25 0.00 0.02 -1.26 -4.95 135.00 132.90 1ydg s PRO 4 Ca 0.54 2.37 -0.31 0.00 0.02 0.00 0.00 61.00 63.62 1ydg s PRO 4 Cb -0.30 -2.56 -0.13 0.00 0.02 0.00 0.00 34.50 31.52 1ydg s PRO 4 CO 0.33 -0.90 1.38 0.28 -0.33 0.00 0.00 177.00 177.75 1ydg n VAL 5 N -0.39 1.10 -3.29 3.83 0.31 -1.26 -4.60 118.33 114.03 1ydg n VAL 5 Ca 0.06 -0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 1ydg n VAL 5 Cb 0.43 -1.46 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.62 3.66 -0.18 5.55 1.02 -1.26 -0.46 119.74 127.46 1ydg s LYS 6 Ca 0.66 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.48 1ydg s LYS 6 Cb -0.65 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 32.89 1ydg s LYS 6 CO 0.52 -0.58 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.01 1ydg s LEU 7 N 2.28 2.21 -0.22 3.17 2.96 -0.11 -0.17 118.68 128.80 1ydg s LEU 7 Ca 0.17 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1ydg s LEU 7 Cb -0.16 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1ydg s LEU 7 CO 0.12 0.02 0.04 0.00 -1.32 0.00 0.00 176.35 175.21 1ydg s ALA 8 N 1.20 3.12 -0.40 5.97 0.00 -0.60 -0.89 121.76 130.17 1ydg s ALA 8 Ca 0.03 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1ydg s ALA 8 Cb -0.14 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1ydg s ALA 8 CO -0.10 -0.29 0.27 0.42 0.00 0.00 0.00 175.76 176.06 1ydg s ILE 9 N 1.25 4.90 -0.25 0.00 -1.09 0.17 -1.07 121.20 125.11 1ydg s ILE 9 Ca 0.04 -0.85 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 1ydg s ILE 9 Cb -0.15 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1ydg s ILE 9 CO 0.02 -0.33 0.02 -0.69 -1.23 0.00 0.00 174.94 172.73 1ydg s VAL 10 N 1.60 3.71 0.00 2.92 1.01 0.37 -0.88 120.40 129.14 1ydg s VAL 10 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ydg s VAL 10 Cb -0.20 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1ydg s VAL 10 CO 0.08 0.29 -0.06 0.72 0.00 0.00 0.00 175.10 176.13 1ydg s PHE 11 N 1.50 0.51 -0.09 5.22 -0.12 -0.75 -1.18 117.98 123.07 1ydg s PHE 11 Ca 0.05 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.73 1ydg s PHE 11 Cb -0.15 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.87 1ydg s PHE 11 CO -0.00 -0.02 0.09 -0.47 -0.05 0.00 0.00 175.22 174.77 1ydg s TYR 12 N -0.31 3.42 -0.13 3.49 5.04 -0.17 -0.27 117.35 128.42 1ydg s TYR 12 Ca 0.00 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.95 1ydg s TYR 12 Cb -0.03 -1.86 0.06 0.00 0.35 0.00 0.00 41.96 40.47 1ydg s TYR 12 CO -0.00 0.63 0.30 0.45 -1.34 0.00 0.00 175.55 175.58 1ydg s SER 13 N -1.13 -0.11 -0.12 4.32 0.15 -1.26 -4.18 113.70 111.38 1ydg s SER 13 Ca 0.16 0.66 -0.05 0.00 0.70 0.00 0.00 55.95 57.42 1ydg s SER 13 Cb -0.12 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1ydg s SER 13 CO 0.06 -0.20 -0.03 0.28 1.20 0.00 0.00 173.24 174.55 1ydg h SER 14 N 7.63 0.00 -0.39 5.45 0.02 -1.96 -3.43 113.55 120.87 1ydg h SER 14 Ca -0.29 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 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 0.26 0.64 0.00 0.35 -1.14 0.00 0.00 176.83 176.94 1ydg n THR 15 N -4.70 1.90 0.00 -2.27 -2.24 -1.26 -4.18 114.28 101.52 1ydg n THR 15 Ca -0.04 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 1ydg n THR 15 Cb 0.13 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.20 1.66 0.10 3.38 0.00 -1.26 -4.80 105.19 104.46 1ydg n GLY 16 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 1.31 -0.31 2.61 2.02 -1.96 -1.74 112.91 114.83 1ydg h THR 17 Ca 0.00 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1ydg h THR 17 Cb 0.00 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1ydg h THR 17 CO 0.00 0.29 0.07 1.23 0.37 0.00 0.00 175.52 177.48 1ydg h GLY 18 N -0.13 0.48 0.92 2.16 0.00 -1.93 -1.59 103.07 102.98 1ydg h GLY 18 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1ydg h GLY 18 CO 0.01 0.23 0.08 -1.82 0.00 0.00 0.00 176.54 175.04 1ydg h TYR 19 N 0.44 0.60 -0.67 5.60 3.20 -1.82 0.14 116.97 124.46 1ydg h TYR 19 Ca 0.11 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ydg h TYR 19 Cb 0.18 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1ydg h TYR 19 CO 0.01 0.60 0.36 0.00 -1.64 0.00 0.00 178.16 177.49 1ydg h ALA 20 N 0.93 0.86 -0.47 1.82 0.00 -0.87 -0.37 119.26 121.16 1ydg h ALA 20 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 20 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ydg h ALA 20 CO 0.00 0.38 0.16 0.52 0.00 0.00 0.00 179.25 180.32 1ydg h MET 21 N 0.92 0.72 -0.41 0.00 2.86 -1.12 -1.96 114.93 115.94 1ydg h MET 21 Ca 0.24 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1ydg h MET 21 Cb 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1ydg h MET 21 CO -0.04 0.67 -0.20 0.00 1.06 0.00 0.00 176.91 178.40 1ydg h ALA 22 N 1.02 0.88 -0.72 6.32 0.00 -0.43 -0.56 119.26 125.77 1ydg h ALA 22 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ydg h ALA 22 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ydg h ALA 22 CO -0.01 0.63 0.41 1.96 0.00 0.00 0.00 179.25 182.24 1ydg h GLN 23 N 0.70 1.00 -0.55 0.00 4.20 -0.95 0.17 115.11 119.68 1ydg h GLN 23 Ca 0.10 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1ydg h GLN 23 Cb 0.71 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1ydg h GLN 23 CO 0.05 0.74 0.27 1.49 -0.67 0.00 0.00 178.83 180.72 1ydg h GLU 24 N 0.99 0.79 -0.34 1.46 4.57 -0.90 -1.56 114.58 119.57 1ydg h GLU 24 Ca 0.26 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1ydg h GLU 24 Cb 0.02 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1ydg h GLU 24 CO -0.04 0.63 0.15 0.00 -1.18 0.00 0.00 179.01 178.57 1ydg h ALA 25 N 1.11 0.41 -0.74 2.92 0.00 -0.77 -1.47 119.26 120.72 1ydg h ALA 25 Ca 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ydg h ALA 25 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ydg h ALA 25 CO -0.03 -0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.37 1ydg h ALA 26 N 1.19 0.96 -0.62 0.00 0.00 -0.35 -0.65 119.26 119.78 1ydg h ALA 26 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ydg h ALA 26 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ydg h ALA 26 CO -0.12 0.50 0.10 0.93 0.00 0.00 0.00 179.25 180.66 1ydg h GLU 27 N 1.04 1.03 -0.65 0.00 5.08 -1.16 -1.49 114.58 118.42 1ydg h GLU 27 Ca 0.26 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ydg h GLU 27 Cb 0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ydg h GLU 27 CO -0.04 0.96 0.22 0.00 -1.00 0.00 0.00 179.01 179.16 1ydg h ALA 28 N 1.03 0.85 -0.35 3.43 0.00 -0.96 0.02 119.26 123.28 1ydg h ALA 28 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ydg h ALA 28 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ydg h ALA 28 CO 0.01 0.51 0.23 0.78 0.00 0.00 0.00 179.25 180.78 1ydg h GLY 29 N 0.94 0.50 0.98 0.00 