#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg n ALA 3 N 0.00 0.87 -1.42 2.41 0.00 -1.26 -4.90 120.51 116.22 1ydg n ALA 3 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1ydg n ALA 3 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 16.95 1ydg n ALA 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ydg n PRO 4 N 7.07 0.43 -1.79 0.00 -0.02 -1.26 -4.90 135.00 134.53 1ydg n PRO 4 Ca 0.28 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1ydg n PRO 4 Cb 0.27 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 1ydg n PRO 4 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ydg s VAL 5 N -1.65 2.10 -0.49 -1.45 1.01 -1.26 -4.64 120.40 114.02 1ydg s VAL 5 Ca 0.64 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 1ydg s VAL 5 Cb -0.53 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1ydg s VAL 5 CO 0.58 0.01 0.68 -0.54 0.00 0.00 0.00 175.10 175.84 1ydg s LYS 6 N -0.48 3.20 -0.22 2.72 1.02 -1.26 -0.33 119.74 124.38 1ydg s LYS 6 Ca 0.63 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.96 1ydg s LYS 6 Cb -0.47 -4.04 -0.01 0.00 -0.52 0.00 0.00 37.83 32.78 1ydg s LYS 6 CO 0.48 -1.20 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.50 1ydg s LEU 7 N 2.91 2.94 -0.20 3.17 2.96 0.13 0.63 118.68 131.22 1ydg s LEU 7 Ca 0.20 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1ydg s LEU 7 Cb -0.16 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1ydg s LEU 7 CO 0.15 -0.03 0.07 0.00 -1.32 0.00 0.00 176.35 175.23 1ydg s ALA 8 N 1.48 3.35 -0.37 5.97 0.00 -0.03 -0.66 121.76 131.50 1ydg s ALA 8 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1ydg s ALA 8 Cb -0.14 -1.98 0.07 0.00 0.00 0.00 0.00 23.12 21.07 1ydg s ALA 8 CO -0.03 -0.01 0.16 0.42 0.00 0.00 0.00 175.76 176.30 1ydg s ILE 9 N 0.73 3.59 -0.26 0.00 1.01 -0.06 -0.75 121.20 125.46 1ydg s ILE 9 Ca 0.04 -1.54 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 1ydg s ILE 9 Cb -0.13 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1ydg s ILE 9 CO 0.02 -0.41 0.07 -0.69 0.00 0.00 0.00 174.94 173.93 1ydg s VAL 10 N 1.30 4.26 0.04 2.92 1.01 0.29 -1.00 120.40 129.22 1ydg s VAL 10 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1ydg s VAL 10 Cb -0.22 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1ydg s VAL 10 CO -0.00 0.31 -0.11 0.72 0.00 0.00 0.00 175.10 176.01 1ydg s PHE 11 N 1.60 0.99 -0.04 5.22 -0.12 -0.54 -1.23 117.98 123.86 1ydg s PHE 11 Ca 0.06 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 1ydg s PHE 11 Cb -0.15 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 1ydg s PHE 11 CO 0.03 0.00 -0.13 -0.47 -0.05 0.00 0.00 175.22 174.61 1ydg s TYR 12 N -0.99 2.74 -0.10 3.49 5.04 -0.13 -0.63 117.35 126.77 1ydg s TYR 12 Ca -0.02 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.42 1ydg s TYR 12 Cb -0.08 -1.62 0.04 0.00 0.35 0.00 0.00 41.96 40.65 1ydg s TYR 12 CO 0.01 0.24 0.25 0.45 -1.34 0.00 0.00 175.55 175.16 1ydg s SER 13 N -0.90 -0.27 -0.05 4.32 0.15 -1.26 -4.13 113.70 111.56 1ydg s SER 13 Ca 0.13 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.27 1ydg s SER 13 Cb -0.11 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1ydg s SER 13 CO 0.02 -0.14 -0.07 -1.20 1.20 0.00 0.00 173.24 173.05 1ydg n SER 14 N 3.82 0.70 -1.48 5.45 7.64 -1.26 -4.72 113.62 123.77 1ydg n SER 14 Ca -0.21 0.40 0.02 0.00 1.01 0.00 0.00 58.87 60.09 1ydg n SER 14 Cb 0.55 -0.64 0.29 0.00 -1.01 0.00 0.00 64.21 63.40 1ydg n SER 14 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ydg n THR 15 N -3.17 2.63 0.00 0.44 -2.24 -1.26 -4.39 114.28 106.30 1ydg n THR 15 Ca -0.03 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1ydg n THR 15 Cb 0.10 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.28 2.05 0.13 3.38 0.00 -1.26 -4.92 105.19 104.30 1ydg n GLY 16 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.10 -0.01 2.61 2.02 -1.96 -1.87 112.91 114.80 1ydg h THR 17 Ca 0.00 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1ydg h THR 17 Cb 0.00 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ydg h THR 17 CO 0.00 0.10 -0.51 1.23 0.37 0.00 0.00 175.52 176.71 1ydg h GLY 18 N 0.34 0.02 0.94 2.16 0.00 -1.92 -1.86 103.07 102.74 1ydg h GLY 18 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ydg h GLY 18 CO -0.02 0.01 0.09 -1.82 0.00 0.00 0.00 176.54 174.81 1ydg h TYR 19 N 0.01 0.23 -0.54 5.60 3.20 -1.78 0.25 116.97 123.93 1ydg h TYR 19 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ydg h TYR 19 Cb 0.90 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1ydg h TYR 19 CO 0.00 0.22 0.24 0.00 -1.64 0.00 0.00 178.16 176.98 1ydg h ALA 20 N 0.98 0.70 -0.14 1.82 0.00 -1.06 -1.27 119.26 120.29 1ydg h ALA 20 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ydg h ALA 20 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ydg h ALA 20 CO -0.01 0.28 0.03 0.52 0.00 0.00 0.00 179.25 180.07 1ydg h MET 21 N 0.73 0.09 -0.78 0.00 2.86 -1.30 -1.44 114.93 115.09 1ydg h MET 21 Ca 0.18 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1ydg h MET 21 Cb 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1ydg h MET 21 CO -0.02 0.06 0.38 0.00 1.06 0.00 0.00 176.91 178.39 1ydg h ALA 22 N 1.10 1.19 -0.51 6.32 0.00 -0.75 -1.01 119.26 125.60 1ydg h ALA 22 Ca 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ydg h ALA 22 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ydg h ALA 22 CO -0.08 0.62 0.02 1.96 0.00 0.00 0.00 179.25 181.77 1ydg h GLN 23 N 1.11 0.89 -0.85 0.00 4.20 -1.11 -0.73 115.11 118.61 1ydg h GLN 23 Ca 0.27 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1ydg h GLN 23 Cb 0.11 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1ydg h GLN 23 CO -0.04 0.91 0.54 1.49 -0.67 0.00 0.00 178.83 181.06 1ydg h GLU 24 N 0.75 0.99 -0.53 1.46 4.57 -0.91 -2.09 114.58 118.83 1ydg h GLU 24 Ca 0.15 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1ydg h GLU 24 Cb 0.50 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1ydg h GLU 24 CO 0.02 0.66 0.10 0.00 -1.18 0.00 0.00 179.01 178.61 1ydg h ALA 25 N 1.37 0.70 -0.56 2.92 0.00 -0.78 -1.82 119.26 121.10 1ydg h ALA 25 Ca 0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ydg h ALA 25 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ydg h ALA 25 CO -0.14 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.71 1ydg h ALA 26 N 0.99 0.73 -0.52 0.00 0.00 -0.88 -0.93 119.26 118.65 1ydg h ALA 26 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ydg h ALA 26 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ydg h ALA 26 CO 0.01 0.40 0.32 0.93 0.00 0.00 0.00 179.25 180.92 1ydg h GLU 27 N 0.78 0.63 -0.75 0.00 5.08 -1.27 0.35 114.58 119.40 1ydg h GLU 27 Ca 0.18 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1ydg h GLU 27 Cb 0.30 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1ydg