#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm7 s LYS 2 N 0.00 0.39 -0.14 3.17 2.20 -0.71 -4.95 119.74 119.71 1pm7 s LYS 2 Ca 0.00 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.71 1pm7 s LYS 2 Cb 0.00 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1pm7 s LYS 2 CO 0.00 -0.23 -0.16 0.00 -0.36 0.00 0.00 175.35 174.60 1pm7 s ALA 3 N 2.49 2.47 -0.19 3.13 0.00 -1.26 -0.63 121.76 127.78 1pm7 s ALA 3 Ca -0.04 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1pm7 s ALA 3 Cb -0.11 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.91 1pm7 s ALA 3 CO -0.14 0.08 -0.01 0.50 0.00 0.00 0.00 175.76 176.19 1pm7 s ARG 4 N 0.64 1.09 0.26 0.00 3.52 -0.04 -4.97 118.95 119.45 1pm7 s ARG 4 Ca -0.09 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 1pm7 s ARG 4 Cb -0.16 -2.12 -0.10 0.00 -1.56 0.00 0.00 34.95 31.01 1pm7 s ARG 4 CO 0.03 -0.55 1.42 -2.00 -0.81 0.00 0.00 175.30 173.39 1pm7 s GLU 5 N 1.70 4.28 1.04 5.12 2.12 -1.26 -0.77 118.70 130.92 1pm7 s GLU 5 Ca -0.01 2.29 -0.17 0.00 0.36 0.00 0.00 54.97 57.44 1pm7 s GLU 5 Cb -0.17 -3.10 0.22 0.00 0.26 0.00 0.00 34.13 31.34 1pm7 s GLU 5 CO -0.07 -0.39 1.24 -0.51 -0.54 0.00 0.00 175.26 174.98 1pm7 s LEU 6 N -0.59 1.99 0.42 2.70 1.43 0.62 -4.88 118.68 120.37 1pm7 s LEU 6 Ca 0.58 0.44 0.29 0.00 -1.03 0.00 0.00 54.13 54.41 1pm7 s LEU 6 Cb -0.42 -2.41 1.11 0.00 0.03 0.00 0.00 46.19 44.50 1pm7 s LEU 6 CO 0.45 -3.17 1.85 0.44 0.23 0.00 0.00 176.35 176.14 1pm7 h ASP 7 N -1.94 0.00 -3.58 2.29 3.32 -1.93 -3.36 116.42 111.22 1pm7 h ASP 7 Ca -0.45 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.96 1pm7 h ASP 7 Cb 1.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.67 1pm7 h ASP 7 CO 0.39 0.00 0.18 -0.69 -1.72 0.00 0.00 179.24 177.40 1pm7 s VAL 8 N -3.47 4.82 0.35 -1.35 1.01 -1.26 -5.01 120.40 115.49 1pm7 s VAL 8 Ca 0.03 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 1pm7 s VAL 8 Cb 0.09 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1pm7 s VAL 8 CO 0.51 -0.48 1.50 -2.84 0.00 0.00 0.00 175.10 173.79 1pm7 s PRO 9 N 2.86 4.12 0.00 2.72 0.02 -1.26 -2.88 135.00 140.58 1pm7 s PRO 9 Ca 0.25 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1pm7 s PRO 9 Cb -0.14 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1pm7 s PRO 9 CO 0.18 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 1pm7 n GLY 10 N 0.88 0.69 3.13 0.52 0.00 -1.26 -5.02 105.19 104.14 1pm7 n GLY 10 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1pm7 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm7 s ALA 11 N -2.26 1.26 0.00 4.61 0.00 -1.14 -2.12 121.76 122.11 1pm7 s ALA 11 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1pm7 s ALA 11 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1pm7 s ALA 11 CO 0.00 0.30 -0.05 -1.58 0.00 0.00 0.00 175.76 174.43 1pm7 s TRP 12 N -0.44 0.41 -0.22 0.00 0.51 -0.66 -0.28 118.94 118.27 1pm7 s TRP 12 Ca 0.05 -0.12 -0.16 0.00 -2.12 0.00 0.00 56.10 53.76 1pm7 s TRP 12 Cb -0.06 -0.26 -0.04 0.00 -0.81 0.00 0.00 33.47 32.30 1pm7 s TRP 12 CO -0.00 -0.02 0.39 -2.00 -0.51 0.00 0.00 176.95 174.81 1pm7 s GLU 13 N -0.26 4.12 -0.17 4.98 2.12 0.05 -0.99 118.70 128.55 1pm7 s GLU 13 Ca 0.00 0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 1pm7 s GLU 13 Cb -0.03 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1pm7 s GLU 13 CO -0.00 -0.11 -0.05 0.42 -0.54 0.00 0.00 175.26 174.97 1pm7 s ILE 14 N 1.55 3.60 -0.15 -3.70 1.09 0.84 -0.86 121.20 123.57 1pm7 s ILE 14 Ca 0.18 -0.44 -0.02 0.00 -1.10 0.00 0.00 60.65 59.26 1pm7 s ILE 14 Cb -0.15 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.64 1pm7 s ILE 14 CO 0.08 0.47 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.43 1pm7 s THR 15 N 0.75 3.55 0.52 2.92 2.01 0.20 -0.40 115.64 125.20 1pm7 s THR 15 Ca -0.02 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1pm7 s THR 15 Cb -0.15 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1pm7 s THR 15 CO 0.02 0.50 0.84 -2.16 -0.69 0.00 0.00 174.62 173.13 1pm7 s PRO 16 N 0.45 3.48 -0.29 4.92 0.04 -1.26 -1.73 135.00 140.62 1pm7 s PRO 16 Ca -0.06 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 1pm7 s PRO 16 Cb -0.15 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1pm7 s PRO 16 CO 0.04 -0.32 1.00 0.99 0.04 0.00 0.00 177.00 178.75 1pm7 s THR 17 N -2.84 4.63 -0.34 1.26 2.01 -1.26 -4.81 115.64 114.29 1pm7 s THR 17 Ca 0.49 1.73 -0.10 0.00 0.31 0.00 0.00 61.69 64.12 1pm7 s THR 17 Cb -0.10 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.09 1pm7 s THR 17 CO 0.46 -0.33 0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 1pm7 s ILE 18 N 3.35 4.58 -0.22 1.82 1.01 -1.26 -4.53 121.20 125.96 1pm7 s ILE 18 Ca 0.42 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 1pm7 s ILE 18 Cb -0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1pm7 s ILE 18 CO 0.12 -0.08 0.76 -1.00 0.00 0.00 0.00 174.94 174.73 1pm7 s HIS 19 N 1.58 3.35 -0.08 3.97 3.76 -0.36 -4.96 115.29 122.56 1pm7 s HIS 19 Ca 0.03 1.07 0.03 0.00 -0.15 0.00 0.00 55.06 56.05 1pm7 s HIS 19 Cb -0.18 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.54 1pm7 s HIS 19 CO 0.06 -0.30 -0.16 0.08 -0.85 0.00 0.00 174.74 173.57 1pm7 s VAL 20 N 2.41 2.82 0.00 -0.90 1.01 -1.26 -1.17 120.40 123.31 1pm7 s VAL 20 Ca 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1pm7 s VAL 20 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1pm7 s VAL 20 CO 0.09 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 174.86 1pm7 n ASP 21 N 2.86 0.00 0.22 3.32 5.68 -0.22 -5.01 116.55 123.39 1pm7 n ASP 21 Ca -0.18 -0.63 0.08 0.00 -0.50 0.00 0.00 54.79 53.56 1pm7 n ASP 21 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.97 1pm7 n ASP 21 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1pm7 h SER 22 N 0.00 0.00 1.22 -1.12 4.64 -2.04 -2.58 113.55 113.67 1pm7 h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pm7 h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pm7 h SER 22 CO 0.00 0.27 0.00 0.03 -0.87 0.00 0.00 176.83 176.26 1pm7 h ARG 23 N 0.00 0.00 0.00 4.77 3.08 -2.01 -3.49 114.38 116.73 1pm7 h ARG 23 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pm7 h ARG 23 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1pm7 h ARG 23 CO 0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1pm7 n GLY 24 N 0.63 0.21 3.37 0.04 0.00 -0.97 -5.10 105.19 103.36 1pm7 n GLY 24 Ca 0.03 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1pm7 n GLY 24 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pm7 s LEU 25 N 0.00 0.63 0.01 0.99 0.05 -1.26 -1.06 118.68 118.04 1pm7 s LEU 25 Ca 0.00 -0.59 -0.17 0.00 0.05 0.00 0.00 54.13 53.42 1pm7 s LEU 25 Cb 0.00 1.61 0.03 0.00 -2.05 0.00 0.00 46.19 45.78 1pm7 s LEU 25 CO 0.00 -0.91 0.38 0.72 -0.55 0.00 0.00 176.35 175.99 1pm7 s PHE 26 N -3.88 -0.25 0.14 3.48 -0.12 -0.32 -5.01 117.98 112.02 1pm7 s PHE 26 Ca 0.09 0.30 -0.19 0.00 -0.05 0.00 0.00 56.93 57.09 1pm7 s PHE 26 Cb 0.02 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1pm7 s PHE 26 CO -0.05 -0.49 0.48 -0.59 -0.05 0.00 0.00 175.22 174.51 1pm7 s PHE 27 N -1.87 -0.32 -0.52 3.49 -0.71 -1.26 -1.22 117.98 115.57 1pm7 s PHE 27 Ca -0.09 0.04 -0.29 0.00 -1.04 0.00 0.00 56.93 55.55 1pm7 s PHE 27 Cb -0.03 0.37 0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1pm7 s PHE 27 CO 0.02 -0.76 1.23 -1.21 -1.34 0.00 0.00 175.22 173.16 1pm7 s GLU 28 N -3.79 3.57 0.06 1.99 2.02 -1.26 -4.93 118.70 116.36 1pm7 s GLU 28 Ca 0.02 0.48 -0.17 0.00 0.02 0.00 0.00 54.97 55.33 1pm7 s GLU 28 Cb 0.01 -3.99 -0.14 0.00 0.10 0.00 0.00 34.13 30.11 1pm7 s GLU 28 CO -0.12 -1.60 1.33 2.35 0.02 0.00 0.00 175.26 177.24 1pm7 h TRP 29 N 9.80 0.70 -3.85 1.61 7.01 -1.99 -3.45 115.95 125.77 1pm7 h TRP 29 Ca -0.25 -0.25 -0.27 0.00 2.11 0.00 0.00 58.89 60.23 1pm7 h TRP 29 Cb 1.07 -0.13 -0.27 0.00 -2.10 0.00 0.00 29.16 27.73 1pm7 h TRP 29 CO 1.01 0.98 -0.74 -1.17 -2.79 0.00 0.00 178.44 175.73 1pm7 s LEU 30 N -8.84 2.04 0.03 0.65 0.20 -1.26 -5.05 118.68 106.45 1pm7 s LEU 30 Ca -0.13 -0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.62 1pm7 s LEU 30 Cb 0.07 -0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.67 1pm7 s LEU 30 CO 0.81 -0.01 -0.15 0.42 -0.29 0.00 0.00 176.35 177.13 1pm7 s THR 31 N -0.27 1.22 0.10 3.68 -4.23 -1.26 -5.05 115.64 109.83 1pm7 s THR 31 Ca -0.01 -0.99 -0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1pm7 s THR 31 Cb -0.02 -1.08 -0.11 0.00 1.34 0.00 0.00 72.50 72.63 1pm7 s THR 31 CO -0.00 0.08 1.68 -0.78 -0.54 0.00 0.00 174.62 175.06 1pm7 h ASP 32 N 5.03 -0.39 -0.86 3.99 3.58 -1.99 -1.01 116.42 124.76 1pm7 h ASP 32 Ca -0.38 0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.24 1pm7 h ASP 32 Cb 1.17 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 42.28 1pm7 h ASP 32 CO 0.44 -0.21 0.48 1.12 -2.88 0.00 0.00 179.24 178.19 1pm7 h HIS 33 N -0.29 0.85 -0.17 0.28 2.07 -2.00 -1.36 115.15 114.54 1pm7 h HIS 33 Ca 0.02 0.03 -0.14 0.00 -2.85 0.00 0.00 60.37 57.43 1pm7 h HIS 33 Cb 0.30 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1pm7 h HIS 33 CO -0.15 0.27 -0.46 0.78 -3.07 0.00 0.00 177.93 175.31 1pm7 h GLY 34 N 0.73 0.67 0.80 6.13 0.00 -1.93 -3.17 103.07 106.30 1pm7 h GLY 34 Ca 0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1pm7 h GLY 34 CO -0.31 0.76 -0.07 -2.75 0.00 0.00 0.00 176.54 174.16 1pm7 h PHE 35 N 0.28 -0.19 -1.20 5.60 3.57 -0.80 -2.96 116.94 121.24 1pm7 h PHE 35 Ca -0.01 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.83 1pm7 h PHE 35 Cb 1.07 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 1pm7 h PHE 35 CO 0.10 0.05 0.83 0.00 -2.23 0.00 0.00 178.31 177.06 1pm7 h ARG 36 N -0.41 0.11 -0.86 1.11 3.08 -1.35 -0.66 114.38 115.40 1pm7 h ARG 36 Ca -0.02 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1pm7 h ARG 36 Cb 0.32 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1pm7 h ARG 36 CO 0.03 0.07 0.56 0.00 -1.07 0.00 0.00 179.97 179.56 1pm7 h ALA 37 N 1.46 1.11 0.00 0.04 0.00 -1.48 0.74 119.26 121.12 1pm7 h ALA 37 Ca 0.61 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 55.16 1pm7 h ALA 37 Cb 2.17 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1pm7 h ALA 37 CO -0.11 0.43 -2.18 1.97 0.00 0.00 0.00 179.25 179.36 1pm7 n PHE 38 N -4.52 0.00 0.14 0.00 1.16 -0.90 -4.47 117.46 108.86 1pm7 n PHE 38 Ca 0.10 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.69 1pm7 n PHE 38 Cb 0.06 -0.79 0.14 0.00 -1.61 0.00 0.00 39.48 37.27 1pm7 n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pm7 h ALA 39 N -0.06 0.79 0.00 1.98 0.00 -1.25 -3.47 119.26 117.25 1pm7 h ALA 39 Ca -0.47 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1pm7 h ALA 39 Cb 1.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1pm7 h ALA 39 CO -0.09 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1pm7 n GLY 40 N 0.66 0.97 3.62 0.00 0.00 0.25 -4.98 105.19 105.70 1pm7 n GLY 40 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1pm7 n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pm7 s HIS 41 N -3.68 0.41 0.18 1.61 -3.43 -1.25 -4.90 115.29 104.23 1pm7 s HIS 41 Ca 0.00 -0.79 -0.29 0.00 -0.80 0.00 0.00 55.06 53.19 1pm7 s HIS 41 Cb 0.00 0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 31.32 1pm7 s HIS 41 CO 0.00 -1.09 0.89 -1.12 -2.00 0.00 0.00 174.74 171.42 1pm7 s SER 42 N -3.05 7.53 -0.24 7.38 0.01 -1.26 -3.75 113.70 120.31 1pm7 s SER 42 Ca 0.22 1.81 -0.29 0.00 1.31 0.00 0.00 55.95 59.00 1pm7 s SER 42 Cb -0.01 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1pm7 s SER 42 CO 0.11 0.12 1.43 -0.22 0.41 0.00 0.00 173.24 175.08 1pm7 s LEU 43 N -0.88 3.94 -0.60 2.44 2.96 -1.26 -4.98 118.68 120.31 1pm7 s LEU 43 Ca 0.41 1.46 -0.23 0.00 -0.22 0.00 0.00 54.13 55.55 1pm7 s LEU 43 Cb -0.24 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.96 1pm7 s LEU 43 CO 0.30 -1.10 0.94 -0.62 -1.32 0.00 0.00 176.35 174.55 1pm7 s ASP 44 N 3.23 6.26 -0.46 3.68 2.15 -1.26 -5.00 116.67 125.27 1pm7 s ASP 44 Ca 0.62 -0.65 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 1pm7 s ASP 44 Cb -0.21 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1pm7 s ASP 44 CO 0.24 -1.30 0.94 -0.69 -0.17 0.00 0.00 175.17 174.19 1pm7 s VAL 45 N 3.94 4.46 -0.61 1.11 1.01 -1.26 -3.72 120.40 125.33 1pm7 s VAL 45 Ca 0.26 0.81 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1pm7 s VAL 45 Cb -0.15 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1pm7 s VAL 45 CO 0.15 -0.83 0.48 0.54 0.00 0.00 0.00 175.10 175.44 1pm7 n ARG 46 N 7.19 3.13 -3.56 2.72 1.74 -0.14 -5.00 116.66 122.74 1pm7 n ARG 46 Ca 0.07 -0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 56.67 1pm7 n ARG 46 Cb 0.48 -0.97 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 1pm7 n ARG 46 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pm7 s GLN 47 N -1.47 0.97 -0.10 5.56 0.74 -0.98 -4.48 119.66 119.90 1pm7 s GLN 47 Ca 0.05 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1pm7 s GLN 47 Cb 0.07 0.46 0.02 0.00 1.10 0.00 0.00 33.01 34.66 1pm7 s GLN 47 CO 0.27 -0.25 -0.09 0.08 -0.55 0.00 0.00 175.29 174.75 1pm7 s VAL 48 N -0.67 1.04 0.16 1.34 1.01 -1.26 0.04 120.40 122.06 1pm7 s VAL 48 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1pm7 s VAL 48 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1pm7 s VAL 48 CO 0.07 0.36 0.19 0.20 0.00 0.00 0.00 175.10 175.91 1pm7 s ASN 49 N 1.41 5.77 -0.01 3.32 0.01 0.08 -4.92 114.94 120.59 1pm7 s ASN 49 Ca -0.01 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1pm7 s ASN 49 Cb -0.13 -1.58 0.01 0.00 0.41 0.00 0.00 41.25 39.95 1pm7 s ASN 49 CO -0.05 0.06 -0.02 0.00 -1.51 0.00 0.00 177.10 175.58 1pm7 s SER 51 N 0.38 0.27 -0.08 0.00 1.04 0.11 -4.98 113.70 110.44 1pm7 s SER 51 Ca -0.04 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1pm7 s SER 51 Cb -0.06 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1pm7 s SER 51 CO -0.01 -0.41 -0.16 -0.69 0.98 0.00 0.00 173.24 172.95 1pm7 s VAL 52 N -2.24 1.49 0.01 5.02 1.01 -1.26 0.25 120.40 124.68 1pm7 s VAL 52 Ca -0.09 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1pm7 s VAL 52 Cb -0.04 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1pm7 s VAL 52 CO -0.04 0.43 -0.18 -0.44 0.00 0.00 0.00 175.10 174.88 1pm7 s SER 53 N 0.61 2.09 0.71 3.32 0.01 0.28 -4.93 113.70 115.79 1pm7 s SER 53 Ca -0.15 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 1pm7 s SER 53 Cb -0.16 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.88 1pm7 s SER 53 CO 0.05 0.17 1.09 -0.94 0.41 0.00 0.00 173.24 174.02 1pm7 s SER 54 N -0.71 5.42 0.16 2.44 1.04 -1.26 -2.22 113.70 118.57 1pm7 s SER 54 Ca 0.06 1.17 -0.34 0.00 0.48 0.00 0.00 55.95 57.32 1pm7 s SER 54 Cb -0.07 -1.97 -0.16 0.00 0.10 0.00 0.00 66.02 63.91 1pm7 s SER 54 CO 0.00 -1.36 1.22 0.00 0.98 0.00 0.00 173.24 174.08 1pm7 n ALA 55 N -3.02 -0.72 -0.45 5.32 0.00 -1.15 -2.90 120.51 117.59 1pm7 n ALA 55 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1pm7 n ALA 55 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1pm7 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pm7 n GLY 56 N 2.15 0.74 3.70 0.00 0.00 -0.70 -4.92 105.19 106.16 1pm7 n GLY 56 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1pm7 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pm7 s VAL 57 N -2.71 5.02 -0.16 1.61 1.01 -1.14 -0.29 120.40 123.73 1pm7 s VAL 57 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1pm7 s VAL 57 Cb 0.00 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1pm7 s VAL 57 CO 0.00 0.20 -0.20 -0.22 0.00 0.00 0.00 175.10 174.89 1pm7 s LEU 58 N 1.11 2.18 -0.19 3.92 0.20 0.32 -1.50 118.68 124.72 1pm7 s LEU 58 Ca 0.37 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.59 1pm7 s LEU 58 Cb -0.17 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1pm7 s LEU 58 CO 0.17 0.04 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.96 1pm7 s ARG 59 N 1.05 3.06 0.00 1.98 0.52 -0.76 -4.54 118.95 120.26 1pm7 s ARG 59 Ca -0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1pm7 s ARG 59 Cb -0.14 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1pm7 s ARG 59 CO -0.07 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.46 1pm7 n GLY 60 N 4.63 0.89 3.75 -3.53 0.00 -1.26 -1.76 105.19 107.90 1pm7 n GLY 60 Ca -0.20 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.34 1pm7 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm7 s LEU 61 N 0.00 4.47 0.02 0.99 1.43 -0.84 -4.40 118.68 120.35 1pm7 s LEU 61 Ca 0.00 1.50 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 1pm7 s LEU 61 Cb 0.00 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 1pm7 s LEU 61 CO 0.00 0.02 -0.20 -1.00 0.23 0.00 0.00 176.35 175.40 1pm7 s HIS 62 N -0.14 2.52 0.06 0.29 3.76 -0.51 -0.95 115.29 120.32 1pm7 s HIS 62 Ca 0.39 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1pm7 s HIS 62 Cb -0.21 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 1pm7 s HIS 62 CO 0.24 0.19 0.13 -0.59 -0.85 0.00 0.00 174.74 173.85 1pm7 s PHE 63 N -0.84 0.21 -0.13 1.40 -0.12 -0.81 -1.22 117.98 116.47 1pm7 s PHE 63 Ca 0.13 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.41 1pm7 s PHE 63 Cb -0.10 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1pm7 s PHE 63 CO 0.03 -0.45 -0.07 0.00 -0.05 0.00 0.00 175.22 174.68 1pm7 s ALA 64 N -3.29 2.89 0.13 1.99 0.00 -1.26 -1.22 121.76 121.00 1pm7 s ALA 64 Ca 0.01 -0.85 -0.34 0.00 0.00 0.00 0.00 51.96 50.77 1pm7 s ALA 64 Cb 0.03 -1.39 -0.17 0.00 0.00 0.00 0.00 23.12 21.59 1pm7 s ALA 64 CO -0.08 0.31 1.05 0.94 0.00 0.00 0.00 175.76 177.98 1pm7 n GLN 65 N 3.23 0.68 -1.61 0.00 7.27 -0.29 -4.42 117.38 122.24 1pm7 n GLN 65 Ca -0.18 0.24 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 1pm7 n GLN 65 Cb 0.53 -1.67 0.14 0.00 2.41 0.00 0.00 30.24 31.65 1pm7 n GLN 65 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1pm7 s LEU 66 N 0.86 2.08 0.00 1.69 2.96 -1.26 -1.17 118.68 123.83 1pm7 s LEU 66 Ca 0.77 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1pm7 s LEU 66 Cb -0.98 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 42.63 1pm7 s LEU 66 CO 0.54 -2.59 0.00 -2.65 -1.32 0.00 0.00 176.35 170.32 1pm7 n PRO 67 N -3.77 0.00 -0.46 0.98 -0.01 -1.26 -4.71 135.00 125.77 1pm7 n PRO 67 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 63.50 63.65 1pm7 n PRO 67 Cb 0.60 0.00 0.27 0.00 -0.01 0.00 0.00 33.50 34.36 1pm7 n PRO 67 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 1pm7 n PRO 68 N 0.97 3.30 0.00 0.52 -0.04 -1.26 -5.12 135.00 133.37 1pm7 n PRO 68 Ca 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1pm7 n PRO 68 Cb 0.00 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1pm7 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pm7 n SER 69 N 0.26 -2.82 -3.39 3.54 2.88 -0.32 -4.79 113.62 108.98 1pm7 n SER 69 Ca 0.21 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.60 1pm7 n SER 69 Cb 0.80 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.17 1pm7 n SER 69 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1pm7 s GLN 70 N 0.00 0.32 0.47 -1.46 0.74 -1.26 -4.51 119.66 113.95 1pm7 s GLN 70 Ca 0.00 0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.27 1pm7 s GLN 70 Cb 0.00 -0.67 -0.10 0.00 1.10 0.00 0.00 33.01 33.34 1pm7 s GLN 70 CO 0.00 -0.91 0.97 0.00 -0.55 0.00 0.00 175.29 174.79 1pm7 s ALA 71 N 2.41 3.05 -0.04 1.58 0.00 -1.26 -4.59 121.76 122.91 1pm7 s ALA 71 Ca 0.10 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1pm7 s ALA 71 Cb -0.14 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1pm7 s ALA 71 CO -0.27 -0.03 -0.03 0.15 0.00 0.00 0.00 175.76 175.58 1pm7 s LYS 72 N -3.55 0.62 -0.33 0.00 1.02 -0.13 -1.83 119.74 115.54 1pm7 s LYS 72 Ca 0.61 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 56.54 1pm7 s LYS 72 Cb -0.10 -0.70 0.06 0.00 -0.52 0.00 0.00 37.83 36.58 1pm7 s LYS 72 CO 0.21 -0.10 0.05 -0.47 -0.92 0.00 0.00 175.35 174.12 1pm7 s TYR 73 N 0.96 3.35 -0.06 3.18 5.04 -0.67 0.44 117.35 129.57 1pm7 s TYR 73 Ca -0.11 -1.98 0.05 0.00 -2.44 0.00 0.00 57.07 52.59 1pm7 s TYR 73 Cb -0.14 -2.38 -0.00 0.00 0.35 0.00 0.00 41.96 39.79 1pm7 s TYR 73 CO -0.01 -0.84 -0.21 0.08 -1.34 0.00 0.00 175.55 173.24 1pm7 s VAL 74 N 1.23 1.74 0.00 3.14 1.01 0.24 -1.53 120.40 126.24 1pm7 s VAL 74 Ca -0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1pm7 s VAL 74 Cb -0.20 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1pm7 s VAL 74 CO -0.02 0.49 0.20 0.28 0.00 0.00 0.00 175.10 176.06 1pm7 s THR 75 N 0.09 0.08 -0.30 3.92 -1.32 -0.69 -1.49 115.64 115.92 1pm7 s THR 75 Ca -0.08 -0.65 -0.12 0.00 -1.21 0.00 0.00 61.69 59.64 1pm7 s THR 75 Cb -0.14 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1pm7 s THR 75 CO 0.04 -0.36 0.21 0.00 -2.21 0.00 0.00 174.62 172.30 1pm7 n VAL 77 N 5.07 0.00 -3.61 0.00 0.24 -0.61 -3.86 118.33 115.56 1pm7 n VAL 77 Ca -0.14 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 61.69 1pm7 n VAL 77 Cb 0.51 1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 34.04 1pm7 n VAL 77 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1pm7 s SER 78 N -2.07 -0.59 0.66 -1.34 1.04 -1.25 -4.79 113.70 105.36 1pm7 s SER 78 Ca 0.16 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1pm7 s SER 78 Cb 0.15 0.79 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1pm7 s SER 78 CO 0.45 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1pm7 n GLY 79 N 1.66 1.43 3.52 7.32 0.00 -1.25 -1.75 105.19 116.12 1pm7 n GLY 79 Ca -0.17 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1pm7 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pm7 s SER 80 N -4.00 -0.64 0.09 1.61 1.04 -1.26 -2.38 113.70 108.16 1pm7 s SER 80 Ca 0.00 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.67 1pm7 s SER 80 Cb 0.00 1.19 -0.03 0.00 0.10 0.00 0.00 66.02 67.28 1pm7 s SER 80 CO 0.00 -0.25 -0.14 0.68 0.98 0.00 0.00 173.24 174.51 1pm7 s VAL 81 N 0.18 1.16 -0.39 5.02 -7.23 -0.07 -0.73 120.40 118.34 1pm7 s VAL 81 Ca -0.01 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1pm7 s VAL 81 Cb -0.04 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.68 1pm7 s VAL 81 CO 0.02 -0.31 0.43 0.12 -0.31 0.00 0.00 175.10 175.04 1pm7 s PHE 82 N -1.62 3.18 -0.14 2.82 5.36 -0.34 -1.19 117.98 126.06 1pm7 s PHE 82 Ca 0.02 -0.20 -0.05 0.00 -0.96 0.00 0.00 56.93 55.75 1pm7 s PHE 82 Cb -0.08 -2.84 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 1pm7 s PHE 82 CO 0.02 -0.60 0.02 0.34 -1.46 0.00 0.00 175.22 173.54 1pm7 s ASP 83 N 1.79 5.36 -0.05 6.13 2.15 0.04 -1.36 116.67 130.72 1pm7 s ASP 83 Ca 0.13 0.08 0.05 0.00 0.43 0.00 0.00 52.55 53.24 1pm7 s ASP 83 Cb -0.17 -1.76 -0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1pm7 s ASP 83 CO 0.13 0.26 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.51 1pm7 s VAL 84 N -0.17 1.62 -0.06 1.11 1.01 0.12 -0.98 120.40 123.04 1pm7 s VAL 84 Ca 0.06 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1pm7 s VAL 84 Cb -0.12 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1pm7 s VAL 84 CO 0.02 0.46 -0.14 0.54 0.00 0.00 0.00 175.10 175.98 1pm7 s VAL 85 N 0.04 3.12 -0.03 2.92 0.11 -0.48 -1.03 120.40 125.05 1pm7 s VAL 85 Ca -0.05 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.35 1pm7 s VAL 85 Cb -0.13 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.48 1pm7 s VAL 85 CO 0.03 0.58 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.52 1pm7 s VAL 86 N -0.61 1.41 -0.59 2.04 1.01 -0.13 -1.89 120.40 121.64 1pm7 s VAL 86 Ca 0.09 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1pm7 s VAL 86 Cb -0.11 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1pm7 s VAL 86 CO 0.01 0.40 0.97 -0.62 0.00 0.00 0.00 175.10 175.86 1pm7 s ASP 87 N -0.17 6.29 -0.08 3.32 -1.08 -0.12 -1.74 116.67 123.09 1pm7 s ASP 87 Ca 0.01 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.66 1pm7 s ASP 87 Cb -0.09 -2.44 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 1pm7 s ASP 87 CO 0.01 -1.32 1.37 2.30 0.52 0.00 0.00 175.17 178.05 1pm7 n ILE 88 N 6.14 1.57 -2.91 4.11 -5.35 -1.26 -0.78 119.36 120.88 1pm7 n ILE 88 Ca 0.00 -1.33 -0.43 0.00 -0.27 0.00 0.00 62.75 60.72 1pm7 n ILE 88 Cb 0.47 0.18 -0.04 0.00 -1.74 0.00 0.00 39.64 38.51 1pm7 n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1pm7 s ARG 89 N -1.76 3.13 0.12 6.28 0.52 -1.26 -4.15 118.95 121.83 1pm7 s ARG 89 Ca 0.34 -0.82 -0.35 0.00 -0.52 0.00 0.00 55.73 54.38 1pm7 s ARG 89 Cb 0.23 -4.20 -0.16 0.00 0.52 0.00 0.00 34.95 31.34 1pm7 s ARG 89 CO 0.15 -1.69 1.28 0.39 0.02 0.00 0.00 175.30 175.44 1pm7 n GLU 90 N 7.39 1.16 0.00 3.54 1.02 -0.56 -1.82 120.64 131.37 1pm7 n GLU 90 Ca -0.04 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1pm7 n GLU 90 Cb 0.45 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1pm7 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pm7 n GLY 91 N 2.35 2.97 3.57 0.62 0.00 -1.26 -0.98 105.19 112.45 1pm7 n GLY 91 Ca 0.17 -0.09 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 1pm7 n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pm7 n SER 92 N 0.18 1.19 0.00 1.61 2.88 -0.76 -4.88 113.62 113.84 1pm7 n SER 92 Ca 0.00 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.74 1pm7 n SER 92 Cb 0.00 -1.20 0.25 0.00 -0.75 0.00 0.00 64.21 62.51 1pm7 n SER 92 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pm7 n PRO 93 N 1.64 0.08 -0.41 -1.46 -0.04 -1.26 -1.16 135.00 132.39 1pm7 n PRO 93 Ca 0.15 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 1pm7 n PRO 93 Cb 0.25 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.42 1pm7 n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pm7 n THR 94 N -1.39 2.21 -1.67 0.52 -2.24 -1.26 -5.04 114.28 105.41 1pm7 n THR 94 Ca 0.04 -2.22 -0.49 0.00 -2.27 0.00 0.00 64.05 59.11 1pm7 n THR 94 Cb 0.11 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 1pm7 n THR 94 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1pm7 n PHE 95 N -0.92 2.21 -0.53 4.78 7.35 -0.31 -1.58 117.46 128.46 1pm7 n PHE 95 Ca 0.22 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1pm7 n PHE 95 Cb 0.83 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 38.09 1pm7 n PHE 95 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pm7 n GLY 96 N 3.92 0.74 3.89 7.13 0.00 0.04 -5.04 105.19 115.86 1pm7 n GLY 96 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1pm7 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pm7 s ARG 97 N -0.47 3.20 0.06 1.61 1.81 -0.61 -4.80 118.95 119.74 1pm7 s ARG 97 Ca 0.00 -0.78 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 1pm7 s ARG 97 Cb 0.00 -2.79 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 1pm7 s ARG 97 CO 0.00 0.48 -0.03 1.67 -0.68 0.00 0.00 175.30 176.73 1pm7 s TRP 98 N -1.84 0.56 0.14 -0.53 1.48 -1.26 -0.94 118.94 116.54 1pm7 s TRP 98 Ca 0.33 -1.06 -0.08 0.00 -1.06 0.00 0.00 56.10 54.23 1pm7 s TRP 98 Cb -0.10 -0.40 -0.01 0.00 -1.16 0.00 0.00 33.47 31.80 1pm7 s TRP 98 CO 0.26 -0.36 0.23 0.34 -4.06 0.00 0.00 176.95 173.36 1pm7 s ASP 99 N -2.93 0.10 0.13 -2.66 -1.08 -0.79 -4.85 116.67 104.58 1pm7 s ASP 99 Ca 0.08 -0.84 0.06 0.00 -0.52 0.00 0.00 52.55 51.33 1pm7 s ASP 99 Cb 0.08 0.39 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 1pm7 s ASP 99 CO -0.09 -0.82 -0.15 -0.94 0.52 0.00 0.00 175.17 173.69 1pm7 s SER 100 N -2.94 2.13 0.06 -0.34 1.04 -1.26 -1.38 113.70 111.01 1pm7 s SER 100 Ca 0.14 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1pm7 s SER 100 Cb 0.04 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1pm7 s SER 100 CO -0.03 -0.13 -0.09 0.54 0.98 0.00 0.00 173.24 174.51 1pm7 s VAL 101 N -2.17 0.71 -0.34 5.02 