0.00 -0.94 -0.43 103.07 104.12 1ydg h GLY 29 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1ydg h GLY 29 CO -0.01 0.19 0.26 3.21 0.00 0.00 0.00 176.54 180.19 1ydg h ARG 30 N 0.47 0.51 -0.16 4.80 3.08 -1.10 -1.31 114.38 120.68 1ydg h ARG 30 Ca 0.13 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1ydg h ARG 30 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1ydg h ARG 30 CO -0.03 0.34 0.07 0.00 -1.07 0.00 0.00 179.97 179.28 1ydg h ALA 31 N 1.16 1.83 0.00 0.04 0.00 -0.74 -0.20 119.26 121.34 1ydg h ALA 31 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ydg h ALA 31 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ydg h ALA 31 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1ydg n ALA 32 N -2.51 2.63 -0.70 0.00 0.00 -0.19 -4.89 120.51 114.84 1ydg n ALA 32 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ydg n ALA 32 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.85 0.67 3.86 0.00 0.00 -0.09 -4.96 105.19 105.52 1ydg n GLY 33 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.14 3.07 -0.26 4.61 0.00 -0.52 -4.46 121.76 122.05 1ydg s ALA 34 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 1ydg s ALA 34 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1ydg s ALA 34 CO 0.00 -0.53 0.69 -2.00 0.00 0.00 0.00 175.76 173.92 1ydg s GLU 35 N -4.72 4.11 -0.09 0.00 2.12 0.39 -4.34 118.70 116.17 1ydg s GLU 35 Ca 0.57 0.65 0.01 0.00 0.36 0.00 0.00 54.97 56.56 1ydg s GLU 35 Cb -0.11 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1ydg s GLU 35 CO 0.45 -0.46 -0.12 0.08 -0.54 0.00 0.00 175.26 174.67 1ydg s VAL 36 N 2.62 3.23 -0.20 3.70 1.01 -1.26 -0.93 120.40 128.58 1ydg s VAL 36 Ca 0.29 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ydg s VAL 36 Cb -0.15 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1ydg s VAL 36 CO 0.08 0.56 -0.05 -0.13 0.00 0.00 0.00 175.10 175.56 1ydg s ARG 37 N -0.24 3.43 -0.27 2.72 0.52 -0.06 -4.98 118.95 120.07 1ydg s ARG 37 Ca 0.02 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1ydg s ARG 37 Cb -0.13 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1ydg s ARG 37 CO 0.03 -0.08 0.34 -1.17 0.02 0.00 0.00 175.30 174.44 1ydg s LEU 38 N 1.17 4.04 -0.05 2.53 2.96 -1.26 -0.65 118.68 127.42 1ydg s LEU 38 Ca 0.02 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1ydg s LEU 38 Cb -0.14 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.19 1ydg s LEU 38 CO -0.01 -0.15 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.07 1ydg s LEU 39 N 1.97 1.14 0.18 -0.68 1.43 -0.06 -4.26 118.68 118.40 1ydg s LEU 39 Ca 0.14 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1ydg s LEU 39 Cb -0.16 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.54 1ydg s LEU 39 CO 0.10 -0.09 0.51 -1.59 0.23 0.00 0.00 176.35 175.50 1ydg s LYS 40 N 1.21 3.81 0.01 1.70 -2.85 0.39 -1.82 119.74 122.20 1ydg s LYS 40 Ca -0.06 0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.88 1ydg s LYS 40 Cb -0.14 -2.78 -0.04 0.00 -2.06 0.00 0.00 37.83 32.82 1ydg s LYS 40 CO -0.02 0.40 0.93 0.08 0.10 0.00 0.00 175.35 176.85 1ydg s VAL 41 N -1.67 4.82 0.15 1.79 1.01 0.62 0.06 120.40 127.18 1ydg s VAL 41 Ca 0.43 1.97 -0.34 0.00 0.00 0.00 0.00 61.98 64.04 1ydg s VAL 41 Cb -0.12 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1ydg s VAL 41 CO 0.21 0.21 1.26 -1.14 0.00 0.00 0.00 175.10 175.64 1ydg n ARG 42 N 3.63 1.28 -2.84 2.72 0.63 -1.26 -4.85 116.66 115.97 1ydg n ARG 42 Ca 0.04 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 57.01 1ydg n ARG 42 Cb 0.51 -2.03 -0.04 0.00 0.45 0.00 0.00 32.46 31.35 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 -0.02 4.36 -0.02 -0.14 2.56 -1.26 -4.87 118.70 119.32 1ydg s GLU 43 Ca 0.77 1.13 0.18 0.00 0.00 0.00 0.00 54.97 57.05 1ydg s GLU 43 Cb -0.86 -3.54 -0.25 0.00 2.00 0.00 0.00 34.13 31.47 1ydg s GLU 43 CO 0.49 -0.26 0.51 0.25 -0.56 0.00 0.00 175.26 175.69 1ydg n THR 44 N 4.53 0.00 -1.67 -1.70 -2.24 -1.26 -5.02 114.28 106.92 1ydg n THR 44 Ca 0.05 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1ydg n THR 44 Cb 0.49 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1ydg n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ydg n ALA 45 N -1.91 0.86 -1.75 6.98 0.00 -1.26 -4.94 120.51 118.50 1ydg n ALA 45 Ca -0.01 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 1ydg n ALA 45 Cb 0.41 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 17.71 1ydg n ALA 45 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ydg s PRO 46 N -1.86 2.98 0.39 0.00 0.02 -1.26 -4.84 135.00 130.43 1ydg s PRO 46 Ca 0.57 1.97 0.08 0.00 0.02 0.00 0.00 61.00 63.64 1ydg s PRO 46 Cb -0.59 -2.02 0.82 0.00 0.02 0.00 0.00 34.50 32.73 1ydg s PRO 46 CO 0.61 -1.24 1.99 0.37 -0.33 0.00 0.00 177.00 178.40 1ydg h GLN 47 N 1.03 0.62 0.00 5.54 5.75 -1.99 -1.28 115.11 124.79 1ydg h GLN 47 Ca -0.51 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.95 1ydg h GLN 47 Cb 1.30 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.71 1ydg h GLN 47 CO 0.56 0.41 -0.04 0.38 -2.65 0.00 0.00 178.83 177.49 1ydg h ASP 48 N 0.64 0.00 0.07 -0.69 -0.00 -1.97 0.30 116.42 114.77 1ydg h ASP 48 Ca 0.26 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 57.11 1ydg h ASP 48 Cb 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.56 1ydg h ASP 48 CO -0.08 0.04 -0.76 0.58 -0.00 0.00 0.00 179.24 179.03 1ydg h VAL 49 N 0.00 1.44 -0.74 4.15 2.07 -1.61 -3.27 116.25 118.29 1ydg h VAL 49 Ca -0.00 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.25 1ydg h VAL 49 Cb 0.61 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1ydg h VAL 49 CO 0.00 0.66 0.48 0.40 0.02 0.00 0.00 177.57 179.14 1ydg h ILE 50 N -0.17 1.13 0.00 4.57 2.04 -1.10 -2.26 117.51 121.71 1ydg h ILE 50 Ca -0.11 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ydg h ILE 50 Cb 1.51 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ydg h ILE 50 CO 0.15 0.17 0.01 0.47 0.00 0.00 0.00 178.15 178.95 1ydg n ASP 51 N -4.62 0.23 0.04 1.72 8.00 0.10 -2.33 116.55 119.68 1ydg n ASP 51 Ca 0.08 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.31 1ydg n ASP 51 Cb 0.07 -0.63 0.46 0.00 -0.02 0.00 0.00 41.12 41.01 1ydg n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ydg n GLY 52 N -1.41 -1.51 2.77 0.44 0.00 -0.85 -4.83 105.19 99.79 1ydg n GLY 52 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.04 0.45 0.17 1.61 -0.21 -0.99 -5.04 119.66 112.61 1ydg s GLN 53 Ca 0.12 0.14 -0.14 0.00 0.02 0.00 0.00 55.36 55.50 1ydg s GLN 53 Cb 0.16 -0.82 0.14 0.00 1.00 0.00 0.00 33.01 33.50 1ydg s GLN 53 CO 0.59 -0.27 1.75 0.22 -2.12 0.00 0.00 175.29 175.45 1ydg h ASP 54 N 8.15 0.14 0.74 5.90 -0.00 -1.88 -1.95 116.42 127.52 1ydg h ASP 54 Ca -0.22 0.06 -0.07 0.00 -0.00 0.00 0.00 