#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg s PRO 4 N 0.00 1.14 0.19 0.00 0.02 -1.26 -4.92 135.00 130.17 1ydg s PRO 4 Ca 0.00 1.49 -0.33 0.00 0.02 0.00 0.00 61.00 62.18 1ydg s PRO 4 Cb 0.00 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.64 1ydg s PRO 4 CO 0.00 -2.53 1.54 0.28 -0.33 0.00 0.00 177.00 175.96 1ydg n VAL 5 N -4.16 0.29 -2.82 3.83 0.31 -1.26 -4.57 118.33 109.95 1ydg n VAL 5 Ca 0.11 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 1ydg n VAL 5 Cb 0.52 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.52 3.66 -0.23 5.55 1.02 -1.26 -0.35 119.74 128.65 1ydg s LYS 6 Ca 0.75 0.34 -0.05 0.00 0.02 0.00 0.00 55.97 57.03 1ydg s LYS 6 Cb -0.66 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 32.77 1ydg s LYS 6 CO 0.41 -1.11 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.55 1ydg s LEU 7 N 3.64 3.06 -0.25 3.17 2.96 0.36 -0.81 118.68 130.81 1ydg s LEU 7 Ca 0.37 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 1ydg s LEU 7 Cb -0.11 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1ydg s LEU 7 CO 0.23 -0.03 0.13 0.00 -1.32 0.00 0.00 176.35 175.36 1ydg s ALA 8 N 1.50 3.41 -0.41 5.97 0.00 -0.43 -0.92 121.76 130.89 1ydg s ALA 8 Ca 0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1ydg s ALA 8 Cb -0.15 -2.26 0.07 0.00 0.00 0.00 0.00 23.12 20.79 1ydg s ALA 8 CO -0.02 -0.38 0.25 0.42 0.00 0.00 0.00 175.76 176.03 1ydg s ILE 9 N 1.42 4.26 -0.29 0.00 1.01 0.08 -1.38 121.20 126.31 1ydg s ILE 9 Ca 0.06 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.32 1ydg s ILE 9 Cb -0.15 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1ydg s ILE 9 CO 0.06 -0.46 0.12 -0.69 0.00 0.00 0.00 174.94 173.98 1ydg s VAL 10 N 1.44 4.43 0.02 2.92 1.01 0.79 -0.74 120.40 130.28 1ydg s VAL 10 Ca 0.03 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ydg s VAL 10 Cb -0.22 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1ydg s VAL 10 CO 0.03 0.15 -0.12 0.72 0.00 0.00 0.00 175.10 175.87 1ydg s PHE 11 N 1.60 1.10 -0.12 5.22 -0.12 -0.73 -1.03 117.98 123.90 1ydg s PHE 11 Ca 0.05 -0.29 -0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1ydg s PHE 11 Cb -0.17 -0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 41.52 1ydg s PHE 11 CO 0.05 0.00 0.03 -0.47 -0.05 0.00 0.00 175.22 174.78 1ydg s TYR 12 N -0.61 3.21 -0.08 3.49 5.04 0.13 -0.81 117.35 127.73 1ydg s TYR 12 Ca 0.02 0.12 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1ydg s TYR 12 Cb -0.06 -1.91 0.04 0.00 0.35 0.00 0.00 41.96 40.38 1ydg s TYR 12 CO 0.00 0.34 0.17 0.45 -1.34 0.00 0.00 175.55 175.17 1ydg s SER 13 N -0.38 -0.07 -0.10 4.32 0.15 -1.26 -4.02 113.70 112.33 1ydg s SER 13 Ca 0.08 0.35 -0.06 0.00 0.70 0.00 0.00 55.95 57.02 1ydg s SER 13 Cb -0.12 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1ydg s SER 13 CO 0.02 -0.16 -0.11 0.28 1.20 0.00 0.00 173.24 174.47 1ydg h SER 14 N 7.33 0.00 -0.43 5.45 0.02 -1.96 -3.43 113.55 120.53 1ydg h SER 14 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 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 0.39 0.52 0.00 0.35 -1.14 0.00 0.00 176.83 176.95 1ydg n THR 15 N -4.01 2.27 -0.02 -2.27 -2.24 -1.26 -4.20 114.28 102.55 1ydg n THR 15 Ca -0.04 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 1ydg n THR 15 Cb 0.16 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.19 0.94 0.09 3.38 0.00 -1.26 -4.83 105.19 103.69 1ydg n GLY 16 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 1.27 -0.93 2.61 2.02 -1.96 -2.08 112.91 113.84 1ydg h THR 17 Ca 0.00 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.35 1ydg h THR 17 Cb 0.00 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1ydg h THR 17 CO 0.00 0.24 0.61 1.23 0.37 0.00 0.00 175.52 177.98 1ydg h GLY 18 N -0.13 1.35 0.96 2.16 0.00 -1.91 -1.17 103.07 104.33 1ydg h GLY 18 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1ydg h GLY 18 CO 0.01 0.40 0.17 -1.82 0.00 0.00 0.00 176.54 175.29 1ydg h TYR 19 N 1.17 0.69 -0.23 5.60 3.20 -1.83 0.35 116.97 125.92 1ydg h TYR 19 Ca 0.37 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.19 1ydg h TYR 19 Cb 0.02 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1ydg h TYR 19 CO -0.00 0.60 0.14 0.00 -1.64 0.00 0.00 178.16 177.25 1ydg h ALA 20 N 1.02 0.29 -0.56 1.82 0.00 -1.04 -0.24 119.26 120.55 1ydg h ALA 20 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ydg h ALA 20 Cb 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1ydg h ALA 20 CO -0.01 -0.26 0.34 0.52 0.00 0.00 0.00 179.25 179.84 1ydg h MET 21 N 0.29 0.65 -0.34 0.00 2.86 -0.97 -1.82 114.93 115.60 1ydg h MET 21 Ca 0.09 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1ydg h MET 21 Cb -0.01 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1ydg h MET 21 CO -0.04 0.43 -0.24 0.00 1.06 0.00 0.00 176.91 178.12 1ydg h ALA 22 N 1.25 0.95 -0.58 6.32 0.00 -0.64 -1.05 119.26 125.50 1ydg h ALA 22 Ca 0.22 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ydg h ALA 22 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ydg h ALA 22 CO -0.10 0.61 0.01 1.96 0.00 0.00 0.00 179.25 181.73 1ydg h GLN 23 N 0.58 1.02 -0.04 0.00 4.20 -0.82 -1.17 115.11 118.88 1ydg h GLN 23 Ca 0.08 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1ydg h GLN 23 Cb 0.72 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1ydg h GLN 23 CO 0.06 1.00 -0.13 1.49 -0.67 0.00 0.00 178.83 180.57 1ydg h GLU 24 N 0.91 -0.20 -0.55 1.46 4.57 -1.14 -1.93 114.58 117.70 1ydg h GLU 24 Ca 0.17 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.45 1ydg h GLU 24 Cb 0.54 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.10 1ydg h GLU 24 CO 0.03 -0.13 0.14 0.00 -1.18 0.00 0.00 179.01 177.87 1ydg h ALA 25 N 0.79 0.66 -0.63 2.92 0.00 -0.99 -0.80 119.26 121.21 1ydg h ALA 25 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ydg h ALA 25 Cb 0.28 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ydg h ALA 25 CO -0.16 -0.27 0.36 0.00 0.00 0.00 0.00 179.25 179.18 1ydg h ALA 26 N 1.42 0.80 -0.44 0.00 0.00 -1.00 -1.04 119.26 119.00 1ydg h ALA 26 Ca 0.28 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ydg h ALA 26 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ydg h ALA 26 CO -0.34 0.30 -0.17 1.49 0.00 0.00 0.00 179.25 180.54 1ydg h GLU 27 N 0.85 0.85 -0.68 0.00 4.57 -0.63 -0.42 114.58 119.11 1ydg h GLU 27 Ca 0.22 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1ydg h GLU 27 Cb 0.01 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1ydg h GLU 27 CO -0.04 0.95 0.37 0.00 -1.18 0.00 0.00 179.01 179.11 1ydg h ALA 28 N 1.06 1.36 -0.13 2.92 0.00 -0.88 0.40 119.26 123.99 1ydg h ALA 28 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 28 Cb 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ydg h ALA 28 CO 0.05 0.52 -0.06 0.78 0.00 0.00 0.00 179.25 180.54 1ydg h GLY 29 N 1.01 0.30 0.93 0.00 0.00 -0.65 0.18 103.07 104.83 1ydg h GLY 29 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ydg h GLY 29 CO -0.04 0.24 0.11 3.21 0.00 0.00 0.00 176.54 180.07 1ydg h ARG 30 N -0.06 0.23 -0.06 4.80 3.08 -0.97 -0.02 114.38 121.38 1ydg h ARG 30 Ca 0.03 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ydg h ARG 30 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1ydg h ARG 30 CO 0.02 0.15 0.04 0.00 -1.07 0.00 0.00 179.97 179.11 1ydg h ALA 31 N 1.10 2.05 -0.00 0.04 0.00 -0.85 -0.14 119.26 121.45 1ydg h ALA 31 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ydg h ALA 31 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ydg h ALA 31 CO -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.05 1ydg n ALA 32 N -2.55 2.73 0.00 0.00 0.00 0.04 -4.93 120.51 115.81 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 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.24 0.60 3.82 0.00 0.00 -0.06 -4.95 105.19 105.83 1ydg n GLY 33 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 3.01 -0.17 4.61 0.00 -0.09 -4.49 121.76 122.62 1ydg s ALA 34 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.08 1ydg s ALA 34 Cb 0.00 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1ydg s ALA 34 CO 0.00 -0.02 0.98 -2.00 0.00 0.00 0.00 175.76 174.72 1ydg s GLU 35 N -3.33 4.32 -0.07 0.00 2.12 0.53 -4.18 118.70 118.09 1ydg s GLU 35 Ca 0.63 1.29 0.05 0.00 0.36 0.00 0.00 54.97 57.29 1ydg s GLU 35 Cb -0.11 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1ydg s GLU 35 CO 0.17 -0.45 -0.22 0.08 -0.54 0.00 0.00 175.26 174.30 1ydg s VAL 36 N 2.56 2.32 -0.17 3.70 1.01 -1.26 -0.49 120.40 128.07 1ydg s VAL 36 Ca 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ydg s VAL 36 Cb -0.16 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1ydg s VAL 36 CO 0.12 0.56 -0.16 -0.13 0.00 0.00 0.00 175.10 175.49 1ydg s ARG 37 N -0.07 3.15 -0.37 2.72 0.52 -0.09 -4.99 118.95 119.82 1ydg s ARG 37 Ca -0.05 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1ydg s ARG 37 Cb -0.14 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1ydg s ARG 37 CO 0.04 -0.07 0.24 -1.17 0.02 0.00 0.00 175.30 174.37 1ydg s LEU 38 N 1.02 4.70 -0.08 2.53 2.96 -1.26 -0.74 118.68 127.81 1ydg s LEU 38 Ca -0.02 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1ydg s LEU 38 Cb -0.15 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1ydg s LEU 38 CO -0.04 -0.33 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.78 1ydg s LEU 39 N 1.66 1.56 0.20 -0.68 1.43 0.08 -4.36 118.68 118.58 1ydg s LEU 39 Ca 0.05 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1ydg s LEU 39 Cb -0.18 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 1ydg s LEU 39 CO 0.09 -0.00 0.55 -1.59 0.23 0.00 0.00 176.35 175.63 1ydg s LYS 40 N 0.94 3.87 0.03 1.70 -2.85 -0.51 -1.76 119.74 121.15 1ydg s LYS 40 Ca -0.09 0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 1ydg s LYS 40 Cb -0.15 -2.75 -0.04 0.00 -2.06 0.00 0.00 37.83 32.83 1ydg s LYS 40 CO 0.00 0.38 0.96 0.08 0.10 0.00 0.00 175.35 176.87 1ydg s VAL 41 N -1.68 4.78 0.19 1.79 1.01 0.01 0.00 120.40 126.51 1ydg s VAL 41 Ca 0.44 2.04 -0.33 0.00 0.00 0.00 0.00 61.98 64.13 1ydg s VAL 41 Cb -0.13 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.80 1ydg s VAL 41 CO 0.20 0.21 1.32 -1.14 0.00 0.00 0.00 175.10 175.69 1ydg n ARG 42 N 3.60 1.62 -2.76 2.72 0.63 -1.26 -4.86 116.66 116.35 1ydg n ARG 42 Ca 0.05 0.58 -0.41 0.00 -0.92 0.00 0.00 57.85 57.15 1ydg n ARG 42 Cb 0.51 -2.18 -0.05 0.00 0.45 0.00 0.00 32.46 31.18 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 -0.19 4.73 0.00 -0.14 2.56 -1.26 -4.89 118.70 119.51 1ydg s GLU 43 Ca 0.73 1.42 0.06 0.00 0.00 0.00 0.00 54.97 57.18 1ydg s GLU 43 Cb -0.76 -3.34 -0.06 0.00 2.00 0.00 0.00 34.13 31.97 1ydg s GLU 43 CO 0.49 0.32 0.27 0.25 -0.56 0.00 0.00 175.26 176.04 1ydg n THR 44 N 2.36 0.00 -2.23 -1.70 -2.24 -1.26 -5.06 114.28 104.15 1ydg n THR 44 Ca 0.00 -0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 61.03 1ydg n THR 44 Cb 0.49 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.51 3.22 0.64 6.98 0.00 -1.26 -4.98 121.76 124.85 1ydg s ALA 45 Ca 0.03 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 1ydg s ALA 45 Cb 0.05 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1ydg s ALA 45 CO 0.24 -0.59 1.25 -2.14 0.00 0.00 0.00 175.76 174.51 1ydg s PRO 46 N -2.18 2.65 0.40 0.00 0.02 -1.26 -4.82 135.00 129.81 1ydg s PRO 46 Ca 0.56 1.93 0.09 0.00 0.02 0.00 0.00 61.00 63.59 1ydg s PRO 46 Cb -0.33 -1.87 0.88 0.00 0.02 0.00 0.00 34.50 33.19 1ydg s PRO 46 CO 0.42 -1.49 2.00 0.37 -0.33 0.00 0.00 177.00 177.97 1ydg h GLN 47 N 0.54 0.56 -0.30 5.54 5.75 -1.99 -1.99 115.11 123.21 1ydg h GLN 47 Ca -0.50 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 57.91 1ydg h GLN 47 Cb 1.32 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1ydg h GLN 47 CO 0.53 0.37 -0.05 -0.44 -2.65 0.00 0.00 178.83 176.59 1ydg h ASP 48 N 0.57 0.46 0.04 -0.69 3.32 -1.97 0.27 116.42 118.42 1ydg h ASP 48 Ca 0.25 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ydg h ASP 48 Cb 0.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ydg h ASP 48 CO -0.07 0.56 -0.02 0.58 -1.72 0.00 0.00 179.24 178.57 1ydg h VAL 49 N 0.46 1.26 -0.76 -1.35 2.07 -1.73 -3.08 116.25 113.12 1ydg h VAL 49 Ca 0.10 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1ydg h VAL 49 Cb 0.38 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1ydg h VAL 49 CO 0.02 0.26 0.45 0.40 0.02 0.00 0.00 177.57 178.72 1ydg h ILE 50 N -0.52 1.01 0.00 4.57 2.04 -1.24 -1.79 117.51 121.58 1ydg h ILE 50 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1ydg h ILE 50 Cb 0.47 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1ydg h ILE 50 CO 0.01 0.15 0.07 0.44 0.00 0.00 0.00 178.15 178.82 1ydg h ASP 51 N 0.83 0.00 1.15 1.72 3.32 -0.46 -2.45 116.42 120.53 1ydg h ASP 51 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1ydg h ASP 51 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ydg h ASP 51 CO -0.17 0.00 0.00 1.23 -1.72 0.00 0.00 179.24 178.58 1ydg h GLY 52 N 0.00 0.00 -6.91 2.75 0.00 -1.23 -3.45 103.07 94.23 1ydg h GLY 52 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 1ydg h GLY 52 CO 0.00 0.00 -0.76 1.20 0.00 0.00 0.00 176.54 176.98 1ydg s GLN 53 N -3.28 0.53 0.14 4.80 -0.21 -0.92 -5.04 119.66 115.68 1ydg s GLN 53 Ca 0.06 0.11 -0.14 0.00 0.02 0.00 0.00 55.36 55.42 1ydg s GLN 53 Cb 0.10 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 33.26 1ydg s GLN 53 CO 0.51 -0.27 1.64 0.22 -2.12 0.00 0.00 175.29 175.28 1ydg h ASP 54 N 8.11 0.73 -0.87 5.90 1.82 -1.86 -2.17 116.42 128.08 1ydg h ASP 54 Ca -0.23 -0.24 0.16 0.00 -0.39 0.00 