#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 7.07 -0.28 1.61 0.15 -1.26 -5.06 113.70 115.93 2yu7 s SER 2 Ca 0.00 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.11 2yu7 s SER 2 Cb 0.00 -2.43 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 2yu7 s SER 2 CO 0.00 0.01 -0.07 -0.44 1.20 0.00 0.00 173.24 173.94 2yu7 s SER 3 N -1.68 4.60 -0.49 5.45 0.01 -1.26 -5.00 113.70 115.33 2yu7 s SER 3 Ca 0.44 -1.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.28 2yu7 s SER 3 Cb -0.16 -1.60 0.25 0.00 0.21 0.00 0.00 66.02 64.71 2yu7 s SER 3 CO 0.21 -0.22 2.20 0.61 0.41 0.00 0.00 173.24 176.45 2yu7 n GLY 4 N 4.48 4.74 3.54 3.44 0.00 -1.26 -4.89 105.19 115.24 2yu7 n GLY 4 Ca -0.13 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 2yu7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu7 s SER 5 N -0.40 -0.28 -0.45 1.61 0.15 -1.26 -4.94 113.70 108.14 2yu7 s SER 5 Ca 0.48 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 57.15 2yu7 s SER 5 Cb 0.36 0.30 0.14 0.00 -1.71 0.00 0.00 66.02 65.10 2yu7 s SER 5 CO -0.10 -0.48 0.25 -0.44 1.20 0.00 0.00 173.24 173.67 2yu7 s SER 6 N -2.38 3.62 0.00 5.45 0.01 -1.26 -5.07 113.70 114.06 2yu7 s SER 6 Ca 0.07 -2.67 0.00 0.00 1.31 0.00 0.00 55.95 54.66 2yu7 s SER 6 Cb -0.01 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2yu7 s SER 6 CO -0.07 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2yu7 n GLY 7 N 3.49 0.01 0.83 3.44 0.00 -1.26 -4.31 105.19 107.38 2yu7 n GLY 7 Ca 0.09 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 0.30 0.66 -3.16 1.61 4.27 -1.26 -4.20 117.44 115.66 2yu7 n TRP 8 Ca 0.00 -0.55 -0.39 0.00 -3.89 0.00 0.00 57.50 52.66 2yu7 n TRP 8 Cb 0.00 -0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 29.82 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 -1.29 3.71 0.00 -2.67 5.04 -1.26 -2.24 117.35 118.65 2yu7 s TYR 9 Ca 0.31 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 2yu7 s TYR 9 Cb 0.18 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.84 2yu7 s TYR 9 CO 0.18 0.36 0.00 0.72 -1.34 0.00 0.00 175.55 175.47 2yu7 n HIS 10 N 2.61 0.00 0.00 4.97 8.25 0.62 -4.73 115.22 126.93 2yu7 n HIS 10 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2yu7 n HIS 10 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 2.79 0.64 3.36 -1.41 0.00 -1.26 -4.96 105.19 104.36 2yu7 n GLY 11 Ca 0.00 -1.80 -0.53 0.00 0.00 0.00 0.00 46.02 43.69 2yu7 n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yu7 n HIS 12 N 6.19 1.12 -3.64 1.61 -0.00 -1.26 -0.73 115.22 118.50 2yu7 n HIS 12 Ca 0.00 0.56 -0.03 0.00 0.46 0.00 0.00 57.72 58.71 2yu7 n HIS 12 Cb 0.00 -2.37 -0.07 0.00 -0.12 0.00 0.00 29.99 27.43 2yu7 n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2yu7 s MET 13 N 6.82 0.37 0.20 1.57 0.00 -1.24 -4.88 119.30 122.14 2yu7 s MET 13 Ca 1.21 0.59 -0.00 0.00 0.00 0.00 0.00 55.69 57.49 2yu7 s MET 13 Cb -1.27 0.10 -0.04 0.00 0.00 0.00 0.00 34.83 33.62 2yu7 s MET 13 CO 0.57 -0.07 0.38 0.45 0.00 0.00 0.00 175.02 176.36 2yu7 s SER 14 N 1.08 6.38 0.49 1.11 0.15 -1.26 -4.40 113.70 117.26 2yu7 s SER 14 Ca -0.06 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.14 2yu7 s SER 14 Cb -0.04 -1.99 1.04 0.00 -1.71 0.00 0.00 66.02 63.31 2yu7 s SER 14 CO -0.13 -0.04 1.53 1.23 1.20 0.00 0.00 173.24 177.03 2yu7 h GLY 15 N 1.95 0.00 2.00 9.45 0.00 -1.99 0.27 103.07 114.75 2yu7 h GLY 15 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 2yu7 h GLY 15 CO 0.68 0.00 -0.63 -1.33 0.00 0.00 0.00 176.54 175.25 2yu7 h GLY 16 N 0.00 0.00 0.00 4.60 0.00 -2.02 -3.20 103.07 102.45 2yu7 h GLY 16 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2yu7 h GLY 16 CO 0.00 0.00 -0.61 -1.61 0.00 0.00 0.00 176.54 174.32 2yu7 h GLN 17 N 0.00 0.00 -0.98 4.80 -0.00 -0.85 -3.39 115.11 114.69 2yu7 h GLN 17 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.77 2yu7 h GLN 17 Cb 1.14 