57.03 56.80 1ydg h ASP 54 Cb 1.13 0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 40.50 1ydg h ASP 54 CO 0.28 0.11 -0.32 0.00 -0.00 0.00 0.00 179.24 179.32 1ydg h ALA 55 N 1.31 1.08 0.12 -0.78 0.00 -1.94 -0.10 119.26 118.95 1ydg h ALA 55 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ydg h ALA 55 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ydg h ALA 55 CO -0.23 0.39 -0.06 2.35 0.00 0.00 0.00 179.25 181.71 1ydg h TRP 56 N 0.00 -0.15 -0.53 0.00 2.91 -1.64 -1.42 115.95 115.12 1ydg h TRP 56 Ca -0.00 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.10 1ydg h TRP 56 Cb 0.77 0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 29.40 1ydg h TRP 56 CO 0.00 0.34 0.14 0.87 -1.03 0.00 0.00 178.44 178.76 1ydg h LYS 57 N -0.80 0.28 -0.63 2.65 1.57 -1.29 -1.47 116.57 116.89 1ydg h LYS 57 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ydg h LYS 57 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1ydg h LYS 57 CO 0.03 0.19 0.34 0.00 -0.57 0.00 0.00 179.45 179.43 1ydg h ALA 58 N 1.39 0.81 -0.39 3.86 0.00 -1.05 -2.78 119.26 121.11 1ydg h ALA 58 Ca 0.27 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1ydg h ALA 58 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ydg h ALA 58 CO -0.31 0.34 -0.31 -0.97 0.00 0.00 0.00 179.25 177.99 1ydg h ASN 59 N 0.87 0.90 -0.54 0.00 -1.24 -0.86 0.33 115.58 115.03 1ydg h ASN 59 Ca 0.22 -0.37 0.07 0.00 0.71 0.00 0.00 56.30 56.92 1ydg h ASN 59 Cb 0.06 -0.25 -0.06 0.00 0.73 0.00 0.00 38.32 38.80 1ydg h ASN 59 CO -0.03 1.14 0.23 0.40 -1.29 0.00 0.00 177.43 177.87 1ydg h ILE 60 N 0.72 0.87 -0.45 2.57 2.04 -1.13 -0.25 117.51 121.89 1ydg h ILE 60 Ca 0.08 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 1ydg h ILE 60 Cb 0.87 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1ydg h ILE 60 CO 0.08 0.08 -0.09 -0.08 0.00 0.00 0.00 178.15 178.14 1ydg h GLU 61 N 0.44 0.85 -0.06 2.37 4.57 -1.20 -2.73 114.58 118.83 1ydg h GLU 61 Ca 0.25 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1ydg h GLU 61 Cb 0.24 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1ydg h GLU 61 CO -0.22 0.95 -0.02 0.00 -1.18 0.00 0.00 179.01 178.53 1ydg h ALA 62 N 0.87 1.86 -0.32 2.92 0.00 -0.31 -1.80 119.26 122.48 1ydg h ALA 62 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ydg h ALA 62 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ydg h ALA 62 CO 0.04 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 178.07 1ydg n MET 63 N -4.46 1.90 -0.28 0.00 2.81 -0.16 -4.64 117.12 112.29 1ydg n MET 63 Ca -0.02 -1.38 0.12 0.00 -1.81 0.00 0.00 57.70 54.61 1ydg n MET 63 Cb 0.14 -1.35 0.38 0.00 -0.71 0.00 0.00 33.22 31.67 1ydg n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ydg h LYS 64 N 2.43 0.67 -0.00 0.03 3.64 -1.13 0.23 116.57 122.44 1ydg h LYS 64 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ydg h LYS 64 Cb 0.55 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ydg h LYS 64 CO 0.00 0.44 -0.31 -0.25 -2.27 0.00 0.00 179.45 177.06 1ydg n ASP 65 N -4.58 0.67 -4.68 4.20 10.43 -1.26 -4.82 116.55 116.51 1ydg n ASP 65 Ca 0.18 -0.50 -0.43 0.00 2.57 0.00 0.00 54.79 56.61 1ydg n ASP 65 Cb 0.49 0.11 -0.02 0.00 1.84 0.00 0.00 41.12 43.53 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 -2.72 4.49 0.57 2.53 1.01 0.07 -5.00 120.40 121.35 1ydg s VAL 66 Ca 0.19 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 1ydg s VAL 66 Cb 0.19 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ydg s VAL 66 CO 0.58 -0.04 1.28 -2.84 0.00 0.00 0.00 175.10 174.08 1ydg s PRO 67 N 2.41 3.02 0.04 2.72 0.02 -1.26 -4.66 135.00 137.29 1ydg s PRO 67 Ca 0.52 2.02 -0.27 0.00 0.02 0.00 0.00 61.00 63.29 1ydg s PRO 67 Cb -0.21 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 1ydg s PRO 67 CO 0.18 -1.22 0.85 -2.00 -0.33 0.00 0.00 177.00 174.48 1ydg s GLU 68 N -3.12 4.56 0.30 5.54 2.12 -1.26 -0.46 118.70 126.37 1ydg s GLU 68 Ca 0.75 1.21 -0.29 0.00 0.36 0.00 0.00 54.97 57.00 1ydg s GLU 68 Cb -0.35 -3.39 -0.10 0.00 0.26 0.00 0.00 34.13 30.54 1ydg s GLU 68 CO 0.40 0.18 1.27 0.00 -0.54 0.00 0.00 175.26 176.57 1ydg s ALA 69 N 0.25 3.49 0.13 6.30 0.00 0.11 -4.83 121.76 127.21 1ydg s ALA 69 Ca 0.43 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.60 1ydg s ALA 69 Cb -0.21 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1ydg s ALA 69 CO 0.25 -0.54 -0.09 0.95 0.00 0.00 0.00 175.76 176.34 1ydg s THR 70 N -0.88 1.00 0.34 0.00 -4.23 -1.26 -4.77 115.64 105.85 1ydg s THR 70 Ca 0.50 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1ydg s THR 70 Cb -0.38 -1.79 0.33 0.00 1.34 0.00 0.00 72.50 72.00 1ydg s THR 70 CO 0.48 -0.79 1.79 -0.65 -0.54 0.00 0.00 174.62 174.91 1ydg h PRO 71 N 2.84 0.62 -0.06 3.99 0.11 -1.94 -1.73 132.00 135.84 1ydg h PRO 71 Ca -0.36 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.73 1ydg h PRO 71 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ydg h PRO 71 CO 0.64 0.41 0.09 0.00 -0.21 0.00 0.00 178.00 178.93 1ydg h ALA 72 N 1.64 1.48 -0.70 -0.75 0.00 -1.99 -0.22 119.26 118.72 1ydg h ALA 72 Ca 0.56 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 1ydg h ALA 72 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1ydg h ALA 72 CO -0.34 -0.12 0.23 -0.44 0.00 0.00 0.00 179.25 178.59 1ydg h ASP 73 N 0.00 0.99 0.36 0.00 3.32 -1.73 -0.72 116.42 118.64 1ydg h ASP 73 Ca 0.03 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 56.70 1ydg h ASP 73 Cb 0.20 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ydg h ASP 73 CO -0.00 0.91 -0.85 -0.07 -1.72 0.00 0.00 179.24 177.51 1ydg h LEU 74 N 1.03 0.45 -0.95 1.55 3.38 -1.17 -0.75 115.31 118.84 1ydg h LEU 74 Ca 0.23 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ydg h LEU 74 Cb 0.27 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1ydg h LEU 74 CO -0.01 1.11 0.61 -0.08 0.09 0.00 0.00 178.44 180.17 1ydg h GLU 75 N 0.22 1.27 -0.38 1.13 4.81 -1.33 -2.89 114.58 117.41 1ydg h GLU 75 Ca -0.05 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1ydg h GLU 75 Cb 1.46 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1ydg h GLU 75 CO 0.14 0.85 -0.10 2.35 -0.73 0.00 0.00 179.01 181.52 1ydg h TRP 76 N 1.30 0.84 -4.05 0.92 7.01 -1.03 -3.46 115.95 117.48 1ydg h TRP 76 Ca 0.35 -0.18 -0.53 0.00 2.11 0.00 0.00 58.89 60.63 1ydg h TRP 76 Cb -0.12 -0.20 0.11 0.00 -2.10 0.00 0.00 29.16 26.85 1ydg h TRP 76 CO -0.00 0.89 0.52 0.00 -2.79 0.00 0.00 178.44 177.06 1ydg s ALA 77 N -4.76 2.75 -0.07 2.65 0.00 -0.30 -4.88 121.76 117.15 1ydg s ALA 77 Ca -0.13 1.10 0.17 0.00 0.00 0.00 0.00 51.96 53.11 1ydg s ALA 77 Cb 0.10 -3.47 -0.25 0.00 0.00 0.00 0.00 23.12 19.49 1ydg s ALA 77 CO 0.81 -1.11 0.28 0.39 0.00 0.00 0.00 175.76 176.14 1ydg n GLU 78 N -1.11 0.78 -4.32 0.00 1.02 0.76 -4.95 