#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu7 s SER 2 N 0.00 -0.62 0.14 1.61 0.15 -1.26 -5.18 113.70 108.54 2yu7 s SER 2 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2yu7 s SER 2 Cb 0.00 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2yu7 s SER 2 CO 0.00 -0.30 0.02 -0.55 1.20 0.00 0.00 173.24 173.61 2yu7 s SER 3 N -0.10 0.76 0.00 5.45 0.15 -1.26 -5.16 113.70 113.54 2yu7 s SER 3 Ca -0.02 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2yu7 s SER 3 Cb -0.04 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2yu7 s SER 3 CO 0.01 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2yu7 n GLY 4 N -0.15 -2.40 3.13 9.45 0.00 -1.26 -5.15 105.19 108.82 2yu7 n GLY 4 Ca -0.07 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 2yu7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu7 s SER 5 N -1.34 -0.30 -0.84 1.61 0.01 -1.26 -5.07 113.70 106.50 2yu7 s SER 5 Ca 0.00 0.58 -0.21 0.00 1.31 0.00 0.00 55.95 57.63 2yu7 s SER 5 Cb 0.00 0.53 -0.19 0.00 0.21 0.00 0.00 66.02 66.57 2yu7 s SER 5 CO 0.00 -0.13 2.35 -1.20 0.41 0.00 0.00 173.24 174.67 2yu7 n SER 6 N 3.55 0.92 -2.74 2.44 7.64 -1.26 -4.75 113.62 119.41 2yu7 n SER 6 Ca -0.19 -1.19 -0.26 0.00 1.01 0.00 0.00 58.87 58.24 2yu7 n SER 6 Cb 0.56 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.39 2yu7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu7 n GLY 7 N 6.43 5.63 0.00 0.23 0.00 -1.26 -4.80 105.19 111.42 2yu7 n GLY 7 Ca 0.53 -2.71 0.08 0.00 0.00 0.00 0.00 46.02 43.92 2yu7 n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2yu7 n TRP 8 N -0.33 0.00 -2.33 1.61 4.27 -1.26 -4.41 117.44 114.99 2yu7 n TRP 8 Ca 0.34 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.53 2yu7 n TRP 8 Cb 0.52 -0.45 -0.03 0.00 -1.36 0.00 0.00 31.31 29.99 2yu7 n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2yu7 s TYR 9 N -2.90 3.38 0.00 -2.67 5.04 -1.26 -3.61 117.35 115.33 2yu7 s TYR 9 Ca 0.10 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 2yu7 s TYR 9 Cb 0.11 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.94 2yu7 s TYR 9 CO 0.30 -1.47 0.00 0.72 -1.34 0.00 0.00 175.55 173.77 2yu7 n HIS 10 N 2.90 0.00 0.00 4.97 8.25 -0.93 -4.62 115.22 125.79 2yu7 n HIS 10 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2yu7 n HIS 10 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2yu7 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yu7 n GLY 11 N 2.40 0.67 3.65 -1.41 0.00 -1.25 -5.05 105.19 104.19 2yu7 n GLY 11 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 2yu7 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yu7 s HIS 12 N 0.00 3.02 -0.17 1.61 2.46 -1.26 -0.43 115.29 120.52 2yu7 s HIS 12 Ca 0.00 1.14 -0.28 0.00 0.47 0.00 0.00 55.06 56.39 2yu7 s HIS 12 Cb 0.00 -3.61 0.08 0.00 -0.13 0.00 0.00 32.58 28.91 2yu7 s HIS 12 CO 0.00 -1.11 0.74 1.41 -2.47 0.00 0.00 174.74 173.30 2yu7 s MET 13 N 3.64 0.90 -0.01 2.88 0.00 -1.26 -4.95 119.30 120.50 2yu7 s MET 13 Ca 0.49 0.63 0.05 0.00 0.00 0.00 0.00 55.69 56.86 2yu7 s MET 13 Cb -0.16 0.43 -0.03 0.00 0.00 0.00 0.00 34.83 35.07 2yu7 s MET 13 CO 0.15 -0.20 -0.15 -1.54 0.00 0.00 0.00 175.02 173.29 2yu7 s SER 14 N -0.35 4.01 0.41 1.11 1.04 -1.26 -4.59 113.70 114.07 2yu7 s SER 14 Ca -0.04 -0.28 0.30 0.00 0.48 0.00 0.00 55.95 56.41 2yu7 s SER 14 Cb -0.03 -0.78 1.39 0.00 0.10 0.00 0.00 66.02 66.70 2yu7 s SER 14 CO 0.04 0.30 1.46 0.61 0.98 0.00 0.00 173.24 176.64 2yu7 n GLY 15 N 1.92 -0.78 0.31 7.32 0.00 -1.26 0.15 105.19 112.84 2yu7 n GLY 15 Ca -0.16 0.71 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 2yu7 n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2yu7 h GLY 16 N 0.00 1.14 1.77 -0.02 0.00 -2.00 -1.43 103.07 102.53 2yu7 h GLY 16 Ca 0.82 -0.70 -0.25 0.00 0.00 0.00 0.00 47.33 47.20 2yu7 h GLY 16 CO -0.45 0.65 -1.16 -1.61 0.00 0.00 0.00 176.54 173.98 2yu7 h GLN 17 N 0.99 0.16 0.40 4.80 5.75 0.98 -3.28 115.11 124.92 2yu7 h GLN 17 Ca 0.21 