0.00 57.03 56.33 1ydg h ASP 54 Cb 1.13 -0.19 -0.07 0.00 0.68 0.00 0.00 39.33 40.88 1ydg h ASP 54 CO 0.29 0.78 0.57 0.00 -1.61 0.00 0.00 179.24 179.27 1ydg h ALA 55 N 0.98 1.96 0.38 -0.78 0.00 -1.94 -0.03 119.26 119.82 1ydg h ALA 55 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ydg h ALA 55 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ydg h ALA 55 CO 0.00 -0.21 -0.18 2.35 0.00 0.00 0.00 179.25 181.21 1ydg h TRP 56 N 0.58 -0.47 -0.49 0.00 2.91 -1.58 -1.34 115.95 115.56 1ydg h TRP 56 Ca 0.44 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.53 1ydg h TRP 56 Cb 0.85 0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.60 1ydg h TRP 56 CO -0.00 -0.14 0.15 0.87 -1.03 0.00 0.00 178.44 178.29 1ydg h LYS 57 N -0.91 0.30 -0.77 2.65 1.57 -1.18 -1.48 116.57 116.74 1ydg h LYS 57 Ca -0.05 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ydg h LYS 57 Cb 0.54 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1ydg h LYS 57 CO 0.08 0.20 0.50 0.00 -0.57 0.00 0.00 179.45 179.67 1ydg h ALA 58 N 1.35 1.00 -0.21 3.86 0.00 -1.05 -2.78 119.26 121.42 1ydg h ALA 58 Ca 0.24 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1ydg h ALA 58 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ydg h ALA 58 CO -0.27 0.35 -0.53 -0.97 0.00 0.00 0.00 179.25 177.83 1ydg h ASN 59 N 1.01 0.69 -0.44 0.00 -1.24 -0.47 -0.94 115.58 114.20 1ydg h ASN 59 Ca 0.30 -0.37 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1ydg h ASN 59 Cb -0.06 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1ydg h ASN 59 CO -0.08 1.09 0.22 0.40 -1.29 0.00 0.00 177.43 177.77 1ydg h ILE 60 N 0.49 1.17 -0.15 2.57 2.04 -1.22 -0.39 117.51 122.00 1ydg h ILE 60 Ca 0.01 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1ydg h ILE 60 Cb 1.09 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ydg h ILE 60 CO 0.11 0.20 -0.08 -0.08 0.00 0.00 0.00 178.15 178.29 1ydg h GLU 61 N 0.67 0.32 -0.85 2.37 4.57 -1.19 -2.79 114.58 117.68 1ydg h GLU 61 Ca 0.17 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1ydg h GLU 61 Cb 0.09 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 1ydg h GLU 61 CO -0.02 0.66 0.56 0.00 -1.18 0.00 0.00 179.01 179.02 1ydg h ALA 62 N 0.66 1.65 -0.17 2.92 0.00 -0.75 -2.36 119.26 121.22 1ydg h ALA 62 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 62 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ydg h ALA 62 CO 0.02 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 1ydg n MET 63 N -4.51 1.77 -0.02 0.00 2.81 -0.20 -4.62 117.12 112.36 1ydg n MET 63 Ca 0.14 -1.16 0.09 0.00 -1.81 0.00 0.00 57.70 54.96 1ydg n MET 63 Cb 0.29 -1.41 0.49 0.00 -0.71 0.00 0.00 33.22 31.88 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 2.37 0.40 -0.10 0.03 2.10 -1.14 -0.69 116.57 119.54 1ydg h LYS 64 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ydg h LYS 64 Cb 0.52 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ydg h LYS 64 CO 0.00 0.26 0.00 -0.25 -2.00 0.00 0.00 179.45 177.46 1ydg n ASP 65 N -4.47 2.25 -4.67 7.07 10.43 -1.26 -4.84 116.55 121.06 1ydg n ASP 65 Ca 0.06 -1.76 -0.43 0.00 2.57 0.00 0.00 54.79 55.24 1ydg n ASP 65 Cb 0.25 -0.06 -0.02 0.00 1.84 0.00 0.00 41.12 43.13 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 -1.89 4.24 0.68 2.53 1.01 -0.27 -5.00 120.40 121.70 1ydg s VAL 66 Ca 0.34 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 1ydg s VAL 66 Cb 0.20 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ydg s VAL 66 CO 0.31 -0.11 1.12 -2.16 0.00 0.00 0.00 175.10 174.26 1ydg s PRO 67 N 3.25 2.67 0.14 2.72 0.04 -1.26 -4.69 135.00 137.87 1ydg s PRO 67 Ca 0.56 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 1ydg s PRO 67 Cb -0.23 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1ydg s PRO 67 CO 0.17 -1.36 0.80 -1.21 0.04 0.00 0.00 177.00 175.43 1ydg s GLU 68 N -4.11 4.58 0.34 4.56 2.02 -1.26 -1.43 118.70 123.41 1ydg s GLU 68 Ca 0.68 1.18 -0.28 0.00 0.02 0.00 0.00 54.97 56.56 1ydg s GLU 68 Cb -0.21 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.63 1ydg s GLU 68 CO 0.43 0.49 1.30 0.00 0.02 0.00 0.00 175.26 177.50 1ydg s ALA 69 N -0.87 3.46 0.21 5.21 0.00 0.10 -4.81 121.76 125.06 1ydg s ALA 69 Ca 0.37 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1ydg s ALA 69 Cb -0.23 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1ydg s ALA 69 CO 0.26 -0.66 -0.03 0.95 0.00 0.00 0.00 175.76 176.28 1ydg s THR 70 N -1.16 1.08 0.23 0.00 -4.23 -1.26 -4.83 115.64 105.47 1ydg s THR 70 Ca 0.50 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1ydg s THR 70 Cb -0.39 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.45 1ydg s THR 70 CO 0.52 -0.45 1.87 -0.65 -0.54 0.00 0.00 174.62 175.37 1ydg h PRO 71 N 2.56 1.00 -1.11 3.99 0.11 -1.95 -1.87 132.00 134.73 1ydg h PRO 71 Ca -0.38 -0.06 0.33 0.00 0.11 0.00 0.00 66.00 66.00 1ydg h PRO 71 Cb 1.21 -0.22 -0.12 0.00 0.11 0.00 0.00 31.00 31.98 1ydg h PRO 71 CO 0.64 0.66 0.69 0.00 -0.21 0.00 0.00 178.00 179.78 1ydg h ALA 72 N 1.36 2.28 -0.09 -0.75 0.00 -1.98 -0.33 119.26 119.75 1ydg h ALA 72 Ca 0.34 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 1ydg h ALA 72 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ydg h ALA 72 CO -0.13 -0.81 -0.22 -0.44 0.00 0.00 0.00 179.25 177.65 1ydg h ASP 73 N 0.30 0.14 0.88 0.00 3.32 -1.75 -1.48 116.42 117.83 1ydg h ASP 73 Ca 0.70 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.51 1ydg h ASP 73 Cb 1.84 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.33 1ydg h ASP 73 CO -0.42 0.37 -0.98 -0.07 -1.72 0.00 0.00 179.24 176.42 1ydg h LEU 74 N 0.14 0.07 -0.27 1.55 3.38 -1.13 -2.16 115.31 116.89 1ydg h LEU 74 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ydg h LEU 74 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ydg h LEU 74 CO 0.03 1.00 0.12 -0.08 0.09 0.00 0.00 178.44 179.61 1ydg h GLU 75 N 0.02 0.39 -0.74 1.13 4.81 -1.05 -2.90 114.58 116.22 1ydg h GLU 75 Ca -0.03 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1ydg h GLU 75 Cb 1.70 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.96 1ydg h GLU 75 CO 0.13 0.39 0.44 2.35 -0.73 0.00 0.00 179.01 181.59 1ydg h TRP 76 N 0.29 0.81 -4.14 0.92 7.01 -1.29 -3.46 115.95 116.10 1ydg h TRP 76 Ca 0.09 0.03 -0.50 0.00 2.11 0.00 0.00 58.89 60.61 1ydg h TRP 76 Cb 0.13 -0.25 0.08 0.00 -2.10 0.00 0.00 29.16 27.02 1ydg h TRP 76 CO -0.02 0.40 0.40 0.00 -2.79 0.00 0.00 178.44 176.43 1ydg s ALA 77 N -6.08 2.60 -0.08 2.65 0.00 -0.82 -4.88 121.76 115.15 1ydg s ALA 77 Ca -0.13 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1ydg s ALA 77 Cb 0.17 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1ydg s ALA 77 CO 0.77 -0.99 0.00 0.39 0.00 0.00 0.00 175.76 175.93 1ydg n GLU 78 N -1.81 2.14 -5.16 0.00 1.02 0.01 -4.95 120.64 111.90 