120.64 112.84 1ydg n GLU 78 Ca 0.11 -0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1ydg n GLU 78 Cb 0.48 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.97 0.92 -0.07 0.62 0.00 -0.41 -1.97 121.76 117.88 1ydg s ALA 79 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1ydg s ALA 79 Cb 0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1ydg s ALA 79 CO 0.72 0.02 -0.22 0.42 0.00 0.00 0.00 175.76 176.69 1ydg s ILE 80 N 0.85 2.26 -0.08 0.00 1.01 0.64 -1.56 121.20 124.32 1ydg s ILE 80 Ca -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1ydg s ILE 80 Cb -0.15 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 1ydg s ILE 80 CO 0.01 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 174.59 1ydg s VAL 81 N -0.07 2.01 -0.12 2.92 1.01 -0.23 -1.91 120.40 124.00 1ydg s VAL 81 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1ydg s VAL 81 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1ydg s VAL 81 CO 0.04 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.27 1ydg s PHE 82 N 0.16 2.95 -0.08 5.22 0.40 -0.91 -0.48 117.98 125.24 1ydg s PHE 82 Ca -0.13 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1ydg s PHE 82 Cb -0.16 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.53 1ydg s PHE 82 CO 0.07 0.04 -0.10 0.45 0.70 0.00 0.00 175.22 176.38 1ydg s SER 83 N -0.01 1.81 -0.01 1.36 0.15 -0.33 -0.63 113.70 116.04 1ydg s SER 83 Ca -0.00 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1ydg s SER 83 Cb -0.14 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1ydg s SER 83 CO 0.03 -0.03 0.02 -0.55 1.20 0.00 0.00 173.24 173.91 1ydg s SER 84 N 1.06 -0.01 0.73 5.45 0.15 -0.95 -0.99 113.70 119.13 1ydg s SER 84 Ca -0.07 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 1ydg s SER 84 Cb -0.14 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1ydg s SER 84 CO -0.01 -0.01 1.16 -2.16 1.20 0.00 0.00 173.24 173.41 1ydg s PRO 85 N -0.02 2.27 0.29 5.44 0.04 -1.26 -3.51 135.00 138.24 1ydg s PRO 85 Ca -0.00 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1ydg s PRO 85 Cb -0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1ydg s PRO 85 CO 0.00 -1.69 1.06 -0.08 0.04 0.00 0.00 177.00 176.32 1ydg s THR 86 N -2.26 3.65 -0.25 1.26 -1.32 0.96 -3.65 115.64 114.03 1ydg s THR 86 Ca 0.70 1.60 0.02 0.00 -1.21 0.00 0.00 61.69 62.79 1ydg s THR 86 Cb -0.24 -3.99 0.06 0.00 -1.51 0.00 0.00 72.50 66.82 1ydg s THR 86 CO 0.46 0.33 -0.07 -0.13 -2.21 0.00 0.00 174.62 173.01 1ydg s ARG 87 N -1.55 1.82 -1.62 7.08 1.81 0.42 -4.83 118.95 122.08 1ydg s ARG 87 Ca 0.46 -1.16 -0.12 0.00 -1.72 0.00 0.00 55.73 53.19 1ydg s ARG 87 Cb -0.29 -2.71 0.11 0.00 -0.45 0.00 0.00 34.95 31.60 1ydg s ARG 87 CO 0.37 -0.61 0.61 1.19 -0.68 0.00 0.00 175.30 176.18 1ydg n PHE 88 N 4.57 -1.65 -1.00 -0.53 3.72 -1.26 -1.73 117.46 119.58 1ydg n PHE 88 Ca -0.12 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 1ydg n PHE 88 Cb 0.43 -3.10 0.00 0.00 -0.94 0.00 0.00 39.48 35.87 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 -1.64 0.54 3.61 1.37 0.00 -1.26 -5.01 105.19 102.80 1ydg n GLY 89 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 2.76 0.74 -0.02 0.00 -0.71 -2.97 107.32 105.12 1ydg s GLY 90 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 1ydg s GLY 90 CO 0.00 -1.98 1.08 0.00 0.00 0.00 0.00 173.10 172.20 1ydg s ALA 91 N -3.07 2.51 0.68 3.20 0.00 -1.26 -0.44 121.76 123.38 1ydg s ALA 91 Ca 0.17 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1ydg s ALA 91 Cb 0.02 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1ydg s ALA 91 CO 0.10 -1.43 1.25 0.95 0.00 0.00 0.00 175.76 176.63 1ydg s THR 92 N -3.09 2.20 0.52 0.00 -4.23 -1.24 -4.52 115.64 105.28 1ydg s THR 92 Ca 0.59 0.11 0.22 0.00 -1.18 0.00 0.00 61.69 61.44 1ydg s THR 92 Cb -0.14 -2.88 0.36 0.00 1.34 0.00 0.00 72.50 71.17 1ydg s THR 92 CO 0.55 -0.04 2.04 0.77 -0.54 0.00 0.00 174.62 177.40 1ydg h SER 93 N 0.19 0.02 -0.40 3.99 4.64 -1.96 -0.77 113.55 119.26 1ydg h SER 93 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1ydg h SER 93 Cb 1.31 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1ydg h SER 93 CO 0.52 0.01 0.01 1.56 -0.87 0.00 0.00 176.83 178.06 1ydg h GLN 94 N 0.02 0.70 -0.17 4.77 7.50 -1.90 0.58 115.11 126.60 1ydg h GLN 94 Ca 0.18 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 1ydg h GLN 94 Cb 0.70 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1ydg h GLN 94 CO -0.01 0.78 -0.01 1.98 -1.50 0.00 0.00 178.83 180.07 1ydg h MET 95 N 0.53 0.30 -0.76 1.46 4.05 -1.69 -2.32 114.93 116.50 1ydg h MET 95 Ca 0.11 -0.10 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1ydg h MET 95 Cb 0.46 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 1ydg h MET 95 CO 0.02 0.54 0.50 0.00 0.23 0.00 0.00 176.91 178.20 1ydg h ARG 96 N 0.03 0.93 -0.83 0.39 2.47 -0.88 -0.53 114.38 115.96 1ydg h ARG 96 Ca 0.05 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1ydg h ARG 96 Cb 0.41 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1ydg h ARG 96 CO 0.01 0.62 0.54 0.00 0.56 0.00 0.00 179.97 181.70 1ydg h ALA 97 N 1.55 1.07 0.09 0.04 0.00 0.37 0.59 119.26 122.97 1ydg h ALA 97 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ydg h ALA 97 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1ydg h ALA 97 CO -0.08 0.42 -0.04 0.35 0.00 0.00 0.00 179.25 179.90 1ydg h PHE 98 N 1.09 -0.11 -0.92 0.00 3.57 -0.78 -2.78 116.94 117.00 1ydg h PHE 98 Ca 0.32 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.95 1ydg h PHE 98 Cb -0.07 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 1ydg h PHE 98 CO -0.02 -0.01 0.53 0.82 -2.23 0.00 0.00 178.31 177.40 1ydg h ILE 99 N -0.19 0.80 0.00 1.41 2.04 -0.70 -0.67 117.51 120.21 1ydg h ILE 99 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ydg h ILE 99 Cb 0.15 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1ydg h ILE 99 CO 0.02 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.78 1ydg n ASP 100 N -4.76 0.58 -0.03 1.72 8.00 0.16 -1.52 116.55 120.71 1ydg n ASP 100 Ca 0.18 0.66 0.14 0.00 0.71 0.00 0.00 54.79 56.49 1ydg n ASP 100 Cb 0.42 -0.78 0.67 0.00 -0.02 0.00 0.00 41.12 41.41 1ydg n ASP 100 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ydg n THR 101 N -2.16 0.00 1.16 -3.53 -2.24 -0.26 -4.10 114.28 103.15 1ydg n THR 101 Ca 0.02 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1ydg n THR 101 Cb 0.19 -0.36 0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.27 1.43 -0.22 3.22 4.77 -0.57 -4.40 117.00 119.96 1ydg n LEU 102 Ca 0.12 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.32 1ydg n LEU 102 Cb 0.28 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1ydg n LEU 102 CO 0.25 0.36 0.99 1.23 -1.33 0.00 0.00 177.39 178.89 1ydg h GLY 103 