0.11 -0.15 -4.97 120.40 118.60 1pm7 s VAL 101 Ca 0.11 -1.29 -0.13 0.00 -2.93 0.00 0.00 61.98 57.73 1pm7 s VAL 101 Cb -0.05 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1pm7 s VAL 101 CO 0.04 -0.44 0.27 -0.22 -3.33 0.00 0.00 175.10 171.42 1pm7 s LEU 102 N -1.89 4.50 -0.21 2.54 2.96 -1.26 -0.78 118.68 124.54 1pm7 s LEU 102 Ca -0.04 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1pm7 s LEU 102 Cb -0.07 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1pm7 s LEU 102 CO 0.00 -0.26 0.10 -0.76 -1.32 0.00 0.00 176.35 174.12 1pm7 s LEU 103 N 1.79 3.96 0.33 -0.68 1.43 -0.33 -4.67 118.68 120.52 1pm7 s LEU 103 Ca 0.07 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1pm7 s LEU 103 Cb -0.17 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1pm7 s LEU 103 CO 0.11 0.13 0.58 1.51 0.23 0.00 0.00 176.35 178.91 1pm7 s ASP 104 N 0.64 0.38 -0.10 2.29 1.47 -1.26 -0.89 116.67 119.20 1pm7 s ASP 104 Ca 0.06 -1.23 0.07 0.00 1.18 0.00 0.00 52.55 52.63 1pm7 s ASP 104 Cb -0.13 0.71 0.38 0.00 -0.34 0.00 0.00 42.92 43.54 1pm7 s ASP 104 CO 0.01 -1.38 1.11 -0.90 0.68 0.00 0.00 175.17 174.69 1pm7 n ASP 105 N -1.15 3.08 -0.06 2.11 5.75 -1.00 -1.95 116.55 123.33 1pm7 n ASP 105 Ca -0.03 -2.39 -0.06 0.00 -0.01 0.00 0.00 54.79 52.31 1pm7 n ASP 105 Cb 0.61 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 1pm7 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pm7 n GLN 106 N 0.32 0.36 0.02 0.11 1.13 -1.26 -4.77 117.38 113.29 1pm7 n GLN 106 Ca 0.13 0.14 0.01 0.00 -1.94 0.00 0.00 57.00 55.34 1pm7 n GLN 106 Cb 0.65 -1.12 -0.09 0.00 0.11 0.00 0.00 30.24 29.79 1pm7 n GLN 106 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pm7 n ASP 107 N -3.89 0.72 -2.70 1.08 8.00 -1.26 -5.00 116.55 113.50 1pm7 n ASP 107 Ca -0.09 0.31 -0.18 0.00 0.71 0.00 0.00 54.79 55.54 1pm7 n ASP 107 Cb 0.35 0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.90 1pm7 n ASP 107 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pm7 n ARG 108 N -2.81 -5.23 -1.30 -1.24 1.74 -0.82 -4.68 116.66 102.32 1pm7 n ARG 108 Ca -0.10 0.68 -0.29 0.00 -0.77 0.00 0.00 57.85 57.36 1pm7 n ARG 108 Cb 0.82 -5.15 0.16 0.00 -1.02 0.00 0.00 32.46 27.27 1pm7 n ARG 108 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pm7 s ARG 109 N -5.78 0.77 0.05 5.56 0.52 -1.26 -4.50 118.95 114.31 1pm7 s ARG 109 Ca 0.37 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.07 1pm7 s ARG 109 Cb -0.16 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1pm7 s ARG 109 CO 0.45 -2.49 -0.09 0.99 0.02 0.00 0.00 175.30 174.18 1pm7 s THR 110 N -3.07 0.69 -0.14 0.02 2.01 0.46 -4.37 115.64 111.24 1pm7 s THR 110 Ca 0.64 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1pm7 s THR 110 Cb -0.17 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1pm7 s THR 110 CO 0.56 -0.30 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.57 1pm7 s ILE 111 N -1.26 3.21 -0.19 1.82 2.07 -0.56 -0.11 121.20 126.18 1pm7 s ILE 111 Ca -0.07 -0.60 -0.12 0.00 -1.41 0.00 0.00 60.65 58.46 1pm7 s ILE 111 Cb -0.09 -2.37 -0.05 0.00 0.13 0.00 0.00 42.46 40.08 1pm7 s ILE 111 CO 0.01 0.51 0.20 -0.47 -1.91 0.00 0.00 174.94 173.28 1pm7 s TYR 112 N 0.48 3.41 -0.22 3.50 5.04 -0.16 -0.59 117.35 128.81 1pm7 s TYR 112 Ca -0.08 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.99 1pm7 s TYR 112 Cb -0.15 -2.26 0.04 0.00 0.35 0.00 0.00 41.96 39.94 1pm7 s TYR 112 CO 0.04 0.23 -0.15 0.08 -1.34 0.00 0.00 175.55 174.41 1pm7 s VAL 113 N 0.53 2.18 0.87 3.14 1.01 0.17 -1.65 120.40 126.65 1pm7 s VAL 113 Ca 0.11 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 1pm7 s VAL 113 Cb -0.12 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.27 1pm7 s VAL 113 CO 0.01 0.24 1.20 -0.94 0.00 0.00 0.00 175.10 175.61 1pm7 s SER 114 N 1.20 3.94 0.25 3.32 1.04 -0.90 -0.95 113.70 121.60 1pm7 s SER 114 Ca -0.02 0.71 -0.28 0.00 0.48 0.00 0.00 55.95 56.83 1pm7 s SER 114 Cb -0.17 -1.11 -0.15 0.00 0.10 0.00 0.00 66.02 64.69 1pm7 s SER 114 CO -0.08 -2.26 0.85 -0.62 0.98 0.00 0.00 173.24 172.11 1pm7 n GLU 115 N -3.53 0.89 -1.02 4.02 4.71 -1.26 -2.90 120.64 121.54 1pm7 n GLU 115 Ca 0.09 0.31 -0.01 0.00 -0.01 0.00 0.00 57.16 57.55 1pm7 n GLU 115 Cb 0.60 -1.56 -0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1pm7 n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pm7 n GLY 116 N 1.51 0.48 3.75 0.62 0.00 -1.26 -4.99 105.19 105.30 1pm7 n GLY 116 Ca 0.13 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1pm7 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm7 s LEU 117 N -0.18 3.28 0.09 0.99 1.43 -1.14 -4.41 118.68 118.73 1pm7 s LEU 117 Ca 0.00 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1pm7 s LEU 117 Cb 0.00 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1pm7 s LEU 117 CO 0.00 -0.36 0.05 0.00 0.23 0.00 0.00 176.35 176.28 1pm7 s ALA 118 N -2.44 3.47 -0.03 4.21 0.00 -0.71 -4.51 121.76 121.75 1pm7 s ALA 118 Ca 0.39 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1pm7 s ALA 118 Cb -0.02 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1pm7 s ALA 118 CO 0.23 0.72 0.11 -1.58 0.00 0.00 0.00 175.76 175.24 1pm7 s HIS 119 N -1.39 -0.05 0.24 0.00 2.46 -0.36 -0.96 115.29 115.24 1pm7 s HIS 119 Ca 0.28 0.12 -0.22 0.00 0.47 0.00 0.00 55.06 55.71 1pm7 s HIS 119 Cb -0.12 -0.00 0.03 0.00 -0.13 0.00 0.00 32.58 32.36 1pm7 s HIS 119 CO 0.21 -0.13 0.73 0.20 -2.47 0.00 0.00 174.74 173.28 1pm7 s GLY 120 N -0.45 -0.19 -0.03 1.59 0.00 -0.20 -1.42 107.32 106.62 1pm7 s GLY 120 Ca -0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.33 1pm7 s GLY 120 CO 0.00 -0.04 0.47 -0.11 0.00 0.00 0.00 173.10 173.43 1pm7 s PHE 121 N -3.82 -0.39 -0.18 1.90 -0.12 -0.72 0.12 117.98 114.77 1pm7 s PHE 121 Ca 0.10 0.66 -0.02 0.00 -0.05 0.00 0.00 56.93 57.61 1pm7 s PHE 121 Cb -0.05 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1pm7 s PHE 121 CO 0.03 -0.48 -0.08 -1.17 -0.05 0.00 0.00 175.22 173.47 1pm7 s LEU 122 N -1.24 2.83 0.19 -1.99 2.96 -0.46 -1.83 118.68 119.14 1pm7 s LEU 122 Ca -0.12 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 1pm7 s LEU 122 Cb -0.03 -1.69 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 1pm7 s LEU 122 CO 0.07 0.06 1.10 0.00 -1.32 0.00 0.00 176.35 176.26 1pm7 s ALA 123 N 0.98 3.38 -1.49 5.97 0.00 -0.56 -1.20 121.76 128.83 1pm7 s ALA 123 Ca -0.01 0.82 0.13 0.00 0.00 0.00 0.00 51.96 52.91 1pm7 s ALA 123 Cb -0.15 -3.35 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1pm7 s ALA 123 CO -0.00 -0.20 1.05 1.28 0.00 0.00 0.00 175.76 177.89 1pm7 n LEU 124 N 2.20 2.46 -3.58 0.00 4.77 0.09 -1.71 117.00 121.21 1pm7 n LEU 124 Ca 0.02 -1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 54.54 1pm7 n LEU 124 Cb 0.46 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1pm7 n LEU 124 CO 0.54 0.52 0.25 -1.10 -1.33 0.00 0.00 177.39 176.27 1pm7 s GLN 125 N -1.08 1.04 0.54 3.23 -0.21 -1.25 -4.89 119.66 117.04 