1ydg n GLU 78 Ca 0.11 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1ydg n GLU 78 Cb 0.51 -1.20 -0.17 0.00 -0.02 0.00 0.00 31.44 30.56 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 -2.19 2.07 -0.06 0.62 0.00 -0.51 -1.06 121.76 120.62 1ydg s ALA 79 Ca -0.06 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1ydg s ALA 79 Cb 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1ydg s ALA 79 CO 0.30 0.29 -0.23 0.42 0.00 0.00 0.00 175.76 176.55 1ydg s ILE 80 N 0.29 1.89 -0.11 0.00 1.01 0.27 -1.31 121.20 123.25 1ydg s ILE 80 Ca -0.16 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1ydg s ILE 80 Cb -0.17 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1ydg s ILE 80 CO 0.08 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.72 1ydg s VAL 81 N -0.01 1.40 -0.12 2.92 1.01 -0.48 -1.79 120.40 123.33 1ydg s VAL 81 Ca -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1ydg s VAL 81 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1ydg s VAL 81 CO 0.04 0.42 0.02 -0.36 0.00 0.00 0.00 175.10 175.22 1ydg s PHE 82 N 1.15 3.20 -0.05 5.22 0.40 -0.95 -0.15 117.98 126.80 1ydg s PHE 82 Ca -0.04 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1ydg s PHE 82 Cb -0.14 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1ydg s PHE 82 CO -0.04 0.36 -0.07 0.45 0.70 0.00 0.00 175.22 176.62 1ydg s SER 83 N -0.47 1.24 -0.01 1.36 0.15 -0.20 -1.16 113.70 114.62 1ydg s SER 83 Ca 0.09 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 1ydg s SER 83 Cb -0.12 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1ydg s SER 83 CO 0.02 -0.02 0.07 -0.55 1.20 0.00 0.00 173.24 173.96 1ydg s SER 84 N 0.80 -0.00 0.76 5.45 0.15 -1.07 -0.69 113.70 119.09 1ydg s SER 84 Ca -0.13 -0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 1ydg s SER 84 Cb -0.15 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1ydg s SER 84 CO 0.02 -0.13 1.13 -2.16 1.20 0.00 0.00 173.24 173.29 1ydg s PRO 85 N -0.48 2.15 0.28 5.44 0.05 -1.26 -2.72 135.00 138.47 1ydg s PRO 85 Ca -0.05 1.42 -0.26 0.00 0.05 0.00 0.00 61.00 62.16 1ydg s PRO 85 Cb -0.03 -1.87 -0.09 0.00 0.05 0.00 0.00 34.50 32.56 1ydg s PRO 85 CO 0.00 -1.76 0.89 -0.08 0.05 0.00 0.00 177.00 176.10 1ydg s THR 86 N -2.52 4.26 -0.22 1.26 -1.32 0.33 -3.61 115.64 113.82 1ydg s THR 86 Ca 0.66 1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 62.88 1ydg s THR 86 Cb -0.21 -4.05 0.07 0.00 -1.51 0.00 0.00 72.50 66.79 1ydg s THR 86 CO 0.50 0.25 0.07 -0.13 -2.21 0.00 0.00 174.62 173.09 1ydg s ARG 87 N -1.81 0.49 -1.59 7.08 1.81 -0.00 -4.87 118.95 120.05 1ydg s ARG 87 Ca 0.46 -0.45 -0.13 0.00 -1.72 0.00 0.00 55.73 53.89 1ydg s ARG 87 Cb -0.20 -1.93 0.10 0.00 -0.45 0.00 0.00 34.95 32.47 1ydg s ARG 87 CO 0.25 -0.74 0.74 1.19 -0.68 0.00 0.00 175.30 176.06 1ydg n PHE 88 N 5.09 -1.84 -0.97 -0.53 3.72 -1.26 -1.26 117.46 120.41 1ydg n PHE 88 Ca -0.07 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 58.14 1ydg n PHE 88 Cb 0.46 -3.39 0.00 0.00 -0.94 0.00 0.00 39.48 35.61 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 -1.61 0.66 3.05 1.37 0.00 -1.26 -5.01 105.19 102.39 1ydg n GLY 89 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1ydg n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 90 N -2.24 3.61 3.82 -0.02 0.00 -0.39 -2.65 105.19 107.31 1ydg n GLY 90 Ca 0.00 -2.34 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 1ydg n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 91 N -2.72 2.26 0.53 4.61 0.00 -1.26 -0.82 121.76 124.35 1ydg s ALA 91 Ca 0.02 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 1ydg s ALA 91 Cb -0.00 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1ydg s ALA 91 CO 0.01 -1.77 1.30 0.95 0.00 0.00 0.00 175.76 176.26 1ydg s THR 92 N -3.24 2.35 0.39 0.00 -4.23 -1.24 -4.53 115.64 105.13 1ydg s THR 92 Ca 0.61 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 61.50 1ydg s THR 92 Cb -0.14 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.92 1ydg s THR 92 CO 0.53 -0.01 1.88 0.77 -0.54 0.00 0.00 174.62 177.25 1ydg h SER 93 N 1.52 0.53 -0.33 3.99 4.64 -1.96 -0.29 113.55 121.65 1ydg h SER 93 Ca -0.50 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1ydg h SER 93 Cb 1.29 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1ydg h SER 93 CO 0.58 0.26 0.01 1.56 -0.87 0.00 0.00 176.83 178.37 1ydg h GLN 94 N 0.55 0.11 -0.31 4.77 7.50 -1.91 0.37 115.11 126.19 1ydg h GLN 94 Ca 0.43 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.52 1ydg h GLN 94 Cb 0.86 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1ydg h GLN 94 CO -0.18 0.07 -0.02 1.98 -1.50 0.00 0.00 178.83 179.19 1ydg h MET 95 N 0.11 0.57 -0.49 1.46 4.05 -1.62 -2.55 114.93 116.46 1ydg h MET 95 Ca 0.16 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1ydg h MET 95 Cb 0.21 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1ydg h MET 95 CO -0.26 0.71 0.24 0.00 0.23 0.00 0.00 176.91 177.84 1ydg h ARG 96 N 0.36 0.68 -0.53 0.39 2.47 -0.63 -1.20 114.38 115.93 1ydg h ARG 96 Ca 0.09 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1ydg h ARG 96 Cb 0.47 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1ydg h ARG 96 CO 0.02 0.53 0.01 0.00 0.56 0.00 0.00 179.97 181.09 1ydg h ALA 97 N 1.58 1.02 0.31 0.04 0.00 -0.07 -0.36 119.26 121.78 1ydg h ALA 97 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ydg h ALA 97 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ydg h ALA 97 CO -0.02 0.61 -0.15 0.35 0.00 0.00 0.00 179.25 180.03 1ydg h PHE 98 N 0.82 -0.38 -0.91 0.00 3.57 -0.95 -3.07 116.94 116.01 1ydg h PHE 98 Ca 0.16 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.83 1ydg h PHE 98 Cb 0.48 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.24 1ydg h PHE 98 CO 0.03 -0.22 0.48 0.82 -2.23 0.00 0.00 178.31 177.19 1ydg h ILE 99 N -0.44 0.64 0.00 1.41 2.04 -0.94 -0.17 117.51 120.04 1ydg h ILE 99 Ca -0.04 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1ydg h ILE 99 Cb 0.34 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1ydg h ILE 99 CO 0.07 0.11 -0.07 0.44 0.00 0.00 0.00 178.15 178.70 1ydg h ASP 100 N 0.60 0.00 0.31 1.72 5.19 -0.98 -2.16 116.42 121.10 1ydg h ASP 100 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1ydg h ASP 100 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1ydg h ASP 100 CO -0.42 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 176.12 1ydg n THR 101 N -3.39 0.20 -0.44 0.35 -2.24 -0.08 -3.75 114.28 104.93 1ydg n THR 101 Ca -0.01 0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1ydg n THR 101 Cb 0.23 -0.67 0.34 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.21 4.47 -0.18 3.22 4.77 -0.81 -4.29 117.00 122.97 1ydg n LEU 102 Ca 0.13 -2.26 -0.06 0.00 -0.03 0.00 0.00 56.01 53.80 1ydg n LEU 102 Cb 0.16 