h GLU 27 CO -0.00 0.42 0.36 0.00 -1.00 0.00 0.00 179.01 178.79 1ydg h ALA 28 N 1.22 1.22 -0.32 3.43 0.00 -1.14 0.09 119.26 123.75 1ydg h ALA 28 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ydg h ALA 28 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ydg h ALA 28 CO -0.07 0.60 0.05 0.78 0.00 0.00 0.00 179.25 180.60 1ydg h GLY 29 N 1.11 0.57 1.00 0.00 0.00 -0.66 -1.25 103.07 103.85 1ydg h GLY 29 Ca 0.26 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1ydg h GLY 29 CO -0.03 0.36 0.01 3.21 0.00 0.00 0.00 176.54 180.08 1ydg h ARG 30 N 0.36 0.84 -1.00 4.80 3.08 -0.78 -0.26 114.38 121.42 1ydg h ARG 30 Ca 0.10 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1ydg h ARG 30 Cb 0.36 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 1ydg h ARG 30 CO 0.01 0.88 0.65 0.00 -1.07 0.00 0.00 179.97 180.44 1ydg h ALA 31 N 0.93 1.40 0.00 0.04 0.00 -0.94 -0.40 119.26 120.29 1ydg h ALA 31 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ydg h ALA 31 Cb 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ydg h ALA 31 CO 0.02 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1ydg n ALA 32 N -2.37 2.12 -0.18 0.00 0.00 -0.48 -4.88 120.51 114.72 1ydg n ALA 32 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ydg n ALA 32 Cb 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.57 0.90 3.85 0.00 0.00 -0.16 -4.97 105.19 105.37 1ydg n GLY 33 Ca 0.10 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 3.34 -0.27 4.61 0.00 -0.15 -4.31 121.76 122.98 1ydg s ALA 34 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1ydg s ALA 34 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1ydg s ALA 34 CO 0.00 0.35 0.89 -2.00 0.00 0.00 0.00 175.76 174.99 1ydg s GLU 35 N -2.96 4.12 -0.11 0.00 2.12 0.54 -4.19 118.70 118.23 1ydg s GLU 35 Ca 0.54 0.94 0.01 0.00 0.36 0.00 0.00 54.97 56.82 1ydg s GLU 35 Cb -0.10 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1ydg s GLU 35 CO 0.18 -0.63 -0.14 0.08 -0.54 0.00 0.00 175.26 174.21 1ydg s VAL 36 N 3.04 3.00 -0.23 3.70 1.01 -1.26 -0.69 120.40 128.96 1ydg s VAL 36 Ca 0.37 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1ydg s VAL 36 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1ydg s VAL 36 CO 0.09 0.54 -0.04 -0.13 0.00 0.00 0.00 175.10 175.57 1ydg s ARG 37 N 0.05 3.22 -0.29 2.72 0.52 0.17 -4.99 118.95 120.35 1ydg s ARG 37 Ca -0.05 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 1ydg s ARG 37 Cb -0.15 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 1ydg s ARG 37 CO 0.04 -0.27 0.38 -1.17 0.02 0.00 0.00 175.30 174.31 1ydg s LEU 38 N 1.44 4.12 -0.03 2.53 2.96 -1.26 -0.88 118.68 127.56 1ydg s LEU 38 Ca 0.04 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1ydg s LEU 38 Cb -0.15 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1ydg s LEU 38 CO -0.03 -0.23 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.95 1ydg s LEU 39 N 2.09 1.57 0.08 -0.68 1.43 -0.17 -4.25 118.68 118.75 1ydg s LEU 39 Ca 0.15 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1ydg s LEU 39 Cb -0.16 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1ydg s LEU 39 CO 0.10 -0.00 0.31 -1.59 0.23 0.00 0.00 176.35 175.40 1ydg s LYS 40 N 0.53 3.57 0.02 1.70 -2.85 -0.36 -1.47 119.74 120.87 1ydg s LYS 40 Ca -0.07 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.45 1ydg s LYS 40 Cb -0.11 -2.96 -0.04 0.00 -2.06 0.00 0.00 37.83 32.66 1ydg s LYS 40 CO 0.00 0.56 0.91 0.08 0.10 0.00 0.00 175.35 177.00 1ydg s VAL 41 N -1.51 4.80 0.20 1.79 1.01 0.19 -0.88 120.40 126.00 1ydg s VAL 41 Ca 0.36 1.93 -0.32 0.00 0.00 0.00 0.00 61.98 63.94 1ydg s VAL 41 Cb -0.13 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 1ydg s VAL 41 CO 0.23 0.23 1.37 -2.11 0.00 0.00 0.00 175.10 174.82 1ydg n ARG 42 N 3.51 1.78 -2.33 2.72 0.00 -1.26 -4.88 116.66 116.20 1ydg n ARG 42 Ca 0.03 0.64 -0.38 0.00 -0.00 0.00 0.00 57.85 58.14 1ydg n ARG 42 Cb 0.51 -2.27 -0.02 0.00 -0.00 0.00 0.00 32.46 30.68 1ydg n ARG 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ydg s GLU 43 N -0.18 4.03 0.00 2.89 2.56 -1.26 -4.88 118.70 121.86 1ydg s GLU 43 Ca 0.72 1.77 0.00 0.00 0.00 0.00 0.00 54.97 57.46 1ydg s GLU 43 Cb -0.72 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 32.79 1ydg s GLU 43 CO 0.49 -0.32 0.00 2.41 -0.56 0.00 0.00 175.26 177.28 1ydg n THR 44 N -0.02 0.00 -1.99 -1.70 -1.04 -1.26 -5.11 114.28 103.16 1ydg n THR 44 Ca 0.05 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1ydg n THR 44 Cb 0.47 0.39 0.02 0.00 -1.82 0.00 0.00 70.33 69.39 1ydg n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ydg s ALA 45 N -0.84 2.96 0.51 2.41 0.00 -1.26 -4.97 121.76 120.57 1ydg s ALA 45 Ca 0.00 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.92 1ydg s ALA 45 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1ydg s ALA 45 CO 0.00 -1.03 1.31 -1.25 0.00 0.00 0.00 175.76 174.79 1ydg s PRO 46 N -2.71 3.37 0.16 0.00 0.04 -1.26 -4.87 135.00 129.73 1ydg s PRO 46 Ca 0.66 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.71 1ydg s PRO 46 Cb -0.36 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1ydg s PRO 46 CO 0.44 -0.97 1.55 0.37 0.04 0.00 0.00 177.00 178.43 1ydg h GLN 47 N 1.71 0.99 -0.25 4.56 5.75 -1.99 -2.20 115.11 123.68 1ydg h GLN 47 Ca -0.50 -0.42 0.03 0.00 -0.15 0.00 0.00 58.65 57.61 1ydg h GLN 47 Cb 1.28 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1ydg h GLN 47 CO 0.58 1.09 0.17 0.38 -2.65 0.00 0.00 178.83 178.40 1ydg h ASP 48 N 0.85 0.20 -0.27 -0.69 2.03 -2.00 -1.28 116.42 115.26 1ydg h ASP 48 Ca 0.11 -0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.34 1ydg h ASP 48 Cb 0.77 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.22 1ydg h ASP 48 CO 0.06 0.14 -0.11 0.58 -1.03 0.00 0.00 179.24 178.88 1ydg h VAL 49 N 0.23 1.29 -0.73 4.15 2.07 -1.80 -3.20 116.25 118.26 1ydg h VAL 49 Ca 0.10 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1ydg h VAL 49 Cb 0.13 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1ydg h VAL 49 CO -0.02 0.37 0.49 0.40 0.02 0.00 0.00 177.57 178.83 1ydg h ILE 50 N 0.29 1.14 0.01 4.57 2.04 -0.83 -3.16 117.51 121.57 1ydg h ILE 50 Ca 0.06 -0.32 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1ydg h ILE 50 Cb 0.62 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1ydg h ILE 50 CO 0.04 0.17 -0.87 0.44 0.00 0.00 0.00 178.15 177.93 1ydg h ASP 51 N 0.94 0.15 -0.00 1.72 3.32 -1.31 -2.91 116.42 118.33 1ydg h ASP 51 Ca 0.28 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ydg h ASP 51 Cb -0.02 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ydg h ASP 51 CO -0.07 0.94 0.08 1.23 -1.72 0.00 0.00 179.24 179.70 1ydg h GLY 52 N 2.13 0.00 -7.32 2.75 0.00 -1.55 -3.36 103.07 95.73 1ydg h GLY 52 Ca -0.03 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.63 1ydg h GLY 52 CO 