1pm7 s GLN 125 Ca 0.20 -0.33 -0.21 0.00 0.02 0.00 0.00 55.36 55.04 1pm7 s GLN 125 Cb 0.12 0.47 -0.05 0.00 1.00 0.00 0.00 33.01 34.55 1pm7 s GLN 125 CO 0.18 -0.38 1.22 -0.51 -2.12 0.00 0.00 175.29 173.67 1pm7 s ASP 126 N -2.14 5.55 -1.15 5.90 1.01 -1.26 -2.94 116.67 121.64 1pm7 s ASP 126 Ca -0.04 2.42 -0.07 0.00 0.71 0.00 0.00 52.55 55.57 1pm7 s ASP 126 Cb -0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 1pm7 s ASP 126 CO -0.04 -1.35 0.99 -3.20 0.21 0.00 0.00 175.17 171.78 1pm7 n ASN 127 N -1.11 -5.71 -4.52 0.27 5.15 -1.15 -4.71 115.26 103.48 1pm7 n ASN 127 Ca 0.11 -0.45 -0.43 0.00 -0.60 0.00 0.00 54.58 53.21 1pm7 n ASN 127 Cb 0.48 -4.33 -0.04 0.00 -0.53 0.00 0.00 39.78 35.37 1pm7 n ASN 127 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1pm7 s SER 128 N -3.25 6.32 -0.21 1.20 0.01 -0.94 -3.77 113.70 113.06 1pm7 s SER 128 Ca 0.49 -0.38 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1pm7 s SER 128 Cb -0.22 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1pm7 s SER 128 CO 0.61 -1.31 0.29 -0.89 0.41 0.00 0.00 173.24 172.35 1pm7 s THR 129 N 4.16 5.28 -0.08 1.44 2.01 -0.72 -0.56 115.64 127.17 1pm7 s THR 129 Ca 0.31 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.83 1pm7 s THR 129 Cb -0.12 -3.63 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1pm7 s THR 129 CO 0.19 0.31 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.50 1pm7 s VAL 130 N 1.11 1.97 -0.00 3.82 1.01 0.14 -1.57 120.40 126.88 1pm7 s VAL 130 Ca 0.14 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1pm7 s VAL 130 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1pm7 s VAL 130 CO 0.06 0.54 -0.24 -0.32 0.00 0.00 0.00 175.10 175.14 1pm7 s MET 131 N 0.19 1.91 -0.14 2.72 1.75 -0.14 -0.71 119.30 124.88 1pm7 s MET 131 Ca -0.13 -0.92 -0.11 0.00 -1.25 0.00 0.00 55.69 53.28 1pm7 s MET 131 Cb -0.16 -1.90 0.04 0.00 2.84 0.00 0.00 34.83 35.65 1pm7 s MET 131 CO 0.07 0.51 0.35 1.52 -0.65 0.00 0.00 175.02 176.82 1pm7 s TYR 132 N -0.63 -0.42 0.35 4.11 -0.85 0.18 -1.70 117.35 118.38 1pm7 s TYR 132 Ca 0.10 1.00 -0.25 0.00 -0.52 0.00 0.00 57.07 57.40 1pm7 s TYR 132 Cb -0.09 0.15 -0.10 0.00 0.38 0.00 0.00 41.96 42.30 1pm7 s TYR 132 CO -0.00 -0.22 0.96 -0.51 -1.52 0.00 0.00 175.55 174.25 1pm7 s LEU 133 N 0.54 4.25 -0.02 -3.49 1.43 -0.58 -0.74 118.68 120.08 1pm7 s LEU 133 Ca -0.03 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1pm7 s LEU 133 Cb -0.04 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 42.06 1pm7 s LEU 133 CO -0.03 -0.17 -0.07 0.00 0.23 0.00 0.00 176.35 176.31 1pm7 n SER 135 N 3.15 0.48 -4.09 0.00 3.41 -0.76 -0.97 113.62 114.84 1pm7 n SER 135 Ca -0.16 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1pm7 n SER 135 Cb 0.56 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 1pm7 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pm7 s ALA 136 N -3.10 0.80 0.66 7.33 0.00 -1.26 -4.41 121.76 121.79 1pm7 s ALA 136 Ca 0.10 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 1pm7 s ALA 136 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1pm7 s ALA 136 CO 0.51 0.08 1.20 -1.21 0.00 0.00 0.00 175.76 176.34 1pm7 s GLU 137 N -1.39 2.61 0.23 0.00 2.02 -1.26 -4.50 118.70 116.40 1pm7 s GLU 137 Ca -0.05 1.76 -0.32 0.00 0.02 0.00 0.00 54.97 56.38 1pm7 s GLU 137 Cb -0.09 -1.89 -0.13 0.00 0.10 0.00 0.00 34.13 32.13 1pm7 s GLU 137 CO 0.01 -1.47 1.59 0.98 0.02 0.00 0.00 175.26 176.38 1pm7 n TYR 138 N -2.15 2.55 -3.73 1.61 9.36 -1.26 -4.98 117.16 118.56 1pm7 n TYR 138 Ca 0.13 0.24 -0.29 0.00 3.32 0.00 0.00 57.90 61.30 1pm7 n TYR 138 Cb 0.50 -2.58 -0.16 0.00 -0.63 0.00 0.00 39.34 36.48 1pm7 n TYR 138 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pm7 s ASN 139 N 0.73 3.52 0.50 2.98 3.84 -1.26 -5.03 114.94 120.22 1pm7 s ASN 139 Ca 0.71 -1.24 0.15 0.00 0.21 0.00 0.00 52.86 52.69 1pm7 s ASN 139 Cb -0.57 -0.73 1.18 0.00 -0.55 0.00 0.00 41.25 40.58 1pm7 s ASN 139 CO 0.42 -0.36 2.10 1.55 -2.79 0.00 0.00 177.10 178.02 1pm7 h PRO 140 N 8.17 0.01 0.00 0.43 0.13 -1.93 -1.82 132.00 136.99 1pm7 h PRO 140 Ca -0.15 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1pm7 h PRO 140 Cb 1.06 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1pm7 h PRO 140 CO 0.41 0.06 -0.19 0.37 -0.23 0.00 0.00 178.00 178.42 1pm7 h GLN 141 N 0.01 0.00 -0.08 0.86 4.15 -2.02 -3.22 115.11 114.80 1pm7 h GLN 141 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pm7 h GLN 141 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1pm7 h GLN 141 CO 0.01 0.19 0.00 0.54 -1.93 0.00 0.00 178.83 177.64 1pm7 n ARG 142 N -3.38 1.82 -3.76 1.69 1.74 -0.72 -4.97 116.66 109.08 1pm7 n ARG 142 Ca -0.00 -1.36 -0.36 0.00 -0.77 0.00 0.00 57.85 55.36 1pm7 n ARG 142 Cb 0.40 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.68 1pm7 n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pm7 s GLU 143 N -0.77 3.88 0.27 5.56 0.41 -1.01 -1.13 118.70 125.91 1pm7 s GLU 143 Ca 0.07 -0.13 0.03 0.00 -0.41 0.00 0.00 54.97 54.53 1pm7 s GLU 143 Cb 0.04 -3.32 -0.06 0.00 -1.78 0.00 0.00 34.13 29.01 1pm7 s GLU 143 CO 0.05 0.50 0.04 -1.01 -0.49 0.00 0.00 175.26 174.35 1pm7 s HIS 144 N -0.25 1.73 0.06 1.61 3.76 -0.36 -4.95 115.29 116.89 1pm7 s HIS 144 Ca 0.12 -0.98 0.04 0.00 -0.15 0.00 0.00 55.06 54.09 1pm7 s HIS 144 Cb -0.12 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 1pm7 s HIS 144 CO 0.02 -0.07 -0.11 0.99 -0.85 0.00 0.00 174.74 174.72 1pm7 s THR 145 N -3.42 0.87 -0.06 1.30 2.01 -1.26 -1.93 115.64 113.14 1pm7 s THR 145 Ca 0.34 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1pm7 s THR 145 Cb 0.07 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1pm7 s THR 145 CO 0.12 -0.34 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.93 1pm7 s ILE 146 N -1.53 1.30 0.11 1.82 1.01 -0.13 -4.37 121.20 119.42 1pm7 s ILE 146 Ca -0.04 -0.61 -0.36 0.00 0.00 0.00 0.00 60.65 59.65 1pm7 s ILE 146 Cb -0.09 -1.15 -0.16 0.00 0.01 0.00 0.00 42.46 41.08 1pm7 s ILE 146 CO 0.01 0.39 1.42 0.00 0.00 0.00 0.00 174.94 176.76 1pm7 h ALA 148 N 5.03 1.02 -0.25 0.00 0.00 -1.83 -2.45 119.26 120.78 1pm7 h ALA 148 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1pm7 h ALA 148 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1pm7 h ALA 148 CO 0.82 0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.41 1pm7 n THR 149 N -3.21 1.96 -1.52 0.00 -2.24 -1.26 -4.67 114.28 103.34 1pm7 n THR 149 Ca 0.00 -1.71 -0.56 0.00 -2.27 0.00 0.00 64.05 59.51 1pm7 n THR 149 Cb 0.34 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1pm7 n THR 149 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pm7 n ASP 150 N -0.39 0.33 0.23 3.42 -0.08 -0.92 -4.79 116.55 114.36 1pm7 n ASP 150 Ca 0.18 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.76 1pm7 n ASP 150 Cb 0.76 -1.00 0.55 0.00 2.34 0.00 0.00 41.12 43.77 1pm7 n ASP 150 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1pm7 h PRO 151 N 3.20 0.00 0.10 -0.67 0.13 -1.95 -1.35 132.00 131.45 1pm7 h PRO 151 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 1pm7 h PRO 151 Cb 1.41 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.55 1pm7 h PRO 151 CO 0.67 0.00 -1.18 1.15 -0.23 0.00 0.00 178.00 178.41 1pm7 h THR 152 N 0.00 1.35 0.01 1.56 2.02 -1.99 -3.29 112.91 112.57 1pm7 h THR 152 Ca 0.00 -2.59 -0.25 0.00 0.77 0.00 0.00 66.41 64.34 1pm7 h THR 152 Cb 0.59 2.