#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 6.77 1.04 1.61 0.01 -1.26 -4.97 113.70 116.90 2yu7 s SER 2 Ca 0.00 2.08 -0.23 0.00 1.31 0.00 0.00 55.95 59.11 2yu7 s SER 2 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2yu7 s SER 2 CO 0.00 -0.84 -0.91 -1.54 0.41 0.00 0.00 173.24 170.36 2yu7 n SER 3 N 6.61 -3.04 -4.88 2.44 3.41 -1.26 -5.00 113.62 111.91 2yu7 n SER 3 Ca 0.16 -0.01 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 2yu7 n SER 3 Cb 0.43 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2yu7 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yu7 s GLY 4 N -1.32 2.28 0.48 5.00 0.00 -1.26 -5.14 107.32 107.36 2yu7 s GLY 4 Ca 0.44 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.61 2yu7 s GLY 4 CO 0.68 -1.86 0.67 -0.45 0.00 0.00 0.00 173.10 172.14 2yu7 s SER 5 N -4.20 5.53 0.40 1.64 0.15 -1.26 -5.04 113.70 110.92 2yu7 s SER 5 Ca 0.40 -0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2yu7 s SER 5 Cb -0.02 -0.93 -0.12 0.00 -1.71 0.00 0.00 66.02 63.24 2yu7 s SER 5 CO 0.24 -0.90 0.76 -1.20 1.20 0.00 0.00 173.24 173.33 2yu7 n SER 6 N -2.10 0.09 0.00 5.45 7.64 -1.26 -4.89 113.62 118.55 2yu7 n SER 6 Ca 0.06 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2yu7 n SER 6 Cb 0.59 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.52 0.02 1.40 0.23 0.00 -1.26 -4.86 105.19 102.23 2yu7 n GLY 7 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.09 1.59 -3.80 1.61 4.27 -1.26 -4.33 117.44 114.43 2yu7 n TRP 8 Ca 0.00 -1.28 -0.33 0.00 -3.89 0.00 0.00 57.50 51.99 2yu7 n TRP 8 Cb 0.00 -0.53 -0.05 0.00 -1.36 0.00 0.00 31.31 29.37 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 -3.05 3.55 -0.28 -2.67 5.04 -1.26 -1.36 117.35 117.32 2yu7 s TYR 9 Ca 0.48 0.48 0.16 0.00 -2.44 0.00 0.00 57.07 55.75 2yu7 s TYR 9 Cb 0.40 -1.93 0.48 0.00 0.35 0.00 0.00 41.96 41.27 2yu7 s TYR 9 CO 0.07 0.59 1.13 0.72 -1.34 0.00 0.00 175.55 176.73 2yu7 n HIS 10 N 0.83 1.93 0.00 4.97 8.25 0.05 -4.74 115.22 126.50 2yu7 n HIS 10 Ca -0.09 -2.25 0.00 0.00 -0.26 0.00 0.00 57.72 55.11 2yu7 n HIS 10 Cb 0.52 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.60 0.42 3.41 -1.41 0.00 -1.26 -4.08 105.19 101.66 2yu7 n GLY 11 Ca 0.23 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 2.51 -0.26 1.61 2.46 -1.26 -2.48 115.29 117.87 2yu7 s HIS 12 Ca 0.00 -0.30 -0.27 0.00 0.47 0.00 0.00 55.06 54.96 2yu7 s HIS 12 Cb 0.00 -1.50 0.16 0.00 -0.13 0.00 0.00 32.58 31.11 2yu7 s HIS 12 CO 0.00 0.15 1.22 1.41 -2.47 0.00 0.00 174.74 175.06 2yu7 s MET 13 N -1.06 0.29 0.17 2.88 0.00 -1.26 -4.85 119.30 115.48 2yu7 s MET 13 Ca 0.12 0.22 0.04 0.00 0.00 0.00 0.00 55.69 56.07 2yu7 s MET 13 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 34.83 34.83 2yu7 s MET 13 CO 0.02 -0.06 0.21 -1.54 0.00 0.00 0.00 175.02 173.65 2yu7 s SER 14 N -0.38 5.87 0.59 1.11 1.04 -1.26 -4.36 113.70 116.32 2yu7 s SER 14 Ca 0.05 -0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.75 2yu7 s SER 14 Cb -0.03 -1.64 1.44 0.00 0.10 0.00 0.00 66.02 65.89 2yu7 s SER 14 CO -0.08 0.04 1.85 1.23 0.98 0.00 0.00 173.24 177.27 2yu7 h GLY 15 N 2.14 0.00 2.00 7.32 0.00 -2.00 0.37 103.07 112.90 2yu7 h GLY 15 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2yu7 h GLY 15 CO 0.65 0.00 -0.52 -1.33 0.00 0.00 0.00 176.54 175.34 2yu7 h GLY 16 N 0.00 0.00 1.27 4.60 0.00 -2.00 -2.68 103.07 104.26 2yu7 h GLY 16 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.26 2yu7 h GLY 16 CO -0.00 0.00 -1.50 -1.61 0.00 0.00 0.00 176.54 173.43 2yu7 h GLN 17 N 0.00 0.36 0.22 4.80 4.15 -0.66 -3.30 115.11 120.68 2yu7 h GLN 17 Ca -0.01 -0.61 -0.01 0.00 0.77 0.00 0.00 58.65 58.79 2yu7 h GLN 17 Cb 1.12 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.04 2yu7 h GLN 17 CO 0.07 1.26 -0.11 0.00 -1.93 0.00 0.00 178.83 178.12 