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2yu7 h GLN 17 Cb 0.34 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2yu7 h GLN 17 CO -0.00 1.12 -0.19 0.00 -2.65 0.00 0.00 178.83 177.11 2yu7 h ALA 18 N 0.75 -0.89 -1.18 3.38 0.00 -0.80 -1.57 119.26 118.96 2yu7 h ALA 18 Ca -0.09 -0.12 0.40 0.00 0.00 0.00 0.00 54.91 55.10 2yu7 h ALA 18 Cb 1.89 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.75 2yu7 h ALA 18 CO 0.17 -0.85 0.73 0.93 0.00 0.00 0.00 179.25 180.23 2yu7 h GLU 19 N -0.67 0.14 -0.24 0.00 5.08 -1.43 1.11 114.58 118.57 2yu7 h GLU 19 Ca -0.05 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2yu7 h GLU 19 Cb 0.41 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2yu7 h GLU 19 CO 0.09 0.09 -0.55 1.15 -1.00 0.00 0.00 179.01 178.79 2yu7 h THR 20 N 0.14 1.30 0.28 1.13 2.02 -1.59 -2.27 112.91 113.92 2yu7 h THR 20 Ca 0.79 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2yu7 h THR 20 Cb 2.26 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 2yu7 h THR 20 CO -0.51 0.56 -0.14 -0.07 0.37 0.00 0.00 175.52 175.74 2yu7 h LEU 21 N 0.56 -0.32 -0.62 2.58 3.38 0.22 -0.54 115.31 120.56 2yu7 h LEU 21 Ca 0.01 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2yu7 h LEU 21 Cb 1.13 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2yu7 h LEU 21 CO 0.11 0.16 0.14 -0.07 0.09 0.00 0.00 178.44 178.87 2yu7 h LEU 22 N -0.96 0.01 -1.02 1.67 3.38 -0.80 0.20 115.31 117.78 2yu7 h LEU 22 Ca -0.04 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2yu7 h LEU 22 Cb 0.49 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2yu7 h LEU 22 CO 0.06 0.01 -0.23 1.56 0.09 0.00 0.00 178.44 179.93 2yu7 h GLN 23 N 0.27 0.00 -0.30 1.13 4.20 -1.48 -3.09 115.11 115.84 2yu7 h GLN 23 Ca 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 2yu7 h GLN 23 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2yu7 h GLN 23 CO -0.42 0.23 0.06 0.00 -0.67 0.00 0.00 178.83 178.04 2yu7 h ALA 24 N 1.77 0.39 -0.19 3.87 0.00 0.11 -3.16 119.26 122.05 2yu7 h ALA 24 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2yu7 h ALA 24 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2yu7 h ALA 24 CO 0.03 0.06 0.04 -0.22 0.00 0.00 0.00 179.25 179.16 2yu7 h LYS 25 N 0.31 0.31 0.00 0.00 3.64 -1.34 -3.48 116.57 116.02 2yu7 h LYS 25 Ca 0.09 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2yu7 h LYS 25 Cb 0.31 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2yu7 h LYS 25 CO 0.00 0.46 0.00 0.41 -2.27 0.00 0.00 179.45 178.05 2yu7 n GLY 26 N -0.48 0.73 3.44 5.01 0.00 -1.17 -5.05 105.19 107.66 2yu7 n GLY 26 Ca -0.04 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2yu7 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yu7 s GLU 27 N -1.79 3.31 0.57 1.61 0.41 -1.26 -5.06 118.70 116.49 2yu7 s GLU 27 Ca 0.00 -0.74 -0.18 0.00 -0.41 0.00 0.00 54.97 53.64 2yu7 s GLU 27 Cb 0.00 -3.58 -0.05 0.00 -1.78 0.00 0.00 34.13 28.73 2yu7 s GLU 27 CO 0.00 -0.43 1.12 -1.25 -0.49 0.00 0.00 175.26 174.21 2yu7 s PRO 28 N 1.61 3.23 -1.30 0.39 0.04 -1.26 -3.43 135.00 134.29 2yu7 s PRO 28 Ca 0.04 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2yu7 s PRO 28 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2yu7 s PRO 28 CO 0.06 -0.94 0.10 0.91 0.04 0.00 0.00 177.00 177.18 2yu7 n TRP 29 N -1.55 -0.90 -3.49 0.56 5.03 0.79 -4.76 117.44 113.13 2yu7 n TRP 29 Ca 0.11 0.09 -0.39 0.00 3.03 0.00 0.00 57.50 60.34 2yu7 n TRP 29 Cb 0.51 -3.31 -0.10 0.00 -1.03 0.00 0.00 31.31 27.38 2yu7 n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 2yu7 s THR 30 N -2.83 5.24 0.12 -0.99 2.01 -1.22 -1.64 115.64 116.32 2yu7 s THR 30 Ca 0.05 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.27 2yu7 s THR 30 Cb -0.02 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2yu7 s THR 30 CO 0.06 0.11 0.10 0.72 -0.69 0.00 0.00 174.62 174.92 2yu7 s PHE 31 N 1.89 3.16 -0.13 4.92 -0.71 -0.93 -0.42 117.98 125.77 2yu7 s PHE 31 Ca 0.10 0.03 -0.09 0.00 -1.04 0.00 0.00 56.93 55.93 