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1pm7 h THR 152 CO 0.00 0.78 -1.01 -0.07 0.37 0.00 0.00 175.52 175.58 1pm7 h LEU 153 N 0.22 0.71 -2.31 2.58 3.38 -1.81 -3.48 115.31 114.60 1pm7 h LEU 153 Ca -0.15 -0.58 -0.52 0.00 0.09 0.00 0.00 57.88 56.71 1pm7 h LEU 153 Cb 1.86 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 1pm7 h LEU 153 CO 0.22 1.38 -0.92 0.00 0.09 0.00 0.00 178.44 179.21 1pm7 n ALA 154 N -2.59 -2.14 -1.77 1.53 0.00 -0.53 -4.88 120.51 110.12 1pm7 n ALA 154 Ca -0.09 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 1pm7 n ALA 154 Cb 0.87 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1pm7 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pm7 s VAL 155 N -3.94 2.76 -0.96 0.00 1.01 -1.26 -4.95 120.40 113.06 1pm7 s VAL 155 Ca 0.11 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 1pm7 s VAL 155 Cb -0.05 -3.47 0.21 0.00 0.00 0.00 0.00 36.38 33.07 1pm7 s VAL 155 CO 0.91 0.17 1.00 -0.62 0.00 0.00 0.00 175.10 176.56 1pm7 s ASP 156 N -0.57 6.92 -0.08 3.32 -1.08 -1.26 -5.01 116.67 118.91 1pm7 s ASP 156 Ca 0.50 -2.83 -0.28 0.00 -0.52 0.00 0.00 52.55 49.42 1pm7 s ASP 156 Cb -0.39 -2.27 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 1pm7 s ASP 156 CO 0.51 -0.62 0.93 0.26 0.52 0.00 0.00 175.17 176.78 1pm7 s TRP 157 N 0.45 3.55 -1.16 -5.34 0.52 -1.26 -4.99 118.94 110.72 1pm7 s TRP 157 Ca 0.27 1.53 -0.15 0.00 0.02 0.00 0.00 56.10 57.77 1pm7 s TRP 157 Cb -0.08 -3.09 0.16 0.00 -1.15 0.00 0.00 33.47 29.30 1pm7 s TRP 157 CO -0.08 -0.13 1.38 -1.25 0.02 0.00 0.00 176.95 176.90 1pm7 s PRO 158 N 1.61 3.99 -0.25 4.98 0.04 -1.26 -4.05 135.00 140.06 1pm7 s PRO 158 Ca 0.46 -2.40 0.00 0.00 0.04 0.00 0.00 61.00 59.10 1pm7 s PRO 158 Cb -0.19 -5.05 0.02 0.00 0.04 0.00 0.00 34.50 29.32 1pm7 s PRO 158 CO 0.20 -1.78 0.93 -0.11 0.04 0.00 0.00 177.00 176.27 1pm7 n LEU 159 N 5.91 -0.85 -3.32 -3.56 0.00 -1.26 -4.90 117.00 109.01 1pm7 n LEU 159 Ca 0.35 -1.50 -0.38 0.00 0.00 0.00 0.00 56.01 54.47 1pm7 n LEU 159 Cb 0.44 0.95 -0.02 0.00 0.00 0.00 0.00 43.42 44.79 1pm7 n LEU 159 CO 0.60 1.04 2.84 1.33 0.00 0.00 0.00 177.39 183.20 1pm7 n VAL 160 N -0.42 4.68 -3.18 1.96 0.24 -1.26 -3.94 118.33 116.41 1pm7 n VAL 160 Ca -0.25 -3.36 -0.18 0.00 -2.04 0.00 0.00 64.34 58.51 1pm7 n VAL 160 Cb 0.60 -2.32 -0.03 0.00 -1.47 0.00 0.00 33.84 30.63 1pm7 n VAL 160 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pm7 n ASP 161 N 2.60 0.77 0.00 -1.34 8.00 -1.26 -4.99 116.55 120.32 1pm7 n ASP 161 Ca 0.69 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1pm7 n ASP 161 Cb 0.27 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1pm7 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pm7 n GLY 162 N 0.31 0.64 3.57 0.44 0.00 -1.26 -5.11 105.19 103.78 1pm7 n GLY 162 Ca 0.25 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1pm7 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm7 s ALA 163 N -1.00 2.95 0.84 4.61 0.00 -1.25 -5.12 121.76 122.78 1pm7 s ALA 163 Ca 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 1pm7 s ALA 163 Cb 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.47 1pm7 s ALA 163 CO 0.00 0.42 0.80 0.00 0.00 0.00 0.00 175.76 176.98 1pm7 n ALA 164 N -0.14 -1.21 -1.97 0.00 0.00 -1.26 -4.53 120.51 111.40 1pm7 n ALA 164 Ca -0.10 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 1pm7 n ALA 164 Cb 0.56 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 18.05 1pm7 n ALA 164 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pm7 s PRO 165 N -3.69 2.58 -0.22 0.00 0.04 -1.26 -5.03 135.00 127.43 1pm7 s PRO 165 Ca 0.66 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.68 1pm7 s PRO 165 Cb -0.28 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1pm7 s PRO 165 CO 0.58 -1.04 0.04 -1.12 0.04 0.00 0.00 177.00 175.50 1pm7 s SER 166 N -4.41 5.11 0.28 6.66 0.01 0.60 -4.95 113.70 116.99 1pm7 s SER 166 Ca 0.58 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.71 1pm7 s SER 166 Cb -0.11 -1.89 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 1pm7 s SER 166 CO 0.47 0.04 0.05 -0.76 0.41 0.00 0.00 173.24 173.45 1pm7 s LEU 167 N 1.17 2.02 0.72 2.44 1.02 -1.26 -0.52 118.68 124.26 1pm7 s LEU 167 Ca 0.04 -1.33 -0.11 0.00 0.02 0.00 0.00 54.13 52.74 1pm7 s LEU 167 Cb -0.14 -0.23 0.02 0.00 0.02 0.00 0.00 46.19 45.86 1pm7 s LEU 167 CO 0.03 -0.61 1.09 -0.94 0.02 0.00 0.00 176.35 175.93 1pm7 s SER 168 N -3.38 5.26 0.17 2.29 1.04 -1.26 -4.87 113.70 112.95 1pm7 s SER 168 Ca 0.35 1.25 -0.14 0.00 0.48 0.00 0.00 55.95 57.89 1pm7 s SER 168 Cb 0.08 -2.06 0.12 0.00 0.10 0.00 0.00 66.02 64.25 1pm7 s SER 168 CO 0.13 -1.47 1.78 0.44 0.98 0.00 0.00 173.24 175.10 1pm7 h ASP 169 N -0.75 0.34 -0.33 7.02 5.19 -2.01 -0.46 116.42 125.42 1pm7 h ASP 169 Ca -0.45 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 55.96 1pm7 h ASP 169 Cb 1.25 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1pm7 h ASP 169 CO 0.62 0.24 0.11 -0.09 -3.12 0.00 0.00 179.24 176.99 1pm7 h ARG 170 N 0.47 0.51 -0.06 3.56 2.43 -1.96 -1.80 114.38 117.53 1pm7 h ARG 170 Ca 0.21 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1pm7 h ARG 170 Cb 0.12 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1pm7 h ARG 170 CO -0.15 0.54 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.17 1pm7 h ASP 171 N 0.38 0.09 0.83 -3.80 3.32 -1.86 -2.58 116.42 112.80 1pm7 h ASP 171 Ca 0.11 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1pm7 h ASP 171 Cb 0.