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 40.79 1ydg n LEU 102 CO 0.16 0.76 0.92 1.23 -1.33 0.00 0.00 177.39 179.13 1ydg h GLY 103 N 4.32 1.05 0.11 -0.72 0.00 -1.77 -1.55 103.07 104.52 1ydg h GLY 103 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1ydg h GLY 103 CO 0.22 0.62 -0.52 -1.33 0.00 0.00 0.00 176.54 175.53 1ydg h GLY 104 N 1.02 -1.17 0.62 4.60 0.00 -1.90 0.78 103.07 107.03 1ydg h GLY 104 Ca 0.19 0.65 0.06 0.00 0.00 0.00 0.00 47.33 48.23 1ydg h GLY 104 CO 0.01 -0.27 0.27 1.41 0.00 0.00 0.00 176.54 177.96 1ydg h LEU 105 N -0.74 0.36 -0.17 3.11 4.07 -1.85 -2.79 115.31 117.30 1ydg h LEU 105 Ca -0.01 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1ydg h LEU 105 Cb 0.74 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1ydg h LEU 105 CO -0.29 0.24 0.05 -0.25 -1.08 0.00 0.00 178.44 177.11 1ydg h TRP 106 N 0.51 0.09 -0.92 1.13 7.01 -1.06 -1.50 115.95 121.21 1ydg h TRP 106 Ca 0.26 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.42 1ydg h TRP 106 Cb 0.21 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.18 1ydg h TRP 106 CO -0.12 0.05 0.59 0.77 -2.79 0.00 0.00 178.44 176.94 1ydg h SER 107 N 0.13 0.68 -0.04 2.65 0.02 -0.63 -1.66 113.55 114.70 1ydg h SER 107 Ca 0.07 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ydg h SER 107 Cb 0.05 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1ydg h SER 107 CO -0.08 0.33 0.00 -1.20 -1.14 0.00 0.00 176.83 174.74 1ydg n SER 108 N -4.58 0.59 -0.07 3.07 7.64 -0.95 -4.89 113.62 114.43 1ydg n SER 108 Ca 0.18 -1.40 -0.01 0.00 1.01 0.00 0.00 58.87 58.65 1ydg n SER 108 Cb 0.48 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.97 0.32 0.67 0.23 0.00 -0.63 -4.89 105.19 101.86 1ydg n GLY 109 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.04 1.88 0.00 1.61 3.00 -0.61 -2.81 118.16 120.19 1ydg n LYS 110 Ca -0.01 -1.19 0.04 0.00 -0.00 0.00 0.00 58.31 57.16 1ydg n LYS 110 Cb 0.27 -1.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 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 0.42 0.69 -4.76 3.14 4.77 -1.26 -4.72 117.00 115.28 1ydg n LEU 111 Ca 0.11 -0.60 -0.38 0.00 -0.03 0.00 0.00 56.01 55.11 1ydg n LEU 111 Cb 0.33 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1ydg n LEU 111 CO 0.08 0.15 0.89 0.00 -1.33 0.00 0.00 177.39 177.18 1ydg s ALA 112 N -1.63 2.92 0.00 -1.18 0.00 -1.12 -3.70 121.76 117.05 1ydg s ALA 112 Ca 0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ydg s ALA 112 Cb 0.07 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ydg s ALA 112 CO 0.31 -0.92 0.00 0.09 0.00 0.00 0.00 175.76 175.24 1ydg n ASN 113 N -0.69 -0.32 -4.81 0.00 3.02 -0.21 -4.95 115.26 107.29 1ydg n ASN 113 Ca 0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.30 1ydg n ASN 113 Cb 0.47 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.19 4.25 0.46 3.52 1.02 -1.24 -4.68 119.74 122.88 1ydg s LYS 114 Ca 0.00 1.19 -0.14 0.00 0.02 0.00 0.00 55.97 57.03 1ydg s LYS 114 Cb 0.00 -2.29 -0.08 0.00 -0.52 0.00 0.00 37.83 34.95 1ydg s LYS 114 CO 0.00 -0.01 0.89 0.95 -0.92 0.00 0.00 175.35 176.25 1ydg s THR 115 N -2.05 4.63 -0.08 2.17 -4.23 -0.23 -1.52 115.64 114.33 1ydg s THR 115 Ca 0.60 0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 62.06 1ydg s THR 115 Cb -0.12 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.05 1ydg s THR 115 CO 0.16 -0.58 0.18 0.12 -0.54 0.00 0.00 174.62 173.96 1ydg s PHE 116 N -2.47 -0.23 0.19 3.99 5.36 -0.14 -0.56 117.98 124.13 1ydg s PHE 116 Ca 0.56 0.60 -0.00 0.00 -0.96 0.00 0.00 56.93 57.12 1ydg s PHE 116 Cb -0.10 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 1ydg s PHE 116 CO 0.30 -0.19 0.10 -1.54 -1.46 0.00 0.00 175.22 172.42 1ydg s SER 117 N 1.22 0.43 0.06 6.13 1.04 -0.74 -1.22 113.70 120.62 1ydg s SER 117 Ca -0.09 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.01 1ydg s SER 117 Cb -0.11 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1ydg s SER 117 CO -0.07 -0.78 -0.05 0.00 0.98 0.00 0.00 173.24 173.32 1ydg s ALA 118 N -4.04 0.61 0.08 5.32 0.00 -1.26 -2.24 121.76 120.23 1ydg s ALA 118 Ca 0.35 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1ydg s ALA 118 Cb 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1ydg s ALA 118 CO 0.10 -0.23 -0.06 -1.64 0.00 0.00 0.00 175.76 173.93 1ydg s MET 119 N -3.07 0.77 0.06 0.00 -1.94 -0.31 -3.79 119.30 111.02 1ydg s MET 119 Ca 0.02 -1.30 -0.06 0.00 -1.71 0.00 0.00 55.69 52.64 1ydg s MET 119 Cb 0.01 -0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.75 1ydg s MET 119 CO -0.05 -0.04 0.12 -0.08 -0.01 0.00 0.00 175.02 174.96 1ydg s THR 120 N -3.69 0.15 0.13 2.05 -1.32 -0.32 -2.61 115.64 110.03 1ydg s THR 120 Ca 0.10 -1.25 0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1ydg s THR 120 Cb 0.06 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1ydg s THR 120 CO -0.06 -0.69 -0.22 -0.94 -2.21 0.00 0.00 174.62 170.50 1ydg s SER 121 N -2.57 2.78 -0.29 8.08 1.04 -1.10 -2.08 113.70 119.55 1ydg s SER 121 Ca 0.01 -0.74 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 1ydg s SER 121 Cb 0.03 -0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.17 1ydg s SER 121 CO -0.08 0.07 1.22 0.00 0.98 0.00 0.00 173.24 175.42 1ydg s ALA 122 N -1.34 -2.41 -0.21 5.32 0.00 -0.79 -0.52 121.76 121.82 1ydg s ALA 122 Ca 0.11 1.95 0.29 0.00 0.00 0.00 0.00 51.96 54.30 1ydg s ALA 122 Cb -0.09 -1.82 1.09 0.00 0.00 0.00 0.00 23.12 22.30 1ydg s ALA 122 CO 0.05 -0.26 1.84 1.96 0.00 0.00 0.00 175.76 179.35 1ydg h GLN 123 N 4.77 0.00 -6.62 0.00 4.20 -1.87 0.56 115.11 116.14 1ydg h GLN 123 Ca -0.27 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.78 1ydg h GLN 123 Cb 1.18 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.79 1ydg h GLN 123 CO 0.20 0.00 -0.77 -0.80 -0.67 0.00 0.00 178.83 176.79 1ydg s ASN 124 N -5.19 4.05 -0.08 1.46 0.01 -1.26 -4.70 114.94 109.24 1ydg s ASN 124 Ca 0.03 -0.54 -0.26 0.00 -0.71 0.00 0.00 52.86 51.38 1ydg s ASN 124 Cb 0.09 -0.63 -0.24 0.00 0.41 0.00 0.00 41.25 40.88 1ydg s ASN 124 CO 0.51 0.16 0.98 0.58 -1.51 0.00 0.00 177.10 177.82 1ydg h VAL 125 N 3.29 1.60 -0.64 1.60 2.07 -1.98 -3.31 116.25 118.88 1ydg h VAL 125 Ca -0.49 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 1ydg h VAL 125 Cb 1.18 2.