#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx4 s ARG 4 N 0.00 3.79 -0.48 -4.13 6.06 -1.26 -5.06 118.95 117.87 2bx4 s ARG 4 Ca 0.00 -0.25 -0.28 0.00 -2.50 0.00 0.00 55.73 52.70 2bx4 s ARG 4 Cb 0.00 -3.22 0.03 0.00 0.06 0.00 0.00 34.95 31.82 2bx4 s ARG 4 CO 0.00 0.47 1.09 0.21 -2.50 0.00 0.00 175.30 174.57 2bx4 s LYS 5 N -0.15 3.66 -0.15 5.12 2.20 -1.26 -5.01 119.74 124.14 2bx4 s LYS 5 Ca 0.09 0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 56.05 2bx4 s LYS 5 Cb -0.12 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2bx4 s LYS 5 CO 0.01 -1.37 0.14 1.41 -0.36 0.00 0.00 175.35 175.18 2bx4 s MET 6 N 4.32 3.68 0.14 4.03 1.75 -1.26 -4.83 119.30 127.13 2bx4 s MET 6 Ca 0.45 -0.16 0.06 0.00 -1.25 0.00 0.00 55.69 54.79 2bx4 s MET 6 Cb -0.08 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 2bx4 s MET 6 CO 0.30 0.62 0.01 0.00 -0.65 0.00 0.00 175.02 175.30 2bx4 s ALA 7 N -0.58 3.25 0.57 4.11 0.00 -1.26 -4.75 121.76 123.10 2bx4 s ALA 7 Ca 0.13 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 2bx4 s ALA 7 Cb -0.12 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2bx4 s ALA 7 CO 0.02 0.58 1.21 -0.06 0.00 0.00 0.00 175.76 177.51 2bx4 s PHE 8 N -1.54 2.46 0.13 0.00 0.40 -1.26 -4.94 117.98 113.23 2bx4 s PHE 8 Ca 0.27 1.51 -0.33 0.00 -0.60 0.00 0.00 56.93 57.77 2bx4 s PHE 8 Cb -0.10 -3.48 -0.13 0.00 0.51 0.00 0.00 43.02 39.81 2bx4 s PHE 8 CO 0.19 -2.14 1.67 -2.30 0.70 0.00 0.00 175.22 173.33 2bx4 n PRO 9 N -1.37 2.32 0.00 0.24 -0.02 -1.26 -4.88 135.00 130.03 2bx4 n PRO 9 Ca 0.12 0.84 0.14 0.00 -2.02 0.00 0.00 63.50 62.58 2bx4 n PRO 9 Cb 0.49 -2.65 0.58 0.00 -0.02 0.00 0.00 33.50 31.91 2bx4 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bx4 n SER 10 N 4.17 0.73 -0.23 2.55 3.41 -1.26 -4.49 113.62 118.50 2bx4 n SER 10 Ca 0.18 -0.86 0.03 0.00 -0.26 0.00 0.00 58.87 57.96 2bx4 n SER 10 Cb 0.31 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.37 2bx4 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2bx4 h GLY 11 N 4.94 0.73 2.00 5.00 0.00 -2.00 -0.55 103.07 113.19 2bx4 h GLY 11 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2bx4 h GLY 11 CO 0.00 -0.23 -0.04 0.50 0.00 0.00 0.00 176.54 176.76 2bx4 h LYS 12 N 0.11 0.00 0.05 4.80 1.57 -1.97 -3.10 116.57 118.04 2bx4 h LYS 12 Ca 0.36 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.80 2bx4 h LYS 12 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2bx4 h LYS 12 CO -0.59 0.04 -1.98 0.28 -0.57 0.00 0.00 179.45 176.63 2bx4 n VAL 13 N -3.17 1.65 -0.33 0.50 0.31 -0.67 -4.34 118.33 112.28 2bx4 n VAL 13 Ca 0.00 -0.72 0.14 0.00 -0.01 0.00 0.00 64.34 63.75 2bx4 n VAL 13 Cb 0.32 -1.32 0.36 0.00 -0.91 0.00 0.00 33.84 32.29 2bx4 n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2bx4 h GLU 14 N 0.03 0.68 0.00 5.55 5.08 -1.05 -0.65 114.58 124.22 2bx4 h GLU 14 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2bx4 h GLU 14 Cb 2.