2yu7 s PHE 31 Cb -0.16 -1.56 0.04 0.00 -1.21 0.00 0.00 43.02 40.13 2yu7 s PHE 31 CO 0.11 0.52 0.32 -0.48 -1.34 0.00 0.00 175.22 174.35 2yu7 s LEU 32 N -2.72 0.43 -0.16 -1.99 0.05 0.12 -1.10 118.68 113.30 2yu7 s LEU 32 Ca 0.30 0.67 -0.15 0.00 0.05 0.00 0.00 54.13 55.00 2yu7 s LEU 32 Cb -0.11 1.04 -0.04 0.00 -2.05 0.00 0.00 46.19 45.03 2yu7 s LEU 32 CO 0.22 -0.15 0.36 -0.69 -0.55 0.00 0.00 176.35 175.54 2yu7 s VAL 33 N 0.85 5.26 0.19 1.48 1.01 -1.24 -1.87 120.40 126.08 2yu7 s VAL 33 Ca -0.06 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2yu7 s VAL 33 Cb -0.06 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2yu7 s VAL 33 CO -0.06 0.34 0.14 0.00 0.00 0.00 0.00 175.10 175.53 2yu7 s ARG 34 N 0.71 1.16 0.19 2.72 1.70 -0.97 -2.20 118.95 122.26 2yu7 s ARG 34 Ca 0.19 -1.54 -0.09 0.00 -0.47 0.00 0.00 55.73 53.82 2yu7 s ARG 34 Cb -0.14 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 2yu7 s ARG 34 CO 0.06 -0.38 0.50 -1.21 -1.08 0.00 0.00 175.30 173.20 2yu7 s GLU 35 N -4.12 3.78 0.77 3.89 2.02 0.43 -0.80 118.70 124.67 2yu7 s GLU 35 Ca 0.33 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.43 2yu7 s GLU 35 Cb 0.06 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.60 2yu7 s GLU 35 CO 0.09 0.39 1.09 0.45 0.02 0.00 0.00 175.26 177.29 2yu7 s SER 36 N -2.25 4.79 -0.13 -0.19 0.15 -0.76 -4.34 113.70 110.96 2yu7 s SER 36 Ca 0.44 1.35 -0.09 0.00 0.70 0.00 0.00 55.95 58.34 2yu7 s SER 36 Cb -0.12 -2.12 -0.06 0.00 -1.71 0.00 0.00 66.02 62.01 2yu7 s SER 36 CO 0.21 -1.79 -0.21 0.18 1.20 0.00 0.00 173.24 172.84 2yu7 n LEU 37 N -3.32 1.32 -0.04 3.45 4.32 -1.26 -4.83 117.00 116.64 2yu7 n LEU 37 Ca 0.07 0.22 -0.06 0.00 -0.02 0.00 0.00 56.01 56.22 2yu7 n LEU 37 Cb 0.56 -0.52 -0.05 0.00 -1.62 0.00 0.00 43.42 41.79 2yu7 n LEU 37 CO 0.56 0.05 0.17 -1.28 -1.22 0.00 0.00 177.39 175.67 2yu7 h SER 38 N -0.59 -0.03 -2.70 -1.43 0.87 -1.99 -3.44 113.55 104.24 2yu7 h SER 38 Ca -0.27 -0.37 -0.54 0.00 -1.23 0.00 0.00 61.79 59.38 2yu7 h SER 38 Cb 1.08 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2yu7 h SER 38 CO -0.16 0.65 1.01 -1.10 -0.53 0.00 0.00 176.83 176.69 2yu7 s GLN 39 N -1.97 4.21 0.63 2.24 -1.52 -1.26 -4.98 119.66 117.00 2yu7 s GLN 39 Ca -0.08 2.19 -0.16 0.00 -1.95 0.00 0.00 55.36 55.36 2yu7 s GLN 39 Cb -0.01 -3.77 -0.02 0.00 -0.22 0.00 0.00 33.01 28.99 2yu7 s GLN 39 CO 0.28 -0.75 1.12 -1.25 -0.25 0.00 0.00 175.29 174.43 2yu7 s PRO 40 N 3.24 2.94 -1.22 2.91 0.04 -1.26 -3.58 135.00 138.08 2yu7 s PRO 40 Ca 0.72 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 2yu7 s PRO 40 Cb -0.35 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.31 2yu7 s PRO 40 CO 0.30 -1.15 0.21 0.41 0.04 0.00 0.00 177.00 176.81 2yu7 n GLY 41 N -0.34 -0.18 3.39 0.56 0.00 -1.26 -4.88 105.19 102.48 2yu7 n GLY 41 Ca 0.11 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 2yu7 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yu7 s ASP 42 N -3.31 2.05 0.29 1.61 -1.08 -1.23 -4.57 116.67 110.42 2yu7 s ASP 42 Ca 0.29 -1.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.02 2yu7 s ASP 42 Cb -0.17 -0.02 -0.05 0.00 -1.46 0.00 0.00 42.92 41.22 2yu7 s ASP 42 CO 0.72 -0.59 0.09 -0.36 0.52 0.00 0.00 175.17 175.55 2yu7 s PHE 43 N -3.39 1.72 -0.05 -5.34 0.08 -1.00 -1.83 117.98 108.17 2yu7 s PHE 43 Ca 0.34 -1.11 -0.00 0.00 0.12 0.00 0.00 56.93 56.29 2yu7 s PHE 43 Cb 0.07 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2yu7 s PHE 43 CO 0.13 -0.21 -0.01 0.08 -0.10 0.00 0.00 175.22 175.12 2yu7 s VAL 44 N -3.55 0.31 -0.45 -0.44 1.01 0.02 -0.68 120.40 116.62 2yu7 s VAL 44 Ca 0.37 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 2yu7 s VAL 44 Cb 0.08 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2yu7 s VAL 44 CO 0.15 0.20 0.41 -0.22 0.00 0.00 0.00 175.10 175.64 2yu7 s LEU 45 N 1.38 5.24 -0.12 3.92 1.98 -0.35 -2.29 118.68 128.44 2yu7 s LEU 45 Ca -0.04 -1.02 -0.08 0.00 -2.89 0.00 0.00 54.13 50.10 2yu7 s LEU 45 Cb -0.13 -2.25 -0.04 0.00 0.66 0.00 0.00 46.19 44.42 2yu7 s LEU 45 CO -0.02 -0.61 0.17 -0.55 -1.89 0.00 0.00 176.35 173.44 2yu7 s SER 46 N 2.19 6.41 -0.08 3.68 0.15 -0.78 -0.32 113.70 124.96 2yu7 s SER 46 Ca 0.07 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.16 2yu7 s SER 46 Cb -0.21 -2.09 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 2yu7 s SER 46 CO 0.10 0.37 0.19 -0.69 1.20 0.00 0.00 173.24 174.41 2yu7 s VAL 47 N -0.86 -0.02 -0.17 4.45 1.01 -0.88 0.11 120.40 124.03 2yu7 s VAL 47 Ca 0.15 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 2yu7 s VAL 47 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2yu7 s VAL 47 CO 0.04 0.03 0.73 -0.22 0.00 0.00 0.00 175.10 175.69 2yu7 s LEU 48 N 0.64 4.17 0.39 3.92 2.96 0.44 -1.10 118.68 130.10 2yu7 s LEU 48 Ca -0.04 1.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 2yu7 s LEU 48 Cb -0.06 -3.07 -0.09 0.00 0.50 0.00 0.00 46.19 43.46 2yu7 s LEU 48 CO -0.03 -0.32 0.85 -0.94 -1.32 0.00 0.00 176.35 174.58 2yu7 s SER 49 N 1.15 6.80 0.00 3.68 1.04 0.11 -0.15 113.70 126.33 2yu7 s SER 49 Ca 0.34 1.46 0.13 0.00 0.48 0.00 0.00 55.95 58.36 2yu7 s SER 49 Cb -0.16 -2.45 0.78 0.00 0.10 0.00 0.00 66.02 64.28 2yu7 s SER 49 CO 0.12 -0.32 1.31 -0.90 0.98 0.00 0.00 173.24 174.42 2yu7 n ASP 50 N -0.68 0.00 -4.48 7.02 5.75 -1.26 -4.23 116.55 118.67 2yu7 n ASP 50 Ca 0.05 -1.06 -0.39 0.00 -0.01 0.00 0.00 54.79 53.38 2yu7 n ASP 50 Cb 0.54 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 2yu7 n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2yu7 s GLN 51 N -2.00 3.39 0.68 0.11 -0.21 -1.26 -5.04 119.66 115.33 2yu7 s GLN 51 Ca 0.19 -0.70 -0.14 0.00 0.02 0.00 0.00 55.36 54.73 2yu7 s GLN 51 Cb 0.09 -3.69 0.01 0.00 1.00 0.00 0.00 33.01 30.42 2yu7 s GLN 51 CO 0.15 -0.44 1.11 -1.25 -2.12 0.00 0.00 175.29 172.73 2yu7 s PRO 52 N 1.66 2.68 0.18 2.91 0.04 -1.26 -2.42 135.00 138.79 2yu7 s PRO 52 Ca 0.05 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.38 2yu7 s PRO 52 Cb -0.17 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2yu7 s PRO 52 CO 0.08 -1.33 1.54 0.87 0.04 0.00 0.00 177.00 178.19 2yu7 h LYS 53 N -0.21 0.77 0.00 4.56 1.57 -1.80 -3.41 116.57 118.05 2yu7 h LYS 53 Ca -0.46 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.93 2yu7 h LYS 53 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2yu7 h LYS 53 CO 0.53 1.02 -0.71 0.00 -0.57 0.00 0.00 179.45 179.72 2yu7 n ALA 54 N -2.52 3.00 0.00 3.86 0.00 -1.26 -5.10 120.51 118.49 2yu7 n ALA 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2yu7 n ALA 54 Cb 0.53 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.38 2yu7 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu7 n GLY 55 N 2.94 -0.75 3.57 0.00 0.00 -1.26 -5.04 105.19 104.65 2yu7 n GLY 55 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2yu7 n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu7 s PRO 56 N -1.10 2.96 0.00 1.61 0.04 -1.26 -2.28 135.00 134.97 2yu7 s PRO 56 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2yu7 s PRO 56 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2yu7 s PRO 56 CO 0.00 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.13 2yu7 n GLY 57 N 5.54 1.56 3.92 0.56 0.00 -1.26 -5.12 105.19 110.40 2yu7 n GLY 57 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2yu7 n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu7 s SER 58 N -1.98 6.40 0.16 1.61 1.04 -0.97 -5.07 113.70 114.90 2yu7 s SER 58 Ca 0.00 0.39 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 2yu7 s SER 58 Cb 0.00 -2.01 -0.08 0.00 0.10 0.00 0.00 66.02 64.03 2yu7 s SER 58 CO 0.00 0.04 1.33 -2.16 0.98 0.00 0.00 173.24 173.43 2yu7 s PRO 59 N -2.94 4.37 0.59 4.02 0.04 -1.26 -4.65 135.00 135.17 2yu7 s PRO 59 Ca 0.38 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.26 2yu7 s PRO 59 Cb -0.12 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2yu7 s PRO 59 CO 0.28 -0.31 1.31 -0.51 0.04 0.00 0.00 177.00 177.81 2yu7 s LEU 