#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pq0 s ARG 3 N 0.00 3.74 0.06 1.61 1.81 -1.26 -5.04 118.95 119.86 2pq0 s ARG 3 Ca 0.00 2.33 0.05 0.00 -1.72 0.00 0.00 55.73 56.39 2pq0 s ARG 3 Cb 0.00 -2.66 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 2pq0 s ARG 3 CO 0.00 -0.74 -0.08 0.15 -0.68 0.00 0.00 175.30 173.95 2pq0 s LYS 4 N -2.42 2.35 0.02 3.54 1.02 -1.26 -4.66 119.74 118.33 2pq0 s LYS 4 Ca 0.60 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.74 2pq0 s LYS 4 Cb -0.42 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2pq0 s LYS 4 CO 0.53 0.55 -0.06 -1.50 -0.92 0.00 0.00 175.35 173.96 2pq0 s ILE 5 N -1.11 0.41 -0.09 2.17 2.07 -0.97 -0.84 121.20 122.84 2pq0 s ILE 5 Ca 0.20 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 58.84 2pq0 s ILE 5 Cb -0.11 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 42.06 2pq0 s ILE 5 CO 0.11 -0.15 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.12 2pq0 s VAL 6 N -0.76 1.61 -0.16 4.00 1.01 0.36 -0.84 120.40 125.61 2pq0 s VAL 6 Ca -0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2pq0 s VAL 6 Cb -0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2pq0 s VAL 6 CO 0.00 0.46 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 2pq0 s PHE 7 N 0.62 3.14 0.06 5.22 0.08 0.03 -1.17 117.98 125.96 2pq0 s PHE 7 Ca -0.14 -0.10 0.08 0.00 0.12 0.00 0.00 56.93 56.89 2pq0 s PHE 7 Cb -0.16 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 2pq0 s PHE 7 CO 0.04 0.08 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.00 2pq0 s PHE 8 N 0.30 2.54 0.40 0.36 0.08 -0.29 -1.16 117.98 120.20 2pq0 s PHE 8 Ca -0.00 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.86 2pq0 s PHE 8 Cb -0.13 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2pq0 s PHE 8 CO 0.02 0.28 0.45 0.34 -0.10 0.00 0.00 175.22 176.20 2pq0 s ASP 9 N -1.60 5.43 -0.10 1.36 -1.08 -1.03 -0.41 116.67 119.24 2pq0 s ASP 9 Ca 0.15 -0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 51.62 2pq0 s ASP 9 Cb -0.10 -0.75 -0.02 0.00 -1.46 0.00 0.00 42.92 40.59 2pq0 s ASP 9 CO 0.06 -0.62 -0.10 0.40 0.52 0.00 0.00 175.17 175.43 2pq0 h ILE 10 N 0.90 0.00 -2.72 4.11 5.03 -1.91 -3.11 117.51 119.80 2pq0 h ILE 10 Ca -0.42 -0.82 -0.52 0.00 -0.12 0.00 0.00 64.86 62.98 2pq0 h ILE 10 Cb 1.27 0.00 0.05 0.00 -3.03 0.00 0.00 36.82 35.10 2pq0 h ILE 10 CO 0.52 0.00 0.96 -1.81 -0.68 0.00 0.00 178.15 177.14 2pq0 s ASP 11 N -5.25 6.50 0.00 1.72 1.01 -1.26 -1.62 116.67 117.78 2pq0 s ASP 11 Ca -0.08 2.70 0.00 0.00 0.71 0.00 0.00 52.55 55.88 2pq0 s ASP 11 Cb 0.01 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2pq0 s ASP 11 CO 0.12 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.21 2pq0 n GLY 12 N 3.91 0.35 0.66 0.21 0.00 -1.01 -4.56 105.19 104.74 2pq0 n GLY 12 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pq0 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pq0 n THR 13 N -2.00 0.00 0.05 2.61 -1.04 -0.96 -4.33 114.28 108.61 2pq0 n THR 13 Ca 0.00 0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.94 2pq0 n THR 13 Cb 0.00 -1.13 -0.14 0.00 -1.82 0.00 0.00 70.33 67.24 2pq0 n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pq0 h LEU 14 N 0.00 0.49 -9.86 -4.42 3.38 -1.23 -3.45 115.31 100.22 2pq0 h LEU 14 Ca 0.00 -0.91 -0.61 0.00 0.09 0.00 0.00 57.88 56.45 2pq0 h LEU 14 Cb 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2pq0 h LEU 14 CO 0.00 1.54 -0.40 -0.76 0.09 0.00 0.00 178.44 178.91 2pq0 s LEU 15 N -7.69 4.34 0.00 1.67 1.43 -0.64 -4.25 118.68 113.54 2pq0 s LEU 15 Ca -0.16 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2pq0 s LEU 15 Cb 0.03 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.33 2pq0 s LEU 15 CO 0.82 0.18 0.00 -0.90 0.23 0.00 0.00 176.35 176.68 2pq0 n ASP 16 N 0.61 0.00 0.22 2.29 3.85 -0.51 -2.42 116.55 120.59 2pq0 n ASP 16 Ca -0.07 -0.42 0.09 0.00 -0.71 0.00 0.00 54.79 53.68 2pq0 n ASP 16 Cb 0.52 0.00 0.50 0.00 -1.35 0.00 0.00 41.12 40.79 2pq0 n ASP 16 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2pq0 h GLU 17 N 0.00 0.00 -0.26 0.11 3.07 -1.97 -1.67 114.58 113.86 2pq0 h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pq0 h GLU 17 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2pq0 h GLU 17 CO 0.00 0.25 0.00 1.04 -1.40 0.00 0.00 179.01 178.90 2pq0 n GLN 18 N -3.62 1.89 -2.40 2.33 3.00 -1.26 -4.90 117.38 112.42 2pq0 n GLN 18 Ca -0.01 -1.35 -0.16 0.00 -0.01 0.00 0.00 57.00 55.47 2pq0 n GLN 18 Cb 0.38 -1.39 -0.00 0.00 0.00 0.00 0.00 30.24 29.23 2pq0 n GLN 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2pq0 n LYS 19 N 0.57 -1.73 -4.05 -1.09 5.02 -0.63 -5.01 118.16 111.24 2pq0 n LYS 19 Ca 0.16 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.97 2pq0 n LYS 19 Cb 0.37 -5.15 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 2pq0 n LYS 19 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2pq0 s GLN 20 N -4.91 3.09 -0.33 1.97 -1.52 -1.26 -4.77 119.66 111.93 2pq0 s GLN 20 Ca 0.04 -0.88 -0.17 0.00 -1.95 0.00 0.00 55.36 52.40 2pq0 s GLN 20 Cb -0.02 -2.71 -0.01 0.00 -0.22 0.00 0.00 33.01 30.05 2pq0 s GLN 20 CO 0.05 0.45 0.46 -1.17 -0.25 0.00 0.00 175.29 174.83 2pq0 s LEU 21 N -3.58 4.30 0.40 2.90 2.96 -1.26 -1.43 118.68 122.97 2pq0 s LEU 21 Ca 0.33 0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.99 2pq0 s LEU 21 Cb -0.09 -2.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.99 2pq0 s LEU 21 CO 0.26 -0.39 1.44 -2.84 -1.32 0.00 0.00 176.35 173.50 2pq0 s PRO 22 N 2.26 3.95 0.18 0.98 0.02 -1.26 -4.93 135.00 136.20 2pq0 s PRO 22 Ca 0.17 2.46 -0.14 0.00 0.02 0.00 0.00 61.00 63.52 2pq0 s PRO 22 Cb -0.16 -2.84 0.11 0.00 0.02 0.00 0.00 34.50 31.63 2pq0 s PRO 22 CO 0.12 -0.62 1.79 -0.07 -0.33 0.00 0.00 177.00 177.89 2pq0 h LEU 23 N 2.74 0.39 -2.26 -5.54 4.07 -1.99 -2.02 115.31 110.70 2pq0 h LEU 23 Ca -0.51 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 2pq0 h LEU 23 Cb 1.25 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 2pq0 h LEU 23 CO 0.63 0.27 -0.05 0.77 -1.08 0.00 0.00 178.44 178.99 2pq0 h SER 24 N 0.51 0.00 -0.12 -0.43 4.64 -1.99 -1.85 113.55 114.31 2pq0 h SER 24 Ca 0.21 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.30 2pq0 h SER 24 Cb 0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2pq0 h SER 24 CO -0.13 0.05 -0.83 0.74 -0.87 0.00 0.00 176.83 175.78 2pq0 h THR 25 N 0.00 1.28 -0.80 2.95 2.02 -1.75 0.17 112.91 116.78 2pq0 h THR 25 Ca -0.00 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 2pq0 h THR 25 Cb 0.13 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2pq0 h THR 25 CO 0.01 0.64 0.44 0.40 0.37 0.00 0.00 175.52 177.38 2pq0 h ILE 26 N 0.49 1.24 -0.03 3.11 2.04 -1.12 0.89 117.51 124.13 2pq0 h ILE 26 Ca -0.07 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2pq0 h ILE 26 Cb 1.47 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2pq0 h ILE 26 CO 0.17 0.26 0.01 -0.08 0.00 0.00 0.00 178.15 178.52 2pq0 h GLU 27 N 1.11 0.04 0.10 2.37 4.22 -1.25 -0.76 114.58 120.42 2pq0 h GLU 27 Ca 0.28 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.73 2pq0 h GLU 27 Cb 0.03 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2pq0 h GLU 27 CO -0.05 0.16 -0.50 0.00 -2.18 0.00 0.00 179.01 176.44 2pq0 h ALA 28 N 0.87 -0.92 -0.97 2.92 0.00 -0.02 0.11 119.26 121.25 2pq0 h ALA 28 Ca 0.01 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2pq0 h ALA 28 Cb 0.14 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2pq0 h ALA 28 CO -0.00 -1.09 0.62 0.28 0.00 0.00 0.00 179.25 179.05 2pq0 h VAL 29 N -0.72 0.92 0.53 0.00 2.07 -0.81 -0.27 116.25 117.97 2pq0 h VAL 29 Ca 0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2pq0 h VAL 29 Cb 0.74 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2pq0 h VAL 29 CO -0.29 0.17 -0.43 -0.09 0.02 0.00 0.00 177.57 176.95 2pq0 h ARG 30 N 0.95 -0.90 -1.00 1.57 2.43 0.40 -1.32 114.38 116.50 2pq0 h ARG 30 Ca 0.48 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.78 2pq0 h ARG 30 Cb 0.49 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.18 2pq0 h ARG 30 CO -0.24 -0.60 0.65 0.00 -1.51 0.00 0.00 179.97 178.26 2pq0 h ARG 31 N -0.94 1.11 -1.00 0.20 2.47 -0.24 -1.90 114.38 114.08 2pq0 h ARG 31 Ca -0.06 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.60 2pq0 h ARG 31 Cb 0.80 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 2pq0 h ARG 31 CO -0.01 0.74 0.66 1.25 0.56 0.00 0.00 179.97 183.17 2pq0 h LEU 32 N 1.15 1.16 -0.08 3.04 5.85 -0.73 -2.07 115.31 123.62 2pq0 h LEU 32 Ca 0.44 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 2pq0 h LEU 32 Cb 0.22 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2pq0 h LEU 32 CO -0.19 0.84 -0.20 0.11 -0.34 0.00 0.00 178.44 178.67 2pq0 h LYS 33 N 1.36 0.27 0.00 1.25 1.57 -0.47 -1.27 116.57 119.29 2pq0 h LYS 33 Ca 0.37 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2pq0 h LYS 33 Cb -0.