0.12 0.00 -0.65 1.20 0.00 0.00 0.00 176.54 177.21 1ydg s GLN 53 N -4.15 3.07 0.33 4.80 -0.21 -1.10 -4.97 119.66 117.43 1ydg s GLN 53 Ca -0.05 -0.86 0.07 0.00 0.02 0.00 0.00 55.36 54.55 1ydg s GLN 53 Cb 0.12 -3.27 0.56 0.00 1.00 0.00 0.00 33.01 31.42 1ydg s GLN 53 CO 0.38 -0.41 1.77 -0.44 -2.12 0.00 0.00 175.29 174.47 1ydg h ASP 54 N 8.18 0.25 -0.82 5.90 3.32 -1.81 -3.08 116.42 128.35 1ydg h ASP 54 Ca -0.32 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.69 1ydg h ASP 54 Cb 1.13 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1ydg h ASP 54 CO 0.60 0.55 0.52 0.00 -1.72 0.00 0.00 179.24 179.19 1ydg h ALA 55 N 1.47 1.10 0.27 3.45 0.00 -1.93 -2.75 119.26 120.87 1ydg h ALA 55 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ydg h ALA 55 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ydg h ALA 55 CO 0.05 0.30 -0.13 2.35 0.00 0.00 0.00 179.25 181.82 1ydg h TRP 56 N 0.98 -0.34 -0.86 0.00 2.91 -1.74 -2.22 115.95 114.68 1ydg h TRP 56 Ca 0.34 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.41 1ydg h TRP 56 Cb 0.08 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.78 1ydg h TRP 56 CO -0.03 -0.09 0.53 0.87 -1.03 0.00 0.00 178.44 178.69 1ydg h LYS 57 N -0.54 0.96 -0.39 2.65 1.57 -1.55 -2.25 116.57 117.02 1ydg h LYS 57 Ca -0.04 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1ydg h LYS 57 Cb 0.40 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ydg h LYS 57 CO 0.06 0.63 -0.15 0.00 -0.57 0.00 0.00 179.45 179.42 1ydg h ALA 58 N 1.39 1.00 -0.37 3.86 0.00 -1.43 -2.24 119.26 121.48 1ydg h ALA 58 Ca 0.37 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ydg h ALA 58 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ydg h ALA 58 CO -0.16 0.59 -0.11 -0.97 0.00 0.00 0.00 179.25 178.60 1ydg h ASN 59 N 0.64 0.74 -0.70 0.00 -1.24 -0.93 0.12 115.58 114.21 1ydg h ASN 59 Ca 0.10 -0.38 0.04 0.00 0.71 0.00 0.00 56.30 56.78 1ydg h ASN 59 Cb 0.62 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 1ydg h ASN 59 CO 0.04 0.94 0.43 0.40 -1.29 0.00 0.00 177.43 177.95 1ydg h ILE 60 N 0.52 1.06 -0.08 2.57 2.04 -1.35 0.23 117.51 122.51 1ydg h ILE 60 Ca 0.09 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ydg h ILE 60 Cb 0.63 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1ydg h ILE 60 CO 0.04 0.15 -0.05 -0.08 0.00 0.00 0.00 178.15 178.21 1ydg h GLU 61 N 0.82 -0.05 -0.40 2.37 4.57 -1.18 -1.47 114.58 119.23 1ydg h GLU 61 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1ydg h GLU 61 Cb 0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1ydg h GLU 61 CO -0.13 -0.04 0.26 0.00 -1.18 0.00 0.00 179.01 177.92 1ydg h ALA 62 N 1.01 1.70 -0.00 2.92 0.00 0.35 -2.14 119.26 123.10 1ydg h ALA 62 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 62 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ydg h ALA 62 CO -0.11 0.28 -0.27 -1.33 0.00 0.00 0.00 179.25 177.81 1ydg n MET 63 N -4.47 0.19 -0.40 0.00 2.81 0.72 -4.50 117.12 111.47 1ydg n MET 63 Ca 0.03 -0.08 0.39 0.00 -1.81 0.00 0.00 57.70 56.23 1ydg n MET 63 Cb 0.06 -1.50 0.77 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.20 0.00 -0.06 0.03 2.10 -0.57 1.33 116.57 119.61 1ydg h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ydg h LYS 64 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1ydg h LYS 64 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1ydg n ASP 65 N -4.11 1.64 -4.68 7.07 8.00 -1.26 -4.87 116.55 118.33 1ydg n ASP 65 Ca 0.29 -1.58 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1ydg n ASP 65 Cb 1.41 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.45 1ydg n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ydg s VAL 66 N -1.94 4.91 0.73 2.53 1.01 0.46 -5.03 120.40 123.06 1ydg s VAL 66 Ca 0.36 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 1ydg s VAL 66 Cb 0.20 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ydg s VAL 66 CO 0.32 0.08 1.21 -2.84 0.00 0.00 0.00 175.10 173.87 1ydg s PRO 67 N 1.77 2.16 0.05 2.72 0.02 -1.26 -4.70 135.00 135.75 1ydg s PRO 67 Ca 0.40 1.76 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 1ydg s PRO 67 Cb -0.17 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1ydg s PRO 67 CO 0.15 -1.82 0.59 -2.00 -0.33 0.00 0.00 177.00 173.59 1ydg s GLU 68 N -3.90 4.27 0.14 5.54 2.12 -1.26 -1.23 118.70 124.38 1ydg s GLU 68 Ca 0.74 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.54 1ydg s GLU 68 Cb -0.29 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1ydg s GLU 68 CO 0.45 0.53 1.21 0.00 -0.54 0.00 0.00 175.26 176.91 1ydg s ALA 69 N -0.74 3.43 0.25 6.30 0.00 -0.06 -4.83 121.76 126.11 1ydg s ALA 69 Ca 0.30 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.27 1ydg s ALA 69 Cb -0.19 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1ydg s ALA 69 CO 0.19 -0.40 -0.13 0.95 0.00 0.00 0.00 175.76 176.37 1ydg s THR 70 N 0.37 1.91 0.31 0.00 -4.23 -1.26 -4.84 115.64 107.89 1ydg s THR 70 Ca 0.55 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1ydg s THR 70 Cb -0.32 -2.26 0.30 0.00 1.34 0.00 0.00 72.50 71.56 1ydg s THR 70 CO 0.34 -0.44 1.75 -0.65 -0.54 0.00 0.00 174.62 175.08 1ydg h PRO 71 N 2.37 0.64 -0.59 3.99 0.11 -1.93 -1.83 132.00 134.77 1ydg h PRO 71 Ca -0.39 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.80 1ydg h PRO 71 Cb 1.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1ydg h PRO 71 CO 0.64 0.42 0.40 0.00 -0.21 0.00 0.00 178.00 179.25 1ydg h ALA 72 N 1.69 2.20 -0.46 -0.75 0.00 -1.98 -1.76 119.26 118.20 1ydg h ALA 72 Ca 0.60 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 1ydg h ALA 72 Cb 1.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ydg h ALA 72 CO -0.43 -0.35 0.14 -0.44 0.00 0.00 0.00 179.25 178.17 1ydg h ASP 73 N 0.26 0.67 -0.35 0.00 3.32 -1.74 -0.33 116.42 118.26 1ydg h ASP 73 Ca 0.28 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1ydg h ASP 73 Cb 0.74 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1ydg h ASP 73 CO -0.06 0.71 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.81 1ydg h LEU 74 N 0.60 0.85 -0.79 1.55 3.38 -1.43 0.22 115.31 119.69 1ydg h LEU 74 Ca 0.15 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.78 1ydg h LEU 74 Cb 0.28 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1ydg h LEU 74 CO -0.00 1.12 0.40 -0.08 0.09 0.00 0.00 178.44 179.97 1ydg h GLU 75 N 0.59 0.61 -0.34 1.13 4.81 -1.31 -2.19 114.58 117.88 1ydg h GLU 75 Ca 0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1ydg h GLU 75 Cb 0.86 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ydg h GLU 75 CO 0.07 0.41 0.09 2.35 -0.73 0.00 0.00 179.01 181.20 1ydg h TRP 76 N 0.63 0.56 -4.02 0.92 7.01 -0.65 -3.46 115.95 116.95 1ydg h TRP 76 Ca 0.41 -0.06 -0.52 0.00 2.11 0.00 0.00 58.89 60.82 1ydg h TRP 76 Cb 0.50 -0.16 0.09 0.00 -2.10 0.00 0.00 29.16 27.49 1ydg