N 5.41 0.99 0.80 -0.72 0.00 -1.78 -0.90 103.07 106.88 1ydg h GLY 103 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1ydg h GLY 103 CO 0.00 0.50 -0.03 -1.33 0.00 0.00 0.00 176.54 175.69 1ydg h GLY 104 N 0.86 0.39 0.74 4.60 0.00 -1.93 0.67 103.07 108.39 1ydg h GLY 104 Ca 0.21 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.28 1ydg h GLY 104 CO -0.02 0.28 0.46 1.41 0.00 0.00 0.00 176.54 178.68 1ydg h LEU 105 N 0.10 0.72 -0.18 3.11 3.38 -1.84 -1.68 115.31 118.91 1ydg h LEU 105 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ydg h LEU 105 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ydg h LEU 105 CO 0.02 0.47 0.10 -0.25 0.09 0.00 0.00 178.44 178.86 1ydg h TRP 106 N 0.85 0.25 -0.48 1.13 7.01 -1.02 -2.63 115.95 121.07 1ydg h TRP 106 Ca 0.33 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.44 1ydg h TRP 106 Cb 0.15 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1ydg h TRP 106 CO -0.05 0.25 0.33 0.77 -2.79 0.00 0.00 178.44 176.95 1ydg h SER 107 N 0.18 0.12 0.51 2.65 0.02 -0.51 -1.19 113.55 115.33 1ydg h SER 107 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ydg h SER 107 Cb 0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ydg h SER 107 CO -0.01 0.07 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.15 1ydg n SER 108 N -4.43 0.20 0.00 3.07 3.41 -0.66 -4.91 113.62 110.30 1ydg n SER 108 Ca 0.08 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1ydg n SER 108 Cb 0.46 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1ydg n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ydg n GLY 109 N 1.30 0.61 0.35 5.00 0.00 -0.45 -4.93 105.19 107.07 1ydg n GLY 109 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1ydg n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ydg n LYS 110 N -2.12 1.45 -0.00 1.61 5.02 -1.01 -3.12 118.16 119.98 1ydg n LYS 110 Ca 0.00 -0.69 0.10 0.00 -2.02 0.00 0.00 58.31 55.70 1ydg n LYS 110 Cb 0.05 -1.21 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 1ydg n LYS 110 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ydg n LEU 111 N 0.01 0.49 -4.76 -0.35 4.77 -1.26 -4.68 117.00 111.23 1ydg n LEU 111 Ca 0.09 -0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.44 1ydg n LEU 111 Cb 0.18 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1ydg n LEU 111 CO 0.07 0.12 0.96 0.00 -1.33 0.00 0.00 177.39 177.21 1ydg s ALA 112 N -3.19 2.91 0.00 -1.18 0.00 -1.18 -3.34 121.76 115.77 1ydg s ALA 112 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1ydg s ALA 112 Cb 0.14 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ydg s ALA 112 CO 0.86 -1.17 0.00 0.09 0.00 0.00 0.00 175.76 175.53 1ydg n ASN 113 N -0.79 -3.51 -4.82 0.00 3.02 -0.37 -4.95 115.26 103.85 1ydg n ASN 113 Ca 0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 1ydg n ASN 113 Cb 0.45 -1.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.02 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 -0.71 4.20 0.50 3.52 1.02 -1.21 -4.67 119.74 122.39 1ydg s LYS 114 Ca 0.00 0.82 -0.19 0.00 0.02 0.00 0.00 55.97 56.63 1ydg s LYS 114 Cb 0.00 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1ydg s LYS 114 CO 0.00 0.34 1.01 0.95 -0.92 0.00 0.00 175.35 176.74 1ydg s THR 115 N -1.62 4.05 -0.10 2.17 -4.23 -0.83 -1.23 115.64 113.85 1ydg s THR 115 Ca 0.45 1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 62.07 1ydg s THR 115 Cb -0.15 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1ydg s THR 115 CO 0.20 -0.39 0.22 0.12 -0.54 0.00 0.00 174.62 174.23 1ydg s PHE 116 N -2.24 -0.29 0.21 3.99 5.36 -0.51 -0.26 117.98 124.24 1ydg s PHE 116 Ca 0.64 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 57.29 1ydg s PHE 116 Cb -0.14 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 1ydg s PHE 116 CO 0.24 -0.22 0.20 -1.54 -1.46 0.00 0.00 175.22 172.44 1ydg s SER 117 N 1.21 0.15 0.06 6.13 1.04 -0.80 -0.40 113.70 121.09 1ydg s SER 117 Ca -0.09 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.00 1ydg s SER 117 Cb -0.10 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1ydg s SER 117 CO -0.08 -0.90 0.01 0.00 0.98 0.00 0.00 173.24 173.25 1ydg s ALA 118 N -4.11 0.42 0.05 5.32 0.00 -1.26 -2.14 121.76 120.03 1ydg s ALA 118 Ca 0.36 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1ydg s ALA 118 Cb 0.05 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1ydg s ALA 118 CO 0.12 -0.40 0.05 -1.64 0.00 0.00 0.00 175.76 173.89 1ydg s MET 119 N -3.92 0.59 0.36 0.00 -1.94 0.20 -3.88 119.30 110.72 1ydg s MET 119 Ca 0.07 -0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 53.04 1ydg s MET 119 Cb 0.08 0.22 0.03 0.00 2.01 0.00 0.00 34.83 37.17 1ydg s MET 119 CO -0.10 -0.14 0.63 -0.08 -0.01 0.00 0.00 175.02 175.33 1ydg s THR 120 N -3.05 0.00 0.11 2.05 -1.32 -0.42 -2.25 115.64 110.76 1ydg s THR 120 Ca -0.01 -1.29 -0.16 0.00 -1.21 0.00 0.00 61.69 59.02 1ydg s THR 120 Cb 0.02 -2.72 0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1ydg s THR 120 CO -0.07 0.00 0.40 -0.94 -2.21 0.00 0.00 174.62 171.80 1ydg s SER 121 N -3.14 -0.24 0.22 8.08 1.04 -1.23 -2.00 113.70 116.42 1ydg s SER 121 Ca 0.22 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.30 1ydg s SER 121 Cb -0.03 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1ydg s SER 121 CO 0.15 -0.82 0.34 0.00 0.98 0.00 0.00 173.24 173.90 1ydg s ALA 122 N -3.57 0.19 0.04 5.32 0.00 -0.82 -0.03 121.76 122.90 1ydg s ALA 122 Ca 0.01 -1.10 0.20 0.00 0.00 0.00 0.00 51.96 51.07 1ydg s ALA 122 Cb 0.01 1.11 0.58 0.00 0.00 0.00 0.00 23.12 24.83 1ydg s ALA 122 CO -0.10 -0.74 1.68 1.96 0.00 0.00 0.00 175.76 178.56 1ydg h GLN 123 N 2.42 0.00 -6.44 0.00 4.20 -1.87 1.03 115.11 114.44 1ydg h GLN 123 Ca -0.30 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.77 1ydg h GLN 123 Cb 1.25 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.89 1ydg h GLN 123 CO 0.43 0.34 -0.70 -0.80 -0.67 0.00 0.00 178.83 177.43 1ydg s ASN 124 N -6.34 4.66 0.15 1.46 0.01 -1.26 -4.49 114.94 109.13 1ydg s ASN 124 Ca 0.02 -0.34 -0.14 0.00 -0.71 0.00 0.00 52.86 51.69 1ydg s ASN 124 Cb 0.09 -0.98 0.02 0.00 0.41 0.00 0.00 41.25 40.80 1ydg s ASN 124 CO 0.68 0.15 1.67 0.58 -1.51 0.00 0.00 177.10 178.67 1ydg h VAL 125 N 2.93 1.23 -0.74 1.60 2.07 -1.96 -2.92 116.25 118.46 1ydg h VAL 125 Ca -0.48 -0.78 -0.41 0.00 0.82 0.00 0.00 66.70 65.85 1ydg h VAL 125 Cb 1.18 0.82 -0.24 0.00 -1.52 0.00 0.00 31.29 31.53 1ydg h VAL 125 CO 0.56 0.28 0.34 0.59 0.02 0.00 0.00 177.57 179.36 1ydg n ASN 126 N -4.50 3.71 -1.98 0.57 4.13 -1.26 -4.81 115.26 111.12 1ydg n ASN 126 Ca 0.01 -3.71 -0.21 0.00 1.68 0.00 0.00 54.58 52.35 1ydg n ASN 126 Cb 0.20 -0.76 0.09 0.00 -1.54 0.00 0.00 39.78 37.77 1ydg n ASN 126 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ydg