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2bx4 h GLU 14 CO 0.06 0.45 0.00 0.78 -1.00 0.00 0.00 179.01 179.30 2bx4 h GLY 15 N 0.70 0.00 -1.23 -3.84 0.00 -1.76 -2.84 103.07 94.12 2bx4 h GLY 15 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2bx4 h GLY 15 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.22 2bx4 s MET 17 N -1.85 4.22 0.25 0.00 1.00 -1.07 0.21 119.30 122.06 2bx4 s MET 17 Ca 0.34 0.61 0.02 0.00 0.00 0.00 0.00 55.69 56.66 2bx4 s MET 17 Cb 0.20 -3.57 -0.05 0.00 0.00 0.00 0.00 34.83 31.41 2bx4 s MET 17 CO 0.30 -0.22 0.07 0.14 0.00 0.00 0.00 175.02 175.31 2bx4 s VAL 18 N 1.85 0.70 -0.08 -6.03 -7.23 -0.43 -4.77 120.40 104.42 2bx4 s VAL 18 Ca 0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2bx4 s VAL 18 Cb -0.16 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2bx4 s VAL 18 CO 0.10 -0.11 -0.10 0.00 -0.31 0.00 0.00 175.10 174.68 2bx4 s GLN 19 N -3.98 2.85 -0.22 4.82 -2.07 -0.35 0.70 119.66 121.41 2bx4 s GLN 19 Ca 0.34 -0.62 -0.05 0.00 -1.82 0.00 0.00 55.36 53.22 2bx4 s GLN 19 Cb 0.07 -2.55 -0.02 0.00 -1.09 0.00 0.00 33.01 29.42 2bx4 s GLN 19 CO 0.12 0.54 -0.00 0.08 -1.32 0.00 0.00 175.29 174.71 2bx4 s VAL 20 N -0.50 3.78 -0.26 3.63 1.01 0.27 -1.06 120.40 127.28 2bx4 s VAL 20 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2bx4 s VAL 20 Cb -0.12 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.59 2bx4 s VAL 20 CO 0.02 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 174.53 2bx4 s THR 21 N 1.32 2.20 -0.31 3.92 2.01 -0.28 -1.65 115.64 122.85 2bx4 s THR 21 Ca 0.04 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.42 2bx4 s THR 21 Cb -0.15 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.14 2bx4 s THR 21 CO 0.00 -0.03 0.01 0.00 -0.69 0.00 0.00 174.62 173.91 2bx4 n GLY 23 N 4.51 2.77 0.71 0.00 0.00 -1.26 -1.74 105.19 110.17 2bx4 n GLY 23 Ca -0.09 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2bx4 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bx4 n THR 24 N 0.00 0.00 -3.58 2.61 5.66 -1.26 -4.89 114.28 112.81 2bx4 n THR 24 Ca 0.00 -0.37 -0.38 0.00 -3.05 0.00 0.00 64.05 60.25 2bx4 n THR 24 Cb 0.00 1.22 -0.11 0.00 -1.55 0.00 0.00 70.33 69.89 2bx4 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bx4 s THR 25 N -2.18 5.24 -0.12 1.09 2.01 -0.71 -5.08 115.64 115.90 2bx4 s THR 25 Ca 0.26 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2bx4 s THR 25 Cb 0.19 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2bx4 s THR 25 CO 0.40 0.19 -0.15 0.28 -0.69 0.00 0.00 174.62 174.65 2bx4 s THR 26 N 1.74 1.52 0.22 -0.82 -1.32 -1.26 -0.64 115.64 115.08 2bx4 s THR 26 Ca 0.07 -0.64 -0.07 0.00 -1.21 0.00 0.00 61.69 59.83 2bx4 s THR 26 Cb -0.16 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.41 2bx4 s THR 26 CO 0.10 0.45 0.30 -1.48 -2.21 0.00 0.00 174.62 171.79 2bx4 s LEU 27 N 1.08 0.74 0.50 9.08 0.05 -0.66 -4.83 118.68 124.64 2bx4 s LEU 27 Ca -0.04 -1.16 -0.19 0.00 0.05 0.00 0.00 54.13 52.79 2bx4 s LEU 27 Cb -0.14 1.08 -0.08 0.00 -2.05 0.00 0.00 46.19 44.99 2bx4 s LEU 27 CO -0.03 -0.99 1.01 0.20 -0.55 0.00 0.00 176.35 175.99 2bx4 s ASN 28 N -3.09 6.41 0.05 1.48 0.01 0.08 -0.56 114.94 119.32 2bx4 s ASN 28 Ca 0.31 1.77 0.01 0.00 -0.71 0.00 0.00 52.86 54.24 2bx4 s ASN 28 Cb 0.03 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2bx4 s ASN 28 CO 0.11 -0.73 -0.06 -0.83 -1.51 0.00 0.00 177.10 174.07 2bx4 s GLY 29 N -2.45 0.53 -0.29 0.66 0.00 0.22 -4.24 107.32 