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1pm7 h ASP 171 CO -0.00 0.34 -0.48 0.00 -1.72 0.00 0.00 179.24 177.37 1pm7 h ALA 172 N 1.67 0.94 -0.48 3.45 0.00 -0.79 -2.96 119.26 121.09 1pm7 h ALA 172 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pm7 h ALA 172 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pm7 h ALA 172 CO 0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1pm7 n ALA 173 N -2.33 3.05 -1.76 0.00 0.00 -0.70 -5.01 120.51 113.76 1pm7 n ALA 173 Ca -0.00 -1.79 -0.39 0.00 0.00 0.00 0.00 53.44 51.26 1pm7 n ALA 173 Cb 0.57 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.18 1pm7 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pm7 s ALA 174 N -2.15 3.07 0.50 0.00 0.00 -0.99 -4.94 121.76 117.26 1pm7 s ALA 174 Ca 0.45 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 1pm7 s ALA 174 Cb 0.31 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 1pm7 s ALA 174 CO 0.17 -1.01 1.13 -1.25 0.00 0.00 0.00 175.76 174.81 1pm7 s PRO 175 N -2.56 3.58 1.09 0.00 0.04 -1.26 -4.24 135.00 131.64 1pm7 s PRO 175 Ca 0.63 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1pm7 s PRO 175 Cb -0.38 -2.19 0.23 0.00 0.04 0.00 0.00 34.50 32.21 1pm7 s PRO 175 CO 0.47 -0.67 1.12 -1.12 0.04 0.00 0.00 177.00 176.84 1pm7 s SER 176 N -1.62 1.90 0.11 6.66 0.01 -1.26 -1.42 113.70 118.08 1pm7 s SER 176 Ca 0.68 0.82 0.12 0.00 1.31 0.00 0.00 55.95 58.88 1pm7 s SER 176 Cb -0.25 -1.22 -0.13 0.00 0.21 0.00 0.00 66.02 64.62 1pm7 s SER 176 CO 0.29 -3.54 1.11 0.15 0.41 0.00 0.00 173.24 171.67 1pm7 h PHE 177 N -2.18 0.00 -0.03 2.43 3.57 -1.95 -1.09 116.94 117.69 1pm7 h PHE 177 Ca -0.49 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 60.85 1pm7 h PHE 177 Cb 1.31 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1pm7 h PHE 177 CO -0.98 0.80 -0.69 0.93 -2.23 0.00 0.00 178.31 176.15 1pm7 h GLU 178 N 0.00 0.16 -0.60 1.11 4.39 -1.98 -0.59 114.58 117.06 1pm7 h GLU 178 Ca -0.09 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.53 1pm7 h GLU 178 Cb 1.69 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.32 1pm7 h GLU 178 CO 0.09 0.78 0.32 -0.44 -1.16 0.00 0.00 179.01 178.61 1pm7 h ASP 179 N 0.11 0.48 1.07 1.42 3.32 -1.86 -2.60 116.42 118.37 1pm7 h ASP 179 Ca -0.02 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 1pm7 h ASP 179 Cb 1.22 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1pm7 h ASP 179 CO 0.10 0.32 -0.93 0.58 -1.72 0.00 0.00 179.24 177.59 1pm7 h VAL 180 N 0.62 1.59 0.06 -1.35 2.07 -1.09 -3.11 116.25 115.04 1pm7 h VAL 180 Ca 0.26 -3.25 -0.28 0.00 0.82 0.00 0.00 66.70 64.25 1pm7 h VAL 180 Cb 0.14 2.79 0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1pm7 h VAL 180 CO -0.16 0.91 -1.14 -0.09 0.02 0.00 0.00 177.57 177.11 1pm7 h ARG 181 N 0.00 0.61 0.00 1.57 2.43 -1.08 -2.74 114.38 115.18 1pm7 h ARG 181 Ca -0.01 -0.75 -0.01 0.00 -0.81 0.00 0.00 59.98 58.40 1pm7 h ARG 181 Cb 1.72 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1pm7 h ARG 181 CO 0.12 1.32 -0.07 0.00 -1.51 0.00 0.00 179.97 179.84 1pm7 h ALA 182 N 0.40 1.00 -0.00 2.80 0.00 -1.56 -2.48 119.26 119.41 1pm7 h ALA 182 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pm7 h ALA 182 Cb 1.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1pm7 h ALA 182 CO 0.22 0.08 -0.30 0.45 0.00 0.00 0.00 179.25 179.69 1pm7 n SER 183 N -3.17 0.50 0.00 0.00 2.88 -1.17 -4.96 113.62 107.70 1pm7 n SER 183 Ca 0.01 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1pm7 n SER 183 Cb 0.39 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1pm7 n SER 183 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pm7 n GLY 184 N 1.43 0.55 0.78 0.46 0.00 -0.94 -4.90 105.19 102.57 1pm7 n GLY 184 Ca 0.08 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1pm7 n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pm7 n LEU 185 N 0.00 2.42 -4.82 0.99 4.77 -1.21 -4.94 117.00 114.20 1pm7 n LEU 185 Ca 0.00 -0.82 -0.34 0.00 -0.03 0.00 0.00 56.01 54.81 1pm7 n LEU 185 Cb 0.11 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1pm7 n LEU 185 CO 0.00 0.41 0.54 -0.76 -1.33 0.00 0.00 177.39 176.25 1pm7 s LEU 186 N -1.96 4.13 0.78 2.23 1.43 -1.26 -4.86 118.68 119.16 1pm7 s LEU 186 Ca 0.32 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.84 1pm7 s LEU 186 Cb 0.20 -4.14 0.07 0.00 0.03 0.00 0.00 46.19 42.36 1pm7 s LEU 186 CO 0.31 -0.19 1.19 -2.84 0.23 0.00 0.00 176.35 175.06 1pm7 s PRO 187 N -2.69 1.81 -0.19 1.29 0.02 -1.26 -4.86 135.00 129.12 1pm7 s PRO 187 Ca 0.54 1.70 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 1pm7 s PRO 187 Cb -0.13 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1pm7 s PRO 187 CO 0.18 -2.07 0.04 1.03 -0.33 0.00 0.00 177.00 175.85 1pm7 s ARG 188 N -4.15 3.80 0.20 5.54 0.52 -1.26 -1.50 118.95 122.11 1pm7 s ARG 188 Ca 0.72 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 1pm7 s ARG 188 Cb -0.27 -3.17 0.19 0.00 0.52 0.00 0.00 34.95 32.21 1pm7 s ARG 188 CO 0.49 0.13 1.44 1.87 0.02 0.00 0.00 175.30 179.25 1pm7 n TRP 189 N 3.94 -0.03 -0.19 -0.53 -0.00 -0.15 -1.46 117.44 119.02 1pm7 n TRP 189 Ca -0.17 1.14 0.05 0.00 -0.00 0.00 0.00 57.50 58.52 1pm7 n TRP 189 Cb 0.52 -0.81 0.32 0.00 -0.00 0.00 0.00 31.31 31.34 1pm7 n TRP 189 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1pm7 h GLU 190 N 0.00 0.80 0.00 5.87 4.39 -1.94 -2.51 114.58 121.19 1pm7 h GLU 190 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1pm7 h GLU 190 Cb 0.53 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1pm7 h GLU 190 CO -0.91 0.53 -0.85 -0.56 -1.16 0.00 0.00 179.01 176.06 1pm7 h GLN 191 N 0.82 0.00 -0.11 2.33 3.07 -1.65 -2.43 115.11 117.15 1pm7 h GLN 191 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.82 1pm7 h GLN 191 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.71 1pm7 h GLN 191 CO -0.09 0.00 -0.80 1.79 0.09 0.00 0.00 178.83 179.82 1pm7 h THR 192 N 0.00 1.32 -0.15 1.86 1.35 -0.92 -2.66 112.91 113.70 1pm7 h THR 192 Ca 0.00 -2.08 -0.20 0.00 -0.55 0.00 0.00 66.41 63.58 1pm7 h THR 192 Cb 0.88 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1pm7 h THR 192 CO 0.00 0.64 -0.72 1.56 -0.25 0.00 0.00 175.52 176.75 1pm7 h GLN 193 N 0.43 0.67 -0.83 4.72 4.20 -1.50 -1.05 115.11 121.74 1pm7 h GLN 193 Ca -0.06 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 1pm7 h GLN 193 Cb 1.42 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.26 1pm7 h GLN 193 CO 0.15 1.14 0.43 -0.09 -0.67 0.00 0.00 178.83 179.80 1pm7 h ARG 194 N 0.47 1.18 -0.44 1.46 2.43 -1.49 0.52 114.38 118.51 1pm7 h ARG 194 Ca -0.03 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1pm7 h ARG 194 Cb 1.32 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1pm7 h ARG 194 CO 0.14 0.88 -0.02 0.35 -1.51 0.00 0.00 179.97 179.82 1pm7 h PHE 195 N 1.17 0.77 0.11 2.20 3.57 -1.22 -3.10 116.94 120.44 1pm7 h PHE 195 Ca 0.29 -0.11 -0.29 0.00 3.53 0.00 0.00 57.97 61.39 1pm7 h PHE 195 Cb 0.07 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1pm7 h PHE 195 CO 0.01 0.73 -1.53 0.82 -2.23 0.00 0.00 178.31 176.11 1pm7 h ILE 196 N 0.68 0.93 0.00 1.41 2.04 -0.93 -3.34 117.51 118.29 1pm7 h ILE 196 Ca 0.13 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1pm7 h ILE 196 Cb 0.44 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1pm7 h ILE 196 CO 0.02 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1pm7 n GLY 197 N 1.76 -0.65 0.02 5.37 0.00 0.18 -1.09 105.19 110.78 1pm7 n GLY 197 Ca -0.27 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1pm7 n GLY 197 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pm7 n GLU 198 N -1.16 0.04 -0.07 1.61 2.13 -1.17 -5.05 120.64 116.97 1pm7 n GLU 198 Ca 0.09 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1pm7 n GLU 198 Cb 0.09 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.25 1pm7 n GLU 198 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39