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.78 1ydg h VAL 125 CO 0.49 0.52 0.10 0.59 0.02 0.00 0.00 177.57 179.29 1ydg n ASN 126 N -4.60 5.39 -2.62 0.57 3.02 -1.26 -4.74 115.26 111.02 1ydg n ASN 126 Ca -0.10 -3.05 -0.36 0.00 -0.03 0.00 0.00 54.58 51.04 1ydg n ASN 126 Cb 0.46 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1ydg n ASN 126 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ydg n GLY 127 N 0.31 5.75 0.00 7.41 0.00 -1.25 -4.79 105.19 112.62 1ydg n GLY 127 Ca 0.33 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.66 0.80 0.41 -0.02 0.00 -1.26 -4.55 105.19 99.90 1ydg n GLY 128 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 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 4.31 -0.82 -0.71 1.61 4.20 -1.87 -0.49 115.11 121.35 1ydg h GLN 129 Ca 0.00 0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.86 1ydg h GLN 129 Cb 0.00 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 1ydg h GLN 129 CO 0.00 -0.54 0.35 0.93 -0.67 0.00 0.00 178.83 178.89 1ydg h GLU 130 N -0.85 0.56 -0.13 1.46 5.08 -1.94 -1.31 114.58 117.46 1ydg h GLU 130 Ca -0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1ydg h GLU 130 Cb 0.73 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ydg h GLU 130 CO -0.01 0.37 -0.34 1.79 -1.00 0.00 0.00 179.01 179.82 1ydg h THR 131 N 0.58 1.28 -0.29 1.13 1.35 -1.80 -0.68 112.91 114.49 1ydg h THR 131 Ca 0.35 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 1ydg h THR 131 Cb 0.39 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1ydg h THR 131 CO -0.28 0.41 0.13 0.74 -0.25 0.00 0.00 175.52 176.27 1ydg h THR 132 N 0.22 1.16 0.01 6.82 2.02 0.01 -0.84 112.91 122.32 1ydg h THR 132 Ca 0.03 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ydg h THR 132 Cb 0.72 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1ydg h THR 132 CO 0.05 0.17 -0.00 -0.07 0.37 0.00 0.00 175.52 176.04 1ydg h LEU 133 N 0.33 -0.01 -0.65 2.58 3.38 -1.19 -2.67 115.31 117.09 1ydg h LEU 133 Ca 0.10 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1ydg h LEU 133 Cb 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 1ydg h LEU 133 CO -0.01 0.03 -0.03 -0.61 0.09 0.00 0.00 178.44 177.91 1ydg h GLN 134 N -0.05 0.09 -0.46 1.13 4.15 -0.86 -0.51 115.11 118.59 1ydg h GLN 134 Ca -0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1ydg h GLN 134 Cb 0.05 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1ydg h GLN 134 CO 0.00 0.06 0.15 1.79 -1.93 0.00 0.00 178.83 178.90 1ydg h THR 135 N 0.09 1.19 -0.37 2.39 1.35 -1.00 -1.20 112.91 115.35 1ydg h THR 135 Ca 0.34 -0.62 -0.13 0.00 -0.55 0.00 0.00 66.41 65.45 1ydg h THR 135 Cb 0.55 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 1ydg h THR 135 CO -0.58 0.23 -0.28 -0.07 -0.25 0.00 0.00 175.52 174.57 1ydg h LEU 136 N 0.66 0.89 -0.85 3.87 3.38 -0.79 -2.66 115.31 119.80 1ydg h LEU 136 Ca 0.16 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1ydg h LEU 136 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ydg h LEU 136 CO -0.01 1.14 0.07 1.88 0.09 0.00 0.00 178.44 181.61 1ydg h TYR 137 N 0.64 0.98 -0.33 1.13 0.05 -0.96 -2.36 116.97 116.11 1ydg h TYR 137 Ca 0.07 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1ydg h TYR 137 Cb 0.86 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.30 1ydg h TYR 137 CO 0.06 0.85 0.16 0.52 -1.05 0.00 0.00 178.16 178.70 1ydg h MET 138 N 0.87 0.33 -0.60 4.88 2.86 -1.10 -1.54 114.93 120.62 1ydg h MET 138 Ca 0.17 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 1ydg h MET 138 Cb 0.42 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 1ydg h MET 138 CO 0.01 0.22 0.25 1.15 1.06 0.00 0.00 176.91 179.60 1ydg h THR 139 N 0.34 0.81 -0.14 2.22 2.02 -1.35 -2.04 112.91 114.76 1ydg h THR 139 Ca 0.14 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1ydg h THR 139 Cb 0.05 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1ydg h THR 139 CO -0.10 0.08 -0.10 0.00 0.37 0.00 0.00 175.52 175.78 1ydg h ALA 140 N 1.40 1.58 -0.33 6.16 0.00 -0.83 -2.26 119.26 124.97 1ydg h ALA 140 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ydg h ALA 140 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ydg h ALA 140 CO -0.28 0.31 0.07 0.52 0.00 0.00 0.00 179.25 179.86 1ydg h MET 141 N 0.20 0.48 0.00 0.00 2.86 -0.55 -1.56 114.93 116.36 1ydg h MET 141 Ca 0.04 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1ydg h MET 141 Cb 0.31 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ydg h MET 141 CO 0.02 0.46 -0.11 0.45 1.06 0.00 0.00 176.91 178.78 1ydg h HIS 142 N 0.47 0.00 -0.00 -0.22 3.86 -1.33 -1.62 115.15 116.31 1ydg h HIS 142 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ydg h HIS 142 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1ydg h HIS 142 CO 0.01 0.11 -0.15 0.91 0.86 0.00 0.00 177.93 179.67 1ydg n TRP 143 N -3.70 0.00 -3.52 2.45 8.01 -0.61 -4.93 117.44 115.14 1ydg n TRP 143 Ca -0.02 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.95 1ydg n TRP 143 Cb 0.22 -0.29 0.08 0.00 -2.01 0.00 0.00 31.31 29.31 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 1.39 -0.44 3.87 6.99 0.00 -0.61 -3.20 105.19 113.18 1ydg n GLY 144 Ca 0.11 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.30 2.99 -0.34 4.61 0.00 -1.06 -1.05 121.76 123.62 1ydg s ALA 145 Ca 0.52 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1ydg s ALA 145 Cb -0.23 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1ydg s ALA 145 CO 0.68 -0.88 0.25 0.08 0.00 0.00 0.00 175.76 175.89 1ydg s VAL 146 N -3.22 5.28 -0.19 0.00 1.01 -0.57 -4.81 120.40 117.90 1ydg s VAL 146 Ca 0.56 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1ydg s VAL 146 Cb -0.11 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1ydg s VAL 146 CO 0.53 -0.00 0.44 -0.76 0.00 0.00 0.00 175.10 175.31 1ydg s LEU 147 N 1.75 4.18 -0.58 3.92 1.43 -1.26 -0.97 118.68 127.15 1ydg s LEU 147 Ca 0.07 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1ydg s LEU 147 Cb -0.17 -2.59 0.30 0.00 0.03 0.00 0.00 46.19 43.76 1ydg s LEU 147 CO 0.11 -0.08 0.82 0.35 0.23 0.00 0.00 176.35 177.78 1ydg n THR 148 N 4.24 2.30 -1.25 5.49 -2.24 -0.36 -4.92 114.28 117.54 1ydg n THR 148 Ca -0.07 -5.26 -0.31 0.00 -2.27 0.00 0.00 64.05 56.13 1ydg n THR 148 Cb 0.51 -1.64 0.10 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.84 2.16 0.32 -0.78 0.04 -1.26 -4.68 135.00 127.97 1ydg s PRO 149 Ca 0.44 1.25 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1ydg s PRO 149 Cb 0.22 -1.88 0.56 0.00 0.04 0.00 0.00 34.50 33.44 1ydg s PRO 149 CO -0.08 -1.73 1.75 -1.00 0.04 0.00 0.00 177.00 175.99 1ydg h PRO 150 N -1.07 0.15 0.00 0.56 0.13 -1.78 -3.49 132.00 126.51 1ydg h PRO 150 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ydg h PRO 150 Cb 1.