h TRP 76 CO -0.10 0.57 0.53 0.00 -2.79 0.00 0.00 178.44 176.65 1ydg s ALA 77 N -5.32 2.92 -0.03 2.65 0.00 0.72 -4.89 121.76 117.81 1ydg s ALA 77 Ca -0.13 1.08 0.16 0.00 0.00 0.00 0.00 51.96 53.06 1ydg s ALA 77 Cb 0.09 -3.45 -0.25 0.00 0.00 0.00 0.00 23.12 19.52 1ydg s ALA 77 CO 0.75 -0.91 0.35 0.39 0.00 0.00 0.00 175.76 176.35 1ydg n GLU 78 N -0.67 0.50 -4.33 0.00 1.02 0.21 -4.93 120.64 112.44 1ydg n GLU 78 Ca 0.08 -0.14 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 1ydg n GLU 78 Cb 0.47 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.35 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 -3.10 1.00 -0.06 0.62 0.00 -0.67 -1.63 121.76 117.93 1ydg s ALA 79 Ca -0.06 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1ydg s ALA 79 Cb 0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ydg s ALA 79 CO 0.66 0.00 -0.22 0.42 0.00 0.00 0.00 175.76 176.63 1ydg s ILE 80 N 0.89 1.81 -0.11 0.00 1.01 0.76 -0.85 121.20 124.71 1ydg s ILE 80 Ca -0.11 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1ydg s ILE 80 Cb -0.15 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1ydg s ILE 80 CO 0.01 0.51 -0.20 -0.69 0.00 0.00 0.00 174.94 174.57 1ydg s VAL 81 N 0.03 1.80 -0.10 2.92 1.01 0.07 -1.70 120.40 124.44 1ydg s VAL 81 Ca -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ydg s VAL 81 Cb -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1ydg s VAL 81 CO 0.04 0.50 0.02 -0.36 0.00 0.00 0.00 175.10 175.30 1ydg s PHE 82 N 0.66 3.20 -0.06 5.22 0.40 -0.51 -0.55 117.98 126.34 1ydg s PHE 82 Ca -0.12 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1ydg s PHE 82 Cb -0.16 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1ydg s PHE 82 CO 0.03 0.45 -0.02 0.45 0.70 0.00 0.00 175.22 176.83 1ydg s SER 83 N -0.75 1.24 0.02 1.36 0.15 -0.37 -1.25 113.70 114.09 1ydg s SER 83 Ca 0.12 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1ydg s SER 83 Cb -0.12 -0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1ydg s SER 83 CO 0.02 -0.12 -0.03 -0.55 1.20 0.00 0.00 173.24 173.76 1ydg s SER 84 N 1.42 0.31 0.69 5.45 0.15 -1.02 -0.95 113.70 119.75 1ydg s SER 84 Ca -0.03 -0.35 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 1ydg s SER 84 Cb -0.13 0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1ydg s SER 84 CO -0.03 -0.18 1.17 -2.84 1.20 0.00 0.00 173.24 172.56 1ydg s PRO 85 N -1.02 2.47 0.27 5.44 0.02 -1.26 -3.07 135.00 137.85 1ydg s PRO 85 Ca -0.10 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 1ydg s PRO 85 Cb -0.07 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1ydg s PRO 85 CO -0.00 -1.56 0.98 -0.08 -0.33 0.00 0.00 177.00 176.01 1ydg s THR 86 N -2.04 3.94 -0.21 0.99 -1.32 -0.07 -3.61 115.64 113.32 1ydg s THR 86 Ca 0.72 1.87 -0.03 0.00 -1.21 0.00 0.00 61.69 63.04 1ydg s THR 86 Cb -0.26 -4.15 0.07 0.00 -1.51 0.00 0.00 72.50 66.64 1ydg s THR 86 CO 0.42 0.38 0.05 -0.60 -2.21 0.00 0.00 174.62 172.66 1ydg s ARG 87 N -1.46 0.61 -1.59 7.08 6.06 0.09 -4.85 118.95 124.89 1ydg s ARG 87 Ca 0.44 -0.49 -0.12 0.00 -2.50 0.00 0.00 55.73 53.06 1ydg s ARG 87 Cb -0.26 -2.04 0.10 0.00 0.06 0.00 0.00 34.95 32.81 1ydg s ARG 87 CO 0.32 -0.70 0.71 1.19 -2.50 0.00 0.00 175.30 174.32 1ydg n PHE 88 N 5.05 -1.80 -0.76 5.12 3.72 -1.26 -0.97 117.46 126.55 1ydg n PHE 88 Ca -0.08 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 1ydg n PHE 88 Cb 0.46 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.66 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 -1.62 1.40 3.72 1.37 0.00 -1.26 -5.00 105.19 103.79 1ydg n GLY 89 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.22 3.81 -0.02 0.00 -0.14 -1.95 105.19 108.11 1ydg n GLY 90 Ca 0.00 -2.34 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 -2.84 2.42 0.74 4.61 0.00 -1.26 -0.73 121.76 124.70 1ydg s ALA 91 Ca 0.13 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 1ydg s ALA 91 Cb -0.01 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.03 1ydg s ALA 91 CO 0.08 -1.54 1.16 0.95 0.00 0.00 0.00 175.76 176.42 1ydg s THR 92 N -3.14 2.64 0.30 0.00 -4.23 -1.24 -4.57 115.64 105.40 1ydg s THR 92 Ca 0.60 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.42 1ydg s THR 92 Cb -0.14 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1ydg s THR 92 CO 0.54 -0.19 1.84 0.77 -0.54 0.00 0.00 174.62 177.04 1ydg h SER 93 N -0.47 0.88 -0.47 3.99 4.64 -1.96 -2.38 113.55 117.79 1ydg h SER 93 Ca -0.46 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1ydg h SER 93 Cb 1.27 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1ydg h SER 93 CO 0.50 0.46 0.26 1.56 -0.87 0.00 0.00 176.83 178.74 1ydg h GLN 94 N 0.94 0.51 -0.35 4.77 7.50 -1.91 0.40 115.11 126.96 1ydg h GLN 94 Ca 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.58 1ydg h GLN 94 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 1ydg h GLN 94 CO -0.26 0.33 0.08 1.98 -1.50 0.00 0.00 178.83 179.46 1ydg h MET 95 N 0.52 0.58 -0.93 1.46 4.05 -1.81 -2.48 114.93 116.31 1ydg h MET 95 Ca 0.19 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1ydg h MET 95 Cb 0.05 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 1ydg h MET 95 CO -0.11 0.63 0.62 0.00 0.23 0.00 0.00 176.91 178.28 1ydg h ARG 96 N 0.42 1.19 -0.39 0.39 2.47 -1.11 -0.09 114.38 117.27 1ydg h ARG 96 Ca 0.11 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1ydg h ARG 96 Cb 0.32 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1ydg h ARG 96 CO 0.00 0.79 0.17 0.00 0.56 0.00 0.00 179.97 181.50 1ydg h ALA 97 N 1.43 0.50 -0.68 0.04 0.00 -0.76 0.50 119.26 120.29 1ydg h ALA 97 Ca 0.35 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ydg h ALA 97 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1ydg h ALA 97 CO -0.09 0.08 0.43 0.35 0.00 0.00 0.00 179.25 180.02 1ydg h PHE 98 N 0.48 0.81 -0.73 0.00 3.57 -1.09 -2.71 116.94 117.28 1ydg h PHE 98 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1ydg h PHE 98 Cb 0.14 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1ydg h PHE 98 CO -0.01 0.48 0.46 0.82 -2.23 0.00 0.00 178.31 177.83 1ydg h ILE 99 N 0.86 1.20 0.00 1.41 2.04 -0.34 -2.24 117.51 120.44 1ydg h ILE 99 Ca 0.27 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1ydg h ILE 99 Cb -0.02 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1ydg h ILE 99 CO -0.09 0.20 -0.00 0.44 0.00 0.00 0.00 178.15 178.70 1ydg h ASP 100 N 0.99 0.00 -0.06 1.72 5.19 0.28 -0.84 116.42 123.71 1ydg h ASP 100 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1ydg h ASP 100 Cb -0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1ydg h ASP 100 CO -0.05 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.42 1ydg n THR 101 N -3.10 0.08 -0.20 0.35 -2.24 -0.84 -3.84 114.28 104.48 1ydg n THR 101 Ca -0.02 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1ydg n THR 