n GLY 127 N -1.10 4.37 0.00 7.41 0.00 -1.10 -4.77 105.19 110.00 1ydg n GLY 127 Ca 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.39 0.83 0.19 -0.02 0.00 -1.26 -4.52 105.19 100.01 1ydg n GLY 128 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 1ydg n GLY 128 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ydg h GLN 129 N 3.14 -0.04 -0.65 1.61 7.50 -1.87 -0.52 115.11 124.27 1ydg h GLN 129 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.13 1ydg h GLN 129 Cb 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 1ydg h GLN 129 CO 0.00 -0.03 0.30 0.93 -1.50 0.00 0.00 178.83 178.53 1ydg h GLU 130 N -0.04 0.94 -0.13 1.46 5.08 -1.94 -0.85 114.58 119.09 1ydg h GLU 130 Ca 0.19 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1ydg h GLU 130 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ydg h GLU 130 CO -0.43 0.76 -0.33 1.79 -1.00 0.00 0.00 179.01 179.80 1ydg h THR 131 N 0.90 1.27 -0.38 1.13 1.35 -1.73 -1.14 112.91 114.31 1ydg h THR 131 Ca 0.22 -1.32 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 1ydg h THR 131 Cb 0.13 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1ydg h THR 131 CO -0.03 0.40 0.08 0.74 -0.25 0.00 0.00 175.52 176.46 1ydg h THR 132 N 0.23 1.23 -0.12 6.82 2.02 -0.08 -0.16 112.91 122.85 1ydg h THR 132 Ca 0.03 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1ydg h THR 132 Cb 0.70 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1ydg h THR 132 CO 0.05 0.28 0.07 -0.07 0.37 0.00 0.00 175.52 176.22 1ydg h LEU 133 N 0.47 0.15 -0.47 2.58 3.38 -0.99 -2.68 115.31 117.75 1ydg h LEU 133 Ca 0.12 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1ydg h LEU 133 Cb 0.33 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1ydg h LEU 133 CO 0.00 0.18 -0.02 -0.61 0.09 0.00 0.00 178.44 178.08 1ydg h GLN 134 N 0.11 0.09 -0.43 1.13 4.15 -0.81 -0.27 115.11 119.08 1ydg h GLN 134 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1ydg h GLN 134 Cb 0.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1ydg h GLN 134 CO -0.01 0.06 0.28 1.79 -1.93 0.00 0.00 178.83 179.02 1ydg h THR 135 N 0.09 1.11 -0.24 2.39 1.35 -0.90 0.17 112.91 116.88 1ydg h THR 135 Ca 0.24 -0.20 -0.19 0.00 -0.55 0.00 0.00 66.41 65.70 1ydg h THR 135 Cb 0.35 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1ydg h THR 135 CO -0.41 0.11 -0.60 -0.07 -0.25 0.00 0.00 175.52 174.29 1ydg h LEU 136 N 0.58 0.95 -0.52 3.87 3.38 -0.88 -2.44 115.31 120.25 1ydg h LEU 136 Ca 0.16 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1ydg h LEU 136 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1ydg h LEU 136 CO -0.03 1.34 0.02 1.88 0.09 0.00 0.00 178.44 181.74 1ydg h TYR 137 N 0.60 0.98 -0.61 1.13 0.05 -0.63 -2.43 116.97 116.06 1ydg h TYR 137 Ca -0.01 -0.16 0.03 0.00 0.05 0.00 0.00 58.73 58.64 1ydg h TYR 137 Cb 1.22 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.66 1ydg h TYR 137 CO 0.08 0.90 0.37 0.52 -1.05 0.00 0.00 178.16 178.99 1ydg h MET 138 N 0.78 0.72 -0.56 4.88 2.86 -0.92 -1.66 114.93 121.02 1ydg h MET 138 Ca 0.15 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1ydg h MET 138 Cb 0.50 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1ydg h MET 138 CO 0.02 0.48 0.23 1.15 1.06 0.00 0.00 176.91 179.85 1ydg h THR 139 N 0.74 0.84 0.00 2.22 2.02 -1.38 -2.16 112.91 115.19 1ydg h THR 139 Ca 0.24 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1ydg h THR 139 Cb 0.01 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1ydg h THR 139 CO -0.10 0.08 -0.10 0.00 0.37 0.00 0.00 175.52 175.77 1ydg h ALA 140 N 1.36 1.78 -0.37 6.16 0.00 -0.84 -2.27 119.26 125.07 1ydg h ALA 140 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ydg h ALA 140 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ydg h ALA 140 CO -0.25 0.12 -0.01 0.52 0.00 0.00 0.00 179.25 179.64 1ydg h MET 141 N 0.00 0.58 -0.05 0.00 2.86 -0.65 -1.53 114.93 116.14 1ydg h MET 141 Ca -0.00 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1ydg h MET 141 Cb 0.18 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1ydg h MET 141 CO 0.01 0.61 0.05 0.45 1.06 0.00 0.00 176.91 179.10 1ydg h HIS 142 N 0.56 0.00 -0.00 -0.22 3.86 -1.37 -1.80 115.15 116.18 1ydg h HIS 142 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1ydg h HIS 142 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ydg h HIS 142 CO 0.01 0.00 -0.25 0.91 0.86 0.00 0.00 177.93 179.46 1ydg n TRP 143 N -3.97 0.00 -2.66 2.45 8.01 -0.60 -4.94 117.44 115.73 1ydg n TRP 143 Ca -0.02 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.01 1ydg n TRP 143 Cb 0.15 -0.25 0.02 0.00 -2.01 0.00 0.00 31.31 29.21 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 1.41 -0.21 3.77 6.99 0.00 -0.68 -3.23 105.19 113.24 1ydg n GLY 144 Ca 0.10 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.93 2.34 -0.41 4.61 0.00 -1.06 -1.24 121.76 123.07 1ydg s ALA 145 Ca 0.16 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1ydg s ALA 145 Cb -0.07 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1ydg s ALA 145 CO 0.19 -1.57 0.35 0.08 0.00 0.00 0.00 175.76 174.81 1ydg s VAL 146 N -2.65 5.20 -0.11 0.00 1.01 -0.36 -4.84 120.40 118.65 1ydg s VAL 146 Ca 0.64 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 1ydg s VAL 146 Cb -0.19 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ydg s VAL 146 CO 0.50 -0.34 0.82 -0.76 0.00 0.00 0.00 175.10 175.32 1ydg s LEU 147 N 1.85 4.25 -0.58 3.92 1.43 -1.26 -1.43 118.68 126.86 1ydg s LEU 147 Ca 0.08 1.26 0.06 0.00 -1.03 0.00 0.00 54.13 54.50 1ydg s LEU 147 Cb -0.18 -3.25 0.32 0.00 0.03 0.00 0.00 46.19 43.11 1ydg s LEU 147 CO 0.11 -0.29 0.88 0.35 0.23 0.00 0.00 176.35 177.63 1ydg n THR 148 N 4.30 2.67 -1.64 5.49 -2.24 0.47 -4.90 114.28 118.43 1ydg n THR 148 Ca 0.03 -5.42 -0.32 0.00 -2.27 0.00 0.00 64.05 56.07 1ydg n THR 148 Cb 0.50 -1.52 0.06 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.13 2.68 0.41 -0.78 0.04 -1.26 -4.70 135.00 128.25 1ydg s PRO 149 Ca 0.46 1.32 0.19 0.00 0.04 0.00 0.00 61.00 63.01 1ydg s PRO 149 Cb 0.25 -1.94 0.88 0.00 0.04 0.00 0.00 34.50 33.73 1ydg s PRO 149 CO -0.10 -1.33 1.85 -1.00 0.04 0.00 0.00 177.00 176.45 1ydg h PRO 150 N -0.26 0.00 0.00 0.56 0.13 -1.80 -3.49 132.00 127.14 1ydg h PRO 150 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ydg h PRO 150 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ydg h PRO 150 CO 0.53 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1ydg n GLY 151 N -0.21 1.92 1.82 1.56 0.00 0.09 -2.65 105.19 107.72 1ydg n GLY 151 Ca -0.01 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 10.76 2.32 0.73 1.61 4.02 -1.26 -4.22 117.16 131.12 1ydg n TYR 152 Ca 0.00 -2.22 0.08 0.00 -0.01 0.00 0.00 57.90 55.76 1ydg n TYR 152 Cb 0.00 -0.70 