60 N 0.34 3.72 0.46 -3.56 2.01 -1.26 -3.03 118.68 117.35 2yu7 s LEU 60 Ca 0.59 2.66 -0.23 0.00 0.01 0.00 0.00 54.13 57.17 2yu7 s LEU 60 Cb -0.36 -4.45 -0.08 0.00 0.01 0.00 0.00 46.19 41.32 2yu7 s LEU 60 CO 0.35 -1.74 1.12 -0.60 1.01 0.00 0.00 176.35 176.49 2yu7 s ARG 61 N -3.14 3.82 0.17 1.70 6.06 -1.02 -4.79 118.95 121.76 2yu7 s ARG 61 Ca 0.77 1.65 0.06 0.00 -2.50 0.00 0.00 55.73 55.70 2yu7 s ARG 61 Cb -0.38 -2.37 -0.04 0.00 0.06 0.00 0.00 34.95 32.22 2yu7 s ARG 61 CO 0.43 -0.47 0.10 0.08 -2.50 0.00 0.00 175.30 172.94 2yu7 s VAL 62 N -1.64 4.25 -0.20 7.11 1.01 -1.26 -0.72 120.40 128.95 2yu7 s VAL 62 Ca 0.63 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2yu7 s VAL 62 Cb -0.25 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.02 2yu7 s VAL 62 CO 0.31 -0.12 -0.02 -0.89 0.00 0.00 0.00 175.10 174.38 2yu7 s THR 63 N -1.76 1.01 -0.56 3.92 2.01 -0.26 -4.94 115.64 115.06 2yu7 s THR 63 Ca 0.30 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 2yu7 s THR 63 Cb -0.10 -1.34 0.08 0.00 0.01 0.00 0.00 72.50 71.15 2yu7 s THR 63 CO 0.22 -0.08 0.70 -1.00 -0.69 0.00 0.00 174.62 173.77 2yu7 s HIS 64 N 1.65 2.99 -0.45 4.92 3.76 -1.26 -2.08 115.29 124.81 2yu7 s HIS 64 Ca -0.02 -0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 54.04 2yu7 s HIS 64 Cb -0.17 -3.82 0.06 0.00 1.11 0.00 0.00 32.58 29.75 2yu7 s HIS 64 CO -0.07 -1.21 0.36 0.42 -0.85 0.00 0.00 174.74 173.40 2yu7 s ILE 65 N 2.82 5.22 0.18 0.60 1.01 0.57 -4.90 121.20 126.70 2yu7 s ILE 65 Ca 0.15 -0.95 -0.32 0.00 0.00 0.00 0.00 60.65 59.53 2yu7 s ILE 65 Cb -0.21 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.05 2yu7 s ILE 65 CO 0.10 -0.49 1.14 0.29 0.00 0.00 0.00 174.94 175.98 2yu7 n LYS 66 N 5.18 1.17 -3.86 2.79 5.02 -1.26 -1.22 118.16 125.99 2yu7 n LYS 66 Ca -0.12 0.42 -0.36 0.00 -2.02 0.00 0.00 58.31 56.23 2yu7 n LYS 66 Cb 0.45 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.43 2yu7 n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yu7 s VAL 67 N -0.27 3.21 0.15 -0.18 1.01 0.15 -4.71 120.40 119.75 2yu7 s VAL 67 Ca 0.72 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2yu7 s VAL 67 Cb -0.84 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2yu7 s VAL 67 CO 0.53 -0.20 1.00 -0.04 0.00 0.00 0.00 175.10 176.39 2yu7 s MET 68 N 1.27 4.69 -0.18 2.72 -1.94 0.79 -2.37 119.30 124.28 2yu7 s MET 68 Ca -0.03 1.54 0.01 0.00 -1.71 0.00 0.00 55.69 55.50 2yu7 s MET 68 Cb -0.20 -3.34 0.03 0.00 2.01 0.00 0.00 34.83 33.33 2yu7 s MET 68 CO -0.01 0.21 -0.15 0.00 -0.01 0.00 0.00 175.02 175.06 2yu7 s GLU 70 N 1.39 0.36 -1.21 0.00 0.41 -0.99 -4.92 118.70 113.73 2yu7 s GLU 70 Ca 0.03 -0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.21 2yu7 s GLU 70 Cb -0.14 0.16 0.03 0.00 -1.78 0.00 0.00 34.13 32.39 2yu7 s GLU 70 CO -0.10 -0.07 0.69 0.41 -0.49 0.00 0.00 175.26 175.70 2yu7 n GLY 71 N 2.19 -0.85 4.24 -1.39 0.00 -1.26 -0.49 105.19 107.62 2yu7 n GLY 71 Ca -0.18 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2yu7 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu7 n GLY 72 N -1.99 -0.36 3.39 -0.02 0.00 -1.26 -4.92 105.19 100.03 2yu7 n GLY 72 Ca -0.11 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2yu7 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yu7 s ARG 73 N -6.96 1.81 0.03 1.61 0.52 0.36 -4.72 118.95 111.60 2yu7 s ARG 73 Ca 0.53 -1.87 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 2yu7 s ARG 73 Cb -0.29 0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 2yu7 s ARG 73 CO 0.95 -0.71 -0.07 0.71 0.02 0.00 0.00 175.30 176.20 2yu7 s TYR 74 N -3.27 0.58 0.17 -0.53 2.02 -1.10 -2.36 117.35 112.85 2yu7 s TYR 74 Ca 0.35 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 2yu7 s TYR 74 Cb 0.01 -0.36 0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2yu7 s TYR 74 CO 0.23 -0.06 0.49 -0.08 -1.57 0.00 0.00 175.55 174.57 2yu7 s THR 75 N -0.93 0.04 -0.20 -0.71 -1.32 0.54 -0.96 115.64 112.09 2yu7 s THR 75 Ca -0.06 