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2pq0 h LYS 33 CO -0.08 0.79 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 2pq0 n GLN 34 N -4.55 0.07 -0.04 3.15 10.64 -0.94 -1.37 117.38 124.34 2pq0 n GLN 34 Ca -0.08 0.34 0.12 0.00 -1.83 0.00 0.00 57.00 55.56 2pq0 n GLN 34 Cb 0.41 -1.64 0.31 0.00 -0.86 0.00 0.00 30.24 28.47 2pq0 n GLN 34 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2pq0 n SER 35 N -1.76 2.33 0.00 2.61 2.88 -0.79 -4.95 113.62 113.94 2pq0 n SER 35 Ca 0.03 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.79 2pq0 n SER 35 Cb 0.17 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2pq0 n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pq0 n GLY 36 N 1.28 0.97 3.71 0.46 0.00 -0.47 -5.03 105.19 106.10 2pq0 n GLY 36 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2pq0 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq0 s VAL 37 N -3.58 4.89 0.09 1.61 1.01 -0.49 -4.68 120.40 119.25 2pq0 s VAL 37 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 2pq0 s VAL 37 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2pq0 s VAL 37 CO 0.00 0.15 1.18 -0.47 0.00 0.00 0.00 175.10 175.96 2pq0 s TYR 38 N 1.18 3.46 -0.12 5.22 5.04 -0.02 -4.15 117.35 127.95 2pq0 s TYR 38 Ca 0.48 1.36 -0.02 0.00 -2.44 0.00 0.00 57.07 56.46 2pq0 s TYR 38 Cb -0.20 -3.40 -0.03 0.00 0.35 0.00 0.00 41.96 38.69 2pq0 s TYR 38 CO 0.24 -1.17 -0.06 0.08 -1.34 0.00 0.00 175.55 173.30 2pq0 s VAL 39 N 0.74 3.70 0.30 3.14 1.01 -1.26 -0.49 120.40 127.53 2pq0 s VAL 39 Ca 0.57 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2pq0 s VAL 39 Cb -0.30 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 2pq0 s VAL 39 CO 0.31 0.53 0.46 0.00 0.00 0.00 0.00 175.10 176.40 2pq0 s ALA 40 N -0.03 0.40 0.04 5.51 0.00 -0.31 -4.76 121.76 122.61 2pq0 s ALA 40 Ca 0.00 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.74 2pq0 s ALA 40 Cb -0.13 1.13 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 2pq0 s ALA 40 CO 0.03 -0.80 -0.19 0.42 0.00 0.00 0.00 175.76 175.21 2pq0 s ILE 41 N -3.45 1.56 -0.13 0.00 1.01 -1.10 -1.14 121.20 117.96 2pq0 s ILE 41 Ca 0.28 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 2pq0 s ILE 41 Cb 0.00 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.15 2pq0 s ILE 41 CO 0.15 0.17 0.05 0.00 0.00 0.00 0.00 174.94 175.31 2pq0 s ALA 42 N -0.81 0.58 0.17 9.38 0.00 0.45 0.56 121.76 132.10 2pq0 s ALA 42 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 2pq0 s ALA 42 Cb -0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2pq0 s ALA 42 CO 0.02 -0.89 0.27 -0.08 0.00 0.00 0.00 175.76 175.08 2pq0 s THR 43 N 2.04 0.06 -0.51 0.00 -1.32 0.27 -3.79 115.64 112.39 2pq0 s THR 43 Ca 0.03 -1.47 0.24 0.00 -1.21 0.00 0.00 61.69 59.27 2pq0 s THR 43 Cb -0.15 -1.92 0.09 0.00 -1.51 0.00 0.00 72.50 69.01 2pq0 s THR 43 CO -0.07 -0.28 1.31 1.23 -2.21 0.00 0.00 174.62 174.61 2pq0 h GLY 44 N 2.56 0.00 -1.22 6.08 0.00 -1.92 -2.16 103.07 106.40 2pq0 h GLY 44 Ca -0.32 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.52 2pq0 h GLY 44 CO 0.49 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.69 2pq0 s ARG 45 N -3.22 0.46 0.25 4.80 0.52 -1.26 -3.44 118.95 117.06 2pq0 s ARG 45 Ca 0.05 1.34 -0.16 0.00 -0.52 0.00 0.00 55.73 56.44 2pq0 s ARG 45 Cb 0.11 -1.68 -0.08 0.00 0.52 0.00 0.00 34.95 33.82 2pq0 s ARG 45 CO 0.73 -2.94 0.68 0.00 0.02 0.00 0.00 175.30 173.78 2pq0 s ALA 46 N -2.60 3.42 0.16 2.13 0.00 -1.26 -1.30 121.76 122.32 2pq0 s ALA 46 Ca 0.67 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2pq0 s ALA 46 Cb -0.23 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2pq0 s ALA 46 CO 0.60 0.37 1.57 -1.35 0.00 0.00 0.00 175.76 176.95 2pq0 h PRO 47 N 2.87 -0.26 -2.84 0.00 0.11 -1.88 -3.22 132.00 126.78 2pq0 h PRO 47 Ca -0.48 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2pq0 h PRO 47 Cb 1.18 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2pq0 h PRO 47 CO 0.66 -0.17 0.40 1.97 -0.21 0.00 0.00 178.00 180.64 2pq0 n PHE 48 N -5.41 0.00 0.00 0.65 -1.74 -1.23 -2.78 117.46 106.95 2pq0 n PHE 48 Ca 0.01 -0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2pq0 n PHE 48 Cb 0.35 -0.45 0.00 0.00 1.52 0.00 0.00 39.48 40.90 2pq0 n PHE 48 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2pq0 n PHE 50 N 2.87 0.00 -0.33 2.97 1.16 -1.22 -4.85 117.46 118.06 2pq0 n PHE 50 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.57 2pq0 n PHE 50 Cb 0.06 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.01 2pq0 n PHE 50 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2pq0 h GLU 51 N 0.23 1.16 -0.91 3.97 4.22 -1.84 -2.23 114.58 119.19 2pq0 h GLU 51 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2pq0 h GLU 51 Cb 0.00 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 28.94 2pq0 h GLU 51 CO 0.00 0.77 0.59 1.12 -2.18 0.00 0.00 179.01 179.31 2pq0 h HIS 52 N 1.20 1.16 -0.48 0.92 2.07 -1.91 -0.72 115.15 117.40 2pq0 h HIS 52 Ca 0.32 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.83 2pq0 h HIS 52 Cb -0.13 -0.39 -0.02 0.00 2.57 0.00 0.00 27.41 29.43 2pq0 h HIS 52 CO -0.01 0.75 0.18 0.28 -3.07 0.00 0.00 177.93 176.06 2pq0 h VAL 53 N 1.24 1.21 -0.73 6.12 2.07 -1.84 -0.07 116.25 124.25 2pq0 h VAL 53 Ca 0.33 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2pq0 h VAL 53 Cb -0.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2pq0 h VAL 53 CO -0.07 0.25 0.39 0.03 0.02 0.00 0.00 177.57 178.19 2pq0 h ARG 54 N 0.63 1.03 -0.42 1.57 3.08 -1.08 -1.03 114.38 118.16 2pq0 h ARG 54 Ca 0.16 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2pq0 h ARG 54 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2pq0 h ARG 54 CO -0.01 0.78 0.03 -0.22 -1.07 0.00 0.00 179.97 179.47 2pq0 h LYS 55 N 1.01 0.72 -0.51 0.04 1.63 -0.85 0.72 116.57 119.33 2pq0 h LYS 55 Ca 0.26 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2pq0 h LYS 55 Cb 0.06 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2pq0 h LYS 55 CO -0.04 0.78 0.13 1.96 -3.45 0.00 0.00 179.45 178.84 2pq0 h GLN 56 N 0.56 0.81 -0.00 1.90 4.20 -0.75 -3.14 115.11 118.70 2pq0 h GLN 56 Ca 0.12 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pq0 h GLN 56 Cb 0.44 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2pq0 h GLN 56 CO 0.02 0.77 -0.67 1.28 -0.67 0.00 0.00 178.83 179.55 2pq0 n LEU 57 N -4.46 0.73 -2.86 1.46 4.77 -0.41 -4.99 117.00 111.24 2pq0 n LEU 57 Ca 0.02 -0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 2pq0 n LEU 57 Cb 0.22 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2pq0 n LEU 57 CO 0.40 0.18 0.03 0.61 -1.33 0.00 0.00 177.39 177.28 2pq0 n GLY 58 N 1.49 -0.61 3.10 -0.72 0.00 0.24 -5.01 105.19 103.68 2pq0 n GLY 58 Ca 0.05 0.32 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 2pq0 n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pq0 s ILE 59 N -3.30 2.07 -0.13 -0.61 1.01 -0.36 -5.00 121.20 114.87 2pq0 s ILE 59 Ca 0.30 -1.11 0.17 0.00 0.00 0.00 0.00 60.65 60.01 2pq0 s ILE 59 Cb -0.04 -1.95 0.30 0.00 0.01 0.00 0.00 42.46 40.77 2pq0 s ILE 59 CO 0.57 0.38 1.17 -0.90 0.00 0.00 0.00 174.94 176.16 2pq0 n ASP 60 N 4.58 2.49 -3.99 3.58 5.75 -1.26 -4.70 116.55 123.01 2pq0 n ASP 60 Ca -0.19 -3.00 -0.24 0.00 -0.01 0.00 0.00 54.79 51.34 2pq0 n ASP 60 Cb 0.48 -0.41 -0.17 0.00 -1.03 0.00 0.00 41.12 39.99 2pq0 n ASP 60 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2pq0 s SER 61 N -2.65 1.76 0.03 -1.12 0.01 -1.26 -1.48 113.70 108.99 2pq0 s SER 61 Ca 0.31 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.01 2pq0 s SER 61 Cb 0.27 -0.79 0.10 0.00 0.21 0.00 0.00 66.02 65.81 2pq0 s SER 61 CO 0.04 -0.00 0.82 0.72 0.41 0.00 0.00 173.24 175.22 2pq0 s PHE 62 N 0.89 -0.39 -0.22 2.43 -0.71 0.12 -2.70 117.98 117.39 2pq0 s PHE 62 Ca -0.11 0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.99 2pq0 s PHE 62 Cb -0.15 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 2pq0 s PHE 62 CO 0.01 -0.61 -0.03 0.08 -1.34 0.00 0.00 175.22 173.33 2pq0 s VAL 63 N -3.22 3.53 0.37 -2.49 1.01 0.19 -0.63 120.40 119.16 2pq0 s VAL 63 Ca 0.04 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2pq0 s VAL 63 Cb -0.01 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 2pq0 s VAL 63 CO -0.10 0.41 0.03 -0.94 0.00 0.00 0.00 175.10 174.51 2pq0 s SER 64 N 1.44 3.15 -1.53 3.32 1.04 0.97 -0.57 113.70 121.52 2pq0 s SER 64 Ca 0.05 -1.37 -0.12 0.00 0.48 0.00 0.00 55.95 54.99 2pq0 s SER 64 Cb -0.14 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.81 2pq0 s SER 64 CO -0.02 -0.52 0.89 0.49 0.98 0.00 0.00 173.24 175.05 2pq0 n PHE 65 N -0.83 -2.13 -2.99 5.02 3.72 -0.42 -1.00 117.46 118.83 2pq0 n PHE 65 Ca -0.04 0.87 -0.20 0.00 -0.05 0.00 0.00 57.45 58.04 2pq0 n PHE 65 Cb 0.67 -3.84 0.00 0.00 -0.94 0.00 0.00 39.48 35.37 2pq0 n PHE 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2pq0 n ASN 66 N -2.84 -4.30 0.00 4.37 5.03 -0.82 -1.57 115.26 115.12 2pq0 n ASN 66 Ca -0.01 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.26 2pq0 n ASN 66 Cb 0.55 -3.57 0.00 0.00 -1.02 0.00 0.00 39.78 35.74 2pq0 n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pq0 n GLY 67 N -1.13 0.37 0.00 7.41 0.00 -0.17 -2.21 105.19 109.46 2pq0 n GLY 67 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2pq0 n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pq0 n GLN 68 N -1.64 0.07 -3.44 1.61 1.13 -0.61 -4.53 117.38 109.97 2pq0 n GLN 68 Ca 0.00 0.01 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 2pq0 n GLN 68 Cb 0.00 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 28.74 2pq0 n GLN 68 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2pq0 s TYR 69 N -2.93 -0.43 -0.14 1.08 5.04 -0.91 -0.65 117.35 118.41 2pq0 s TYR 69 Ca 0.16 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 2pq0 s TYR 69 Cb 0.19 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 2pq0 s TYR 69 CO 0.51 -0.72 -0.17 0.08 -1.34 0.00 0.00 175.55 173.92 2pq0 s VAL 70 N 2.38 2.64 -0.13 3.14 1.01 0.70 -0.02 120.40 130.11 2pq0 s VAL 70 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2pq0 s VAL 70 Cb -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2pq0 s VAL 70 CO -0.19 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.53 2pq0 s VAL 71 N 0.57 2.20 -0.24 2.92 1.01 0.20 -0.33 120.40 126.73 2pq0 s VAL 71 Ca -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2pq0 s VAL 71 Cb -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2pq0 s VAL 71 CO 0.04 0.55 -0.03 0.12 0.00 0.00 0.00 175.10 175.77 2pq0 s PHE 72 N 0.62 3.01 -1.26 5.22 5.36 0.94 0.10 117.98 131.98 2pq0 s PHE 72 Ca -0.11 -1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 54.49 2pq0 s PHE 72 Cb -0.16 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 2pq0 s PHE 72 CO 0.03 -0.59 0.60 0.39 -1.46 0.00 0.00 175.22 174.18 2pq0 n GLU 73 N 4.78 -0.38 -0.22 10.12 1.02 -1.02 -0.94 120.64 134.01 2pq0 n GLU 73 Ca -0.17 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2pq0 n GLU 73 Cb 0.50 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 2pq0 n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pq0 n GLY 74 N -2.15 2.51 3.51 0.62 0.00 -0.55 -5.01 105.19 104.12 2pq0 n GLY 74 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2pq0 n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pq0 s ASN 75 N -3.75 4.00 -0.38 1.61 0.01 -0.11 -5.07 114.94 111.24 2pq0 s ASN 75 Ca 0.00 -0.53 -0.29 0.00 -0.71 0.00 0.00 52.86 51.33 2pq0 s ASN 75 Cb 0.00 -0.61 0.01 0.00 0.41 0.00 0.00 41.25 41.06 2pq0 s ASN 75 CO 0.00 0.17 1.34 -0.69 -1.51 0.00 0.00 177.10 176.42 2pq0 s VAL 76 N -1.19 4.01 -0.08 1.60 1.01 -1.26 -0.04 120.40 124.46 2pq0 s VAL 76 Ca 0.19 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 2pq0 s VAL 76 Cb -0.11 -4.24 -0.29 0.00 0.00 0.00 0.00 36.38 31.75 2pq0 s VAL 76 CO 0.11 -0.70 0.70 0.25 0.00 0.00 0.00 175.10 175.46 2pq0 h LEU 77 N 11.67 0.41 -7.39 3.92 5.85 -1.00 -3.47 115.31 125.29 2pq0 h LEU 77 Ca -0.27 -0.89 -0.14 0.00 0.84 0.00 0.00 57.88 57.43 2pq0 h LEU 77 Cb 1.10 -0.13 -0.24 0.00 0.37 0.00 0.00 40.66 41.75 2pq0 h LEU 77 CO 1.07 1.52 -0.30 -0.47 -0.34 0.00 0.00 178.44 179.92 2pq0 s TYR 78 N -2.45 -0.36 -0.12 1.25 6.14 -0.76 -5.00 117.35 116.05 2pq0 s TYR 78 Ca -0.17 0.85 -0.06 0.00 0.64 0.00 0.00 57.07 58.33 2pq0 s TYR 78 Cb 0.03 0.13 0.05 0.00 0.42 0.00 0.00 41.96 42.59 2pq0 s TYR 78 CO 0.79 -0.21 0.27 -1.59 0.64 0.00 0.00 175.55 175.46 2pq0 s LYS 79 N -0.00 0.23 -0.42 4.97 -2.85 -1.26 -0.22 119.74 120.18 2pq0 s LYS 79 Ca -0.02 0.59 0.02 0.00 -1.00 0.00 0.00 55.97 55.57 2pq0 s LYS 79 Cb -0.03 -0.10 0.15 0.00 -2.06 0.00 0.00 37.83 35.80 2pq0 s LYS 79 CO 0.01 -0.17 0.28 -1.14 0.10 0.00 0.00 175.35 174.43 2pq0 s GLN 80 N 1.39 1.03 0.77 1.78 2.00 0.18 -5.01 119.66 121.80 2pq0 s GLN 80 Ca -0.08 -1.93 -0.11 0.00 -2.00 0.00 0.00 55.36 51.23 2pq0 s GLN 80 Cb -0.10 -1.80 0.05 0.00 0.80 0.00 0.00 33.01 31.96 2pq0 s GLN 80 CO -0.09 -1.26 1.09 -1.25 -0.50 0.00 0.00 175.29 173.27 2pq0 s PRO 81 N 0.34 2.33 0.79 1.67 0.04 -1.26 -4.85 135.00 134.06 2pq0 s PRO 81 Ca 0.23 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 2pq0 s PRO 81 Cb -0.13 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2pq0 s PRO 81 CO -0.07 -1.48 1.22 -0.51 0.04 0.00 0.00 177.00 176.20 2pq0 s LEU 82 N -5.72 3.20 -0.11 -3.56 1.02 -0.03 -4.89 118.68 108.59 2pq0 s LEU 82 Ca 0.60 2.40 -0.29 0.00 0.02 0.00 0.00 54.13 56.86 2pq0 s LEU 82 Cb -0.14 -4.59 -0.04 0.00 0.02 0.00 0.00 46.19 41.44 2pq0 s LEU 82 CO 0.55 -2.58 1.46 -0.13 0.02 0.00 0.00 176.35 175.66 2pq0 s ARG 83 N -4.04 4.21 0.22 1.70 0.52 -1.26 -4.75 118.95 115.55 2pq0 s ARG 83 Ca 0.74 1.93 -0.18 0.00 -0.52 0.00 0.00 55.73 57.71 2pq0 s ARG 83 Cb -0.30 -3.87 0.22 0.00 0.52 0.00 0.00 34.95 31.53 2pq0 s ARG 83 CO 0.49 -0.77 1.57 0.07 0.02 0.00 0.00 175.30 176.68 2pq0 h ARG 84 N 8.84 -0.05 -0.76 3.54 -0.00 -1.95 0.56 114.38 124.56 2pq0 h ARG 84 Ca -0.33 0.00 0.14 0.00 -0.00 0.00 0.00 59.98 59.79 2pq0 h ARG 84 Cb 1.14 0.01 -0.09 0.00 -0.00 0.00 0.00 29.97 31.03 2pq0 h ARG 84 CO 0.96 -0.03 0.32 1.49 -0.00 0.00 0.00 179.97 182.71 2pq0 h GLU 85 N -0.05 0.47 -0.10 0.08 4.81 -2.00 -1.49 114.58 116.30 2pq0 h GLU 85 Ca 0.32 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2pq0 h GLU 85 Cb 0.59 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2pq0 h GLU 85 CO -0.88 0.31 -0.53 0.87 -0.73 0.00 0.00 179.01 178.05 2pq0 h LYS 86 N 0.49 0.30 -0.45 1.92 1.79 -1.32 -2.18 116.57 117.12 2pq0 h LYS 86 Ca 0.41 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.58 2pq0 h LYS 86 Cb 0.60 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2pq0 h LYS 86 CO -0.38 0.76 -0.22 0.28 -1.08 0.00 0.00 179.45 178.81 2pq0 h VAL 87 N 0.23 1.27 0.77 0.50 2.07 -0.43 -1.90 116.25 118.75 2pq0 h VAL 87 Ca 0.01 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 2pq0 h VAL 87 Cb 1.01 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2pq0 h VAL 87 CO 0.09 0.47 -0.37 -0.09 0.02 0.00 0.00 177.57 177.68 2pq0 h ARG 88 N 0.79 -0.99 -0.87 1.57 2.43 -1.14 -0.53 114.38 115.63 2pq0 h ARG 88 Ca 0.10 0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.55 2pq0 h ARG 88 Cb 0.77 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 30.43 2pq0 h ARG 88 CO 0.06 -0.65 0.38 0.00 -1.51 0.00 0.00 179.97 178.25 2pq0 h ALA 89 N -0.88 1.36 -0.26 2.80 0.00 -1.37 0.13 119.26 121.04 2pq0 h ALA 89 Ca -0.11 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pq0 h ALA 89 Cb 0.80 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2pq0 h ALA 89 CO 0.17 -0.30 0.09 1.25 0.00 0.00 0.00 179.25 180.46 2pq0 h LEU 90 N 0.42 0.37 0.41 0.00 5.85 -1.13 0.45 115.31 121.67 2pq0 h LEU 90 Ca 0.53 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 2pq0 h LEU 90 Cb 0.96 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2pq0 h LEU 90 CO -0.50 0.45 -0.38 0.74 -0.34 0.00 0.00 178.44 178.41 2pq0 h THR 91 N 0.26 0.00 -0.89 1.05 2.02 0.82 0.37 112.91 116.55 2pq0 h THR 91 Ca 0.09 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.43 2pq0 h THR 91 Cb 0.20 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.51 2pq0 h THR 91 CO -0.01 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.02 2pq0 h GLU 92 N -0.78 0.61 -0.43 6.66 5.08 -0.90 0.36 114.58 125.19 2pq0 h GLU 92 Ca -0.05 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2pq0 h GLU 92 Cb 0.67 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2pq0 h GLU 92 CO -0.03 0.41 -0.11 1.49 -1.00 0.00 0.00 179.01 179.77 2pq0 h GLU 93 N 0.63 0.84 -0.71 2.33 4.81 -0.47 -1.67 114.58 120.35 2pq0 h GLU 93 Ca 0.50 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2pq0 h GLU 93 Cb 0.74 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2pq0 h GLU 93 CO -0.38 0.95 0.17 0.00 -0.73 0.00 0.00 179.01 179.02 2pq0 h ALA 94 N 0.86 0.97 -0.21 2.92 0.00 0.12 -2.91 119.26 121.01 2pq0 h ALA 94 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2pq0 h ALA 94 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2pq0 h ALA 94 CO 0.04 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.30 2pq0 h HIS 95 N 1.07 0.17 -0.68 0.00 -0.00 -0.13 0.08 115.15 115.67 2pq0 h HIS 95 Ca 0.22 0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.77 2pq0 h HIS 95 Cb 0.37 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.70 2pq0 h HIS 95 CO 0.03 