0.40 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.92 0.60 -4.39 -0.72 -2.24 -1.09 -4.61 114.28 100.92 1ydg n THR 153 Ca 0.46 0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 62.19 1ydg n THR 153 Cb 0.94 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.67 2.50 0.00 3.42 -1.08 -1.26 -5.04 116.67 112.53 1ydg s ASP 154 Ca 0.14 -1.17 0.15 0.00 -0.52 0.00 0.00 52.55 51.15 1ydg s ASP 154 Cb 0.11 -0.12 0.51 0.00 -1.46 0.00 0.00 42.92 41.96 1ydg s ASP 154 CO 0.26 -0.36 1.39 1.21 0.52 0.00 0.00 175.17 178.19 1ydg n GLU 155 N -0.51 1.73 0.00 4.34 2.13 -1.26 -3.45 120.64 123.63 1ydg n GLU 155 Ca -0.06 -1.13 0.12 0.00 0.66 0.00 0.00 57.16 56.76 1ydg n GLU 155 Cb 0.63 -1.32 0.20 0.00 0.27 0.00 0.00 31.44 31.22 1ydg n GLU 155 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ydg n VAL 156 N 0.38 0.00 0.06 6.31 3.14 -1.26 -3.26 118.33 123.70 1ydg n VAL 156 Ca 0.13 -0.34 -0.11 0.00 -2.96 0.00 0.00 64.34 61.06 1ydg n VAL 156 Cb 0.30 1.09 -0.08 0.00 -1.06 0.00 0.00 33.84 34.09 1ydg n VAL 156 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1ydg h ILE 157 N 3.22 0.82 -0.86 1.55 1.08 -1.90 -2.21 117.51 119.22 1ydg h ILE 157 Ca 0.00 -1.09 0.11 0.00 -0.39 0.00 0.00 64.86 63.49 1ydg h ILE 157 Cb 0.77 1.37 -0.13 0.00 -3.07 0.00 0.00 36.82 35.77 1ydg h ILE 157 CO 0.00 0.21 -0.48 -0.26 -0.69 0.00 0.00 178.15 176.93 1ydg h PHE 158 N -0.86 -1.44 0.00 1.37 -1.00 -1.77 1.07 116.94 114.31 1ydg h PHE 158 Ca -0.02 0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1ydg h PHE 158 Cb 0.52 0.75 -0.01 0.00 3.61 0.00 0.00 35.95 40.82 1ydg h PHE 158 CO 0.08 -0.40 -0.20 0.87 -1.61 0.00 0.00 178.31 177.05 1ydg h LYS 159 N -0.08 0.00 0.00 1.51 1.57 -1.60 -1.93 116.57 116.04 1ydg h LYS 159 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ydg h LYS 159 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1ydg h LYS 159 CO -0.87 0.20 0.00 -1.13 -0.57 0.00 0.00 179.45 177.07 1ydg n SER 160 N -3.77 0.00 0.00 0.86 3.41 -0.61 -4.79 113.62 108.72 1ydg n SER 160 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1ydg n SER 160 Cb 0.30 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.36 1.23 1.95 5.00 0.00 -0.73 -4.72 105.19 109.27 1ydg n GLY 161 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.46 -0.72 3.11 -0.02 0.00 0.36 -4.92 105.19 102.55 1ydg n GLY 162 Ca 0.00 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.94 5.16 0.51 1.61 3.84 -1.26 -4.95 114.94 117.91 1ydg s ASN 163 Ca 0.03 -1.97 0.30 0.00 0.21 0.00 0.00 52.86 51.43 1ydg s ASN 163 Cb -0.01 -1.79 1.30 0.00 -0.55 0.00 0.00 41.25 40.20 1ydg s ASN 163 CO 0.23 -0.50 1.97 1.55 -2.79 0.00 0.00 177.10 177.57 1ydg h PRO 164 N 7.99 0.00 0.00 0.43 0.13 -1.96 -2.99 132.00 135.60 1ydg h PRO 164 Ca -0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 1ydg h PRO 164 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1ydg h PRO 164 CO 0.66 0.10 -0.56 1.88 -0.23 0.00 0.00 178.00 179.85 1ydg h TYR 165 N 0.00 0.00 0.00 1.56 0.99 -1.93 0.31 116.97 117.91 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 0.52 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.25 1ydg h TYR 165 CO 0.00 0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.91 1ydg n GLY 166 N 1.21 3.61 3.68 3.88 0.00 -1.13 -4.57 105.19 111.88 1ydg n GLY 166 Ca 0.01 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.29 1.35 -3.71 4.61 0.00 -1.25 -4.71 120.51 115.50 1ydg n ALA 167 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1ydg n ALA 167 Cb 0.00 -2.31 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 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 0.44 -0.03 -0.01 0.00 1.04 -1.26 -1.30 113.70 112.59 1ydg s SER 168 Ca 0.70 0.49 0.04 0.00 0.48 0.00 0.00 55.95 57.66 1ydg s SER 168 Cb -0.64 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1ydg s SER 168 CO 0.47 -0.19 -0.10 -0.69 0.98 0.00 0.00 173.24 173.71 1ydg s VAL 169 N 1.58 3.37 -0.41 5.02 1.01 -0.85 -4.98 120.40 125.15 1ydg s VAL 169 Ca -0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1ydg s VAL 169 Cb -0.11 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1ydg s VAL 169 CO -0.08 0.45 0.75 -0.89 0.00 0.00 0.00 175.10 175.33 1ydg s THR 170 N -0.91 4.72 -0.23 3.92 2.01 -1.26 -1.94 115.64 121.96 1ydg s THR 170 Ca 0.15 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 1ydg s THR 170 Cb -0.11 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 1ydg s THR 170 CO 0.05 -0.56 1.45 0.00 -0.69 0.00 0.00 174.62 174.87 1ydg s ALA 171 N 3.11 3.40 0.00 7.40 0.00 0.36 -4.87 121.76 131.15 1ydg s ALA 171 Ca 0.29 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1ydg s ALA 171 Cb -0.13 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ydg s ALA 171 CO 0.19 -1.71 0.48 0.27 0.00 0.00 0.00 175.76 174.99 1ydg n ASN 172 N 7.74 0.78 0.00 0.00 6.94 -1.26 -4.41 115.26 125.05 1ydg n ASN 172 Ca 0.16 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1ydg n ASN 172 Cb 0.45 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.11 1.66 3.65 4.83 0.00 -1.26 -4.97 105.19 108.99 1ydg n GLY 173 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ydg n GLY 173 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ydg n GLN 174 N 0.00 -0.21 -0.83 1.61 3.00 -1.26 -4.98 117.38 114.71 1ydg n GLN 174 Ca 0.00 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 1ydg n GLN 174 Cb 0.00 -2.33 0.25 0.00 0.00 0.00 0.00 30.24 28.15 1ydg n GLN 174 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1ydg s PRO 175 N -4.31 -1.39 0.38 -1.09 0.02 -1.26 -4.98 135.00 122.37 1ydg s PRO 175 Ca 0.68 0.21 -0.25 0.00 0.02 0.00 0.00 61.00 61.66 1ydg s PRO 175 Cb -0.25 -1.55 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 1ydg s PRO 175 CO 0.56 -3.88 1.08 -0.51 -0.33 0.00 0.00 177.00 173.92 1ydg s LEU 176 N -7.15 4.23 0.58 -5.54 1.02 -1.26 -5.02 118.68 105.54 1ydg s LEU 176 Ca 0.69 2.14 -0.14 0.00 0.02 0.00 0.00 54.13 56.84 1ydg s LEU 176 Cb -0.14 -4.05 -0.05 0.00 0.02 0.00 0.00 46.19 41.97 1ydg s LEU 176 CO 0.58 -0.46 1.01 -0.76 0.02 0.00 0.00 176.35 176.74 1ydg s LEU 177 N -2.38 3.42 0.29 1.79 1.43 -1.26 -4.93 118.68 117.03 1ydg s LEU 177 Ca 0.55 1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 1ydg s LEU 177 Cb -0.26 -4.49 0.47 0.00 0.03 0.00 0.00 46.19 41.94 1ydg s LEU 177 CO 0.32 -0.80 1.92 -0.08 0.23 0.00 0.00 176.35 177.95 1ydg h GLU 178 N 0.25 1.07 -0.34 1.70 4.57 -1.98 -1.34 114.58 118.51 1ydg h GLU 178 Ca -0.45 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 1ydg h GLU 178 Cb 1.19 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1ydg h GLU 178 CO 0.61 0.71 0.10 -0.91 -1.18 0.00 0.00 179.01 178.33 1ydg h ASN 179 N 1.10 0.51 -0.82 1.04 2.35 -1.92 0.30 115.58 118.14 1ydg h ASN 179 