2yu7 h ALA 18 N 0.35 -0.72 -1.69 3.38 0.00 -1.45 0.16 119.26 119.29 2yu7 h ALA 18 Ca -0.24 -0.06 0.53 0.00 0.00 0.00 0.00 54.91 55.13 2yu7 h ALA 18 Cb 2.06 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 2yu7 h ALA 18 CO 0.20 -0.69 1.16 0.93 0.00 0.00 0.00 179.25 180.85 2yu7 h GLU 19 N -0.42 0.00 0.15 0.00 5.08 -1.67 0.89 114.58 118.61 2yu7 h GLU 19 Ca -0.03 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 2yu7 h GLU 19 Cb 0.23 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2yu7 h GLU 19 CO 0.05 0.00 -1.21 1.15 -1.00 0.00 0.00 179.01 178.01 2yu7 h THR 20 N 0.00 1.25 0.20 1.13 2.02 -1.62 -3.18 112.91 112.71 2yu7 h THR 20 Ca 0.92 -2.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 2yu7 h THR 20 Cb 3.33 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 72.69 2yu7 h THR 20 CO -0.24 0.73 -0.09 -0.07 0.37 0.00 0.00 175.52 176.22 2yu7 h LEU 21 N -0.25 -0.22 -0.82 2.58 3.38 0.37 -1.08 115.31 119.27 2yu7 h LEU 21 Ca -0.24 0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.91 2yu7 h LEU 21 Cb 1.79 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 42.44 2yu7 h LEU 21 CO 0.13 -0.15 -0.20 -0.07 0.09 0.00 0.00 178.44 178.25 2yu7 h LEU 22 N -0.29 -0.75 -2.00 1.67 4.07 -1.19 1.16 115.31 117.99 2yu7 h LEU 22 Ca -0.03 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2yu7 h LEU 22 Cb 0.20 0.50 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 2yu7 h LEU 22 CO 0.04 -0.27 0.00 1.56 -1.08 0.00 0.00 178.44 178.70 2yu7 h GLN 23 N 0.00 0.00 -0.20 1.13 4.20 -1.56 -2.29 115.11 116.39 2yu7 h GLN 23 Ca 0.40 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 2yu7 h GLN 23 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2yu7 h GLN 23 CO -0.84 0.00 0.05 0.00 -0.67 0.00 0.00 178.83 177.37 2yu7 h ALA 24 N 2.00 0.26 -0.29 3.87 0.00 0.27 -3.13 119.26 122.24 2yu7 h ALA 24 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2yu7 h ALA 24 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2yu7 h ALA 24 CO -0.00 -0.10 0.15 -0.22 0.00 0.00 0.00 179.25 179.09 2yu7 h LYS 25 N 0.13 0.40 0.00 0.00 3.64 -0.88 -3.47 116.57 116.40 2yu7 h LYS 25 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2yu7 h LYS 25 Cb 0.26 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2yu7 h LYS 25 CO 0.00 0.35 0.00 0.41 -2.27 0.00 0.00 179.45 177.94 2yu7 n GLY 26 N -0.94 0.65 3.52 5.01 0.00 -0.98 -4.98 105.19 107.47 2yu7 n GLY 26 Ca -0.02 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.75 3.70 0.54 1.61 0.41 -1.26 -5.08 118.70 116.87 2yu7 s GLU 27 Ca 0.00 -0.48 -0.20 0.00 -0.41 0.00 0.00 54.97 53.88 2yu7 s GLU 27 Cb 0.00 -3.59 -0.06 0.00 -1.78 0.00 0.00 34.13 28.70 2yu7 s GLU 27 CO 0.00 -0.27 1.13 -1.25 -0.49 0.00 0.00 175.26 174.38 2yu7 s PRO 28 N 1.69 3.38 -1.21 0.39 0.04 -1.26 -3.53 135.00 134.51 2yu7 s PRO 28 Ca 0.06 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 2yu7 s PRO 28 Cb -0.16 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2yu7 s PRO 28 CO 0.08 -0.83 0.78 0.91 0.04 0.00 0.00 177.00 177.99 2yu7 n TRP 29 N -1.25 -2.08 -3.53 0.56 5.03 0.65 -4.71 117.44 112.10 2yu7 n TRP 29 Ca 0.11 0.67 -0.41 0.00 3.03 0.00 0.00 57.50 60.90 2yu7 n TRP 29 Cb 0.51 -4.19 -0.11 0.00 -1.03 0.00 0.00 31.31 26.49 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 -3.18 5.13 0.08 -0.99 2.01 -1.19 -1.61 115.64 115.88 2yu7 s THR 30 Ca 0.39 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2yu7 s THR 30 Cb -0.17 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2yu7 s THR 30 CO 0.48 -0.09 0.08 0.72 -0.69 0.00 0.00 174.62 175.11 2yu7 s PHE 31 N 1.68 3.19 -0.09 4.92 -0.71 -0.95 -0.29 117.98 125.73 2yu7 s PHE 31 Ca 0.05 0.08 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 2yu7 s PHE 31 Cb -0.18 -1.62 0.03 0.00 -1.21 0.00 0.00 43.02 40.04 2yu7 