101 Cb 0.12 -0.05 0.31 0.00 -2.10 0.00 0.00 70.33 68.61 1ydg n THR 101 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ydg n LEU 102 N -0.40 3.74 -0.14 3.22 4.77 -0.32 -4.55 117.00 123.32 1ydg n LEU 102 Ca 0.09 -1.87 -0.09 0.00 -0.03 0.00 0.00 56.01 54.11 1ydg n LEU 102 Cb 0.10 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1ydg n LEU 102 CO 0.07 0.90 0.94 1.23 -1.33 0.00 0.00 177.39 179.20 1ydg h GLY 103 N 4.49 0.66 0.96 -0.72 0.00 -1.78 -0.58 103.07 106.12 1ydg h GLY 103 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1ydg h GLY 103 CO 0.02 0.33 0.21 -1.33 0.00 0.00 0.00 176.54 175.77 1ydg h GLY 104 N 0.54 0.73 0.98 4.60 0.00 -1.92 0.17 103.07 108.17 1ydg h GLY 104 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1ydg h GLY 104 CO -0.01 0.35 0.26 -2.00 0.00 0.00 0.00 176.54 175.14 1ydg h LEU 105 N 0.61 0.74 -0.62 3.11 5.85 -1.83 -2.62 115.31 120.55 1ydg h LEU 105 Ca 0.16 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ydg h LEU 105 Cb 0.15 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1ydg h LEU 105 CO -0.02 0.67 0.32 -0.25 -0.34 0.00 0.00 178.44 178.83 1ydg h TRP 106 N 0.76 0.87 -0.21 1.25 7.01 -0.80 -1.81 115.95 123.02 1ydg h TRP 106 Ca 0.19 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1ydg h TRP 106 Cb 0.14 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1ydg h TRP 106 CO -0.00 0.64 0.19 0.77 -2.79 0.00 0.00 178.44 177.25 1ydg h SER 107 N 0.85 0.00 -0.32 2.65 0.02 -0.31 -1.27 113.55 115.17 1ydg h SER 107 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ydg h SER 107 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ydg h SER 107 CO -0.03 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.46 1ydg n SER 108 N -4.01 2.80 -1.43 3.07 7.64 -1.07 -4.93 113.62 115.70 1ydg n SER 108 Ca 0.02 -1.90 -0.15 0.00 1.01 0.00 0.00 58.87 57.85 1ydg n SER 108 Cb 0.33 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1ydg n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ydg n GLY 109 N 1.37 0.72 1.21 0.23 0.00 -0.48 -4.90 105.19 103.34 1ydg n GLY 109 Ca 0.18 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.51 2.79 0.00 1.61 5.02 -0.70 -3.34 118.16 121.02 1ydg n LYS 110 Ca -0.17 -2.19 0.05 0.00 -2.02 0.00 0.00 58.31 53.98 1ydg n LYS 110 Cb 0.56 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.02 0.66 -4.76 -0.35 4.77 -1.26 -4.69 117.00 112.40 1ydg n LEU 111 Ca 0.20 -0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.22 1ydg n LEU 111 Cb 0.62 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1ydg n LEU 111 CO 0.16 0.15 0.95 0.00 -1.33 0.00 0.00 177.39 177.32 1ydg s ALA 112 N -1.76 3.02 0.00 -1.18 0.00 -1.13 -3.57 121.76 117.15 1ydg s ALA 112 Ca 0.05 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1ydg s ALA 112 Cb 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ydg s ALA 112 CO 0.35 -1.02 0.00 0.09 0.00 0.00 0.00 175.76 175.19 1ydg n ASN 113 N -0.48 -1.43 -4.78 0.00 3.02 -0.07 -4.94 115.26 106.59 1ydg n ASN 113 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 1ydg n ASN 113 Cb 0.45 -1.10 -0.06 0.00 -0.61 0.00 0.00 39.78 38.46 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 -0.46 4.57 0.44 3.52 1.02 -1.23 -4.66 119.74 122.93 1ydg s LYS 114 Ca 0.00 1.38 -0.21 0.00 0.02 0.00 0.00 55.97 57.16 1ydg s LYS 114 Cb 0.00 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.38 1ydg s LYS 114 CO 0.00 0.26 0.99 0.95 -0.92 0.00 0.00 175.35 176.63 1ydg s THR 115 N -1.57 4.10 -0.02 2.17 -4.23 -0.65 -1.01 115.64 114.44 1ydg s THR 115 Ca 0.50 1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 62.36 1ydg s THR 115 Cb -0.20 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1ydg s THR 115 CO 0.25 -0.24 0.04 0.12 -0.54 0.00 0.00 174.62 174.26 1ydg s PHE 116 N -2.03 -0.01 0.09 3.99 5.36 -0.48 -0.17 117.98 124.73 1ydg s PHE 116 Ca 0.63 0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1ydg s PHE 116 Cb -0.13 -0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.37 1ydg s PHE 116 CO 0.17 -0.08 0.04 -1.54 -1.46 0.00 0.00 175.22 172.36 1ydg s SER 117 N 0.78 0.36 0.16 6.13 1.04 -0.69 -1.15 113.70 120.33 1ydg s SER 117 Ca -0.06 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.38 1ydg s SER 117 Cb -0.09 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 1ydg s SER 117 CO -0.03 -0.68 -0.14 0.00 0.98 0.00 0.00 173.24 173.37 1ydg s ALA 118 N -3.97 1.74 0.05 5.32 0.00 -1.26 -1.42 121.76 122.22 1ydg s ALA 118 Ca 0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1ydg s ALA 118 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1ydg s ALA 118 CO -0.05 0.07 0.02 -1.64 0.00 0.00 0.00 175.76 174.16 1ydg s MET 119 N -3.26 0.59 0.25 0.00 -1.94 -0.38 -3.84 119.30 110.71 1ydg s MET 119 Ca 0.16 -1.02 -0.08 0.00 -1.71 0.00 0.00 55.69 53.04 1ydg s MET 119 Cb -0.02 0.22 -0.01 0.00 2.01 0.00 0.00 34.83 37.02 1ydg s MET 119 CO 0.04 -0.13 0.37 -0.08 -0.01 0.00 0.00 175.02 175.22 1ydg s THR 120 N -3.35 0.00 -0.15 2.05 -1.32 -0.22 -2.42 115.64 110.23 1ydg s THR 120 Ca 0.02 -1.62 -0.11 0.00 -1.21 0.00 0.00 61.69 58.76 1ydg s THR 120 Cb 0.04 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1ydg s THR 120 CO -0.08 0.00 0.38 -0.94 -2.21 0.00 0.00 174.62 171.77 1ydg s SER 121 N -3.09 -0.42 -0.10 8.08 1.04 -1.17 -2.27 113.70 115.76 1ydg s SER 121 Ca 0.29 0.78 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 1ydg s SER 121 Cb 0.02 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.91 1ydg s SER 121 CO 0.12 -0.15 0.31 0.00 0.98 0.00 0.00 173.24 174.49 1ydg s ALA 122 N 0.62 -0.76 0.25 5.32 0.00 -0.27 -0.89 121.76 126.05 1ydg s ALA 122 Ca -0.03 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1ydg s ALA 122 Cb -0.05 -0.42 0.45 0.00 0.00 0.00 0.00 23.12 23.10 1ydg s ALA 122 CO -0.04 -0.16 1.80 1.96 0.00 0.00 0.00 175.76 179.32 1ydg h GLN 123 N 5.41 0.74 -5.41 0.00 4.20 -1.87 0.16 115.11 118.34 1ydg h GLN 123 Ca -0.27 -0.04 -0.63 0.00 0.06 0.00 0.00 58.65 57.77 1ydg h GLN 123 Cb 1.19 -0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.69 1ydg h GLN 123 CO 0.32 0.49 -0.50 -0.80 -0.67 0.00 0.00 178.83 177.67 1ydg s ASN 124 N -5.56 6.13 0.23 1.46 0.01 -1.26 -4.54 114.94 111.42 1ydg s ASN 124 Ca -0.12 0.27 -0.06 0.00 -0.71 0.00 0.00 52.86 52.24 1ydg s ASN 124 Cb 0.20 -2.04 0.38 0.00 0.41 0.00 0.00 41.25 40.20 1ydg s ASN 124 CO 0.78 0.25 1.75 0.58 -1.51 0.00 0.00 177.10 178.96 1ydg h VAL 125 N 4.48 0.76 -0.73 1.60 2.07 -1.96 -0.48 116.25 122.00 1ydg h VAL 125 Ca -0.45 -0.18 -0.44 0.00 0.82 0.00 0.00 66.70 66.46 1ydg h VAL 125 Cb 1.18 0.21 -0.25 0.00 -1.52 0.00 0.00 31.29 30.90 1ydg h VAL 125 CO 0.69 0.09 0.21 0.59 0.02 0.00 0.00 177.57 179.18 1ydg n ASN 126 N -4.94 4.40 -1.71 0.57 4.13 -1.26 -4.82 115.26 111.63 1ydg n ASN 126 Ca 0.12 -3.75 -0.13 0.00 1.68 0.00 0.00 54.58 52.50 