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.79 2yu7 s THR 75 Cb -0.07 -1.36 0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2yu7 s THR 75 CO 0.00 -0.16 0.30 0.68 -2.21 0.00 0.00 174.62 173.23 2yu7 s VAL 76 N -3.83 -0.47 0.00 5.08 -7.23 -1.26 -0.15 120.40 112.54 2yu7 s VAL 76 Ca 0.06 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2yu7 s VAL 76 Cb -0.00 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2yu7 s VAL 76 CO -0.07 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2yu7 n GLY 77 N 5.35 1.15 1.53 2.32 0.00 -1.26 -4.85 105.19 109.42 2yu7 n GLY 77 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2yu7 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu7 n GLY 78 N 0.00 1.11 0.11 -0.02 0.00 -1.26 -5.02 105.19 100.10 2yu7 n GLY 78 Ca 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.08 2yu7 n GLY 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2yu7 n LEU 79 N 0.00 0.80 -4.50 0.99 -0.00 -1.26 -4.88 117.00 108.15 2yu7 n LEU 79 Ca 0.06 0.32 -0.41 0.00 -0.00 0.00 0.00 56.01 55.98 2yu7 n LEU 79 Cb 0.23 -0.04 -0.14 0.00 -0.00 0.00 0.00 43.42 43.48 2yu7 n LEU 79 CO 0.16 -0.14 2.20 -0.62 -0.00 0.00 0.00 177.39 178.99 2yu7 n GLU 80 N -2.68 0.12 -3.32 1.47 1.02 -1.26 -4.84 120.64 111.15 2yu7 n GLU 80 Ca -0.02 -0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.67 2yu7 n GLU 80 Cb 0.59 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2yu7 s THR 81 N 9.34 5.19 0.77 2.62 -4.23 -1.26 -4.29 115.64 123.77 2yu7 s THR 81 Ca 1.32 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2yu7 s THR 81 Cb -1.14 -4.29 0.05 0.00 1.34 0.00 0.00 72.50 68.46 2yu7 s THR 81 CO 0.47 -0.81 1.10 -0.36 -0.54 0.00 0.00 174.62 174.48 2yu7 s PHE 82 N 1.70 2.53 0.32 3.99 0.40 -0.14 -4.74 117.98 122.04 2yu7 s PHE 82 Ca 0.04 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 2yu7 s PHE 82 Cb -0.28 -3.08 0.53 0.00 0.51 0.00 0.00 43.02 40.70 2yu7 s PHE 82 CO 0.04 -1.85 1.96 -0.44 0.70 0.00 0.00 175.22 175.64 2yu7 h ASP 83 N -1.02 0.80 -5.12 1.36 5.19 -1.89 -2.92 116.42 112.81 2yu7 h ASP 83 Ca -0.44 -0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.03 2yu7 h ASP 83 Cb 1.24 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.48 2yu7 h ASP 83 CO 0.51 0.62 0.34 -0.55 -3.12 0.00 0.00 179.24 177.04 2yu7 s SER 84 N -6.45 -0.25 0.34 6.45 0.15 -1.26 -4.57 113.70 108.12 2yu7 s SER 84 Ca -0.10 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.13 2yu7 s SER 84 Cb 0.17 0.62 0.74 0.00 -1.71 0.00 0.00 66.02 65.84 2yu7 s SER 84 CO 0.78 -1.13 1.90 -0.07 1.20 0.00 0.00 173.24 175.91 2yu7 h LEU 85 N 2.00 0.71 -1.83 3.45 3.38 -1.94 0.52 115.31 121.60 2yu7 h LEU 85 Ca -0.22 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2yu7 h LEU 85 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2yu7 h LEU 85 CO 0.25 0.41 0.20 0.74 0.09 0.00 0.00 178.44 180.13 2yu7 h THR 86 N 0.78 0.97 0.03 0.22 2.02 -1.98 0.12 112.91 115.06 2yu7 h THR 86 Ca 0.41 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 67.32 2yu7 h THR 86 Cb 0.50 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2yu7 h THR 86 CO -0.17 0.04 -0.98 -0.78 0.37 0.00 0.00 175.52 174.00 2yu7 h ASP 87 N 0.22 0.10 -0.50 4.18 3.58 -1.38 -2.30 116.42 120.32 2yu7 h ASP 87 Ca 0.13 -0.73 0.06 0.00 0.42 0.00 0.00 57.03 56.91 2yu7 h ASP 87 Cb 0.23 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2yu7 h ASP 87 CO -0.02 1.40 0.34 0.25 -2.88 0.00 0.00 179.24 178.32 2yu7 h LEU 88 N -0.82 0.39 0.00 2.28 6.46 -0.86 -1.40 115.31 121.36 2yu7 h LEU 88 Ca -0.25 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.45 2yu7 h LEU 88 Cb 1.35 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 2yu7 h LEU 88 CO -0.09 0.25 -0.35 0.58 -0.62 0.00 0.00 178.44 178.22 2yu7 h VAL 89 N 0.44 1.32 -0.57 1.05 2.07 -0.91 -3.32 116.25 116.34 2yu7 h VAL 89 Ca 0.22 -2.12 0.11 0.00 0.82 0.00 0.00 66.70 65.73 2yu7 h VAL 89 Cb 0.30 2.63 -0.11 0.00 -1.52 0.00 0.00 31.29 