s PHE 31 CO 0.10 0.52 0.22 -0.48 -1.34 0.00 0.00 175.22 174.24 2yu7 s LEU 32 N -2.40 0.85 -0.18 -1.99 0.05 0.90 -1.50 118.68 114.41 2yu7 s LEU 32 Ca 0.29 0.45 -0.12 0.00 0.05 0.00 0.00 54.13 54.81 2yu7 s LEU 32 Cb -0.12 0.70 -0.05 0.00 -2.05 0.00 0.00 46.19 44.67 2yu7 s LEU 32 CO 0.22 -0.12 0.20 -0.69 -0.55 0.00 0.00 176.35 175.42 2yu7 s VAL 33 N 0.65 5.36 0.22 1.48 1.01 -0.46 -2.38 120.40 126.28 2yu7 s VAL 33 Ca -0.04 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2yu7 s VAL 33 Cb -0.06 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2yu7 s VAL 33 CO -0.04 0.43 0.26 -2.11 0.00 0.00 0.00 175.10 173.64 2yu7 n ARG 34 N 3.47 0.37 -3.21 2.72 1.85 -1.14 -0.77 116.66 119.95 2yu7 n ARG 34 Ca -0.14 -2.00 -0.24 0.00 -1.00 0.00 0.00 57.85 54.47 2yu7 n ARG 34 Cb 0.52 1.78 -0.01 0.00 -1.05 0.00 0.00 32.46 33.70 2yu7 n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2yu7 s GLU 35 N -2.69 3.46 0.41 2.89 0.41 -1.03 -2.42 118.70 119.72 2yu7 s GLU 35 Ca 0.22 -0.25 0.03 0.00 -0.41 0.00 0.00 54.97 54.56 2yu7 s GLU 35 Cb 0.00 -2.60 -0.00 0.00 -1.78 0.00 0.00 34.13 29.75 2yu7 s GLU 35 CO 0.16 0.05 0.59 0.45 -0.49 0.00 0.00 175.26 176.02 2yu7 s SER 36 N -4.06 5.85 -0.00 -0.19 0.15 -1.10 -4.34 113.70 110.00 2yu7 s SER 36 Ca 0.42 0.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 2yu7 s SER 36 Cb -0.10 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 2yu7 s SER 36 CO 0.38 -0.62 -0.05 0.18 1.20 0.00 0.00 173.24 174.33 2yu7 n LEU 37 N -1.91 0.53 -0.34 3.45 4.77 -1.26 -4.74 117.00 117.49 2yu7 n LEU 37 Ca 0.01 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.15 2yu7 n LEU 37 Cb 0.58 -0.30 0.24 0.00 -2.33 0.00 0.00 43.42 41.61 2yu7 n LEU 37 CO 0.45 -0.53 1.20 -1.28 -1.33 0.00 0.00 177.39 175.90 2yu7 h SER 38 N -0.14 0.83 -3.34 -1.43 0.87 -2.00 -3.34 113.55 105.00 2yu7 h SER 38 Ca 0.00 0.06 -0.73 0.00 -1.23 0.00 0.00 61.79 59.89 2yu7 h SER 38 Cb 0.14 -0.10 -0.27 0.00 -0.44 0.00 0.00 62.40 61.73 2yu7 h SER 38 CO 0.00 0.41 -0.39 -1.10 -0.53 0.00 0.00 176.83 175.22 2yu7 s GLN 39 N -5.95 2.66 -0.11 2.24 -1.52 -1.26 -5.06 119.66 110.65 2yu7 s GLN 39 Ca -0.12 -1.58 -0.29 0.00 -1.95 0.00 0.00 55.36 51.42 2yu7 s GLN 39 Cb 0.22 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 2yu7 s GLN 39 CO 0.80 -1.09 1.54 -1.25 -0.25 0.00 0.00 175.29 175.04 2yu7 s PRO 40 N 1.46 4.13 0.00 2.91 0.04 -1.25 -2.98 135.00 139.30 2yu7 s PRO 40 Ca 0.04 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2yu7 s PRO 40 Cb -0.25 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2yu7 s PRO 40 CO 0.02 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2yu7 n GLY 41 N 4.08 2.71 3.84 0.56 0.00 -1.26 -5.07 105.19 110.05 2yu7 n GLY 41 Ca 0.17 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2yu7 n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yu7 s ASP 42 N -0.03 2.23 0.35 1.61 1.11 -1.16 -4.84 116.67 115.94 2yu7 s ASP 42 Ca 0.00 0.26 0.04 0.00 0.18 0.00 0.00 52.55 53.02 2yu7 s ASP 42 Cb 0.00 -0.26 -0.04 0.00 1.07 0.00 0.00 42.92 43.69 2yu7 s ASP 42 CO 0.00 -3.28 0.13 -0.36 1.18 0.00 0.00 175.17 172.84 2yu7 s PHE 43 N -3.70 1.74 -0.02 4.23 0.40 -0.32 -2.70 117.98 117.61 2yu7 s PHE 43 Ca 0.75 -1.27 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 2yu7 s PHE 43 Cb -0.04 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.44 2yu7 s PHE 43 CO 0.54 -0.34 -0.09 0.08 0.70 0.00 0.00 175.22 176.11 2yu7 s VAL 44 N -3.39 0.79 -0.43 -0.44 1.01 -1.02 0.04 120.40 116.96 2yu7 s VAL 44 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2yu7 s VAL 44 Cb 0.05 -0.70 0.09 0.00 0.00 0.00 0.00 36.38 35.82 2yu7 s VAL 44 CO 0.16 0.24 0.28 -0.22 0.00 0.00 0.00 175.10 175.56 2yu7 s LEU 45 N 0.14 5.32 -0.11 3.92 1.98 -0.37 -2.90 118.68 126.66 2yu7 s LEU 45 Ca -0.02 -1.67 -0.10 0.00 -2.89 0.00 0.00 54.13 49.45 2yu7 s LEU 45 Cb -0.08 -1.98 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 2yu7 s LEU 45 CO 0.00 -0.59 0.22 -0.55 -1.89 0.00 0.00 176.35 173.54 2yu7 s SER 46 N 2.28 6.47 -0.04 3.68 0.15 -1.00 -0.89 113.70 124.34 2yu7 s SER 46 Ca 0.04 0.55 -0.04 0.00 0.70 0.00 0.00 55.95 57.20 2yu7 s SER 46 Cb -0.24 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2yu7 s SER 46 CO 0.01 0.32 0.11 -0.69 1.20 0.00 0.00 173.24 174.19 2yu7 s VAL 47 N -0.68 0.01 -0.11 4.45 1.01 -0.73 -0.07 120.40 124.29 2yu7 s VAL 47 Ca 0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 2yu7 s VAL 47 Cb -0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2yu7 s VAL 47 CO 0.05 -0.06 0.38 -0.22 0.00 0.00 0.00 175.10 175.25 2yu7 s LEU 48 N -0.16 4.31 0.67 3.92 2.96 0.60 -0.96 118.68 130.02 2yu7 s LEU 48 Ca -0.02 0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 2yu7 s LEU 48 Cb -0.02 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.20 2yu7 s LEU 48 CO 0.00 0.12 0.95 -0.94 -1.32 0.00 0.00 176.35 175.16 2yu7 s SER 49 N 0.17 4.83 -0.41 3.68 1.04 -0.34 -0.26 113.70 122.42 2yu7 s SER 49 Ca 0.22 0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.90 2yu7 s SER 49 Cb -0.15 -0.87 0.65 0.00 0.10 0.00 0.00 66.02 65.75 2yu7 s SER 49 CO 0.08 -1.54 1.85 -0.90 0.98 0.00 0.00 173.24 173.72 2yu7 n ASP 50 N -2.77 3.87 -3.82 7.02 5.75 -1.26 -4.40 116.55 120.95 2yu7 n ASP 50 Ca 0.09 -3.46 -0.14 0.00 -0.01 0.00 0.00 54.79 51.27 2yu7 n ASP 50 Cb 0.60 -0.81 -0.15 0.00 -1.03 0.00 0.00 41.12 39.73 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 -3.08 -0.01 0.43 0.11 -0.21 -1.26 -5.08 119.66 110.57 2yu7 s GLN 51 Ca 0.54 0.10 -0.24 0.00 0.02 0.00 0.00 55.36 55.77 2yu7 s GLN 51 Cb 0.45 -0.15 -0.08 0.00 1.00 0.00 0.00 33.01 34.23 2yu7 s GLN 51 CO 0.11 -0.09 1.18 -1.25 -2.12 0.00 0.00 175.29 173.12 2yu7 s PRO 52 N 0.58 3.90 0.39 2.91 0.04 -1.26 -0.88 135.00 140.68 2yu7 s PRO 52 Ca -0.05 1.84 0.14 0.00 0.04 0.00 0.00 61.00 62.97 2yu7 s PRO 52 Cb -0.07 -2.55 0.81 0.00 0.04 0.00 0.00 34.50 32.73 2yu7 s PRO 52 CO -0.02 -0.45 1.86 1.57 0.04 0.00 0.00 177.00 180.01 2yu7 h LYS 53 N 2.36 0.00 0.00 4.56 2.10 -1.61 -3.39 116.57 120.59 2yu7 h LYS 53 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2yu7 h LYS 53 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2yu7 h LYS 53 CO 0.61 0.33 -0.37 0.00 -2.00 0.00 0.00 179.45 178.02 2yu7 n ALA 54 N -2.45 3.00 0.00 0.07 0.00 -1.26 -5.03 120.51 114.84 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 0.38 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 3.15 3.02 3.58 0.00 0.00 -1.26 -5.02 105.19 108.66 2yu7 n GLY 55 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 2.49 -1.14 1.61 0.04 -1.26 -3.92 135.00 132.81 2yu7 s PRO 56 Ca 0.00 -1.16 -0.02 0.00 0.04 0.00 0.00 61.00 59.86 2yu7 s PRO 56 Cb 0.00 -5.24 -0.02 0.00 0.04 0.00 0.00 34.50 29.28 2yu7 s PRO 56 CO 0.00 -3.99 0.97 0.41 0.04 0.00 0.00 177.00 174.42 2yu7 n GLY 57 N 5.81 -0.57 3.40 0.56 0.00 -1.26 -5.02 105.19 108.11 2yu7 n GLY 57 Ca 0.45 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.08 3.34 0.43 1.61 1.04 -1.25 -5.09 113.70 109.69 2yu7 s SER 58 Ca 0.13 -0.81 -0.24 0.00 0.48 0.00 0.00 55.95 55.50 2yu7 s SER 58 Cb -0.02 -0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.79 2yu7 s SER 58 CO 0.72 0.14 1.18 -2.16 0.98 0.00 0.00 173.24 174.11 2yu7 s PRO 59 N -2.38 3.92 0.32 4.02 0.04 -1.26 -4.57 135.00 135.08 2yu7 s PRO 59 Ca 0.17 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2yu7 s PRO 59 Cb -0.09 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.77 2yu7 s PRO 59 CO 0.08 -0.43 1.54 -0.51 0.04 0.00 0.00 177.00 177.71 2yu7 s LEU 60 N -2.71 4.34 0.50 -3.56 1.43 -1.26 -1.84 118.68 115.58 2yu7 s LEU 60 Ca 0.60 2.95 -0.23 0.00 -1.03 