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ydg h PRO 150 CO 0.50 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 1ydg n GLY 151 N -0.31 1.14 2.04 1.56 0.00 0.42 -2.64 105.19 107.40 1ydg n GLY 151 Ca -0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 1.09 2.73 1.11 1.61 4.02 -1.26 -4.32 117.16 122.14 1ydg n TYR 152 Ca 0.00 -2.36 0.02 0.00 -0.01 0.00 0.00 57.90 55.55 1ydg n TYR 152 Cb 0.00 -0.98 0.14 0.00 -0.02 0.00 0.00 39.34 38.48 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 -0.98 0.00 -3.71 -0.72 -2.24 -1.08 -4.54 114.28 101.01 1ydg n THR 153 Ca 0.54 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.18 1ydg n THR 153 Cb 1.02 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.59 -0.26 0.58 3.42 2.15 -1.26 -5.04 116.67 114.67 1ydg s ASP 154 Ca 0.07 0.12 0.29 0.00 0.43 0.00 0.00 52.55 53.47 1ydg s ASP 154 Cb 0.03 0.37 1.77 0.00 -0.30 0.00 0.00 42.92 44.79 1ydg s ASP 154 CO 0.05 -0.53 2.23 -0.08 -0.17 0.00 0.00 175.17 176.68 1ydg h GLU 155 N 3.51 0.00 -0.30 4.34 4.81 -2.01 -2.65 114.58 122.29 1ydg h GLU 155 Ca -0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1ydg h GLU 155 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1ydg h GLU 155 CO 0.41 0.02 0.10 -0.24 -0.73 0.00 0.00 179.01 178.57 1ydg h VAL 156 N 0.00 1.13 -0.13 0.32 3.04 -1.96 -2.73 116.25 115.92 1ydg h VAL 156 Ca -0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1ydg h VAL 156 Cb 0.05 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 1ydg h VAL 156 CO 0.00 0.16 0.08 0.40 -1.01 0.00 0.00 177.57 177.21 1ydg h ILE 157 N 0.43 1.04 -0.79 3.17 1.08 -1.83 -2.39 117.51 118.22 1ydg h ILE 157 Ca 0.10 -0.08 0.18 0.00 -0.39 0.00 0.00 64.86 64.68 1ydg h ILE 157 Cb 0.13 0.87 -0.12 0.00 -3.07 0.00 0.00 36.82 34.63 1ydg h ILE 157 CO -0.01 0.04 0.23 -0.26 -0.69 0.00 0.00 178.15 177.46 1ydg h PHE 158 N 0.16 0.36 -0.44 1.37 0.04 -1.64 0.00 116.94 116.80 1ydg h PHE 158 Ca 0.05 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.77 1ydg h PHE 158 Cb -0.01 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1ydg h PHE 158 CO -0.07 -0.09 -0.07 0.87 -0.60 0.00 0.00 178.31 178.35 1ydg h LYS 159 N 0.29 0.82 0.00 1.51 1.57 -1.37 -3.18 116.57 116.21 1ydg h LYS 159 Ca 0.46 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ydg h LYS 159 Cb 0.83 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ydg h LYS 159 CO -0.54 0.92 0.00 -1.13 -0.57 0.00 0.00 179.45 178.13 1ydg n SER 160 N -4.32 0.00 0.00 0.86 3.41 -1.02 -4.68 113.62 107.86 1ydg n SER 160 Ca -0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1ydg n SER 160 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.30 1.75 2.48 5.00 0.00 -1.22 -4.83 105.19 108.67 1ydg n GLY 161 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 -0.49 3.23 -0.02 0.00 -0.04 -4.98 105.19 102.54 1ydg n GLY 162 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.00 5.73 0.49 1.61 3.84 -1.26 -4.95 114.94 117.40 1ydg s ASN 163 Ca 0.17 -1.83 0.30 0.00 0.21 0.00 0.00 52.86 51.71 1ydg s ASN 163 Cb -0.02 -2.02 1.05 0.00 -0.55 0.00 0.00 41.25 39.71 1ydg s ASN 163 CO 0.43 -0.68 1.86 1.55 -2.79 0.00 0.00 177.10 177.47 1ydg h PRO 164 N 8.48 0.00 -0.01 0.43 0.13 -1.95 -3.17 132.00 135.90 1ydg h PRO 164 Ca -0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 1ydg h PRO 164 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1ydg h PRO 164 CO 0.86 0.00 -0.75 1.88 -0.23 0.00 0.00 178.00 179.76 1ydg h TYR 165 N 0.00 0.08 0.00 1.56 0.99 -1.93 0.12 116.97 117.79 1ydg h TYR 165 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1ydg h TYR 165 Cb 0.64 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.36 1ydg h TYR 165 CO 0.00 0.78 0.00 0.41 -0.00 0.00 0.00 178.16 179.35 1ydg n GLY 166 N 0.60 2.17 3.73 3.88 0.00 -1.20 -4.51 105.19 109.86 1ydg n GLY 166 Ca -0.01 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1ydg n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 167 N -2.00 3.71 -0.07 4.61 0.00 -1.25 -4.74 121.76 122.02 1ydg s ALA 167 Ca 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 1ydg s ALA 167 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1ydg s ALA 167 CO 0.00 -0.79 0.04 -1.54 0.00 0.00 0.00 175.76 173.48 1ydg s SER 168 N 0.75 1.52 -0.11 0.00 1.04 -1.26 -1.17 113.70 114.48 1ydg s SER 168 Ca 0.65 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.95 1ydg s SER 168 Cb -0.43 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 1ydg s SER 168 CO 0.38 -0.25 -0.01 -0.69 0.98 0.00 0.00 173.24 173.66 1ydg s VAL 169 N 2.09 4.23 -0.37 5.02 1.01 -0.88 -5.00 120.40 126.50 1ydg s VAL 169 Ca 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1ydg s VAL 169 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1ydg s VAL 169 CO -0.05 0.57 1.09 -0.89 0.00 0.00 0.00 175.10 175.82 1ydg s THR 170 N -0.53 4.43 -0.43 3.92 2.01 -1.26 -1.89 115.64 121.89 1ydg s THR 170 Ca 0.09 1.57 -0.28 0.00 0.31 0.00 0.00 61.69 63.37 1ydg s THR 170 Cb -0.12 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.93 1ydg s THR 170 CO 0.02 -0.63 1.50 0.00 -0.69 0.00 0.00 174.62 174.82 1ydg s ALA 171 N 3.87 2.93 -0.01 7.40 0.00 0.19 -4.82 121.76 131.33 1ydg s ALA 171 Ca 0.46 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1ydg s ALA 171 Cb -0.11 -4.00 0.03 0.00 0.00 0.00 0.00 23.12 19.04 1ydg s ALA 171 CO 0.20 -2.60 0.89 0.27 0.00 0.00 0.00 175.76 174.52 1ydg n ASN 172 N 9.39 0.31 0.00 0.00 6.94 -1.26 -3.90 115.26 126.74 1ydg n ASN 172 Ca 0.17 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.88 1ydg n ASN 172 Cb 0.48 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 -0.16 1.31 3.76 4.83 0.00 -1.26 -4.99 105.19 108.68 1ydg n GLY 173 Ca 0.02 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1ydg n GLY 173 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ydg s GLN 174 N 0.00 3.69 1.25 1.61 2.00 -1.26 -5.02 119.66 121.92 1ydg s GLN 174 Ca 0.00 2.27 -0.16 0.00 -2.00 0.00 0.00 55.36 55.47 1ydg s GLN 174 Cb 0.00 -2.61 0.31 0.00 0.80 0.00 0.00 33.01 31.52 1ydg s GLN 174 CO 0.00 -0.76 1.00 -1.25 -0.50 0.00 0.00 175.29 173.77 1ydg s PRO 175 N -2.48 -1.58 0.07 1.67 0.04 -1.26 -4.93 135.00 126.54 1ydg s PRO 175 Ca 0.62 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 1ydg s PRO 175 Cb -0.40 -1.50 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1ydg s PRO 175 CO 0.51 -4.10 1.25 -0.51 0.04 0.00 0.00 177.00 174.20 1ydg s LEU 176 N -7.42 4.37 0.68 -3.56 1.02 -1.26 -5.01 118.68 107.50 1ydg s LEU 176 Ca 0.69 2.09 -0.14 0.00 0.02 0.00 0.00 54.13 56.78 1ydg s LEU 176 Cb -0.22 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.42 1ydg s LEU 176 CO 0.63 -0.53 1.11 -0.76 0.02 0.00 0.00 176.35 176.82 1ydg s LEU 177 N 1.15 3.33 0.24 1.79 1.43 -1.26 -4.87 118.68 120.49 1ydg s LEU 177 Ca 0.60 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.63 1ydg s LEU 177 Cb -0.31 -4.55 0.24 0.00 0.03 0.00 0.00 46.19 41.60 1ydg s LEU 177 CO 0.29 -1.73 1.87 -0.08 0.23 0.00 0.00 176.35 176.92 1ydg h GLU 178 N -0.18 1.23 -0.98 1.70 4.57 -1.99 -2.03 114.58 116.90 1ydg h GLU 178 Ca -0.46 -0.14 0.11 0.00 -1.18 0.00 0.00 59.36 57.69 1ydg h GLU 178 Cb 1.25 -0.24 -0.08 0.00 -0.16 0.00 0.00 28.75 29.51 1ydg h GLU 178 CO 0.53 0.90 0.62 -0.97 -1.18 0.00 0.00 179.01 178.91 1ydg h ASN 179 N 1.24 0.90 0.06 1.04 -0.00 -1.97 -1.71 