0.09 0.47 -0.22 -0.00 0.00 0.00 177.93 178.30 2pq0 h LYS 96 N 0.20 0.18 -0.04 5.26 3.64 -1.12 0.75 116.57 125.45 2pq0 h LYS 96 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2pq0 h LYS 96 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2pq0 h LYS 96 CO -0.07 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.32 2pq0 n ASN 97 N -4.41 2.01 -0.44 4.20 3.02 -0.63 -4.93 115.26 114.07 2pq0 n ASN 97 Ca 0.13 -1.67 -0.06 0.00 -0.03 0.00 0.00 54.58 52.95 2pq0 n ASN 97 Cb 0.62 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2pq0 n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pq0 n GLY 98 N 1.23 0.81 3.66 7.41 0.00 0.26 -5.00 105.19 113.57 2pq0 n GLY 98 Ca 0.17 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2pq0 n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pq0 s HIS 99 N -2.15 3.33 0.75 1.61 3.76 -0.08 -5.01 115.29 117.50 2pq0 s HIS 99 Ca 0.00 0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.13 2pq0 s HIS 99 Cb 0.00 -2.33 0.05 0.00 1.11 0.00 0.00 32.58 31.41 2pq0 s HIS 99 CO 0.00 0.05 1.12 -1.25 -0.85 0.00 0.00 174.74 173.81 2pq0 s PRO 100 N 1.10 2.34 0.05 8.40 0.04 -1.26 -3.97 135.00 141.71 2pq0 s PRO 100 Ca 0.10 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.33 2pq0 s PRO 100 Cb -0.14 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2pq0 s PRO 100 CO 0.05 -1.31 -0.06 -0.51 0.04 0.00 0.00 177.00 175.21 2pq0 s LEU 101 N -5.43 2.35 -0.09 -3.56 1.43 -1.26 -2.02 118.68 110.09 2pq0 s LEU 101 Ca 0.60 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2pq0 s LEU 101 Cb -0.11 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.08 2pq0 s LEU 101 CO 0.49 -0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 175.90 2pq0 s VAL 102 N -2.32 1.38 0.29 -1.59 1.01 -0.73 -0.62 120.40 117.82 2pq0 s VAL 102 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2pq0 s VAL 102 Cb -0.04 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.14 2pq0 s VAL 102 CO -0.03 0.41 0.40 0.49 0.00 0.00 0.00 175.10 176.38 2pq0 n PHE 103 N 4.08 -2.80 -3.73 5.22 3.72 0.10 -1.34 117.46 122.72 2pq0 n PHE 103 Ca -0.20 -0.96 0.00 0.00 -0.05 0.00 0.00 57.45 56.25 2pq0 n PHE 103 Cb 0.51 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 2pq0 n PHE 103 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2pq0 n ASP 105 N -2.76 0.00 0.10 4.37 5.75 -0.81 -1.53 116.55 121.67 2pq0 n ASP 105 Ca 0.08 -0.93 0.10 0.00 -0.01 0.00 0.00 54.79 54.03 2pq0 n ASP 105 Cb 0.28 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 40.81 2pq0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pq0 n ALA 106 N -3.00 1.51 -0.03 2.12 0.00 -1.26 -3.82 120.51 116.03 2pq0 n ALA 106 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2pq0 n ALA 106 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 2pq0 n ALA 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pq0 n GLU 107 N -2.05 2.85 0.00 0.00 1.02 -1.26 -3.50 120.64 117.70 2pq0 n GLU 107 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2pq0 n GLU 107 Cb 0.17 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2pq0 n GLU 107 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2pq0 n LYS 108 N -2.25 0.00 0.00 3.49 2.85 -1.25 -4.70 118.16 116.30 2pq0 n LYS 108 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 2pq0 n LYS 108 Cb 0.67 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 2pq0 n LYS 108 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2pq0 n ARG 110 N 0.00 0.00 -3.72 -1.58 5.12 -0.58 -1.93 116.66 113.97 2pq0 n ARG 110 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 2pq0 n ARG 110 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 2pq0 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pq0 s ALA 111 N -0.83 3.83 -0.85 7.54 0.00 -0.43 0.02 121.76 131.04 2pq0 s ALA 111 Ca 0.00 -0.60 0.26 0.00 0.00 0.00 0.00 51.96 51.62 2pq0 s ALA 111 Cb 0.00 -2.08 0.69 0.00 0.00 0.00 0.00 23.12 21.73 2pq0 s ALA 111 CO 0.00 0.69 1.57 -1.13 0.00 0.00 0.00 175.76 176.90 2pq0 n SER 112 N 0.23 0.49 -3.74 0.00 3.41 0.21 -0.23 113.62 113.98 2pq0 n SER 112 Ca -0.04 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 2pq0 n SER 112 Cb 0.52 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 2pq0 n SER 112 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pq0 s ILE 113 N -3.07 -0.06 0.54 -1.33 1.01 -1.26 -4.48 121.20 112.56 2pq0 s ILE 113 Ca 0.10 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 2pq0 s ILE 113 Cb 0.16 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 2pq0 s ILE 113 CO 0.65 0.08 0.86 -0.83 0.00 0.00 0.00 174.94 175.70 2pq0 s GLY 114 N 1.24 1.56 -1.49 6.18 0.00 -1.26 -4.40 107.32 109.14 2pq0 s GLY 114 Ca -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 2pq0 s GLY 114 CO -0.06 -0.30 0.15 1.34 0.00 0.00 0.00 173.10 174.23 2pq0 n ASP 115 N -2.45 0.25 -4.73 1.64 2.03 -1.26 -4.93 116.55 107.10 2pq0 n ASP 115 Ca 0.03 -1.22 -0.35 0.00 0.52 0.00 0.00 54.79 53.77 2pq0 n ASP 115 Cb 0.56 -1.93 -0.08 0.00 -0.72 0.00 0.00 41.12 38.95 2pq0 n ASP 115 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2pq0 s HIS 116 N -4.23 3.40 0.27 -0.67 2.46 -1.26 -5.02 115.29 110.25 2pq0 s HIS 116 Ca 0.04 0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.89 2pq0 s HIS 116 Cb -0.02 -2.14 0.63 0.00 -0.13 0.00 0.00 32.58 30.93 2pq0 s HIS 116 CO 0.97 0.31 1.68 -1.35 -2.47 0.00 0.00 174.74 173.88 2pq0 h PRO 117 N 6.56 0.30 -0.29 2.88 0.11 -1.98 -1.35 132.00 138.22 2pq0 h PRO 117 Ca -0.42 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 2pq0 h PRO 117 Cb 1.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2pq0 h PRO 117 CO 0.74 0.20 -0.37 0.45 -0.21 0.00 0.00 178.00 178.81 2pq0 h HIS 118 N 0.31 0.80 -0.31 0.65 3.86 -1.95 -2.19 115.15 116.32 2pq0 h HIS 118 Ca 0.51 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 59.39 2pq0 h HIS 118 Cb 0.96 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2pq0 h HIS 118 CO -0.21 0.95 -0.21 0.82 0.86 0.00 0.00 177.93 180.13 2pq0 h ILE 119 N 0.56 1.30 0.61 2.45 2.04 -1.70 -2.27 117.51 120.48 2pq0 h ILE 119 Ca 0.05 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2pq0 h ILE 119 Cb 0.89 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2pq0 h ILE 119 CO 0.08 0.43 -0.49 0.45 0.00 0.00 0.00 178.15 178.63 2pq0 h HIS 120 N 0.45 -1.32 0.09 1.37 3.86 -1.17 -3.23 115.15 115.19 2pq0 h HIS 120 Ca 0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2pq0 h HIS 120 Cb 0.76 0.50 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 2pq0 h HIS 120 CO 0.07 -0.68 -0.12 0.28 0.86 0.00 0.00 177.93 178.34 2pq0 h VAL 121 N -1.06 0.72 0.00 2.45 2.07 -1.45 -0.42 116.25 118.56 2pq0 h VAL 121 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2pq0 h VAL 121 Cb 0.89 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pq0 h VAL 121 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 2pq0 n SER 122 N -5.24 0.38 0.00 0.57 3.41 -0.86 -2.03 113.62 109.85 2pq0 n SER 122 Ca -0.07 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 2pq0 n SER 122 Cb 0.16 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2pq0 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pq0 n ALA 124 N 0.54 0.00 0.26 7.33 0.00 -0.17 -2.93 120.51 125.55 2pq0 n ALA 124 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2pq0 n ALA 124 Cb 0.08 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.23 2pq0 n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pq0 h SER 125 N 0.00 0.00 0.23 0.00 4.64 -1.65 0.47 113.55 117.24 2pq0 h SER 125 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pq0 h SER 125 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pq0 h SER 125 CO 0.00 0.12 -0.21 0.18 -0.87 0.00 0.00 176.83 176.05 2pq0 n LEU 126 N -3.70 1.00 -1.13 5.97 4.32 -1.15 -4.92 117.00 117.39 2pq0 n LEU 126 Ca -0.02 -0.25 -0.07 0.00 -0.02 0.00 0.00 56.01 55.65 2pq0 n LEU 126 Cb 0.24 -0.12 0.01 0.00 -1.62 0.00 0.00 43.42 41.93 2pq0 n LEU 126 CO 0.31 0.18 0.01 0.29 -1.22 0.00 0.00 177.39 176.96 2pq0 n LYS 127 N -0.61 -1.61 -4.60 3.23 4.76 0.17 -5.05 118.16 114.44 2pq0 n LYS 127 Ca 0.13 0.27 -0.26 0.00 -2.87 0.00 0.00 58.31 55.58 2pq0 n LYS 127 Cb 0.34 -3.77 -0.14 0.00 -1.84 0.00 0.00 35.03 29.63 2pq0 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2pq0 s PHE 128 N -2.78 1.91 0.82 2.13 0.40 -1.26 -4.97 117.98 114.24 2pq0 s PHE 128 Ca 0.10 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.93 2pq0 s PHE 128 Cb -0.05 -1.12 0.08 0.00 0.51 0.00 0.00 43.02 42.45 2pq0 s PHE 128 CO 0.13 0.13 1.14 0.00 0.70 0.00 0.00 175.22 177.32 2pq0 s ALA 129 N -0.88 2.36 0.09 5.36 0.00 -1.26 -2.90 121.76 124.53 2pq0 s ALA 129 Ca 0.08 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 2pq0 s ALA 129 