0.00 0.00 54.13 56.42 2yu7 s LEU 60 Cb -0.31 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 2yu7 s LEU 60 CO 0.38 -0.87 1.28 -1.14 0.23 0.00 0.00 176.35 176.23 2yu7 n ARG 61 N 1.63 1.73 -4.22 1.70 0.63 -0.06 -4.65 116.66 113.42 2yu7 n ARG 61 Ca 0.06 0.63 -0.25 0.00 -0.92 0.00 0.00 57.85 57.37 2yu7 n ARG 61 Cb 0.38 -2.46 -0.07 0.00 0.45 0.00 0.00 32.46 30.76 2yu7 n ARG 61 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2yu7 s VAL 62 N -1.27 3.74 -0.13 5.15 1.01 -1.26 -1.19 120.40 126.44 2yu7 s VAL 62 Ca 0.67 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2yu7 s VAL 62 Cb -0.45 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2yu7 s VAL 62 CO 0.53 -0.23 -0.12 -0.89 0.00 0.00 0.00 175.10 174.39 2yu7 s THR 63 N -1.98 1.37 -0.44 3.92 2.01 -0.13 -4.96 115.64 115.43 2yu7 s THR 63 Ca 0.29 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2yu7 s THR 63 Cb -0.08 -1.31 0.08 0.00 0.01 0.00 0.00 72.50 71.20 2yu7 s THR 63 CO 0.20 0.43 0.30 -1.00 -0.69 0.00 0.00 174.62 173.85 2yu7 s HIS 64 N 1.52 3.33 -0.42 4.92 3.76 -1.26 -1.77 115.29 125.37 2yu7 s HIS 64 Ca 0.04 -1.47 -0.14 0.00 -0.15 0.00 0.00 55.06 53.34 2yu7 s HIS 64 Cb -0.13 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 30.52 2yu7 s HIS 64 CO -0.09 -0.86 0.30 0.42 -0.85 0.00 0.00 174.74 173.65 2yu7 s ILE 65 N 1.46 4.98 -0.06 0.60 1.01 -0.07 -4.90 121.20 124.21 2yu7 s ILE 65 Ca 0.04 -0.88 -0.35 0.00 0.00 0.00 0.00 60.65 59.45 2yu7 s ILE 65 Cb -0.24 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 2yu7 s ILE 65 CO 0.02 -0.38 1.75 0.29 0.00 0.00 0.00 174.94 176.63 2yu7 n LYS 66 N 5.11 1.89 -3.63 2.79 5.02 -1.26 -1.24 118.16 126.83 2yu7 n LYS 66 Ca -0.11 0.69 -0.38 0.00 -2.02 0.00 0.00 58.31 56.49 2yu7 n LYS 66 Cb 0.46 -2.47 -0.11 0.00 -0.02 0.00 0.00 35.03 32.88 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 3.03 5.06 -0.23 -0.18 1.01 0.11 -4.57 120.40 124.62 2yu7 s VAL 67 Ca 0.90 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 2yu7 s VAL 67 Cb -0.79 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2yu7 s VAL 67 CO 0.51 0.27 0.22 -0.04 0.00 0.00 0.00 175.10 176.06 2yu7 s MET 68 N 1.72 4.08 -0.22 2.72 -1.94 0.55 -1.17 119.30 125.04 2yu7 s MET 68 Ca 0.07 -0.17 -0.07 0.00 -1.71 0.00 0.00 55.69 53.82 2yu7 s MET 68 Cb -0.16 -3.55 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 2yu7 s MET 68 CO 0.09 0.02 0.05 0.00 -0.01 0.00 0.00 175.02 175.17 2yu7 n GLU 70 N 4.50 2.74 -3.25 0.00 -0.58 -0.74 -4.84 120.64 118.47 2yu7 n GLU 70 Ca -0.16 -2.81 -0.16 0.00 -0.42 0.00 0.00 57.16 53.60 2yu7 n GLU 70 Cb 0.52 -2.22 0.01 0.00 -0.57 0.00 0.00 31.44 29.18 2yu7 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yu7 n GLY 71 N 0.52 -0.97 0.00 0.62 0.00 -1.26 -4.05 105.19 100.05 2yu7 n GLY 71 Ca 0.51 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.42 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 -0.97 1.69 3.55 -0.02 0.00 -1.26 -5.09 105.19 103.09 2yu7 n GLY 72 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 1.92 0.02 1.61 0.52 -1.26 -4.27 118.95 117.44 2yu7 s ARG 73 Ca 0.00 -2.16 0.01 0.00 -0.52 0.00 0.00 55.73 53.06 2yu7 s ARG 73 Cb 0.00 -0.86 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 2yu7 s ARG 73 CO 0.00 -0.38 -0.04 0.71 0.02 0.00 0.00 175.30 175.60 2yu7 s TYR 74 N -3.15 0.35 0.21 -0.53 2.02 -0.62 -1.79 117.35 113.83 2yu7 s TYR 74 Ca 0.24 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 2yu7 s TYR 74 Cb 0.04 -0.23 0.00 0.00 -0.40 0.00 0.00 41.96 41.37 2yu7 s TYR 74 CO 0.13 -0.12 0.42 -0.08 -1.57 0.00 0.00 175.55 174.32 2yu7 s THR 75 N -1.16 0.03 -0.22 -0.71 -1.32 0.20 -0.39 115.64 112.07 2yu7 s THR 75 Ca -0.11 -1.28 -0.04 0.00 -1.21 0.00 0.00 61.69 59.06 2yu7 s THR 75 Cb -0.08 -1.96 0.12 0.00 -1.51 0.00 0.00 72.50 69.07 2yu7 s THR 