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 28.48 2yu7 h GLN 17 CO 0.08 0.63 -0.47 0.00 0.00 0.00 0.00 178.83 179.07 2yu7 n ALA 18 N -3.18 -0.35 -0.33 3.38 0.00 -1.11 0.83 120.51 119.74 2yu7 n ALA 18 Ca -0.17 0.91 0.31 0.00 0.00 0.00 0.00 53.44 54.49 2yu7 n ALA 18 Cb 0.44 -0.30 0.54 0.00 0.00 0.00 0.00 19.45 20.13 2yu7 n ALA 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2yu7 n GLU 19 N -5.35 -0.05 0.08 0.00 1.02 -1.21 0.14 120.64 115.28 2yu7 n GLU 19 Ca 0.06 1.18 -0.10 0.00 -0.02 0.00 0.00 57.16 58.28 2yu7 n GLU 19 Cb 0.33 -2.18 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 2yu7 n GLU 19 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2yu7 h THR 20 N 0.00 0.65 0.32 2.62 2.02 0.22 -3.01 112.91 115.74 2yu7 h THR 20 Ca 0.76 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2yu7 h THR 20 Cb 2.15 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2yu7 h THR 20 CO -0.59 0.17 -0.20 -0.07 0.37 0.00 0.00 175.52 175.20 2yu7 h LEU 21 N -0.92 -0.50 -0.67 2.58 3.38 0.00 -0.57 115.31 118.62 2yu7 h LEU 21 Ca -0.03 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2yu7 h LEU 21 Cb 0.49 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2yu7 h LEU 21 CO 0.05 -0.30 -0.40 0.18 0.09 0.00 0.00 178.44 178.06 2yu7 n LEU 22 N -3.50 -0.71 -0.21 1.67 4.77 0.60 0.17 117.00 119.79 2yu7 n LEU 22 Ca -0.06 1.40 0.15 0.00 -0.03 0.00 0.00 56.01 57.47 2yu7 n LEU 22 Cb 0.20 -0.26 0.47 0.00 -2.33 0.00 0.00 43.42 41.50 2yu7 n LEU 22 CO 0.14 -1.08 1.21 1.56 -1.33 0.00 0.00 177.39 177.90 2yu7 h GLN 23 N 0.00 0.48 -0.30 3.23 4.20 -1.52 0.10 115.11 121.30 2yu7 h GLN 23 Ca 0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2yu7 h GLN 23 Cb 0.28 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2yu7 h GLN 23 CO -0.63 0.32 0.14 0.00 -0.67 0.00 0.00 178.83 177.98 2yu7 h ALA 24 N 1.63 1.67 -0.80 3.87 0.00 0.34 -2.34 119.26 123.62 2yu7 h ALA 24 Ca 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2yu7 h ALA 24 Cb 0.86 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2yu7 h ALA 24 CO -0.15 0.27 0.53 -0.22 0.00 0.00 0.00 179.25 179.68 2yu7 h LYS 25 N 0.42 1.04 0.00 0.00 3.11 0.45 -3.46 116.57 118.13 2yu7 h LYS 25 Ca 0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2yu7 h LYS 25 Cb 0.07 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.06 2yu7 h LYS 25 CO -0.01 0.69 0.00 0.41 -2.81 0.00 0.00 179.45 177.73 2yu7 n GLY 26 N -1.32 0.61 3.42 5.01 0.00 -0.88 -5.02 105.19 107.01 2yu7 n GLY 26 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.01 3.59 0.67 1.61 0.41 -1.26 -5.10 118.70 118.62 2yu7 s GLU 27 Ca 0.00 -0.51 -0.14 0.00 -0.41 0.00 0.00 54.97 53.90 2yu7 s GLU 27 Cb 0.00 -3.22 0.01 0.00 -1.78 0.00 0.00 34.13 29.14 2yu7 s GLU 27 CO 0.00 -0.15 1.11 -1.25 -0.49 0.00 0.00 175.26 174.48 2yu7 s PRO 28 N 1.47 2.74 -1.48 0.39 0.04 -1.26 -3.61 135.00 133.28 2yu7 s PRO 28 Ca 0.05 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 2yu7 s PRO 28 Cb -0.15 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2yu7 s PRO 28 CO 0.02 -1.29 0.84 0.91 0.04 0.00 0.00 177.00 177.51 2yu7 n TRP 29 N -2.56 -2.33 -3.63 0.56 5.03 0.26 -4.70 117.44 110.07 2yu7 n TRP 29 Ca 0.10 0.72 -0.39 0.00 3.03 0.00 0.00 57.50 60.96 2yu7 n TRP 29 Cb 0.52 -4.72 -0.11 0.00 -1.03 0.00 0.00 31.31 25.97 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 -3.24 4.83 0.12 -0.99 2.01 -1.14 -1.77 115.64 115.46 2yu7 s THR 30 Ca 0.42 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.21 2yu7 s THR 30 Cb -0.18 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2yu7 s THR 30 CO 0.51 0.12 0.12 0.72 -0.69 0.00 0.00 174.62 175.40 2yu7 s PHE 31 N 1.66 3.19 -0.12 4.92 -0.71 -0.93 -0.15 117.98 125.84 2yu7 s PHE 31 Ca 0.06 0.04 -0.07 0.00 -1.04 0.00 0.00 56.93 55.91 2yu7 s PHE 31 Cb -0.17 -1.57 0.05 0.00 -1.21 0.00 0.00 43.02 40.12 2yu7 s PHE 31 CO 0.08 0.52 