1ydg n ASN 126 Cb 0.33 -0.72 0.06 0.00 -1.54 0.00 0.00 39.78 37.90 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 -1.02 3.57 0.99 7.41 0.00 -0.19 -4.72 105.19 111.22 1ydg n GLY 127 Ca 0.49 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.11 0.75 0.39 -0.02 0.00 -1.26 -4.38 105.19 100.77 1ydg n GLY 128 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 3.52 -0.28 -0.70 1.61 4.20 -1.86 -0.61 115.11 120.98 1ydg h GLN 129 Ca 0.00 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1ydg h GLN 129 Cb 0.00 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1ydg h GLN 129 CO 0.00 -0.19 0.42 0.93 -0.67 0.00 0.00 178.83 179.32 1ydg h GLU 130 N -0.29 0.76 -0.42 1.46 5.08 -1.94 -1.63 114.58 117.60 1ydg h GLU 130 Ca 0.15 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ydg h GLU 130 Cb 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ydg h GLU 130 CO -0.60 0.50 0.04 1.79 -1.00 0.00 0.00 179.01 179.75 1ydg h THR 131 N 0.79 1.21 -0.53 1.13 1.35 -1.66 -0.73 112.91 114.47 1ydg h THR 131 Ca 0.30 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1ydg h THR 131 Cb 0.13 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.36 1ydg h THR 131 CO -0.15 0.29 0.30 0.74 -0.25 0.00 0.00 175.52 176.45 1ydg h THR 132 N 0.63 1.17 -0.40 6.82 2.02 -0.22 -1.46 112.91 121.47 1ydg h THR 132 Ca 0.14 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1ydg h THR 132 Cb 0.33 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ydg h THR 132 CO 0.01 0.18 0.06 -0.07 0.37 0.00 0.00 175.52 176.07 1ydg h LEU 133 N 0.71 0.65 -0.53 2.58 3.38 -0.87 -2.64 115.31 118.58 1ydg h LEU 133 Ca 0.19 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1ydg h LEU 133 Cb 0.02 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1ydg h LEU 133 CO -0.03 0.75 0.24 -0.61 0.09 0.00 0.00 178.44 178.87 1ydg h GLN 134 N 0.52 0.44 -0.13 1.13 4.15 -0.80 -1.42 115.11 118.99 1ydg h GLN 134 Ca 0.12 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1ydg h GLN 134 Cb 0.38 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1ydg h GLN 134 CO 0.01 0.29 -0.22 1.79 -1.93 0.00 0.00 178.83 178.77 1ydg h THR 135 N 0.45 1.22 -0.18 2.39 1.35 -1.08 -0.25 112.91 116.82 1ydg h THR 135 Ca 0.25 -1.01 -0.17 0.00 -0.55 0.00 0.00 66.41 64.92 1ydg h THR 135 Cb 0.22 1.37 0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1ydg h THR 135 CO -0.21 0.31 -0.57 -0.07 -0.25 0.00 0.00 175.52 174.73 1ydg h LEU 136 N 0.20 0.80 -0.52 3.87 3.38 -1.06 -2.63 115.31 119.36 1ydg h LEU 136 Ca 0.04 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1ydg h LEU 136 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1ydg h LEU 136 CO 0.03 1.26 0.15 1.88 0.09 0.00 0.00 178.44 181.86 1ydg h TYR 137 N 0.39 0.84 -0.69 1.13 0.05 -0.97 -2.18 116.97 115.55 1ydg h TYR 137 Ca -0.02 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.70 1ydg h TYR 137 Cb 1.19 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.64 1ydg h TYR 137 CO 0.09 0.73 0.43 0.52 -1.05 0.00 0.00 178.16 178.88 1ydg h MET 138 N 0.71 0.80 -0.23 4.88 2.86 -1.07 -1.70 114.93 121.18 1ydg h MET 138 Ca 0.17 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1ydg h MET 138 Cb 0.29 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1ydg h MET 138 CO -0.00 0.53 -0.01 1.15 1.06 0.00 0.00 176.91 179.64 1ydg h THR 139 N 0.83 0.83 -0.17 2.22 2.02 -1.37 -2.15 112.91 115.11 1ydg h THR 139 Ca 0.28 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.49 1ydg h THR 139 Cb 0.04 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1ydg h THR 139 CO -0.12 0.01 0.15 0.00 0.37 0.00 0.00 175.52 175.93 1ydg h ALA 140 N 1.20 1.95 -0.48 6.16 0.00 -0.70 -1.56 119.26 125.83 1ydg h ALA 140 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 140 Cb 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ydg h ALA 140 CO -0.19 -0.24 -0.02 0.52 0.00 0.00 0.00 179.25 179.33 1ydg h MET 141 N 0.00 0.80 -0.03 0.00 2.86 -0.64 -2.32 114.93 115.60 1ydg h MET 141 Ca 0.08 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ydg h MET 141 Cb 0.38 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1ydg h MET 141 CO -0.00 0.82 0.03 0.45 1.06 0.00 0.00 176.91 179.27 1ydg h HIS 142 N 0.74 0.00 0.00 -0.22 3.86 -1.25 -1.28 115.15 117.00 1ydg h HIS 142 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1ydg h HIS 142 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1ydg h HIS 142 CO 0.03 0.00 0.00 0.91 0.86 0.00 0.00 177.93 179.73 1ydg n TRP 143 N -4.39 0.00 -2.49 2.45 8.01 -0.95 -4.91 117.44 115.17 1ydg n TRP 143 Ca -0.02 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.03 1ydg n TRP 143 Cb 0.12 -0.50 0.01 0.00 -2.01 0.00 0.00 31.31 28.94 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 1.37 -0.14 3.78 6.99 0.00 -0.48 -2.83 105.19 113.87 1ydg n GLY 144 Ca 0.07 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.80 2.51 -0.44 4.61 0.00 -0.91 -0.89 121.76 123.83 1ydg s ALA 145 Ca 0.09 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1ydg s ALA 145 Cb -0.04 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1ydg s ALA 145 CO 0.11 -1.21 0.43 0.08 0.00 0.00 0.00 175.76 175.18 1ydg s VAL 146 N -2.36 5.12 -0.05 0.00 1.01 -0.18 -4.82 120.40 119.12 1ydg s VAL 146 Ca 0.66 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1ydg s VAL 146 Cb -0.20 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1ydg s VAL 146 CO 0.41 -0.49 0.82 -0.76 0.00 0.00 0.00 175.10 175.08 1ydg s LEU 147 N 2.02 4.32 -0.53 3.92 1.43 -1.26 -1.38 118.68 127.20 1ydg s LEU 147 Ca 0.09 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 1ydg s LEU 147 Cb -0.19 -3.29 0.30 0.00 0.03 0.00 0.00 46.19 43.04 1ydg s LEU 147 CO 0.11 -0.20 0.79 0.35 0.23 0.00 0.00 176.35 177.63 1ydg n THR 148 N 3.91 1.73 -1.46 5.49 -2.24 -0.30 -4.92 114.28 116.49 1ydg n THR 148 Ca 0.02 -5.07 -0.32 0.00 -2.27 0.00 0.00 64.05 56.41 1ydg n THR 148 Cb 0.51 -1.48 0.08 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.66 2.40 0.38 -0.78 0.04 -1.26 -4.72 135.00 128.41 1ydg s PRO 149 Ca 0.43 1.36 0.16 0.00 0.04 0.00 0.00 61.00 62.98 1ydg s PRO 149 Cb 0.24 -1.90 0.78 0.00 0.04 0.00 0.00 34.50 33.66 1ydg s PRO 149 CO -0.09 -1.56 1.83 -1.00 0.04 0.00 0.00 177.00 176.22 1ydg h PRO 150 N -0.57 0.00 0.00 0.56 0.13 -1.79 -3.49 132.00 126.84 1ydg h PRO 150 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ydg h PRO 150 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ydg h PRO 150 CO 0.52 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 1ydg n GLY 151 N -0.31 1.44 2.55 1.56 0.00 -0.35 -2.73 105.19 107.34 1ydg n GLY 151 Ca -0.02 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 2.91 3.15 1.74 1.61 4.02 -1.26 -4.11 117.16 125.22 1ydg n TYR 152 Ca 0.00 -2.71 0.15 0.00 -0.01 0.00 0.00 57.90 55.33 1ydg n TYR 152 Cb 0.00 -0.67 