Cb -0.09 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2pq0 s ALA 129 CO 0.02 -1.77 1.46 -1.58 0.00 0.00 0.00 175.76 173.89 2pq0 s HIS 130 N -3.37 3.00 0.65 0.00 2.46 -1.26 -4.90 115.29 111.87 2pq0 s HIS 130 Ca 0.62 0.77 -0.17 0.00 0.47 0.00 0.00 55.06 56.74 2pq0 s HIS 130 Cb -0.13 -3.76 -0.01 0.00 -0.13 0.00 0.00 32.58 28.56 2pq0 s HIS 130 CO 0.52 -2.79 1.23 -2.14 -2.47 0.00 0.00 174.74 169.09 2pq0 s PRO 131 N 1.63 2.61 0.56 2.88 0.02 -1.26 -4.95 135.00 136.50 2pq0 s PRO 131 Ca 0.67 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 2pq0 s PRO 131 Cb -0.37 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 2pq0 s PRO 131 CO 0.30 -1.50 1.31 -2.30 -0.33 0.00 0.00 177.00 174.48 2pq0 n PRO 132 N -2.01 1.55 -3.11 5.54 -0.02 -1.26 -4.36 135.00 131.33 2pq0 n PRO 132 Ca 0.14 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 2pq0 n PRO 132 Cb 0.49 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 2pq0 n PRO 132 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pq0 s VAL 133 N -1.31 4.99 -0.31 -1.45 0.11 -1.26 -1.32 120.40 119.84 2pq0 s VAL 133 Ca 0.73 1.14 0.00 0.00 -2.93 0.00 0.00 61.98 60.92 2pq0 s VAL 133 Cb -0.42 -3.93 0.14 0.00 -1.53 0.00 0.00 36.38 30.64 2pq0 s VAL 133 CO 0.48 0.04 0.31 -0.62 -3.33 0.00 0.00 175.10 171.97 2pq0 s ASP 134 N 1.44 1.66 0.51 3.54 -1.08 0.68 -4.89 116.67 118.53 2pq0 s ASP 134 Ca 0.26 -1.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.46 2pq0 s ASP 134 Cb -0.16 0.46 1.33 0.00 -1.46 0.00 0.00 42.92 43.10 2pq0 s ASP 134 CO 0.09 -0.35 2.08 -0.65 0.52 0.00 0.00 175.17 176.85 2pq0 h PRO 135 N 7.90 0.00 -0.32 4.34 0.11 -1.78 -2.94 132.00 139.31 2pq0 h PRO 135 Ca -0.08 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.89 2pq0 h PRO 135 Cb 1.06 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 2pq0 h PRO 135 CO 0.30 0.12 -0.08 1.28 -0.21 0.00 0.00 178.00 179.41 2pq0 n LEU 136 N -3.98 4.00 0.17 2.35 4.77 -1.26 -4.70 117.00 118.35 2pq0 n LEU 136 Ca -0.02 -3.66 0.05 0.00 -0.03 0.00 0.00 56.01 52.35 2pq0 n LEU 136 Cb 0.21 -0.62 0.52 0.00 -2.33 0.00 0.00 43.42 41.20 2pq0 n LEU 136 CO 0.32 1.17 1.02 0.22 -1.33 0.00 0.00 177.39 178.79 2pq0 h TYR 137 N 1.07 0.16 0.00 -1.77 5.03 -1.91 -2.68 116.97 116.88 2pq0 h TYR 137 Ca 0.18 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 2pq0 h TYR 137 Cb 1.59 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.82 2pq0 h TYR 137 CO 0.93 0.18 -0.10 0.10 -1.32 0.00 0.00 178.16 177.94 2pq0 h TYR 138 N 0.16 0.00 -0.77 -3.82 -0.00 -1.86 -3.32 116.97 107.36 2pq0 h TYR 138 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 58.73 58.91 2pq0 h TYR 138 Cb 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 36.76 2pq0 h TYR 138 CO 0.00 0.10 0.33 0.93 -0.00 0.00 0.00 178.16 179.52 2pq0 h GLU 139 N 0.00 0.48 -0.56 0.10 5.08 -1.85 -3.12 114.58 114.70 2pq0 h GLU 139 Ca -0.00 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.94 2pq0 h GLU 139 Cb 0.64 -0.11 -0.40 0.00 0.50 0.00 0.00 28.75 29.39 2pq0 h GLU 139 CO 0.01 0.32 -0.93 0.09 -1.00 0.00 0.00 179.01 177.49 2pq0 n ASN 140 N -4.96 3.31 -4.02 1.42 4.13 -1.25 -5.05 115.26 108.83 2pq0 n ASN 140 Ca 0.15 -3.01 -0.08 0.00 1.68 0.00 0.00 54.58 53.32 2pq0 n ASN 140 Cb 0.41 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 38.15 2pq0 n ASN 140 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2pq0 s LYS 141 N -3.55 0.58 -0.55 3.52 -0.14 -1.18 -5.11 119.74 113.31 2pq0 s LYS 141 Ca 0.40 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 53.79 2pq0 s LYS 141 Cb 0.37 0.21 0.07 0.00 -1.68 0.00 0.00 37.83 36.80 2pq0 s LYS 141 CO -0.00 -0.12 0.74 -0.51 -0.76 0.00 0.00 175.35 174.69 2pq0 s ASP 142 N -2.56 6.23 -0.41 2.83 1.01 -1.26 -4.84 116.67 117.67 2pq0 s ASP 142 Ca 0.01 -0.94 -0.20 0.00 0.71 0.00 0.00 52.55 52.13 2pq0 s ASP 142 Cb 0.03 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.65 2pq0 s ASP 142 CO -0.08 -1.07 0.63 -0.63 0.21 0.00 0.00 175.17 174.24 2pq0 s ILE 143 N 3.05 4.86 -0.22 0.77 -1.09 -1.26 -4.23 121.20 123.08 2pq0 s ILE 143 Ca 0.18 0.27 0.20 0.00 -2.23 0.00 0.00 60.65 59.07 2pq0 s ILE 143 Cb -0.19 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 2pq0 s ILE 143 CO 0.12 -0.48 1.07 1.88 -1.23 0.00 0.00 174.94 176.29 2pq0 h TYR 144 N 8.72 0.00 -3.28 3.97 -1.99 -1.92 -0.03 116.97 122.45 2pq0 h TYR 144 Ca -0.26 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.44 2pq0 h TYR 144 Cb 1.10 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.72 2pq0 h TYR 144 CO 0.73 0.22 0.03 -1.14 -0.00 0.00 0.00 178.16 178.00 2pq0 s GLN 145 N -3.18 1.27 0.05 4.88 0.74 -1.26 -4.60 119.66 117.55 2pq0 s GLN 145 Ca -0.00 -0.75 -0.00 0.00 0.05 0.00 0.00 55.36 54.66 2pq0 s GLN 145 Cb 0.09 0.52 -0.03 0.00 1.10 0.00 0.00 33.01 34.68 2pq0 s GLN 145 CO 0.78 -0.53 -0.04 0.00 -0.55 0.00 0.00 175.29 174.95 2pq0 s ALA 146 N -3.83 0.46 -0.14 1.58 0.00 -1.09 -4.60 121.76 114.14 2pq0 s ALA 146 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2pq0 s ALA 146 Cb -0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2pq0 s ALA 146 CO -0.07 -0.29 -0.22 -0.51 0.00 0.00 0.00 175.76 174.67 2pq0 s LEU 147 N -2.52 2.13 -0.27 0.00 1.43 -0.45 -0.59 118.68 118.40 2pq0 s LEU 147 Ca 0.01 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2pq0 s LEU 147 Cb 0.03 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2pq0 s LEU 147 CO -0.07 0.07 0.13 -0.22 0.23 0.00 0.00 176.35 176.50 2pq0 s LEU 148 N 0.85 3.80 -0.85 1.79 2.96 0.14 -1.77 118.68 125.60 2pq0 s LEU 148 Ca -0.06 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.50 2pq0 s LEU 148 Cb -0.15 -2.01 0.20 0.00 0.50 0.00 0.00 46.19 44.73 2pq0 s LEU 148 CO -0.03 -0.07 0.83 -0.36 -1.32 0.00 0.00 176.35 175.40 2pq0 s PHE 149 N 1.67 3.65 0.20 5.38 0.40 -0.86 -0.74 117.98 127.69 2pq0 s PHE 149 Ca 0.06 -1.89 -0.17 0.00 -0.60 0.00 0.00 56.93 54.33 2pq0 s PHE 149 Cb -0.16 -3.90 0.02 0.00 0.51 0.00 0.00 43.02 39.49 2pq0 s PHE 149 CO 0.07 -1.08 0.51 0.00 0.70 0.00 0.00 175.22 175.42 2pq0 s ARG 151 N -3.89 3.39 0.24 0.00 0.52 -1.26 -3.58 118.95 114.37 2pq0 s ARG 151 Ca 0.11 0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.70 2pq0 s ARG 151 Cb -0.01 -2.19 0.34 0.00 0.52 0.00 0.00 34.95 33.61 2pq0 s ARG 151 CO -0.01 -0.53 1.84 0.00 0.02 0.00 0.00 175.30 176.62 2pq0 h ALA 152 N -0.17 1.17 0.00 2.13 0.00 -1.93 -0.46 119.26 120.00 2pq0 h ALA 152 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2pq0 h ALA 152 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2pq0 h ALA 152 CO 0.62 0.23 0.00 0.39 0.00 0.00 0.00 179.25 180.49 2pq0 n GLU 153 N -4.65 0.15 0.00 0.00 4.71 -1.26 -1.94 120.64 117.65 2pq0 n GLU 153 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2pq0 n GLU 153 Cb 0.20 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 2pq0 n GLU 153 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2pq0 n GLU 154 N -0.73 3.05 0.21 3.49 1.02 -0.19 -4.78 120.64 122.70 2pq0 n GLU 154 Ca 0.02 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 2pq0 n GLU 154 Cb 0.01 -0.68 0.67 0.00 -0.02 0.00 0.00 31.44 31.42 2pq0 n GLU 154 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2pq0 h GLU 155 N 0.00 0.00 -0.97 3.49 4.11 -1.26 -3.36 114.58 116.60 2pq0 h GLU 155 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.58 2pq0 h GLU 155 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2pq0 h GLU 155 CO 0.00 0.00 -0.40 1.05 0.07 0.00 0.00 179.01 179.73 2pq0 h GLU 156 N 0.00 -0.01 -0.68 1.06 4.11 -1.87 -0.55 114.58 116.64 2pq0 h GLU 156 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 2pq0 h GLU 156 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2pq0 h GLU 156 CO 0.00 -0.01 0.17 -1.35 0.07 0.00 0.00 179.01 177.89 2pq0 h PRO 157 N -0.01 1.09 0.21 1.06 0.11 -1.98 -0.32 132.00 132.15 2pq0 h PRO 157 Ca 0.32 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2pq0 h PRO 157 Cb 0.58 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2pq0 h PRO 157 CO -0.96 0.97 -0.10 1.88 -0.21 0.00 0.00 178.00 179.57 2pq0 h TYR 158 N 1.02 -0.27 -0.28 0.65 0.05 -1.56 0.69 116.97 117.28 2pq0 h TYR 158 Ca 0.21 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.03 2pq0 h TYR 158 Cb 0.36 0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.15 2pq0 h TYR 158 CO 0.03 -0.12 0.02 0.28 -1.05 0.00 0.00 178.16 177.32 2pq0 h VAL 159 N -0.35 0.82 -0.38 -2.88 2.07 -1.07 -0.82 116.25 113.64 2pq0 h VAL 159 Ca -0.03 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2pq0 h VAL 159 Cb 0.27 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2pq0 h VAL 159 CO 0.05 0.02 0.24 -0.09 0.02 0.00 0.00 177.57 177.81 2pq0 h ARG 160 N 0.11 0.47 -0.01 1.57 2.43 -0.72 -3.11 114.38 115.13 2pq0 h ARG 160 