0.30 -0.48 -1.34 0.00 0.00 175.22 174.29 2yu7 s LEU 32 N -2.76 0.34 -0.06 -1.99 0.05 0.11 -0.63 118.68 113.74 2yu7 s LEU 32 Ca 0.30 0.63 -0.14 0.00 0.05 0.00 0.00 54.13 54.97 2yu7 s LEU 32 Cb -0.11 0.94 -0.05 0.00 -2.05 0.00 0.00 46.19 44.92 2yu7 s LEU 32 CO 0.23 -0.16 0.37 -0.69 -0.55 0.00 0.00 176.35 175.54 2yu7 s VAL 33 N 1.14 5.16 0.36 1.48 1.01 -0.95 -2.24 120.40 126.35 2yu7 s VAL 33 Ca -0.08 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2yu7 s VAL 33 Cb -0.09 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2yu7 s VAL 33 CO -0.08 0.51 0.42 0.00 0.00 0.00 0.00 175.10 175.95 2yu7 s ARG 34 N -0.56 1.93 0.31 2.72 1.70 -1.15 -0.28 118.95 123.62 2yu7 s ARG 34 Ca 0.22 -1.90 -0.06 0.00 -0.47 0.00 0.00 55.73 53.52 2yu7 s ARG 34 Cb -0.15 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 2yu7 s ARG 34 CO 0.10 -0.78 0.59 -1.21 -1.08 0.00 0.00 175.30 172.92 2yu7 s GLU 35 N -3.05 3.65 0.59 3.89 0.41 0.09 -2.70 118.70 121.59 2yu7 s GLU 35 Ca 0.34 0.08 -0.03 0.00 -0.41 0.00 0.00 54.97 54.95 2yu7 s GLU 35 Cb 0.00 -2.61 0.03 0.00 -1.78 0.00 0.00 34.13 29.78 2yu7 s GLU 35 CO 0.24 0.17 0.86 -1.54 -0.49 0.00 0.00 175.26 174.51 2yu7 s SER 36 N -3.17 5.25 0.00 -0.19 1.04 -0.89 -3.69 113.70 112.06 2yu7 s SER 36 Ca 0.45 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2yu7 s SER 36 Cb -0.11 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2yu7 s SER 36 CO 0.30 -1.22 0.00 0.18 0.98 0.00 0.00 173.24 173.48 2yu7 n LEU 37 N -2.54 1.07 0.01 2.42 4.32 -1.26 -4.86 117.00 116.16 2yu7 n LEU 37 Ca 0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.86 2yu7 n LEU 37 Cb 0.59 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.25 2yu7 n LEU 37 CO 0.49 0.18 -0.01 0.28 -1.22 0.00 0.00 177.39 177.11 2yu7 h SER 38 N 0.00 0.33 -3.34 -1.43 0.02 -1.99 -3.45 113.55 103.68 2yu7 h SER 38 Ca 0.00 -0.92 -0.56 0.00 -0.84 0.00 0.00 61.79 59.47 2yu7 h SER 38 Cb 0.45 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2yu7 h SER 38 CO 0.00 1.36 0.04 -1.10 -1.14 0.00 0.00 176.83 175.99 2yu7 s GLN 39 N -2.39 4.34 0.30 3.45 -1.52 -1.26 -5.05 119.66 117.54 2yu7 s GLN 39 Ca -0.17 0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 53.82 2yu7 s GLN 39 Cb 0.01 -3.27 -0.10 0.00 -0.22 0.00 0.00 33.01 29.43 2yu7 s GLN 39 CO 0.78 0.54 1.23 -1.25 -0.25 0.00 0.00 175.29 176.34 2yu7 s PRO 40 N -0.87 4.46 -0.92 2.91 0.04 -1.26 -3.74 135.00 135.62 2yu7 s PRO 40 Ca 0.32 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 2yu7 s PRO 40 Cb -0.20 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2yu7 s PRO 40 CO 0.21 -0.04 0.32 0.41 0.04 0.00 0.00 177.00 177.93 2yu7 n GLY 41 N 1.04 -0.41 3.18 0.56 0.00 -1.26 -4.90 105.19 103.39 2yu7 n GLY 41 Ca -0.00 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2yu7 n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yu7 n ASP 42 N -1.43 0.44 -4.09 1.61 8.00 -1.25 -4.54 116.55 115.30 2yu7 n ASP 42 Ca -0.13 -3.11 -0.07 0.00 0.71 0.00 0.00 54.79 52.19 2yu7 n ASP 42 Cb 0.42 1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 42.67 2yu7 n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2yu7 s PHE 43 N -3.15 0.55 -0.06 1.24 0.08 -0.99 -2.09 117.98 113.55 2yu7 s PHE 43 Ca 0.28 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 56.29 2yu7 s PHE 43 Cb 0.01 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2yu7 s PHE 43 CO 0.19 -0.40 -0.20 0.08 -0.10 0.00 0.00 175.22 174.80 2yu7 s VAL 44 N -3.93 1.66 -0.28 -0.44 1.01 -1.10 -1.06 120.40 116.26 2yu7 s VAL 44 Ca 0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2yu7 s VAL 44 Cb 0.08 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2yu7 s VAL 44 CO -0.09 0.47 0.18 -0.22 0.00 0.00 0.00 175.10 175.45 2yu7 s LEU 45 N 0.18 4.01 -0.06 3.92 1.98 -0.06 -2.94 118.68 125.70 2yu7 s LEU 45 Ca -0.09 -0.07 0.02 0.00 -2.89 0.00 0.00 54.13 51.10 2yu7 s LEU 45 Cb -0.14 