0.72 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.59 0.00 -3.96 -0.72 -2.24 -1.11 -4.73 114.28 100.94 1ydg n THR 153 Ca 0.48 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 62.04 1ydg n THR 153 Cb 0.55 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.99 0.22 0.53 3.42 2.15 -1.26 -5.03 116.67 114.72 1ydg s ASP 154 Ca 0.43 -0.58 0.20 0.00 0.43 0.00 0.00 52.55 53.03 1ydg s ASP 154 Cb 0.21 0.20 1.34 0.00 -0.30 0.00 0.00 42.92 44.37 1ydg s ASP 154 CO 0.35 -0.48 2.09 -0.08 -0.17 0.00 0.00 175.17 176.89 1ydg h GLU 155 N 3.80 0.00 -0.98 4.34 4.57 -2.01 -2.10 114.58 122.20 1ydg h GLU 155 Ca -0.33 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.04 1ydg h GLU 155 Cb 1.18 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 1ydg h GLU 155 CO 0.50 0.00 0.61 -0.24 -1.18 0.00 0.00 179.01 178.71 1ydg h VAL 156 N 0.00 0.74 0.33 0.32 3.04 -1.95 -2.38 116.25 116.35 1ydg h VAL 156 Ca 0.10 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1ydg h VAL 156 Cb 0.40 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1ydg h VAL 156 CO -0.00 0.13 -0.16 0.40 -1.01 0.00 0.00 177.57 176.93 1ydg h ILE 157 N 0.72 0.68 -0.97 3.17 1.08 -1.74 -2.71 117.51 117.75 1ydg h ILE 157 Ca 0.54 -0.05 0.22 0.00 -0.39 0.00 0.00 64.86 65.18 1ydg h ILE 157 Cb 0.89 0.71 -0.12 0.00 -3.07 0.00 0.00 36.82 35.24 1ydg h ILE 157 CO -0.31 0.01 0.54 -0.26 -0.69 0.00 0.00 178.15 177.44 1ydg h PHE 158 N -0.47 0.92 -0.19 1.37 0.04 -1.55 -0.66 116.94 116.41 1ydg h PHE 158 Ca -0.05 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.61 1ydg h PHE 158 Cb 0.36 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1ydg h PHE 158 CO -0.05 0.08 -0.51 0.87 -0.60 0.00 0.00 178.31 178.10 1ydg h LYS 159 N 0.58 0.52 -0.95 1.51 1.57 -1.28 -3.28 116.57 115.25 1ydg h LYS 159 Ca 0.60 -0.31 -0.33 0.00 -1.87 0.00 0.00 60.65 58.73 1ydg h LYS 159 Cb 1.07 0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.21 1ydg h LYS 159 CO -0.46 0.91 0.42 -1.13 -0.57 0.00 0.00 179.45 178.63 1ydg n SER 160 N -3.97 3.77 0.00 0.86 3.41 -0.88 -4.81 113.62 112.00 1ydg n SER 160 Ca -0.03 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1ydg n SER 160 Cb 0.58 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.56 0.84 3.07 5.00 0.00 -1.24 -4.73 105.19 107.57 1ydg n GLY 161 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.17 -1.23 3.21 -0.02 0.00 -0.31 -4.99 105.19 100.69 1ydg n GLY 162 Ca 0.00 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.03 5.72 0.39 1.61 3.84 -1.26 -4.94 114.94 117.27 1ydg s ASN 163 Ca 0.04 -1.93 0.28 0.00 0.21 0.00 0.00 52.86 51.46 1ydg s ASN 163 Cb -0.01 -2.02 1.10 0.00 -0.55 0.00 0.00 41.25 39.78 1ydg s ASN 163 CO 0.74 -0.70 1.83 1.55 -2.79 0.00 0.00 177.10 177.74 1ydg h PRO 164 N 8.44 0.00 0.00 0.43 0.13 -1.95 -3.03 132.00 136.02 1ydg h PRO 164 Ca -0.21 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1ydg h PRO 164 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1ydg h PRO 164 CO 0.86 0.00 -0.59 1.88 -0.23 0.00 0.00 178.00 179.93 1ydg h TYR 165 N 0.00 0.00 0.00 1.56 0.99 -1.92 -0.92 116.97 116.68 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 0.49 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1ydg h TYR 165 CO 0.00 0.59 0.00 0.41 -0.00 0.00 0.00 178.16 179.16 1ydg n GLY 166 N 0.58 3.09 3.68 3.88 0.00 -1.14 -4.55 105.19 110.72 1ydg n GLY 166 Ca -0.00 -1.07 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.20 1.54 -3.63 4.61 0.00 -1.25 -4.71 120.51 115.88 1ydg n ALA 167 Ca 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1ydg n ALA 167 Cb 0.00 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 1ydg n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ydg s SER 168 N 1.57 0.97 -0.05 0.00 1.04 -1.26 -1.06 113.70 114.90 1ydg s SER 168 Ca 0.81 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 57.16 1ydg s SER 168 Cb -0.64 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.02 1ydg s SER 168 CO 0.39 -0.06 -0.22 -0.69 0.98 0.00 0.00 173.24 173.64 1ydg s VAL 169 N 0.94 1.84 -0.47 5.02 1.01 -0.96 -4.98 120.40 122.79 1ydg s VAL 169 Ca -0.11 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1ydg s VAL 169 Cb -0.14 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ydg s VAL 169 CO -0.00 0.52 0.64 -0.89 0.00 0.00 0.00 175.10 175.37 1ydg s THR 170 N -0.10 4.83 -0.50 3.92 2.01 -1.26 -1.11 115.64 123.43 1ydg s THR 170 Ca -0.03 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 1ydg s THR 170 Cb -0.13 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1ydg s THR 170 CO 0.03 -0.69 1.29 0.00 -0.69 0.00 0.00 174.62 174.56 1ydg s ALA 171 N 2.79 3.02 -0.40 7.40 0.00 0.54 -4.89 121.76 130.22 1ydg s ALA 171 Ca 0.20 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.77 1ydg s ALA 171 Cb -0.16 -3.98 0.36 0.00 0.00 0.00 0.00 23.12 19.34 1ydg s ALA 171 CO 0.16 -2.52 0.97 0.27 0.00 0.00 0.00 175.76 174.64 1ydg n ASN 172 N 8.61 -0.59 0.00 0.00 0.23 -1.26 -3.59 115.26 118.66 1ydg n ASN 172 Ca 0.13 -3.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.00 1ydg n ASN 172 Cb 0.49 0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.72 1ydg n ASN 172 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ydg n GLY 173 N 0.17 1.79 3.71 4.83 0.00 -1.26 -4.96 105.19 109.47 1ydg n GLY 173 Ca 0.13 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 1.11 -1.41 1.61 3.00 -1.26 -5.02 117.38 115.41 1ydg n GLN 174 Ca 0.00 0.43 -0.29 0.00 -0.01 0.00 0.00 57.00 57.13 1ydg n GLN 174 Cb 0.00 -2.48 0.19 0.00 0.00 0.00 0.00 30.24 27.95 1ydg n GLN 174 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1ydg s PRO 175 N -3.25 0.06 0.09 -1.09 0.04 -1.26 -4.95 135.00 124.64 1ydg s PRO 175 Ca 0.81 0.03 -0.35 0.00 0.04 0.00 0.00 61.00 61.54 1ydg s PRO 175 Cb -0.39 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 1ydg s PRO 175 CO 0.42 -2.88 1.57 1.28 0.04 0.00 0.00 177.00 177.43 1ydg n LEU 176 N -4.19 2.79 -4.80 -3.56 4.32 -1.26 -4.99 117.00 105.31 1ydg n LEU 176 Ca 0.11 1.08 -0.31 0.00 -0.02 0.00 0.00 56.01 56.87 1ydg n LEU 176 Cb 0.59 -1.36 0.08 0.00 -1.62 0.00 0.00 43.42 41.11 1ydg n LEU 176 CO 0.50 -0.43 0.71 -0.76 -1.22 0.00 0.00 177.39 176.19 1ydg s LEU 177 N 1.34 2.86 0.26 2.23 1.43 -1.26 -4.93 118.68 120.61 1ydg s LEU 177 Ca 0.83 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 1ydg s LEU 177 Cb -0.76 -4.26 0.32 0.00 0.03 0.00 0.00 46.19 41.53 1ydg s LEU 177 CO 0.43 -1.81 1.63 -0.08 0.23 0.00 0.00 176.35 176.75 1ydg h GLU 178 N -0.98 0.36 -0.59 1.70 4.57 -2.00 -2.18 114.58 115.48 1ydg h GLU 178 Ca -0.45 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 57.49 1ydg h GLU 178 Cb 1.24 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1ydg h GLU 178 CO 0.57 0.74 0.17 -0.91 -1.18 0.00 0.00 179.01 178.40 1ydg h ASN 179 N 0.30 0.83 -0.00 1.04 