Ca 0.37 -0.22 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1ydg h ASN 179 Cb 0.08 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1ydg h ASN 179 CO -0.12 0.59 0.53 0.44 -1.65 0.00 0.00 177.43 177.23 1ydg h ASP 180 N 0.40 0.94 -0.29 5.81 3.32 -1.79 -1.34 116.42 123.47 1ydg h ASP 180 Ca 0.11 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1ydg h ASP 180 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ydg h ASP 180 CO -0.00 0.69 -0.27 0.03 -1.72 0.00 0.00 179.24 177.97 1ydg h ARG 181 N 1.11 0.79 -0.04 3.56 3.08 -0.66 -2.02 114.38 120.20 1ydg h ARG 181 Ca 0.30 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1ydg h ARG 181 Cb -0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1ydg h ARG 181 CO -0.06 0.97 -0.63 0.00 -1.07 0.00 0.00 179.97 179.17 1ydg h ALA 182 N 1.02 0.86 0.00 0.04 0.00 -0.31 -1.86 119.26 119.00 1ydg h ALA 182 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ydg h ALA 182 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ydg h ALA 182 CO 0.07 0.76 -0.00 1.03 0.00 0.00 0.00 179.25 181.10 1ydg h SER 183 N 0.12 -0.00 -0.05 0.00 0.87 -1.04 -1.98 113.55 111.47 1ydg h SER 183 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1ydg h SER 183 Cb 1.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1ydg h SER 183 CO 0.09 0.08 0.03 0.40 -0.53 0.00 0.00 176.83 176.90 1ydg h ILE 184 N -0.08 1.01 -0.58 2.23 2.04 -1.30 -1.80 117.51 119.03 1ydg h ILE 184 Ca -0.00 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1ydg h ILE 184 Cb 0.08 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1ydg h ILE 184 CO 0.00 0.01 0.23 0.03 0.00 0.00 0.00 178.15 178.42 1ydg h ARG 185 N 0.06 0.41 -0.20 2.37 3.08 -1.26 -1.92 114.38 116.92 1ydg h ARG 185 Ca 0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1ydg h ARG 185 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1ydg h ARG 185 CO -0.00 0.27 -0.03 1.25 -1.07 0.00 0.00 179.97 180.39 1ydg h HIS 186 N 0.42 0.42 -0.58 3.04 2.76 -1.22 0.09 115.15 120.08 1ydg h HIS 186 Ca 0.28 -0.09 0.12 0.00 -2.20 0.00 0.00 60.37 58.48 1ydg h HIS 186 Cb 0.32 -0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.08 1ydg h HIS 186 CO -0.15 0.61 0.06 0.37 -1.30 0.00 0.00 177.93 177.51 1ydg h GLN 187 N 0.11 0.17 -0.03 5.26 4.15 -0.98 0.15 115.11 123.95 1ydg h GLN 187 Ca 0.05 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1ydg h GLN 187 Cb 0.46 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1ydg h GLN 187 CO 0.02 0.11 -0.43 0.28 -1.93 0.00 0.00 178.83 176.88 1ydg h VAL 188 N 0.17 1.45 -0.58 2.39 2.07 -1.29 -1.93 116.25 118.54 1ydg h VAL 188 Ca 0.30 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1ydg h VAL 188 Cb 0.47 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 1ydg h VAL 188 CO -0.45 0.55 0.33 -0.09 0.02 0.00 0.00 177.57 177.93 1ydg h ARG 189 N -0.19 0.62 -0.31 1.57 2.43 -0.74 -0.44 114.38 117.32 1ydg h ARG 189 Ca -0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1ydg h ARG 189 Cb 1.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1ydg h ARG 189 CO 0.09 0.41 0.13 -0.09 -1.51 0.00 0.00 179.97 179.00 1ydg h ARG 190 N 0.64 0.47 -0.87 0.20 2.43 -0.73 -1.42 114.38 115.11 1ydg h ARG 190 Ca 0.24 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1ydg h ARG 190 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1ydg h ARG 190 CO -0.13 0.47 0.50 0.37 -1.51 0.00 0.00 179.97 179.67 1ydg h GLN 191 N 0.36 1.19 -0.32 0.20 4.15 -0.86 -0.58 115.11 119.26 1ydg h GLN 191 Ca 0.10 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1ydg h GLN 191 Cb 0.18 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1ydg h GLN 191 CO -0.01 0.86 0.14 0.28 -1.93 0.00 0.00 178.83 178.17 1ydg h VAL 192 N 1.20 1.17 -0.33 2.39 2.07 -0.90 -0.17 116.25 121.69 1ydg h VAL 192 Ca 0.31 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ydg h VAL 192 Cb -0.01 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ydg h VAL 192 CO -0.05 0.18 0.17 -0.33 0.02 0.00 0.00 177.57 177.55 1ydg h GLU 193 N 0.37 0.34 -0.48 1.57 5.08 -0.98 -0.02 114.58 120.46 1ydg h GLU 193 Ca 0.11 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1ydg h GLU 193 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1ydg h GLU 193 CO -0.01 0.22 0.29 -0.07 -1.00 0.00 0.00 179.01 178.44 1ydg h LEU 194 N 0.35 0.47 -0.31 1.33 3.38 -1.00 -2.16 115.31 117.36 1ydg h LEU 194 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ydg h LEU 194 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ydg h LEU 194 CO -0.09 0.34 0.14 0.74 0.09 0.00 0.00 178.44 179.65 1ydg h THR 195 N 0.58 1.17 -0.89 0.22 2.02 -0.68 -1.44 112.91 113.89 1ydg h THR 195 Ca 0.19 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 66.95 1ydg h THR 195 Cb 0.01 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1ydg h THR 195 CO -0.08 0.17 0.55 0.00 0.37 0.00 0.00 175.52 176.54 1ydg h ALA 196 N 0.99 1.23 -0.26 6.16 0.00 -0.95 -0.83 119.26 125.60 1ydg h ALA 196 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ydg h ALA 196 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ydg h ALA 196 CO -0.01 0.30 0.09 0.87 0.00 0.00 0.00 179.25 180.50 1ydg h LYS 197 N 1.00 0.39 -0.74 0.00 1.57 -0.93 -0.19 116.57 117.68 1ydg h LYS 197 Ca 0.39 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1ydg h LYS 197 Cb 0.19 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1ydg h LYS 197 CO -0.18 0.45 0.49 -0.07 -0.57 0.00 0.00 179.45 179.57 1ydg h LEU 198 N 0.26 0.83 -0.39 2.94 3.38 -0.94 0.80 115.31 122.19 1ydg h LEU 198 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1ydg h LEU 198 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ydg h LEU 198 CO -0.00 0.59 -0.13 -0.07 0.09 0.00 0.00 178.44 178.92 1ydg h LEU 199 N 0.98 0.79 -0.67 1.67 3.38 -1.06 -1.55 115.31 118.84 1ydg h LEU 199 Ca 0.28 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ydg h LEU 199 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1ydg h LEU 199 CO -0.08 0.99 0.28 -0.08 0.09 0.00 0.00 178.44 179.64 1ydg h GLU 200 N 0.58 1.00 -0.37 1.13 4.22 -0.72 -1.35 114.58 119.07 1ydg h GLU 200 Ca 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1ydg h GLU 200 Cb 0.66 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1ydg h GLU 200 CO 0.05 0.83 0.17 0.78 -2.18 0.00 0.00 179.01 178.66 1ydg h GLY 201 N 0.95 0.54 2.00 1.92 0.00 -0.75 -1.44 103.07 106.30 1ydg h GLY 201 Ca 0.23 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1ydg h GLY 201 CO -0.02 0.23 -0.29 -1.33 0.00 0.00 0.00 176.54 175.13 1ydg h GLY 202 N 0.62 0.00 0.00 4.60 0.00 -0.80 -3.51 103.07 103.98 1ydg h GLY 202 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ydg h GLY 202 CO -0.02 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.26