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.58 2yu7 s LEU 45 CO 0.04 -0.07 -0.11 -0.55 -1.89 0.00 0.00 176.35 173.78 2yu7 s SER 46 N 1.74 4.28 -0.04 3.68 0.15 -0.95 -0.37 113.70 122.19 2yu7 s SER 46 Ca 0.07 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 2yu7 s SER 46 Cb -0.16 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.16 2yu7 s SER 46 CO 0.10 0.35 0.11 -0.69 1.20 0.00 0.00 173.24 174.31 2yu7 s VAL 47 N -0.73 0.01 -0.25 4.45 1.01 -0.84 0.05 120.40 124.09 2yu7 s VAL 47 Ca 0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2yu7 s VAL 47 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 2yu7 s VAL 47 CO 0.01 -0.05 0.26 -0.22 0.00 0.00 0.00 175.10 175.10 2yu7 s LEU 48 N -0.11 4.07 0.90 3.92 2.96 0.78 -1.48 118.68 129.73 2yu7 s LEU 48 Ca -0.02 0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 2yu7 s LEU 48 Cb -0.02 -2.25 0.14 0.00 0.50 0.00 0.00 46.19 44.57 2yu7 s LEU 48 CO 0.00 -0.05 1.22 -0.94 -1.32 0.00 0.00 176.35 175.27 2yu7 s SER 49 N 1.40 3.68 -0.48 3.68 1.04 -0.54 0.89 113.70 123.37 2yu7 s SER 49 Ca 0.11 0.61 0.03 0.00 0.48 0.00 0.00 55.95 57.18 2yu7 s SER 49 Cb -0.15 -0.94 0.59 0.00 0.10 0.00 0.00 66.02 65.62 2yu7 s SER 49 CO 0.08 -2.41 1.87 -0.67 0.98 0.00 0.00 173.24 173.09 2yu7 n ASP 50 N -3.62 4.60 -3.70 7.02 2.03 -1.26 -4.36 116.55 117.25 2yu7 n ASP 50 Ca 0.11 -3.68 -0.18 0.00 0.52 0.00 0.00 54.79 51.56 2yu7 n ASP 50 Cb 0.60 -0.83 -0.17 0.00 -0.72 0.00 0.00 41.12 40.00 2yu7 n ASP 50 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2yu7 s GLN 51 N -3.43 -0.05 0.63 -0.67 -1.52 -1.26 -5.08 119.66 108.27 2yu7 s GLN 51 Ca 0.57 0.33 -0.16 0.00 -1.95 0.00 0.00 55.36 54.15 2yu7 s GLN 51 Cb 0.48 -0.39 -0.02 0.00 -0.22 0.00 0.00 33.01 32.85 2yu7 s GLN 51 CO 0.06 -0.27 1.12 -1.25 -0.25 0.00 0.00 175.29 174.70 2yu7 s PRO 52 N 1.79 2.96 0.39 2.91 0.04 -1.26 -1.41 135.00 140.43 2yu7 s PRO 52 Ca -0.00 1.45 0.25 0.00 0.04 0.00 0.00 61.00 62.74 2yu7 s PRO 52 Cb -0.12 -1.97 0.60 0.00 0.04 0.00 0.00 34.50 33.05 2yu7 s PRO 52 CO -0.03 -1.13 1.70 0.87 0.04 0.00 0.00 177.00 178.44 2yu7 h LYS 53 N 0.37 0.00 -5.20 4.56 1.57 -1.62 -3.44 116.57 112.81 2yu7 h LYS 53 Ca -0.48 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.81 2yu7 h LYS 53 Cb 1.25 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 2yu7 h LYS 53 CO 0.55 0.00 -0.59 0.00 -0.57 0.00 0.00 179.45 178.84 2yu7 s ALA 54 N -3.25 2.52 -0.01 3.86 0.00 -1.26 -5.09 121.76 118.53 2yu7 s ALA 54 Ca 0.07 -1.88 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 2yu7 s ALA 54 Cb 0.07 0.65 -0.12 0.00 0.00 0.00 0.00 23.12 23.72 2yu7 s ALA 54 CO 0.63 -0.30 0.89 0.78 0.00 0.00 0.00 175.76 177.76 2yu7 h GLY 55 N 2.03 -0.76 0.00 0.00 0.00 -1.99 -3.43 103.07 98.93 2yu7 h GLY 55 Ca -0.40 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2yu7 h GLY 55 CO 0.68 -0.28 0.00 -1.55 0.00 0.00 0.00 176.54 175.39 2yu7 n PRO 56 N -5.26 0.08 -1.55 4.80 -0.04 -1.26 -4.78 135.00 126.99 2yu7 n PRO 56 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 2yu7 n PRO 56 Cb 0.30 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.69 2yu7 n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yu7 n GLY 57 N 2.44 -0.03 3.17 0.55 0.00 -1.26 -4.89 105.19 105.17 2yu7 n GLY 57 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 10.89 1.25 0.54 1.61 1.04 -1.26 -5.04 113.70 122.73 2yu7 s SER 58 Ca 1.01 -0.90 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 2yu7 s SER 58 Cb -0.28 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 2yu7 s SER 58 CO 0.23 -0.36 1.13 -2.16 0.98 0.00 0.00 173.24 173.06 2yu7 s PRO 59 N -3.25 3.39 0.18 4.02 0.04 -1.26 -4.64 135.00 133.47 2yu7 s PRO 59 Ca 0.08 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2yu7 s PRO 59 Cb 0.01 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2yu7 s PRO 59 CO -0.02 -0.82 1.12 -0.51 0.04 0.00 