2.35 -1.95 -1.15 115.58 116.99 1ydg h ASN 179 Ca 0.02 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1ydg h ASN 179 Cb 0.91 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1ydg h ASN 179 CO 0.08 0.79 0.00 0.44 -1.65 0.00 0.00 177.43 177.08 1ydg h ASP 180 N 0.86 0.00 -0.43 5.81 3.32 -1.81 -1.87 116.42 122.31 1ydg h ASP 180 Ca 0.19 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ydg h ASP 180 Cb 0.27 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1ydg h ASP 180 CO -0.01 0.17 0.26 0.03 -1.72 0.00 0.00 179.24 177.98 1ydg h ARG 181 N -0.17 0.52 -0.80 3.56 3.08 -1.27 -1.69 114.38 117.62 1ydg h ARG 181 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ydg h ARG 181 Cb 0.17 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1ydg h ARG 181 CO -0.00 0.34 0.35 0.00 -1.07 0.00 0.00 179.97 179.59 1ydg h ALA 182 N 1.18 1.03 -0.69 0.04 0.00 -1.21 0.03 119.26 119.64 1ydg h ALA 182 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ydg h ALA 182 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1ydg h ALA 182 CO -0.06 0.63 0.23 0.66 0.00 0.00 0.00 179.25 180.71 1ydg h SER 183 N 1.14 1.00 -0.37 0.00 4.64 -1.01 -1.86 113.55 117.09 1ydg h SER 183 Ca 0.27 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1ydg h SER 183 Cb 0.17 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1ydg h SER 183 CO -0.03 0.93 0.21 0.40 -0.87 0.00 0.00 176.83 177.47 1ydg h ILE 184 N 1.01 1.14 -0.54 0.95 2.04 -0.88 -2.26 117.51 118.97 1ydg h ILE 184 Ca 0.23 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ydg h ILE 184 Cb 0.28 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1ydg h ILE 184 CO -0.01 0.14 0.34 0.03 0.00 0.00 0.00 178.15 178.65 1ydg h ARG 185 N 0.48 0.71 -0.15 2.37 3.08 -0.83 -2.40 114.38 117.65 1ydg h ARG 185 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ydg h ARG 185 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1ydg h ARG 185 CO -0.02 0.49 0.09 1.25 -1.07 0.00 0.00 179.97 180.71 1ydg h HIS 186 N 0.73 0.17 -0.47 3.04 2.76 -1.25 -0.16 115.15 119.96 1ydg h HIS 186 Ca 0.20 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 1ydg h HIS 186 Cb -0.06 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 1ydg h HIS 186 CO -0.03 0.11 0.15 0.37 -1.30 0.00 0.00 177.93 177.23 1ydg h GLN 187 N 0.19 0.31 -0.08 5.26 4.15 -1.19 0.40 115.11 124.16 1ydg h GLN 187 Ca 0.05 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.30 1ydg h GLN 187 Cb -0.02 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.61 1ydg h GLN 187 CO -0.02 0.20 -0.54 0.28 -1.93 0.00 0.00 178.83 176.82 1ydg h VAL 188 N 0.32 1.38 0.01 2.39 2.07 -1.36 -1.19 116.25 119.86 1ydg h VAL 188 Ca 0.23 -1.90 0.02 0.00 0.82 0.00 0.00 66.70 65.87 1ydg h VAL 188 Cb 0.25 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1ydg h VAL 188 CO -0.24 0.57 -0.13 -0.09 0.02 0.00 0.00 177.57 177.70 1ydg h ARG 189 N 0.08 -0.21 -0.56 1.57 2.43 -0.83 0.69 114.38 117.55 1ydg h ARG 189 Ca -0.05 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1ydg h ARG 189 Cb 1.20 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 1ydg h ARG 189 CO 0.11 -0.14 0.16 -0.09 -1.51 0.00 0.00 179.97 178.49 1ydg h ARG 190 N -0.22 0.30 -0.54 0.20 2.43 -0.94 -0.67 114.38 114.94 1ydg h ARG 190 Ca 0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1ydg h ARG 190 Cb 0.27 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1ydg h ARG 190 CO -0.12 0.20 0.03 0.37 -1.51 0.00 0.00 179.97 178.94 1ydg h GLN 191 N 0.31 0.93 -0.73 0.20 4.15 -0.63 -0.50 115.11 118.82 1ydg h GLN 191 Ca 0.28 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1ydg h GLN 191 Cb 0.37 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1ydg h GLN 191 CO -0.33 0.93 0.41 0.28 -1.93 0.00 0.00 178.83 178.19 1ydg h VAL 192 N 0.81 1.22 -0.33 2.39 2.07 -0.59 -0.72 116.25 121.10 1ydg h VAL 192 Ca 0.16 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ydg h VAL 192 Cb 0.49 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ydg h VAL 192 CO 0.02 0.24 0.02 -0.33 0.02 0.00 0.00 177.57 177.55 1ydg h GLU 193 N 1.01 0.57 -0.75 1.57 5.08 -0.66 0.23 114.58 121.63 1ydg h GLU 193 Ca 0.26 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1ydg h GLU 193 Cb 0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1ydg h GLU 193 CO -0.04 0.68 0.40 -0.07 -1.00 0.00 0.00 179.01 178.97 1ydg h LEU 194 N 0.38 0.95 -0.55 1.33 3.38 -1.04 -1.98 115.31 117.77 1ydg h LEU 194 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ydg h LEU 194 Cb 0.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1ydg h LEU 194 CO 0.01 0.78 0.20 0.74 0.09 0.00 0.00 178.44 180.26 1ydg h THR 195 N 1.04 1.23 -0.70 0.22 2.02 -0.89 -1.16 112.91 114.66 1ydg h THR 195 Ca 0.26 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.73 1ydg h THR 195 Cb 0.06 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1ydg h THR 195 CO -0.04 0.28 0.44 0.00 0.37 0.00 0.00 175.52 176.57 1ydg h ALA 196 N 1.05 0.91 -0.53 6.16 0.00 -0.77 -1.63 119.26 124.45 1ydg h ALA 196 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ydg h ALA 196 Cb 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ydg h ALA 196 CO -0.01 0.22 0.33 0.87 0.00 0.00 0.00 179.25 180.66 1ydg h LYS 197 N 0.86 0.71 -0.54 0.00 1.57 -1.00 -0.02 116.57 118.14 1ydg h LYS 197 Ca 0.28 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1ydg h LYS 197 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1ydg h LYS 197 CO -0.10 0.50 0.29 -0.07 -0.57 0.00 0.00 179.45 179.49 1ydg h LEU 198 N 0.71 0.69 -0.36 2.94 3.38 -0.94 -1.53 115.31 120.19 1ydg h LEU 198 Ca 0.19 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1ydg h LEU 198 Cb -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1ydg h LEU 198 CO -0.04 0.59 -0.44 -0.07 0.09 0.00 0.00 178.44 178.57 1ydg h LEU 199 N 0.73 0.99 -0.93 1.67 3.38 -1.08 -2.33 115.31 117.74 1ydg h LEU 199 Ca 0.19 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1ydg h LEU 199 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1ydg h LEU 199 CO -0.03 1.28 0.30 -0.33 0.09 0.00 0.00 178.44 179.75 1ydg h GLU 200 N 0.73 1.07 0.00 1.13 5.08 -0.96 -3.07 114.58 118.57 1ydg h GLU 200 Ca 0.04 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1ydg h GLU 200 Cb 1.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1ydg h GLU 200 CO 0.11 0.87 -0.59 0.78 -1.00 0.00 0.00 179.01 179.17 1ydg h GLY 201 N 1.10 0.00 1.60 -3.84 0.00 -1.15 -3.27 103.07 97.51 1ydg h GLY 201 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1ydg h GLY 201 CO -0.02 0.00 -0.52 -1.33 0.00 0.00 0.00 176.54 174.66 1ydg h GLY 202 N 2.18 0.00 0.00 4.60 0.00 -1.36 -3.51 103.07 104.98 1ydg h GLY 202 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ydg h GLY 202 CO 0.08 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.36