32.59 2yu7 h VAL 89 CO -0.06 0.45 -0.19 -0.33 0.02 0.00 0.00 177.57 177.46 2yu7 h GLU 90 N -1.00 -0.05 -0.96 1.57 4.39 -1.22 0.35 114.58 117.66 2yu7 h GLU 90 Ca -0.09 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.82 2yu7 h GLU 90 Cb 0.96 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 2yu7 h GLU 90 CO -0.06 -0.03 0.61 1.25 -1.16 0.00 0.00 179.01 179.63 2yu7 h HIS 91 N -0.05 0.75 0.00 4.33 2.76 -1.42 0.19 115.15 121.71 2yu7 h HIS 91 Ca 0.27 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.27 2yu7 h HIS 91 Cb 0.46 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2yu7 h HIS 91 CO -0.51 0.18 -0.94 0.74 -1.30 0.00 0.00 177.93 176.09 2yu7 h PHE 92 N 0.54 0.00 -0.09 5.26 0.04 -0.60 -2.36 116.94 119.73 2yu7 h PHE 92 Ca 0.52 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.32 2yu7 h PHE 92 Cb 1.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 2yu7 h PHE 92 CO -0.00 0.88 0.11 0.87 -0.60 0.00 0.00 178.31 179.56 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 0.27 1.86 116.57 121.78 2yu7 h LYS 93 Ca -0.03 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.34 2yu7 h LYS 93 Cb 1.69 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.94 2yu7 h LYS 93 CO 0.11 0.00 -2.39 0.36 -0.57 0.00 0.00 179.45 176.96 2yu7 n LYS 94 N -3.80 0.55 -0.06 3.15 2.85 -1.08 -4.60 118.16 115.16 2yu7 n LYS 94 Ca -0.01 0.21 -0.19 0.00 -1.05 0.00 0.00 58.31 57.28 2yu7 n LYS 94 Cb 0.21 -1.41 -0.13 0.00 -0.65 0.00 0.00 35.03 33.05 2yu7 n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2yu7 h THR 95 N -0.69 1.30 0.00 0.58 1.35 -1.30 -3.51 112.91 110.64 2yu7 h THR 95 Ca -0.61 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 2yu7 h THR 95 Cb 1.62 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.86 2yu7 h THR 95 CO -0.32 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2yu7 n GLY 96 N 1.58 1.47 3.37 5.82 0.00 0.63 -4.99 105.19 113.07 2yu7 n GLY 96 Ca -0.21 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 2yu7 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yu7 s ILE 97 N -1.92 3.56 -0.27 -0.61 1.01 -0.09 -4.74 121.20 118.14 2yu7 s ILE 97 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 2yu7 s ILE 97 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2yu7 s ILE 97 CO 0.00 0.44 0.36 -0.70 0.00 0.00 0.00 174.94 175.04 2yu7 s GLU 98 N 1.17 4.02 0.32 2.79 2.12 -1.26 -0.03 118.70 127.83 2yu7 s GLU 98 Ca 0.02 0.02 -0.27 0.00 0.36 0.00 0.00 54.97 55.11 2yu7 s GLU 98 Cb -0.14 -3.65 -0.09 0.00 0.26 0.00 0.00 34.13 30.50 2yu7 s GLU 98 CO -0.00 -0.26 1.05 -1.21 -0.54 0.00 0.00 175.26 174.30 2yu7 s GLU 99 N 2.01 4.48 0.50 4.30 2.02 0.19 -4.90 118.70 127.30 2yu7 s GLU 99 Ca 0.15 1.63 0.38 0.00 0.02 0.00 0.00 54.97 57.14 2yu7 s GLU 99 Cb -0.16 -2.93 1.54 0.00 0.10 0.00 0.00 34.13 32.69 2yu7 s GLU 99 CO 0.10 0.12 1.65 0.00 0.02 0.00 0.00 175.26 177.15 2yu7 h ALA 100 N 3.31 3.18 -0.17 5.21 0.00 -1.97 0.76 119.26 129.58 2yu7 h ALA 100 Ca -0.47 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2yu7 h ALA 100 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2yu7 h ALA 100 CO 0.65 -1.72 -0.36 1.03 0.00 0.00 0.00 179.25 178.85 2yu7 h SER 101 N 0.06 0.62 0.00 0.00 0.87 -2.04 -3.47 113.55 109.58 2yu7 h SER 101 Ca 0.80 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2yu7 h SER 101 Cb 2.87 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 64.65 2yu7 h SER 101 CO -0.19 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 2yu7 n GLY 102 N 0.43 0.80 3.32 5.77 0.00 0.26 -5.14 105.19 110.64 2yu7 n GLY 102 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2yu7 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu7 n ALA 103 N 0.00 -3.27 -3.73 4.61 0.00 -1.25 -4.54 120.51 112.33 2yu7 n ALA 103 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2yu7 n ALA 103 Cb 0.00 -1.65 -0.16 0.00 0.00 0.00 0.00 19.45 17.65 2yu7 n ALA 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yu7 