0.00 177.00 176.80 2yu7 s LEU 60 N -3.75 4.48 0.35 -3.56 1.43 -1.26 -1.81 118.68 114.56 2yu7 s LEU 60 Ca 0.72 2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 55.67 2yu7 s LEU 60 Cb -0.24 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.25 2yu7 s LEU 60 CO 0.27 -0.25 1.21 -1.14 0.23 0.00 0.00 176.35 176.67 2yu7 n ARG 61 N 2.38 1.90 -4.12 1.70 3.00 -0.50 -4.63 116.66 116.40 2yu7 n ARG 61 Ca 0.03 0.67 -0.22 0.00 -0.00 0.00 0.00 57.85 58.33 2yu7 n ARG 61 Cb 0.46 -2.22 -0.05 0.00 0.00 0.00 0.00 32.46 30.65 2yu7 n ARG 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2yu7 s VAL 62 N -1.11 4.09 -0.07 5.15 1.01 -1.26 -1.46 120.40 126.75 2yu7 s VAL 62 Ca 0.57 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2yu7 s VAL 62 Cb -0.58 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2yu7 s VAL 62 CO 0.61 -0.33 -0.05 -0.89 0.00 0.00 0.00 175.10 174.43 2yu7 s THR 63 N -2.20 0.72 -0.30 3.92 2.01 -0.55 -4.97 115.64 114.27 2yu7 s THR 63 Ca 0.34 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 2yu7 s THR 63 Cb -0.07 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2yu7 s THR 63 CO 0.24 0.29 0.06 -1.00 -0.69 0.00 0.00 174.62 173.52 2yu7 s HIS 64 N 1.30 3.16 -0.17 4.92 3.76 -1.26 -1.99 115.29 125.01 2yu7 s HIS 64 Ca -0.04 -1.16 -0.05 0.00 -0.15 0.00 0.00 55.06 53.66 2yu7 s HIS 64 Cb -0.14 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 2yu7 s HIS 64 CO -0.02 -0.63 -0.01 0.42 -0.85 0.00 0.00 174.74 173.65 2yu7 s ILE 65 N 1.45 4.12 -0.10 0.60 1.01 0.50 -4.93 121.20 123.85 2yu7 s ILE 65 Ca 0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 2yu7 s ILE 65 Cb -0.18 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2yu7 s ILE 65 CO 0.01 0.48 1.49 -0.54 0.00 0.00 0.00 174.94 176.38 2yu7 s LYS 66 N 0.41 4.20 -0.24 2.79 -0.14 -1.26 -0.88 119.74 124.61 2yu7 s LYS 66 Ca -0.02 1.97 -0.07 0.00 -1.36 0.00 0.00 55.97 56.48 2yu7 s LYS 66 Cb -0.14 -3.89 -0.03 0.00 -1.68 0.00 0.00 37.83 32.09 2yu7 s LYS 66 CO 0.02 -0.79 0.07 0.08 -0.76 0.00 0.00 175.35 173.97 2yu7 s VAL 67 N 3.82 4.34 -0.21 3.17 1.01 -0.22 -4.42 120.40 127.89 2yu7 s VAL 67 Ca 0.66 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2yu7 s VAL 67 Cb -0.28 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2yu7 s VAL 67 CO 0.23 0.35 0.22 -0.04 0.00 0.00 0.00 175.10 175.86 2yu7 s MET 68 N 1.46 4.16 -0.20 2.72 -1.94 0.78 -2.36 119.30 123.92 2yu7 s MET 68 Ca 0.06 -0.11 -0.02 0.00 -1.71 0.00 0.00 55.69 53.91 2yu7 s MET 68 Cb -0.15 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.21 2yu7 s MET 68 CO 0.03 0.14 -0.11 0.00 -0.01 0.00 0.00 175.02 175.08 2yu7 s GLU 70 N 1.37 2.13 1.54 0.00 2.02 -0.89 -4.93 118.70 119.95 2yu7 s GLU 70 Ca 0.05 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.31 2yu7 s GLU 70 Cb -0.14 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.50 2yu7 s GLU 70 CO -0.07 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.59 2yu7 n GLY 71 N 4.65 0.98 1.31 -1.39 0.00 -1.26 -2.22 105.19 107.25 2yu7 n GLY 71 Ca -0.04 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 2.95 3.31 -0.02 0.00 -1.26 -5.08 105.19 105.09 2yu7 n GLY 72 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.75 1.52 0.00 1.61 0.52 -0.94 -4.37 118.95 115.55 2yu7 s ARG 73 Ca 0.36 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.70 2yu7 s ARG 73 Cb 0.38 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.81 2yu7 s ARG 73 CO -0.11 -0.44 0.02 0.71 0.02 0.00 0.00 175.30 175.50 2yu7 s TYR 74 N -3.70 0.09 0.20 -0.53 1.51 -0.97 -2.10 117.35 111.86 2yu7 s TYR 74 Ca 0.37 -0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 2yu7 s TYR 74 Cb 0.05 -0.07 -0.01 0.00 -0.11 0.00 0.00 41.96 41.82 2yu7 s TYR 74 CO 0.17 -0.12 0.34 -0.08 -1.11 0.00 0.00 175.55 174.75 2yu7 s THR 75 N -0.72 0.03 -0.23 -0.71 -1.32 0.18 -0.78 115.64 112.09 2yu7 s THR 75 Ca -0.08 -1.49 -0.04 0.00 -1.21 0.00 0.00 61.69 58.87 2yu7 s THR 75 Cb -0.05 -2.10 0.12 0.00 -1.51 0.00 0.00 72.50 68.96 2yu7 s THR 75 CO -0.00 -0.12 0.38 0.68 -2.21 0.00 0.00 174.62 173.34 2yu7 s VAL 76 N -4.02 -0.60 0.00 5.08 -7.23 -1.26 -0.15 120.40 112.22 2yu7 s VAL 76 Ca 0.23 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2yu7 s VAL 76 Cb 0.02 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.20 2yu7 s VAL 76 CO 0.06 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2yu7 n GLY 77 N 5.37 1.15 0.00 2.32 0.00 -1.26 -4.83 105.19 107.94 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 2.48 0.14 -0.02 0.00 -1.26 -5.03 105.19 101.49 2yu7 n GLY 78 Ca 0.00 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 44.01 2yu7 n GLY 78 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2yu7 h LEU 79 N 0.00 0.00 -6.07 0.99 8.10 -1.99 -3.47 115.31 112.87 2yu7 h LEU 79 Ca 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.67 2yu7 h LEU 79 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.14 2yu7 h LEU 79 CO 0.00 0.07 1.46 -1.84 -4.11 0.00 0.00 178.44 174.02 2yu7 n GLU 80 N -2.80 0.00 -3.40 0.17 0.28 -1.26 -4.81 120.64 108.82 2yu7 n GLU 80 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 2yu7 n GLU 80 Cb 0.58 -0.92 -0.06 0.00 1.43 0.00 0.00 31.44 32.47 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2yu7 s THR 81 N 2.91 4.86 0.65 3.84 -4.23 -1.25 -3.92 115.64 118.50 2yu7 s THR 81 Ca 1.01 -1.65 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 2yu7 s THR 81 Cb -0.78 -4.14 -0.01 0.00 1.34 0.00 0.00 72.50 68.92 2yu7 s THR 81 CO 0.41 -0.84 1.07 -0.36 -0.54 0.00 0.00 174.62 174.35 2yu7 s PHE 82 N 1.45 2.91 0.52 3.99 0.40 0.04 -4.71 117.98 122.58 2yu7 s PHE 82 Ca 0.05 1.50 0.20 0.00 -0.60 0.00 0.00 56.93 58.08 2yu7 s PHE 82 Cb -0.28 -3.01 1.32 0.00 0.51 0.00 0.00 43.02 41.56 2yu7 s PHE 82 CO 0.01 -1.31 2.08 -0.44 0.70 0.00 0.00 175.22 176.25 2yu7 h ASP 83 N -0.08 0.01 -5.44 1.36 3.32 -1.89 -2.57 116.42 111.12 2yu7 h ASP 83 Ca -0.46 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.80 2yu7 h ASP 83 Cb 1.22 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 2yu7 h ASP 83 CO 0.56 0.01 0.58 -0.44 -1.72 0.00 0.00 179.24 178.23 2yu7 s SER 84 N -6.66 -0.10 0.36 6.45 0.01 -1.26 -4.38 113.70 108.12 2yu7 s SER 84 Ca -0.05 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.82 2yu7 s SER 84 Cb 0.18 0.43 0.67 0.00 0.21 0.00 0.00 66.02 67.51 2yu7 s SER 84 CO 0.70 -0.81 1.94 -0.07 0.41 0.00 0.00 173.24 175.41 2yu7 h LEU 85 N 2.00 0.52 -2.03 2.44 3.38 -1.93 -0.65 115.31 119.03 2yu7 h LEU 85 Ca -0.26 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2yu7 h LEU 85 Cb 1.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2yu7 h LEU 85 CO 0.29 0.50 0.03 0.74 0.09 0.00 0.00 178.44 180.09 2yu7 h THR 86 N 0.57 0.95 0.04 0.22 2.02 -1.99 0.18 112.91 114.89 2yu7 h THR 86 Ca 0.14 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.04 2yu7 h THR 86 Cb 0.17 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2yu7 h THR 86 CO -0.01 0.00 -1.48 0.47 0.37 0.00 0.00 175.52 174.87 2yu7 n ASP 87 N -4.48 1.94 -0.17 4.18 9.92 -0.73 -2.49 116.55 124.72 2yu7 n ASP 87 Ca -0.02 0.36 0.09 0.00 -0.53 0.00 0.00 54.79 54.69 2yu7 n ASP 87 Cb 0.13 -0.94 0.40 0.00 -0.64 0.00 0.00 41.12 40.06 2yu7 n ASP 87 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2yu7 h LEU 88 N -0.70 0.58 0.04 0.64 6.46 -0.97 -1.42 115.31 119.93 2yu7 h LEU 88 Ca -0.37 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.30 2yu7 h LEU 88 Cb 1.51 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.33 2yu7 h LEU 88 CO -0.13 0.36 -0.46 0.58 -0.62 0.00 0.00 178.44 178.16 2yu7 h VAL 89 N 0.65 1.55 -1.01 1.05 2.07 -1.13 -3.26 116.25 116.17 2yu7 h VAL 89 Ca 0.32 -2.37 0.23 0.00 0.82 0.00 0.00 66.70 65.71 2yu7 h VAL 89 Cb 0.41 3.13 -0.11 0.00 -1.52 0.00 0.00 31.29 33.20 