75 CO -0.00 -0.12 0.37 0.68 -2.21 0.00 0.00 174.62 173.34 2yu7 s VAL 76 N -3.97 -0.59 0.00 5.08 -7.23 -1.26 -0.33 120.40 112.10 2yu7 s VAL 76 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2yu7 s VAL 76 Cb 0.01 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.19 2yu7 s VAL 76 CO 0.04 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2yu7 n GLY 77 N 5.37 1.14 0.00 2.32 0.00 -1.26 -4.84 105.19 107.91 2yu7 n GLY 77 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.57 0.08 -0.02 0.00 -1.26 -5.03 105.19 100.53 2yu7 n GLY 78 Ca 0.00 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 44.00 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 0.57 -4.50 0.99 -0.00 -1.26 -4.89 117.00 107.91 2yu7 n LEU 79 Ca 0.00 0.24 -0.34 0.00 -0.00 0.00 0.00 56.01 55.90 2yu7 n LEU 79 Cb 0.00 0.07 -0.18 0.00 -0.00 0.00 0.00 43.42 43.31 2yu7 n LEU 79 CO 0.00 0.06 2.17 -0.62 -0.00 0.00 0.00 177.39 179.00 2yu7 n GLU 80 N -2.67 0.02 -3.33 1.47 4.71 -1.26 -4.83 120.64 114.74 2yu7 n GLU 80 Ca -0.08 -0.01 -0.45 0.00 -0.01 0.00 0.00 57.16 56.61 2yu7 n GLU 80 Cb 0.74 -1.37 -0.06 0.00 -1.01 0.00 0.00 31.44 29.74 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2yu7 s THR 81 N 6.03 5.18 0.49 2.62 -4.23 -1.26 -4.22 115.64 120.26 2yu7 s THR 81 Ca 1.34 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 2yu7 s THR 81 Cb -1.10 -4.24 -0.07 0.00 1.34 0.00 0.00 72.50 68.43 2yu7 s THR 81 CO 0.51 -0.73 1.11 -0.36 -0.54 0.00 0.00 174.62 174.61 2yu7 s PHE 82 N 1.74 2.86 0.45 3.99 0.40 0.48 -4.67 117.98 123.23 2yu7 s PHE 82 Ca 0.05 1.56 0.24 0.00 -0.60 0.00 0.00 56.93 58.17 2yu7 s PHE 82 Cb -0.26 -3.25 1.25 0.00 0.51 0.00 0.00 43.02 41.26 2yu7 s PHE 82 CO 0.06 -1.30 1.82 0.22 0.70 0.00 0.00 175.22 176.71 2yu7 h ASP 83 N 1.65 0.28 -5.18 1.36 3.58 -1.89 -1.65 116.42 114.57 2yu7 h ASP 83 Ca -0.50 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.09 2yu7 h ASP 83 Cb 1.24 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 2yu7 h ASP 83 CO 0.59 0.07 0.39 -0.55 -2.88 0.00 0.00 179.24 176.86 2yu7 s SER 84 N -5.39 -0.08 0.31 2.28 0.15 -1.26 -4.19 113.70 105.52 2yu7 s SER 84 Ca -0.07 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 55.83 2yu7 s SER 84 Cb 0.24 0.66 0.51 0.00 -1.71 0.00 0.00 66.02 65.72 2yu7 s SER 84 CO 0.79 -1.28 1.83 -0.07 1.20 0.00 0.00 173.24 175.71 2yu7 h LEU 85 N 2.00 0.57 -1.95 3.45 3.38 -1.92 -1.41 115.31 119.43 2yu7 h LEU 85 Ca -0.27 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.65 2yu7 h LEU 85 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2yu7 h LEU 85 CO 0.33 0.65 0.21 0.74 0.09 0.00 0.00 178.44 180.46 2yu7 h THR 86 N 0.57 0.88 0.03 0.22 2.02 -1.98 0.12 112.91 114.77 2yu7 h THR 86 Ca 0.12 -0.02 -0.24 0.00 0.77 0.00 0.00 66.41 67.04 2yu7 h THR 86 Cb 0.39 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2yu7 h THR 86 CO 0.02 0.01 -1.29 0.44 0.37 0.00 0.00 175.52 175.07 2yu7 h ASP 87 N 0.06 0.09 -0.90 4.18 5.19 -1.83 -2.75 116.42 120.47 2yu7 h ASP 87 Ca 0.14 -0.63 0.09 0.00 -0.62 0.00 0.00 57.03 56.00 2yu7 h ASP 87 Cb 0.48 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.89 2yu7 h ASP 87 CO -0.01 1.52 0.58 0.25 -3.12 0.00 0.00 179.24 178.46 2yu7 h LEU 88 N -0.79 0.84 0.01 1.55 6.46 -1.01 -0.11 115.31 122.26 2yu7 h LEU 88 Ca -0.33 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 2yu7 h LEU 88 Cb 1.43 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2yu7 h LEU 88 CO -0.13 0.50 -0.00 0.58 -0.62 0.00 0.00 178.44 178.77 2yu7 h VAL 89 N 0.93 1.54 -0.70 1.05 2.07 -0.93 -3.22 116.25 116.99 2yu7 h VAL 89 Ca 0.41 -2.02 0.20 0.00 0.82 0.00 0.00 66.70 66.11 2yu7 h VAL 89 Cb 0.35 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 2yu7 h VAL 89 CO -0.17 0.50 0.50 -0.33 0.02 0.00 0.00 177.57 178.09 2yu7 h GLU 90 N -0.93 