115.58 115.15 1ydg h ASN 179 Ca 0.31 0.04 -0.28 0.00 -0.00 0.00 0.00 56.30 56.37 1ydg h ASN 179 Cb 0.02 -0.15 0.02 0.00 -0.00 0.00 0.00 38.32 38.21 1ydg h ASN 179 CO -0.05 0.50 -1.13 0.44 -0.00 0.00 0.00 177.43 177.19 1ydg h ASP 180 N 0.98 0.90 -0.98 1.15 3.32 -1.81 -2.95 116.42 117.04 1ydg h ASP 180 Ca 0.47 -0.76 0.03 0.00 0.02 0.00 0.00 57.03 56.79 1ydg h ASP 180 Cb 0.45 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1ydg h ASP 180 CO -0.23 1.56 0.64 0.03 -1.72 0.00 0.00 179.24 179.52 1ydg h ARG 181 N 0.35 1.21 -0.10 3.56 3.08 -1.02 -2.03 114.38 119.42 1ydg h ARG 181 Ca -0.15 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.61 1ydg h ARG 181 Cb 1.79 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1ydg h ARG 181 CO 0.22 0.80 -0.79 0.00 -1.07 0.00 0.00 179.97 179.13 1ydg h ALA 182 N 1.43 0.42 -0.65 0.04 0.00 -1.36 -0.71 119.26 118.43 1ydg h ALA 182 Ca 0.38 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1ydg h ALA 182 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ydg h ALA 182 CO -0.11 0.73 0.21 0.66 0.00 0.00 0.00 179.25 180.74 1ydg h SER 183 N 0.40 0.90 -0.31 0.00 4.64 -1.34 -0.43 113.55 117.41 1ydg h SER 183 Ca -0.05 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1ydg h SER 183 Cb 1.40 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1ydg h SER 183 CO 0.15 0.84 -0.02 0.40 -0.87 0.00 0.00 176.83 177.33 1ydg h ILE 184 N 0.94 1.26 -0.26 0.95 2.04 -1.22 -1.92 117.51 119.30 1ydg h ILE 184 Ca 0.21 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1ydg h ILE 184 Cb 0.25 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1ydg h ILE 184 CO -0.01 0.32 0.12 0.03 0.00 0.00 0.00 178.15 178.60 1ydg h ARG 185 N 0.34 0.24 -0.20 2.37 3.08 -0.83 -2.37 114.38 117.02 1ydg h ARG 185 Ca 0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1ydg h ARG 185 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1ydg h ARG 185 CO 0.02 0.16 0.07 1.25 -1.07 0.00 0.00 179.97 180.40 1ydg h HIS 186 N 0.25 0.13 -0.83 3.04 2.76 -1.05 -0.33 115.15 119.12 1ydg h HIS 186 Ca 0.11 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1ydg h HIS 186 Cb 0.05 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 1ydg h HIS 186 CO -0.11 0.06 0.51 0.37 -1.30 0.00 0.00 177.93 177.47 1ydg h GLN 187 N 0.16 0.91 0.00 5.26 4.15 -1.15 0.14 115.11 124.59 1ydg h GLN 187 Ca 0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1ydg h GLN 187 Cb 0.05 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1ydg h GLN 187 CO -0.09 0.60 -0.17 0.28 -1.93 0.00 0.00 178.83 177.52 1ydg h VAL 188 N 0.94 1.59 -0.41 2.39 2.07 -1.17 -2.44 116.25 119.20 1ydg h VAL 188 Ca 0.36 -1.96 0.07 0.00 0.82 0.00 0.00 66.70 66.00 1ydg h VAL 188 Cb 0.17 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.70 1ydg h VAL 188 CO -0.17 0.53 -0.41 -0.09 0.02 0.00 0.00 177.57 177.45 1ydg h ARG 189 N -0.61 -0.30 -0.66 1.57 2.43 -0.96 0.14 114.38 115.99 1ydg h ARG 189 Ca -0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1ydg h ARG 189 Cb 0.96 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 1ydg h ARG 189 CO 0.03 -0.20 0.32 -0.09 -1.51 0.00 0.00 179.97 178.53 1ydg h ARG 190 N -0.31 0.55 -0.36 0.20 2.43 -0.76 -1.65 114.38 114.49 1ydg h ARG 190 Ca 0.15 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 1ydg h ARG 190 Cb 0.58 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ydg h ARG 190 CO -0.57 0.37 -0.43 0.37 -1.51 0.00 0.00 179.97 178.19 1ydg h GLN 191 N 0.57 0.92 -0.22 0.20 4.15 -0.90 -1.21 115.11 118.62 1ydg h GLN 191 Ca 0.32 -0.51 0.02 0.00 0.77 0.00 0.00 58.65 59.25 1ydg h GLN 191 Cb 0.31 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1ydg h GLN 191 CO -0.25 1.16 0.08 0.28 -1.93 0.00 0.00 178.83 178.17 1ydg h VAL 192 N 0.74 0.96 0.17 2.39 2.07 -0.39 0.47 116.25 122.65 1ydg h VAL 192 Ca 0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1ydg h VAL 192 Cb 1.03 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1ydg h VAL 192 CO 0.10 0.03 -0.08 -0.33 0.02 0.00 0.00 177.57 177.32 1ydg h GLU 193 N 0.19 -0.22 -0.88 1.57 5.08 -1.22 0.78 114.58 119.88 1ydg h GLU 193 Ca 0.09 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1ydg h GLU 193 Cb 0.06 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 1ydg h GLU 193 CO -0.09 -0.12 0.52 -0.07 -1.00 0.00 0.00 179.01 178.25 1ydg h LEU 194 N -0.26 0.76 -0.33 1.33 3.38 -1.17 -2.22 115.31 116.81 1ydg h LEU 194 Ca -0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ydg h LEU 194 Cb 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ydg h LEU 194 CO 0.04 0.42 0.03 0.74 0.09 0.00 0.00 178.44 179.76 1ydg h THR 195 N 0.86 1.25 -0.58 0.22 2.02 -0.44 -1.24 112.91 115.01 1ydg h THR 195 Ca 0.43 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1ydg h THR 195 Cb 0.40 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1ydg h THR 195 CO -0.25 0.29 0.36 0.00 0.37 0.00 0.00 175.52 176.29 1ydg h ALA 196 N 0.87 0.74 0.09 6.16 0.00 -0.66 -0.85 119.26 125.61 1ydg h ALA 196 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ydg h ALA 196 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ydg h ALA 196 CO 0.01 0.10 -0.22 0.87 0.00 0.00 0.00 179.25 180.01 1ydg h LYS 197 N 0.71 -0.38 -0.69 0.00 1.57 -1.33 0.87 116.57 117.32 1ydg h LYS 197 Ca 0.23 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1ydg h LYS 197 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 1ydg h LYS 197 CO -0.09 -0.25 0.27 1.25 -0.57 0.00 0.00 179.45 180.05 1ydg h LEU 198 N -0.40 0.26 -0.03 2.94 6.46 -0.94 0.14 115.31 123.74 1ydg h LEU 198 Ca 0.03 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ydg h LEU 198 Cb 0.43 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1ydg h LEU 198 CO -0.13 0.13 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.74 1ydg h LEU 199 N 0.44 0.05 -0.49 2.25 3.38 -0.74 -2.45 115.31 117.75 1ydg h LEU 199 Ca 0.36 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1ydg h LEU 199 Cb 0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ydg h LEU 199 CO -0.35 0.42 -0.57 1.05 0.09 0.00 0.00 178.44 179.08 1ydg h GLU 200 N -0.31 0.56 -0.37 1.13 4.11 -0.61 0.13 114.58 119.22 1ydg h GLU 200 Ca 0.01 -0.37 0.11 0.00 0.07 0.00 0.00 59.36 59.18 1ydg h GLU 200 Cb 0.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ydg h GLU 200 CO 0.00 0.98 0.30 0.78 0.07 0.00 0.00 179.01 181.14 1ydg h GLY 201 N 1.05 0.00 0.61 1.06 0.00 -0.79 -1.67 103.07 103.33 1ydg h GLY 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ydg h GLY 201 CO 0.11 0.00 -0.94 0.61 0.00 0.00 0.00 176.54 176.32 1ydg n GLY 202 N -1.55 -1.20 0.00 4.60 0.00 -0.65 -5.08 105.19 101.31 1ydg n GLY 202 Ca 0.06 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1ydg n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76