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2pq0 h ARG 160 Cb 0.16 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2pq0 h ARG 160 CO -0.20 0.31 -0.07 0.09 -1.51 0.00 0.00 179.97 178.58 2pq0 n ASN 161 N -4.85 0.68 -3.20 -3.80 3.02 0.24 -4.37 115.26 102.97 2pq0 n ASN 161 Ca 0.00 -0.92 -0.23 0.00 -0.03 0.00 0.00 54.58 53.41 2pq0 n ASN 161 Cb 0.04 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 2pq0 n ASN 161 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2pq0 n TYR 162 N -0.66 0.45 0.27 3.10 4.01 -0.34 -4.92 117.16 119.08 2pq0 n TYR 162 Ca 0.17 -3.72 0.13 0.00 -0.16 0.00 0.00 57.90 54.33 2pq0 n TYR 162 Cb 0.27 -0.40 0.78 0.00 -0.31 0.00 0.00 39.34 39.68 2pq0 n TYR 162 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pq0 h PRO 163 N 3.71 0.00 0.00 -0.72 0.13 -1.76 -0.32 132.00 133.04 2pq0 h PRO 163 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2pq0 h PRO 163 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2pq0 h PRO 163 CO 0.53 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 2pq0 n GLU 164 N -3.77 0.22 -4.30 0.86 0.00 -1.26 -4.73 120.64 107.66 2pq0 n GLU 164 Ca -0.02 0.12 -0.24 0.00 0.00 0.00 0.00 57.16 57.02 2pq0 n GLU 164 Cb 0.18 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.04 2pq0 n GLU 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pq0 s PHE 165 N -2.65 2.59 0.03 -1.84 0.08 -0.13 -1.98 117.98 114.08 2pq0 s PHE 165 Ca 0.17 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.92 2pq0 s PHE 165 Cb 0.13 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2pq0 s PHE 165 CO 0.30 0.52 -0.18 1.03 -0.10 0.00 0.00 175.22 176.80 2pq0 s ARG 166 N -3.70 1.21 -0.13 0.44 1.81 0.86 -4.78 118.95 114.66 2pq0 s ARG 166 Ca 0.34 -0.83 0.03 0.00 -1.72 0.00 0.00 55.73 53.55 2pq0 s ARG 166 Cb -0.03 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2pq0 s ARG 166 CO 0.20 0.32 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.86 2pq0 s PHE 167 N -0.76 2.65 -0.27 -0.53 0.40 -1.26 -0.57 117.98 117.64 2pq0 s PHE 167 Ca 0.05 -1.17 0.00 0.00 -0.60 0.00 0.00 56.93 55.21 2pq0 s PHE 167 Cb -0.08 -1.78 0.08 0.00 0.51 0.00 0.00 43.02 41.74 2pq0 s PHE 167 CO 0.01 -0.51 0.02 0.08 0.70 0.00 0.00 175.22 175.52 2pq0 s VAL 168 N 0.61 1.35 0.20 -0.44 1.01 -0.71 -4.96 120.40 117.47 2pq0 s VAL 168 Ca -0.12 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 2pq0 s VAL 168 Cb -0.16 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 2pq0 s VAL 168 CO 0.03 -0.37 1.23 -0.60 0.00 0.00 0.00 175.10 175.39 2pq0 s ARG 169 N 1.43 4.46 0.00 2.72 3.52 -1.26 -1.18 118.95 128.64 2pq0 s ARG 169 Ca 0.02 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.56 2pq0 s ARG 169 Cb -0.18 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2pq0 s ARG 169 CO -0.12 -0.13 0.49 -2.67 -0.81 0.00 0.00 175.30 172.06 2pq0 n TRP 170 N 2.40 0.00 -3.50 5.12 4.27 -1.07 -4.93 117.44 119.74 2pq0 n TRP 170 Ca 0.04 -0.10 -0.11 0.00 -3.89 0.00 0.00 57.50 53.44 2pq0 n TRP 170 Cb 0.44 -0.01 -0.03 0.00 -1.36 0.00 0.00 31.31 30.35 2pq0 n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2pq0 s HIS 171 N -0.19 -0.46 0.28 -2.67 5.04 -1.02 -4.99 115.29 111.27 2pq0 s HIS 171 Ca 0.00 0.48 0.02 0.00 -1.54 0.00 0.00 55.06 54.02 2pq0 s HIS 171 Cb 0.00 0.51 0.65 0.00 0.04 0.00 0.00 32.58 33.78 2pq0 s HIS 171 CO 0.00 -0.60 1.73 -0.44 -2.34 0.00 0.00 174.74 173.09 2pq0 h ASP 172 N 2.28 0.45 -0.24 9.88 3.45 -1.97 -2.74 116.42 127.52 2pq0 h ASP 172 Ca -0.25 0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.23 2pq0 h ASP 172 Cb 1.23 0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 40.00 2pq0 h ASP 172 CO 0.34 0.11 -0.13 1.33 -1.57 0.00 0.00 179.24 179.32 2pq0 n VAL 173 N -4.95 2.38 -3.67 -1.35 0.24 -1.26 -4.22 118.33 105.50 2pq0 n VAL 173 Ca 0.20 -2.65 -0.14 0.00 -2.04 0.00 0.00 64.34 59.71 2pq0 n VAL 173 Cb 0.56 -0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 2pq0 n VAL 173 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pq0 s SER 174 N -2.60 -0.61 0.01 -1.34 0.15 -1.03 -2.52 113.70 105.75 2pq0 s SER 174 Ca 0.42 1.18 0.01 0.00 0.70 0.00 0.00 55.95 58.25 2pq0 s SER 174 Cb 0.38 1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 65.87 2pq0 s SER 174 CO 0.00 -0.21 -0.03 0.28 1.20 0.00 0.00 173.24 174.48 2pq0 s THR 175 N 0.28 0.19 0.17 6.45 -1.32 0.08 -2.45 115.64 119.04 2pq0 s THR 175 Ca -0.00 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 59.79 2pq0 s THR 175 Cb -0.04 -0.22 -0.07 0.00 -1.51 0.00 0.00 72.50 70.66 2pq0 s THR 175 CO 0.01 -0.13 1.01 -1.81 -2.21 0.00 0.00 174.62 171.49 2pq0 s ASP 176 N -0.54 7.44 -0.35 8.08 1.01 -0.33 -0.69 116.67 131.29 2pq0 s ASP 176 Ca -0.04 1.95 -0.07 0.00 0.71 0.00 0.00 52.55 55.10 2pq0 s ASP 176 Cb -0.04 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.34 2pq0 s ASP 176 CO -0.00 -0.08 0.13 -0.69 0.21 0.00 0.00 175.17 174.74 2pq0 s VAL 177 N -0.36 3.81 0.28 -1.27 1.01 0.24 -1.73 120.40 122.38 2pq0 s VAL 177 Ca 0.47 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2pq0 s VAL 177 Cb -0.26 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2pq0 s VAL 177 CO 0.33 -0.25 -0.02 -0.76 0.00 0.00 0.00 175.10 174.39 2pq0 s LEU 178 N 1.39 3.09 0.37 3.92 1.43 0.27 -2.66 118.68 126.49 2pq0 s LEU 178 Ca -0.01 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 2pq0 s LEU 178 Cb -0.20 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 2pq0 s LEU 178 CO 0.02 -0.04 0.99 -2.16 0.23 0.00 0.00 176.35 175.39 2pq0 s PRO 179 N -3.67 4.36 -0.02 1.29 0.04 -1.26 -0.10 135.00 135.63 2pq0 s PRO 179 Ca 0.32 1.37 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2pq0 s PRO 179 Cb -0.05 -2.60 -0.18 0.00 0.04 0.00 0.00 34.50 31.71 2pq0 s PRO 179 CO 0.19 0.06 1.14 0.00 0.04 0.00 0.00 177.00 178.44 2pq0 h ALA 180 N 2.69 -0.17 -2.36 8.56 0.00 -1.70 -3.43 119.26 122.86 2pq0 h ALA 180 Ca -0.48 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 53.72 2pq0 h ALA 180 Cb 1.20 0.07 0.07 0.00 0.00 0.00 0.00 17.79 19.12 2pq0 h ALA 180 CO 0.63 -0.35 0.38 0.20 0.00 0.00 0.00 179.25 180.11 2pq0 s GLY 181 N -3.09 2.12 0.00 0.00 0.00 -1.26 -4.94 107.32 100.15 2pq0 s GLY 181 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2pq0 s GLY 181 CO 0.58 0.72 0.00 0.61 0.00 0.00 0.00 173.10 175.01 2pq0 n GLY 182 N -0.96 2.65 3.51 0.20 0.00 -1.26 -5.00 105.19 104.32 2pq0 n GLY 182 Ca 0.09 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2pq0 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pq0 s SER 183 N 0.00 -0.38 0.33 1.61 1.04 -0.96 -4.98 113.70 110.36 2pq0 s SER 183 Ca 0.00 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2pq0 s SER 183 Cb 0.00 0.39 0.58 0.00 0.10 0.00 0.00 66.02 67.09 2pq0 s SER 183 CO 0.00 -0.61 1.91 0.11 0.98 0.00 0.00 173.24 175.63 2pq0 h LYS 184 N 2.08 0.67 -0.91 4.02 1.57 -1.82 -2.25 116.57 119.92 2pq0 h LYS 184 Ca -0.22 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2pq0 h LYS 184 Cb 1.23 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 2pq0 h LYS 184 CO 0.31 0.59 0.51 0.00 -0.57 0.00 0.00 179.45 180.29 2pq0 h ALA 185 N 1.50 1.17 0.00 3.86 0.00 -1.88 0.67 119.26 124.58 2pq0 h ALA 185 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2pq0 h ALA 185 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pq0 h ALA 185 CO -0.01 0.66 -0.30 1.49 0.00 0.00 0.00 179.25 181.08 2pq0 h GLU 186 N 1.27 0.00 0.09 0.00 4.57 -1.84 0.33 114.58 119.00 2pq0 h GLU 186 Ca 0.32 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.35 2pq0 h GLU 186 Cb 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2pq0 h GLU 186 CO -0.05 0.30 -0.64 0.78 -1.18 0.00 0.00 179.01 178.22 2pq0 h GLY 187 N 2.39 0.32 1.35 1.92 0.00 -0.68 -3.23 103.07 105.15 2pq0 h GLY 187 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2pq0 h GLY 187 CO 0.04 0.64 0.42 -2.22 0.00 0.00 0.00 176.54 175.42 2pq0 h ILE 188 N -0.40 1.17 -0.12 2.60 2.04 0.42 -3.44 117.51 119.79 2pq0 h ILE 188 Ca -0.11 -0.33 -0.42 0.00 1.00 0.00 0.00 64.86 65.00 2pq0 h ILE 188 Cb 1.46 0.22 0.05 0.00 -0.74 0.00 0.00 36.82 37.81 2pq0 h ILE 188 CO 0.12 0.17 1.26 -1.14 0.00 0.00 0.00 178.15 178.56 2pq0 n ARG 189 N -4.43 0.79 0.00 2.37 0.63 0.10 -4.70 116.66 111.42 2pq0 n ARG 189 Ca 0.07 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.28 2pq0 n ARG 189 Cb 0.05 -3.21 0.00 0.00 0.45 0.00 0.00 32.46 29.75 2pq0 n ARG 189 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2pq0 n ILE 192 N 7.37 0.00 0.00 5.15 -5.35 -1.26 -4.71 119.36 120.56 2pq0 n ILE 192 Ca 0.46 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.81 2pq0 n ILE 192 Cb 0.44 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.33 2pq0 n ILE 192 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2pq0 