0.02 -0.28 1.57 4.39 -1.25 0.49 114.58 118.58 2yu7 h GLU 90 Ca -0.00 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2yu7 h GLU 90 Cb 0.82 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2yu7 h GLU 90 CO 0.00 0.01 -0.42 1.25 -1.16 0.00 0.00 179.01 178.69 2yu7 h HIS 91 N 0.02 0.84 0.00 4.33 2.76 -1.08 -3.11 115.15 118.91 2yu7 h HIS 91 Ca 0.33 -0.26 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 2yu7 h HIS 91 Cb 1.30 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 2yu7 h HIS 91 CO -0.00 1.00 -0.95 0.74 -1.30 0.00 0.00 177.93 177.43 2yu7 h PHE 92 N 0.57 0.00 0.00 5.26 0.04 -0.71 -2.64 116.94 119.46 2yu7 h PHE 92 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2yu7 h PHE 92 Cb 0.96 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 2yu7 h PHE 92 CO 0.05 0.46 -0.02 0.87 -0.60 0.00 0.00 178.31 179.07 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 -0.12 1.73 116.57 121.27 2yu7 h LYS 93 Ca -0.07 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.39 2yu7 h LYS 93 Cb 1.42 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.67 2yu7 h LYS 93 CO 0.05 0.02 -2.20 0.36 -0.57 0.00 0.00 179.45 177.11 2yu7 n LYS 94 N -3.97 0.56 -0.10 3.15 2.85 -1.22 -4.61 118.16 114.83 2yu7 n LYS 94 Ca -0.03 0.12 -0.21 0.00 -1.05 0.00 0.00 58.31 57.13 2yu7 n LYS 94 Cb 0.10 -1.42 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 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 0.00 0.96 0.00 0.58 1.35 -1.34 -3.52 112.91 110.94 2yu7 h THR 95 Ca -0.47 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2yu7 h THR 95 Cb 1.74 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2yu7 h THR 95 CO -0.07 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2yu7 n GLY 96 N 1.46 2.27 3.47 5.82 0.00 0.59 -5.01 105.19 113.78 2yu7 n GLY 96 Ca -0.31 -1.94 -0.34 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 -2.77 3.94 -0.19 -0.61 1.01 -0.19 -4.79 121.20 117.60 2yu7 s ILE 97 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 2yu7 s ILE 97 Cb 0.00 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 2yu7 s ILE 97 CO 0.00 0.46 0.15 -0.70 0.00 0.00 0.00 174.94 174.85 2yu7 s GLU 98 N 0.71 4.15 0.09 2.79 -6.30 -1.26 -0.25 118.70 118.62 2yu7 s GLU 98 Ca -0.01 -0.18 -0.17 0.00 -2.50 0.00 0.00 54.97 52.11 2yu7 s GLU 98 Cb -0.14 -3.40 -0.07 0.00 0.00 0.00 0.00 34.13 30.52 2yu7 s GLU 98 CO 0.02 0.33 0.56 -1.21 0.02 0.00 0.00 175.26 174.97 2yu7 s GLU 99 N 0.28 4.11 0.21 4.30 2.02 0.23 -4.94 118.70 124.90 2yu7 s GLU 99 Ca 0.09 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.73 2yu7 s GLU 99 Cb -0.11 -3.13 0.49 0.00 0.10 0.00 0.00 34.13 31.48 2yu7 s GLU 99 CO -0.01 0.59 1.08 0.00 0.02 0.00 0.00 175.26 176.94 2yu7 n ALA 100 N 1.42 0.32 -0.14 5.21 0.00 -1.26 0.23 120.51 126.28 2yu7 n ALA 100 Ca -0.09 0.74 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 2yu7 n ALA 100 Cb 0.51 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 2yu7 n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2yu7 h SER 101 N 0.00 0.56 0.00 0.00 0.87 -2.04 -3.47 113.55 109.47 2yu7 h SER 101 Ca 0.40 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2yu7 h SER 101 Cb 0.80 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2yu7 h SER 101 CO -0.66 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 176.78 2yu7 n GLY 102 N -0.88 1.12 3.34 5.77 0.00 0.62 -5.13 105.19 110.03 2yu7 n GLY 102 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.90 -3.56 4.61 0.00 -1.25 -4.32 120.51 113.09 2yu7 n ALA 103 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 2yu7 n ALA 103 Cb 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.91 3.38 -0.20 0.00 0.08 -1.26 -0.60 117.98 118.46 2yu7 s PHE 104 Ca 0.65 -1.91 -0.22 0.00 0.12 0.00 0.00 56.93 55.56 2yu7 s PHE 104 Cb -0.94 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2yu7 s PHE 104 CO 0.55 -0.85 0.69 0.08 -0.10 0.00 0.00 175.22 175.59 2yu7 s VAL 105 N 1.27 4.98 -0.15 -0.44 1.01 0.65 -4.92 120.40 122.79 2yu7 s VAL 105 Ca 0.01 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 2yu7 s VAL 105 Cb -0.21 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2yu7 s VAL 105 CO -0.01 0.08 -0.10 -0.31 0.00 0.00 0.00 175.10 174.76 2yu7 s TYR 106 N 2.04 2.89 -0.30 5.22 2.02 -1.26 -1.03 117.35 126.93 2yu7 s TYR 106 Ca 0.31 -0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 2yu7 s TYR 106 Cb -0.16 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2yu7 s TYR 106 CO 0.11 -0.20 0.08 -0.51 -1.57 0.00 0.00 175.55 173.46 2yu7 s LEU 107 N 0.47 3.90 0.00 -1.29 1.02 -1.26 -4.34 118.68 117.18 2yu7 s LEU 107 Ca -0.07 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.31 2yu7 s LEU 107 Cb -0.15 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.18 2yu7 s LEU 107 CO 0.04 -0.21 0.00 0.54 0.02 0.00 0.00 176.35 176.74 2yu7 n ARG 108 N 4.86 1.23 -3.40 1.70 1.74 -0.63 -4.39 116.66 117.76 2yu7 n ARG 108 Ca -0.14 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.50 2yu7 n ARG 108 Cb 0.47 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 31.12 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 -1.48 2.90 -1.11 5.56 -0.21 -0.92 -5.01 119.66 119.38 2yu7 s GLN 109 Ca 0.00 -1.86 -0.23 0.00 0.02 0.00 0.00 55.36 53.29 2yu7 s GLN 109 Cb 0.00 -4.18 -0.08 0.00 1.00 0.00 0.00 33.01 29.75 2yu7 s GLN 109 CO 0.00 -1.28 1.94 -1.25 -2.12 0.00 0.00 175.29 172.58 2yu7 s PRO 110 N 1.26 2.51 -0.37 2.91 0.04 -1.26 -2.25 135.00 137.85 2yu7 s PRO 110 Ca 0.06 -0.94 -0.33 0.00 0.04 0.00 0.00 61.00 59.83 2yu7 s PRO 110 Cb -0.26 -5.20 -0.14 0.00 0.04 0.00 0.00 34.50 28.94 2yu7 s PRO 110 CO -0.00 -3.84 1.48 0.98 0.04 0.00 0.00 177.00 175.66 2yu7 n TYR 111 N 14.30 0.96 -1.43 0.56 9.36 -0.56 -4.58 117.16 135.76 2yu7 n TYR 111 Ca 0.44 0.63 -0.30 0.00 3.32 0.00 0.00 57.90 61.99 2yu7 n TYR 111 Cb 0.47 -1.67 0.02 0.00 -0.63 0.00 0.00 39.34 37.53 2yu7 n TYR 111 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2yu7 n TYR 112 N 4.89 2.31 -3.75 2.98 4.02 -1.26 -4.38 117.16 121.97 2yu7 n TYR 112 Ca 0.36 -2.29 -0.28 0.00 -0.01 0.00 0.00 57.90 55.68 2yu7 n TYR 112 Cb -0.03 -1.26 -0.06 0.00 -0.02 0.00 0.00 39.34 37.96 2yu7 n TYR 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2yu7 n SER 113 N -0.01 -0.57 -4.28 7.72 2.88 -1.26 -4.88 113.62 113.22 2yu7 n SER 113 Ca 0.49 -0.91 -0.28 0.00 -1.33 0.00 0.00 58.87 56.84 2yu7 n SER 113 Cb 0.50 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 62.66 2yu7 n SER 113 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu7 s GLY 114 N -3.15 1.21 0.78 0.46 0.00 -1.26 -5.14 107.32 100.21 2yu7 s GLY 114 Ca 0.38 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 2yu7 s GLY 114 CO 0.74 -0.98 0.69 -1.55 0.00 0.00 0.00 173.10 172.00 2yu7 n PRO 115 N 2.08 -2.36 -0.11 2.90 -0.04 -1.26 -4.96 135.00 131.24 2yu7 n PRO 115 Ca -0.16 -1.10 -0.19 0.00 -0.04 0.00 0.00 63.50 62.01 2yu7 n PRO 115 Cb 0.52 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.89 2yu7 n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu7 n SER 116 N -4.18 1.94 -3.97 3.54 2.88 -1.26 -5.00 113.62 107.57 2yu7 n SER 116 Ca 0.10 0.35 -0.31 0.00 -1.33 0.00 0.00 58.87 57.68 2yu7 n SER 116 Cb 0.37 -0.79 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 2yu7 n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yu7 n SER 117 N -4.37 -4.08 0.00 -3.46 7.64 -1.26 -5.16 113.62 102.92 2yu7 n SER 117 Ca -0.33 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2yu7 n SER 117 Cb 0.68 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 2yu7 n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64