s PHE 104 N -2.30 1.34 0.14 0.00 0.40 -1.26 -0.64 117.98 115.66 2yu7 s PHE 104 Ca 0.53 -1.31 -0.25 0.00 -0.60 0.00 0.00 56.93 55.29 2yu7 s PHE 104 Cb -0.21 -1.36 -0.07 0.00 0.51 0.00 0.00 43.02 41.89 2yu7 s PHE 104 CO 0.71 -0.76 0.78 0.08 0.70 0.00 0.00 175.22 176.73 2yu7 s VAL 105 N 1.75 4.44 -0.08 -0.44 1.01 0.96 -4.88 120.40 123.15 2yu7 s VAL 105 Ca 0.05 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.77 2yu7 s VAL 105 Cb -0.17 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2yu7 s VAL 105 CO -0.19 0.48 -0.18 -0.31 0.00 0.00 0.00 175.10 174.90 2yu7 s TYR 106 N -0.87 2.02 -0.34 5.22 2.02 -1.26 -0.91 117.35 123.22 2yu7 s TYR 106 Ca 0.37 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2yu7 s TYR 106 Cb -0.23 -1.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2yu7 s TYR 106 CO 0.26 -0.36 0.11 -0.51 -1.57 0.00 0.00 175.55 173.48 2yu7 s LEU 107 N 0.52 4.38 0.00 -1.29 1.02 -1.26 -4.34 118.68 117.72 2yu7 s LEU 107 Ca -0.16 -1.19 0.00 0.00 0.02 0.00 0.00 54.13 52.79 2yu7 s LEU 107 Cb -0.17 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.17 2yu7 s LEU 107 CO 0.06 -0.34 0.00 0.54 0.02 0.00 0.00 176.35 176.63 2yu7 n ARG 108 N 4.80 2.63 -3.50 1.70 1.74 -0.65 -4.39 116.66 118.99 2yu7 n ARG 108 Ca -0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 2yu7 n ARG 108 Cb 0.44 -0.83 -0.08 0.00 -1.02 0.00 0.00 32.46 30.97 2yu7 n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2yu7 s GLN 109 N -1.65 2.63 -0.87 5.56 -0.21 -1.05 -5.02 119.66 119.05 2yu7 s GLN 109 Ca 0.00 -1.69 -0.25 0.00 0.02 0.00 0.00 55.36 53.45 2yu7 s GLN 109 Cb 0.00 -4.00 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 2yu7 s GLN 109 CO 0.00 -1.18 1.94 -1.25 -2.12 0.00 0.00 175.29 172.68 2yu7 s PRO 110 N 1.44 2.55 -0.23 2.91 0.04 -1.26 -2.18 135.00 138.28 2yu7 s PRO 110 Ca 0.05 -0.19 -0.37 0.00 0.04 0.00 0.00 61.00 60.53 2yu7 s PRO 110 Cb -0.26 -4.99 -0.14 0.00 0.04 0.00 0.00 34.50 29.15 2yu7 s PRO 110 CO 0.01 -3.32 1.86 0.98 0.04 0.00 0.00 177.00 176.57 2yu7 n TYR 111 N 13.89 2.10 -3.56 0.56 9.36 -0.26 -4.72 117.16 134.52 2yu7 n TYR 111 Ca 0.38 0.31 -0.22 0.00 3.32 0.00 0.00 57.90 61.69 2yu7 n TYR 111 Cb 0.47 -2.54 -0.01 0.00 -0.63 0.00 0.00 39.34 36.63 2yu7 n TYR 111 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2yu7 s TYR 112 N 4.27 3.39 1.00 2.98 1.51 -1.26 -4.44 117.35 124.79 2yu7 s TYR 112 Ca 0.98 0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.03 2yu7 s TYR 112 Cb -0.91 -1.84 0.19 0.00 -0.11 0.00 0.00 41.96 39.28 2yu7 s TYR 112 CO 0.59 0.16 1.09 0.45 -1.11 0.00 0.00 175.55 176.73 2yu7 s SER 113 N -4.06 2.63 0.25 2.29 0.15 -1.26 -5.06 113.70 108.64 2yu7 s SER 113 Ca 0.40 1.22 0.07 0.00 0.70 0.00 0.00 55.95 58.34 2yu7 s SER 113 Cb -0.09 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2yu7 s SER 113 CO 0.33 -3.13 0.15 -0.83 1.20 0.00 0.00 173.24 170.96 2yu7 s GLY 114 N -3.43 1.48 0.33 9.45 0.00 -1.26 -5.03 107.32 108.87 2yu7 s GLY 114 Ca 0.65 -1.44 0.13 0.00 0.00 0.00 0.00 44.72 44.05 2yu7 s GLY 114 CO 0.58 -1.49 1.73 -0.56 0.00 0.00 0.00 173.10 173.37 2yu7 h PRO 115 N 1.66 0.00 -2.04 2.90 0.13 -1.99 -3.46 132.00 129.21 2yu7 h PRO 115 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2yu7 h PRO 115 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2yu7 h PRO 115 CO 0.61 0.47 0.27 0.45 -0.23 0.00 0.00 178.00 179.57 2yu7 s SER 116 N -6.84 -0.58 0.49 1.44 0.15 -1.26 -5.16 113.70 101.94 2yu7 s SER 116 Ca -0.02 0.55 -0.20 0.00 0.70 0.00 0.00 55.95 56.98 2yu7 s SER 116 Cb 0.13 0.49 -0.08 0.00 -1.71 0.00 0.00 66.02 64.86 2yu7 s SER 116 CO 0.74 -0.60 1.06 -0.44 1.20 0.00 0.00 173.24 175.19 2yu7 s SER 117 N -1.41 6.24 0.00 5.45 0.01 -1.26 -5.25 113.70 117.48 2yu7 s SER 117 Ca -0.07 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2yu7 s SER 117 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2yu7 s SER 117 CO 0.05 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.45