h GLU 193 N 0.34 0.63 0.00 6.28 4.81 -1.84 0.56 114.58 125.35 2pq0 h GLU 193 Ca 0.00 -0.47 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 2pq0 h GLU 193 Cb 0.00 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2pq0 h GLU 193 CO 0.00 1.09 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.65 2pq0 h LYS 194 N 0.45 0.00 0.00 1.92 1.63 -1.94 -3.02 116.57 115.60 2pq0 h LYS 194 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2pq0 h LYS 194 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2pq0 h LYS 194 CO 0.13 0.51 -0.68 -0.11 -3.45 0.00 0.00 179.45 175.85 2pq0 n LEU 195 N -3.49 0.60 -0.22 5.20 7.94 -1.11 -4.94 117.00 120.99 2pq0 n LEU 195 Ca 0.00 -0.03 -0.03 0.00 -1.11 0.00 0.00 56.01 54.85 2pq0 n LEU 195 Cb 0.62 -0.18 -0.01 0.00 0.53 0.00 0.00 43.42 44.37 2pq0 n LEU 195 CO 0.39 0.10 -0.03 0.61 -1.11 0.00 0.00 177.39 177.35 2pq0 n GLY 196 N 1.45 0.60 3.91 -3.96 0.00 0.76 -5.02 105.19 102.93 2pq0 n GLY 196 Ca 0.04 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2pq0 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pq0 s ILE 197 N -2.02 4.95 0.00 -0.61 1.01 0.16 -4.92 121.20 119.78 2pq0 s ILE 197 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2pq0 s ILE 197 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2pq0 s ILE 197 CO 0.00 -0.56 -0.07 -0.62 0.00 0.00 0.00 174.94 173.68 2pq0 s ASP 198 N -3.59 4.57 0.13 3.58 -1.08 -1.26 -4.41 116.67 114.60 2pq0 s ASP 198 Ca 0.46 -0.16 -0.15 0.00 -0.52 0.00 0.00 52.55 52.18 2pq0 s ASP 198 Cb -0.10 -1.05 0.07 0.00 -1.46 0.00 0.00 42.92 40.38 2pq0 s ASP 198 CO 0.36 0.28 1.01 1.17 0.52 0.00 0.00 175.17 178.51 2pq0 n LYS 199 N 1.59 -0.21 0.30 4.34 4.81 -1.26 0.13 118.16 127.86 2pq0 n LYS 199 Ca -0.16 0.99 0.19 0.00 -0.87 0.00 0.00 58.31 58.47 2pq0 n LYS 199 Cb 0.52 -1.47 1.02 0.00 0.02 0.00 0.00 35.03 35.13 2pq0 n LYS 199 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 2pq0 h LYS 200 N 0.00 0.00 -0.29 1.64 2.10 -1.94 -1.00 116.57 117.08 2pq0 h LYS 200 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2pq0 h LYS 200 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2pq0 h LYS 200 CO -0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.57 2pq0 n ASP 201 N -3.30 2.24 -4.79 7.07 10.43 0.34 -4.65 116.55 123.89 2pq0 n ASP 201 Ca -0.02 -1.85 -0.36 0.00 2.57 0.00 0.00 54.79 55.13 2pq0 n ASP 201 Cb 0.19 -0.19 -0.08 0.00 1.84 0.00 0.00 41.12 42.89 2pq0 n ASP 201 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2pq0 s VAL 202 N -1.63 5.06 0.21 2.53 1.01 -0.42 -2.28 120.40 124.89 2pq0 s VAL 202 Ca 0.33 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.46 2pq0 s VAL 202 Cb 0.18 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2pq0 s VAL 202 CO 0.26 0.59 -0.20 -0.31 0.00 0.00 0.00 175.10 175.44 2pq0 s TYR 203 N -0.80 2.10 -0.18 5.22 2.02 -0.02 -1.74 117.35 123.95 2pq0 s TYR 203 Ca 0.13 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 2pq0 s TYR 203 Cb -0.12 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 40.49 2pq0 s TYR 203 CO 0.03 0.49 0.49 0.00 -1.57 0.00 0.00 175.55 174.99 2pq0 s ALA 204 N -2.14 -1.22 -0.10 3.71 0.00 -0.77 -0.79 121.76 120.45 2pq0 s ALA 204 Ca 0.22 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.56 2pq0 s ALA 204 Cb -0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2pq0 s ALA 204 CO 0.10 -0.24 -0.19 -0.06 0.00 0.00 0.00 175.76 175.37 2pq0 s PHE 205 N 0.17 2.65 0.25 0.00 0.08 -0.31 0.83 117.98 121.64 2pq0 s PHE 205 Ca -0.01 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.22 2pq0 s PHE 205 Cb -0.03 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2pq0 s PHE 205 CO 0.01 -0.27 0.27 0.20 -0.10 0.00 0.00 175.22 175.33 2pq0 s GLY 206 N 0.21 1.35 0.00 4.36 0.00 -0.79 -2.46 107.32 109.99 2pq0 s GLY 206 Ca -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2pq0 s GLY 206 CO 0.07 -1.18 0.00 1.34 0.00 0.00 0.00 173.10 173.33 2pq0 n ASP 207 N -0.61 0.09 -4.81 1.64 2.03 -1.26 -4.51 116.55 109.12 2pq0 n ASP 207 Ca 0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.11 2pq0 n ASP 207 Cb 0.64 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 41.00 2pq0 n ASP 207 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2pq0 s GLY 208 N -0.90 1.87 0.41 0.27 0.00 -1.26 -3.67 107.32 104.05 2pq0 s GLY 208 Ca 0.00 -1.74 0.24 0.00 0.00 0.00 0.00 44.72 43.21 2pq0 s GLY 208 CO 0.00 -1.66 1.70 1.41 0.00 0.00 0.00 173.10 174.55 2pq0 h LEU 209 N 1.34 0.35 -0.57 0.66 4.07 -1.97 0.71 115.31 119.90 2pq0 h LEU 209 Ca -0.44 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2pq0 h LEU 209 Cb 1.25 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.07 2pq0 h LEU 209 CO 0.60 -0.06 0.00 -3.20 -1.08 0.00 0.00 178.44 174.71 2pq0 n ASN 210 N -4.68 0.32 -0.14 -0.43 4.05 -1.26 -2.32 115.26 110.80 2pq0 n ASN 210 Ca 0.31 0.61 0.11 0.00 0.45 0.00 0.00 54.58 56.07 2pq0 n ASN 210 Cb 1.14 -0.67 0.11 0.00 1.23 0.00 0.00 39.78 41.60 2pq0 n ASN 210 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2pq0 n ASP 211 N -1.89 1.05 0.15 1.20 8.00 0.25 -4.47 116.55 120.84 2pq0 n ASP 211 Ca 0.01 -0.85 -0.15 0.00 0.71 0.00 0.00 54.79 54.51 2pq0 n ASP 211 Cb 0.10 0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 41.63 2pq0 n ASP 211 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2pq0 h ILE 212 N 0.69 0.16 0.00 0.53 2.04 -1.56 0.17 117.51 119.54 2pq0 h ILE 212 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2pq0 h ILE 212 Cb 0.55 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2pq0 h ILE 212 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2pq0 n GLU 213 N -5.47 0.00 0.00 2.37 0.28 -1.26 -0.65 120.64 115.90 2pq0 n GLU 213 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2pq0 n GLU 213 Cb 0.39 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.45 2pq0 n GLU 213 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2pq0 n LEU 215 N 0.03 0.00 0.02 -1.84 4.32 0.58 -2.33 117.00 117.78 2pq0 n LEU 215 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 2pq0 n LEU 215 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 2pq0 n LEU 215 CO 0.00 0.00 0.17 -1.28 -1.22 0.00 0.00 177.39 175.06 2pq0 h SER 216 N 0.00 0.80 0.13 -1.43 0.87 -1.11 -3.34 113.55 109.47 2pq0 h SER 216 Ca 0.00 -0.72 -0.23 0.00 -1.23 0.00 0.00 61.79 59.61 2pq0 h SER 216 Cb 0.00 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2pq0 h SER 216 CO 0.00 1.41 -0.89 0.15 -0.53 0.00 0.00 176.83 176.97 2pq0 h PHE 217 N 0.26 0.81 -4.27 2.24 3.04 -1.70 -3.46 116.94 113.85 2pq0 h PHE 217 Ca -0.10 -0.40 -0.51 0.00 3.98 0.00 0.00 57.97 60.94 2pq0 h PHE 217 Cb 1.51 -0.11 0.11 0.00 2.56 0.00 0.00 35.95 40.02 2pq0 h PHE 217 CO 0.11 1.22 0.35 0.14 -2.02 0.00 0.00 178.31 178.11 2pq0 s VAL 218 N -3.46 3.54 0.34 1.41 -7.23 -1.26 -4.94 120.40 108.81 2pq0 s VAL 218 Ca -0.08 0.58 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 2pq0 s VAL 218 Cb 0.09 -3.14 0.26 0.00 0.56 0.00 0.00 36.38 34.15 2pq0 s VAL 218 CO 0.88 -0.57 2.00 1.23 -0.31 0.00 0.00 175.10 178.33 2pq0 h GLY 219 N -0.52 0.96 -6.93 2.32 0.00 -1.16 -3.38 103.07 94.37 2pq0 h GLY 219 Ca -0.45 -0.36 -0.55 0.00 0.00 0.00 0.00 47.33 45.97 2pq0 h GLY 219 CO 0.54 0.35 -0.77 -1.59 0.00 0.00 0.00 176.54 175.07 2pq0 s THR 220 N -5.78 0.30 -0.21 4.70 2.01 -0.71 -4.99 115.64 110.96 2pq0 s THR 220 Ca -0.10 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 2pq0 s THR 220 Cb 0.18 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 2pq0 s THR 220 CO 0.77 -0.71 0.38 -0.83 -0.69 0.00 0.00 174.62 173.54 2pq0 s GLY 221 N 1.91 2.05 -0.25 4.40 0.00 -1.25 -1.84 107.32 112.34 2pq0 s GLY 221 Ca 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 2pq0 s GLY 221 CO -0.32 0.81 0.06 0.14 0.00 0.00 0.00 173.10 173.79 2pq0 s VAL 222 N 1.38 4.20 0.00 1.40 1.01 0.24 0.06 120.40 128.69 2pq0 s VAL 222 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2pq0 s VAL 222 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2pq0 s VAL 222 CO 0.08 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2pq0 n ALA 223 N 4.91 0.00 -0.78 5.51 0.00 -0.17 -1.89 120.51 128.09 2pq0 n ALA 223 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pq0 n ALA 223 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2pq0 n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pq0 n GLY 225 N 5.00 -3.17 1.77 0.00 0.00 0.13 -2.35 105.19 106.56 2pq0 n GLY 225 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 2pq0 n GLY 225 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pq0 n ASN 226 N -1.11 3.26 -4.68 1.61 3.02 -1.26 -4.84 115.26 111.26 2pq0 n ASN 226 Ca 0.00 -3.66 -0.30 0.00 -0.03 0.00 0.00 54.58 50.59 2pq0 n ASN 226 Cb 0.00 -0.75 0.15 0.00 -0.61 0.00 0.00 