2yu7 h VAL 89 CO -0.11 0.59 0.61 -0.33 0.02 0.00 0.00 177.57 178.36 2yu7 h GLU 90 N -0.82 0.58 -0.68 1.57 4.39 -1.20 0.34 114.58 118.77 2yu7 h GLU 90 Ca -0.10 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 2yu7 h GLU 90 Cb 1.23 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 2yu7 h GLU 90 CO 0.00 0.39 0.14 1.25 -1.16 0.00 0.00 179.01 179.63 2yu7 h HIS 91 N 0.60 1.16 0.00 4.33 2.76 -1.38 -2.64 115.15 119.98 2yu7 h HIS 91 Ca 0.62 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.54 2yu7 h HIS 91 Cb 1.18 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2yu7 h HIS 91 CO -0.00 0.96 -0.46 0.74 -1.30 0.00 0.00 177.93 177.87 2yu7 h PHE 92 N 1.03 0.00 0.00 5.26 0.04 -0.68 -0.58 116.94 122.01 2yu7 h PHE 92 Ca 0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 2yu7 h PHE 92 Cb 0.40 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2yu7 h PHE 92 CO 0.03 0.46 -0.08 0.87 -0.60 0.00 0.00 178.31 178.99 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 -0.12 1.72 116.57 121.25 2yu7 h LYS 93 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 2yu7 h LYS 93 Cb 1.13 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2yu7 h LYS 93 CO 0.06 0.08 -2.19 0.36 -0.57 0.00 0.00 179.45 177.19 2yu7 n LYS 94 N -4.20 0.67 -0.07 3.15 2.85 -1.17 -4.58 118.16 114.82 2yu7 n LYS 94 Ca -0.03 0.10 -0.21 0.00 -1.05 0.00 0.00 58.31 57.12 2yu7 n LYS 94 Cb 0.16 -1.42 -0.12 0.00 -0.65 0.00 0.00 35.03 32.99 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 0.91 0.00 0.58 1.35 -1.03 -3.52 112.91 111.20 2yu7 h THR 95 Ca -0.47 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2yu7 h THR 95 Cb 1.78 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 2yu7 h THR 95 CO -0.06 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 2yu7 n GLY 96 N 1.60 0.72 3.82 5.82 0.00 0.58 -5.00 105.19 112.73 2yu7 n GLY 96 Ca -0.30 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.63 4.78 -0.23 -0.61 1.01 -0.22 -4.86 121.20 118.44 2yu7 s ILE 97 Ca 0.00 1.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.75 2yu7 s ILE 97 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 2yu7 s ILE 97 CO 0.00 0.47 -0.11 -0.70 0.00 0.00 0.00 174.94 174.60 2yu7 s GLU 98 N -1.34 2.79 0.33 2.79 2.12 -1.26 -0.12 118.70 124.00 2yu7 s GLU 98 Ca 0.31 -0.99 -0.27 0.00 0.36 0.00 0.00 54.97 54.38 2yu7 s GLU 98 Cb -0.18 -2.84 -0.09 0.00 0.26 0.00 0.00 34.13 31.28 2yu7 s GLU 98 CO 0.19 -0.37 1.08 -1.21 -0.54 0.00 0.00 175.26 174.41 2yu7 s GLU 99 N 1.28 4.43 0.00 4.30 2.02 0.85 -4.90 118.70 126.68 2yu7 s GLU 99 Ca 0.00 1.68 0.05 0.00 0.02 0.00 0.00 54.97 56.73 2yu7 s GLU 99 Cb -0.16 -2.92 0.23 0.00 0.10 0.00 0.00 34.13 31.38 2yu7 s GLU 99 CO -0.07 0.06 1.12 0.00 0.02 0.00 0.00 175.26 176.39 2yu7 n ALA 100 N 0.66 1.28 0.12 5.21 0.00 -1.26 -1.07 120.51 125.45 2yu7 n ALA 100 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2yu7 n ALA 100 Cb 0.47 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.86 2yu7 n ALA 100 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2yu7 h SER 101 N 0.00 0.00 0.00 0.00 0.02 -2.05 -3.47 113.55 108.05 2yu7 h SER 101 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2yu7 h SER 101 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2yu7 h SER 101 CO 0.00 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 2yu7 n GLY 102 N 1.20 1.89 3.70 -3.77 0.00 -0.23 -5.14 105.19 102.85 2yu7 n GLY 102 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2yu7 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu7 s ALA 103 N -2.00 3.42 -0.05 4.61 0.00 -1.22 -4.94 121.76 121.58 2yu7 s ALA 103 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.04 2yu7 s ALA 103 Cb 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.59 2yu7 s ALA 103 CO 0.00 0.00 -0.02 -0.06 0.00 0.00 0.00 175.76 175.68 2yu7 s PHE 104 N -2.49 0.65 -0.28 0.00 0.08 -1.26 -0.10 117.98 114.58 2yu7 s PHE 104 Ca 0.37 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.22 2yu7 s PHE 104 Cb -0.01 -0.66 0.02 0.00 -0.57 0.00 0.00 43.02 41.81 2yu7 s PHE 104 CO 0.22 -0.22 0.02 0.08 -0.10 0.00 0.00 175.22 175.22 2yu7 s VAL 105 N 1.21 3.46 -0.18 -0.44 1.01 0.82 -4.96 120.40 121.32 2yu7 s VAL 105 Ca -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2yu7 s VAL 105 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2yu7 s VAL 105 CO -0.02 0.09 0.13 -0.31 0.00 0.00 0.00 175.10 174.99 2yu7 s TYR 106 N 1.41 3.44 -0.29 5.22 2.02 -1.26 -1.06 117.35 126.83 2yu7 s TYR 106 Ca 0.01 0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 57.00 2yu7 s TYR 106 Cb -0.17 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2yu7 s TYR 106 CO -0.00 0.39 0.07 -0.51 -1.57 0.00 0.00 175.55 173.92 2yu7 s LEU 107 N 0.03 3.81 0.00 -1.29 1.43 -1.26 -4.45 118.68 116.95 2yu7 s LEU 107 Ca 0.09 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2yu7 s LEU 107 Cb -0.11 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2yu7 s LEU 107 CO -0.00 -0.19 0.00 0.54 0.23 0.00 0.00 176.35 176.92 2yu7 n ARG 108 N 4.84 0.63 -3.44 1.70 1.74 -0.73 -4.32 116.66 117.09 2yu7 n ARG 108 Ca -0.15 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 2yu7 n ARG 108 Cb 0.48 -0.76 -0.07 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.51 2.76 -0.76 5.56 -0.21 -0.97 -5.02 119.66 119.50 2yu7 s GLN 109 Ca 0.00 -1.79 -0.25 0.00 0.02 0.00 0.00 55.36 53.34 2yu7 s GLN 109 Cb 0.00 -4.12 -0.03 0.00 1.00 0.00 0.00 33.01 29.86 2yu7 s GLN 109 CO 0.00 -1.26 1.90 -1.25 -2.12 0.00 0.00 175.29 172.56 2yu7 s PRO 110 N 1.39 2.59 -0.29 2.91 0.04 -1.26 -2.18 135.00 138.20 2yu7 s PRO 110 Ca 0.05 0.15 -0.33 0.00 0.04 0.00 0.00 61.00 60.91 2yu7 s PRO 110 Cb -0.27 -4.73 -0.09 0.00 0.04 0.00 0.00 34.50 29.44 2yu7 s PRO 110 CO 0.01 -3.06 2.19 0.98 0.04 0.00 0.00 177.00 177.15 2yu7 n TYR 111 N 13.37 1.77 -0.00 0.56 9.36 0.20 -4.72 117.16 137.69 2yu7 n TYR 111 Ca 0.30 0.12 -0.00 0.00 3.32 0.00 0.00 57.90 61.65 2yu7 n TYR 111 Cb 0.49 -2.61 -0.00 0.00 -0.63 0.00 0.00 39.34 36.60 2yu7 n TYR 111 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2yu7 h TYR 112 N 13.17 0.00 -1.47 2.98 0.05 -1.86 -3.40 116.97 126.43 2yu7 h TYR 112 Ca -0.33 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.55 2yu7 h TYR 112 Cb 1.29 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.76 2yu7 h TYR 112 CO 0.95 0.00 0.58 0.45 -1.05 0.00 0.00 178.16 179.09 2yu7 s SER 113 N -3.18 -0.34 0.37 3.88 0.15 -1.26 -4.66 113.70 108.66 2yu7 s SER 113 Ca -0.00 0.57 -0.25 0.00 0.70 0.00 0.00 55.95 56.97 2yu7 s SER 113 Cb 0.00 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.77 2yu7 s SER 113 CO 0.00 -0.17 1.05 -0.83 1.20 0.00 0.00 173.24 174.49 2yu7 s GLY 114 N -0.22 2.79 0.15 9.45 0.00 -1.26 -4.97 107.32 113.26 2yu7 s GLY 114 Ca 0.03 0.71 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 2yu7 s GLY 114 CO -0.06 1.16 1.48 -0.56 0.00 0.00 0.00 173.10 175.13 2yu7 h PRO 115 N 2.75 0.92 -6.47 2.90 0.13 -2.01 -3.45 132.00 126.76 2yu7 h PRO 115 Ca -0.48 -0.48 -0.58 0.00 -0.87 0.00 0.00 66.00 63.59 2yu7 h PRO 115 Cb 1.21 0.02 0.18 0.00 0.13 0.00 0.00 31.00 32.54 2yu7 h PRO 115 CO 0.63 1.14 -0.50 0.43 -0.23 0.00 0.00 178.00 179.47 2yu7 n SER 116 N -4.05 -1.43 -0.06 1.44 7.64 -1.26 -4.95 113.62 110.94 2yu7 n SER 116 Ca -0.02 0.69 -0.03 0.00 1.01 0.00 0.00 58.87 60.52 2yu7 n SER 116 Cb 0.55 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 2yu7 n SER 116 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yu7 h SER 117 N 0.08 0.00 0.00 6.43 0.87 -2.05 -3.54 113.55 115.33 2yu7 h SER 117 Ca -0.45 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2yu7 h SER 117 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2yu7 h SER 117 CO 0.45 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 178.01