39.78 38.57 2pq0 n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pq0 s ALA 227 N -3.26 1.37 0.56 5.41 0.00 -1.26 -4.93 121.76 119.65 2pq0 s ALA 227 Ca 0.52 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 2pq0 s ALA 227 Cb 0.45 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 2pq0 s ALA 227 CO 0.06 -2.56 1.19 1.58 0.00 0.00 0.00 175.76 176.03 2pq0 n HIS 228 N -4.05 1.66 -0.16 0.00 -0.00 -1.24 -4.81 115.22 106.62 2pq0 n HIS 228 Ca 0.08 0.45 0.10 0.00 0.46 0.00 0.00 57.72 58.80 2pq0 n HIS 228 Cb 0.54 -2.27 0.41 0.00 -0.12 0.00 0.00 29.99 28.56 2pq0 n HIS 228 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2pq0 h GLU 229 N 1.04 0.59 0.00 1.57 4.39 -1.97 0.64 114.58 120.85 2pq0 h GLU 229 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2pq0 h GLU 229 Cb 1.33 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2pq0 h GLU 229 CO 0.55 0.39 0.00 0.39 -1.16 0.00 0.00 179.01 179.18 2pq0 n GLU 230 N -4.49 0.22 0.00 2.33 -0.58 -1.26 -1.81 120.64 115.05 2pq0 n GLU 230 Ca 0.11 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.74 2pq0 n GLU 230 Cb 0.32 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.56 2pq0 n GLU 230 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2pq0 n VAL 231 N -1.35 1.77 -0.16 2.62 0.31 0.19 -3.94 118.33 117.77 2pq0 n VAL 231 Ca 0.09 -0.67 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 2pq0 n VAL 231 Cb 0.20 -1.68 0.05 0.00 -0.91 0.00 0.00 33.84 31.50 2pq0 n VAL 231 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2pq0 h LYS 232 N 0.07 0.96 -0.41 5.55 1.57 -1.23 -2.98 116.57 120.09 2pq0 h LYS 232 Ca -0.41 -0.35 0.08 0.00 -1.87 0.00 0.00 60.65 58.10 2pq0 h LYS 232 Cb 2.04 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 34.21 2pq0 h LYS 232 CO 0.09 1.02 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.83 2pq0 h ARG 233 N 0.85 0.03 0.00 3.15 2.43 -1.50 -0.50 114.38 118.85 2pq0 h ARG 233 Ca 0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2pq0 h ARG 233 Cb 0.66 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2pq0 h ARG 233 CO 0.05 0.02 0.00 1.33 -1.51 0.00 0.00 179.97 179.86 2pq0 n VAL 234 N -5.28 0.01 -2.79 0.20 0.24 -1.20 -4.87 118.33 104.64 2pq0 n VAL 234 Ca 0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.01 2pq0 n VAL 234 Cb 0.22 -0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 32.03 2pq0 n VAL 234 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pq0 s ALA 235 N -2.40 3.17 -0.92 2.33 0.00 -0.20 -4.48 121.76 119.26 2pq0 s ALA 235 Ca 0.34 0.15 0.25 0.00 0.00 0.00 0.00 51.96 52.70 2pq0 s ALA 235 Cb 0.20 -2.97 0.46 0.00 0.00 0.00 0.00 23.12 20.82 2pq0 s ALA 235 CO 0.43 0.06 1.39 -0.25 0.00 0.00 0.00 175.76 177.38 2pq0 n ASP 236 N -0.94 0.53 -3.63 0.00 8.00 0.11 -4.89 116.55 115.72 2pq0 n ASP 236 Ca 0.05 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.26 2pq0 n ASP 236 Cb 0.54 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 2pq0 n ASP 236 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2pq0 s PHE 237 N -3.04 -0.66 -0.24 1.24 2.19 -1.05 -4.96 117.98 111.46 2pq0 s PHE 237 Ca 0.10 1.61 -0.02 0.00 0.33 0.00 0.00 56.93 58.95 2pq0 s PHE 237 Cb 0.17 0.31 0.02 0.00 -1.31 0.00 0.00 43.02 42.21 2pq0 s PHE 237 CO 0.71 -0.32 -0.07 0.08 1.83 0.00 0.00 175.22 177.45 2pq0 s VAL 238 N 0.30 2.87 0.37 3.12 1.01 -1.26 -1.00 120.40 125.80 2pq0 s VAL 238 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2pq0 s VAL 238 Cb -0.05 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.96 2pq0 s VAL 238 CO -0.02 0.23 0.51 1.07 0.00 0.00 0.00 175.10 176.90 2pq0 n THR 239 N 4.67 0.00 -1.57 3.92 5.66 -0.99 -4.92 114.28 121.05 2pq0 n THR 239 Ca -0.17 -1.06 -0.29 0.00 -3.05 0.00 0.00 64.05 59.48 2pq0 n THR 239 Cb 0.47 -0.84 0.16 0.00 -1.55 0.00 0.00 70.33 68.57 2pq0 n THR 239 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2pq0 s LYS 240 N -3.69 0.75 0.76 1.09 1.02 -1.26 -0.70 119.74 117.71 2pq0 s LYS 240 Ca 0.37 0.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.33 2pq0 s LYS 240 Cb -0.03 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.52 2pq0 s LYS 240 CO 0.24 -2.42 1.10 -2.14 -0.92 0.00 0.00 175.35 171.20 2pq0 s PRO 241 N -5.44 2.29 0.55 -1.68 0.02 -1.26 -2.55 135.00 126.92 2pq0 s PRO 241 Ca 0.67 1.21 0.25 0.00 0.02 0.00 0.00 61.00 63.14 2pq0 s PRO 241 Cb -0.12 -1.90 1.45 0.00 0.02 0.00 0.00 34.50 33.96 2pq0 s PRO 241 CO 0.53 -1.62 2.06 -0.24 -0.33 0.00 0.00 177.00 177.40 2pq0 h VAL 242 N -1.00 0.70 0.00 3.83 3.04 -1.90 0.22 116.25 121.14 2pq0 h VAL 242 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2pq0 h VAL 242 Cb 1.23 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2pq0 h VAL 242 CO 0.51 0.00 0.00 -0.78 -1.01 0.00 0.00 177.57 176.29 2pq0 h ASP 243 N 0.00 0.00 -1.19 3.17 3.58 -1.92 -3.28 116.42 116.78 2pq0 h ASP 243 Ca 0.15 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.05 2pq0 h ASP 243 Cb 0.65 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.28 2pq0 h ASP 243 CO -0.00 0.00 -0.81 0.29 -2.88 0.00 0.00 179.24 175.84 2pq0 n LYS 244 N -2.84 3.24 -2.32 0.28 5.02 0.71 -4.92 118.16 117.32 2pq0 n LYS 244 Ca 0.01 -4.26 -0.20 0.00 -2.02 0.00 0.00 58.31 51.84 2pq0 n LYS 244 Cb 0.29 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 2pq0 n LYS 244 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pq0 n GLU 245 N -0.53 -1.57 -0.23 1.97 1.02 -1.24 -4.72 120.64 115.34 2pq0 n GLU 245 Ca 0.37 0.98 0.03 0.00 -0.02 0.00 0.00 57.16 58.52 2pq0 n GLU 245 Cb 0.78 -5.56 0.13 0.00 -0.02 0.00 0.00 31.44 26.77 2pq0 n GLU 245 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2pq0 h GLY 246 N 0.00 0.76 0.86 0.62 0.00 -1.54 0.12 103.07 103.89 2pq0 h GLY 246 Ca -0.47 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2pq0 h GLY 246 CO 0.56 -0.24 0.06 -2.22 0.00 0.00 0.00 176.54 174.70 2pq0 h ILE 247 N 0.12 1.20 0.86 2.60 1.08 -1.85 -1.37 117.51 120.15 2pq0 h ILE 247 Ca 0.37 -0.63 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 2pq0 h ILE 247 Cb 0.62 1.23 0.01 0.00 -3.07 0.00 0.00 36.82 35.61 2pq0 h ILE 247 CO -0.59 0.20 -0.41 -0.25 -0.69 0.00 0.00 178.15 176.41 2pq0 h TRP 248 N 0.15 -1.07 -0.67 1.37 2.91 -1.65 -0.98 115.95 116.01 2pq0 h TRP 248 Ca 0.06 -0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.18 2pq0 h TRP 248 Cb 0.25 0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 29.17 2pq0 h TRP 248 CO 0.01 -0.66 0.25 -0.92 -1.03 0.00 0.00 178.44 176.08 2pq0 h TYR 249 N -1.18 0.42 -0.35 2.65 5.03 -0.83 -0.30 116.97 122.41 2pq0 h TYR 249 Ca -0.12 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 2pq0 h TYR 249 Cb 0.88 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2pq0 h TYR 249 CO -0.01 0.07 0.15 0.78 -1.32 0.00 0.00 178.16 177.84 2pq0 h GLY 250 N 0.41 0.55 1.83 1.82 0.00 -1.17 -0.29 103.07 106.22 2pq0 h GLY 250 Ca 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2pq0 h GLY 250 CO -0.36 0.27 -0.06 1.41 0.00 0.00 0.00 176.54 177.80 2pq0 h LEU 251 N 0.42 0.20 0.51 3.11 3.38 -0.51 -1.17 115.31 121.25 2pq0 h LEU 251 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2pq0 h LEU 251 Cb 0.15 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2pq0 h LEU 251 CO -0.01 0.30 -0.25 0.50 0.09 0.00 0.00 178.44 179.07 2pq0 h LYS 252 N 0.21 -0.67 -0.97 1.13 3.64 -0.49 -0.91 116.57 118.51 2pq0 h LYS 252 Ca 0.05 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.71 2pq0 h LYS 252 Cb 0.25 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 2pq0 h LYS 252 CO 0.01 -0.39 0.64 1.96 -2.27 0.00 0.00 179.45 179.40 2pq0 h GLN 253 N -1.11 0.40 -0.00 1.90 1.08 -0.90 1.10 115.11 117.57 2pq0 h GLN 253 Ca -0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2pq0 h GLN 253 Cb 0.58 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2pq0 h GLN 253 CO 0.12 0.26 0.00 1.28 -0.95 0.00 0.00 178.83 179.54 2pq0 n LEU 254 N -4.55 0.00 -2.10 1.46 4.77 -0.46 -4.88 117.00 111.24 2pq0 n LEU 254 Ca 0.22 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 2pq0 n LEU 254 Cb 0.78 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 2pq0 n LEU 254 CO 0.29 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.11 2pq0 n GLN 255 N -0.79 -1.63 0.05 3.23 6.02 0.38 -4.86 117.38 119.77 2pq0 n GLN 255 Ca 0.14 1.05 -0.05 0.00 -0.01 0.00 0.00 57.00 58.13 2pq0 n GLN 255 Cb 0.06 -5.60 -0.09 0.00 1.02 0.00 0.00 30.24 25.63 2pq0 n GLN 255 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2pq0 h LEU 256 N 0.00 0.00 -0.53 1.08 3.38 -1.33 -3.50 115.31 114.41 2pq0 h LEU 256 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pq0 h LEU 256 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2pq0 h LEU 256 CO 0.58 0.84 0.00 2.30 0.09 0.00 0.00 178.44 182.25