101.75 2bx4 s GLY 29 Ca 0.63 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 2bx4 s GLY 29 CO 0.25 -1.02 0.16 -2.27 0.00 0.00 0.00 173.10 170.21 2bx4 s LEU 30 N -2.11 3.98 -0.42 0.66 0.20 0.77 -1.31 118.68 120.46 2bx4 s LEU 30 Ca -0.03 -0.28 -0.10 0.00 0.69 0.00 0.00 54.13 54.40 2bx4 s LEU 30 Cb -0.04 -2.04 0.07 0.00 -0.43 0.00 0.00 46.19 43.75 2bx4 s LEU 30 CO -0.02 -0.12 0.27 0.86 -0.29 0.00 0.00 176.35 177.04 2bx4 s TRP 31 N 1.67 3.30 -0.10 5.38 -0.00 0.13 -0.33 118.94 128.99 2bx4 s TRP 31 Ca 0.06 -1.31 0.01 0.00 -0.00 0.00 0.00 56.10 54.86 2bx4 s TRP 31 Cb -0.16 -2.86 0.02 0.00 -0.00 0.00 0.00 33.47 30.47 2bx4 s TRP 31 CO 0.08 -0.79 -0.11 -0.51 -0.00 0.00 0.00 176.95 175.61 2bx4 s LEU 32 N 1.49 1.49 0.00 5.86 1.43 -0.52 -4.57 118.68 123.86 2bx4 s LEU 32 Ca 0.03 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2bx4 s LEU 32 Cb -0.22 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2bx4 s LEU 32 CO 0.04 -0.03 0.00 0.47 0.23 0.00 0.00 176.35 177.05 2bx4 n ASP 33 N 4.39 0.00 -2.70 2.29 8.00 -1.26 -1.63 116.55 125.64 2bx4 n ASP 33 Ca -0.18 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.94 2bx4 n ASP 33 Cb 0.51 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.66 2bx4 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2bx4 n ASP 34 N 3.30 7.52 -3.87 -2.24 5.75 -1.26 -1.79 116.55 123.96 2bx4 n ASP 34 Ca 0.00 -3.82 -0.12 0.00 -0.01 0.00 0.00 54.79 50.84 2bx4 n ASP 34 Cb 0.00 -1.02 -0.13 0.00 -1.03 0.00 0.00 41.12 38.94 2bx4 n ASP 34 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2bx4 s THR 35 N -5.00 0.02 -0.14 2.12 2.01 -0.64 -2.26 115.64 111.75 2bx4 s THR 35 Ca 0.56 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 2bx4 s THR 35 Cb 0.46 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 72.84 2bx4 s THR 35 CO -0.27 -0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.76 2bx4 s VAL 36 N -0.30 1.29 -0.14 3.82 1.01 0.12 -1.44 120.40 124.76 2bx4 s VAL 36 Ca -0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2bx4 s VAL 36 Cb -0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2bx4 s VAL 36 CO 0.00 0.37 0.10 -0.31 0.00 0.00 0.00 175.10 175.26 2bx4 s TYR 37 N 1.59 3.43 0.12 5.22 1.51 0.55 -0.88 117.35 128.89 2bx4 s TYR 37 Ca 0.04 0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 56.29 2bx4 s TYR 37 Cb -0.13 -1.99 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2bx4 s TYR 37 CO -0.09 0.51 0.42 0.00 -1.11 0.00 0.00 175.55 175.27 2bx4 n PRO 39 N -0.16 2.17 0.04 0.00 -0.02 -1.26 -0.36 135.00 135.40 2bx4 n PRO 39 Ca -0.16 0.76 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2bx4 n PRO 39 Cb 0.63 -2.39 0.41 0.00 -0.02 0.00 0.00 33.50 32.13 2bx4 n PRO 39 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2bx4 n ARG 40 N 1.16 0.06 0.00 -0.52 1.85 -0.98 -2.83 116.66 115.41 2bx4 n ARG 40 Ca 0.07 0.25 0.09 0.00 -1.00 0.00 0.00 57.85 57.26 2bx4 n ARG 40 Cb 0.35 -1.61 0.49 0.00 -1.05 0.00 0.00 32.46 30.63 2bx4 n ARG 40 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2bx4 n HIS 41 N -1.73 0.00 0.21 2.89 1.44 -1.26 -3.01 115.22 113.76 2bx4 n HIS 41 Ca 0.04 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.81 2bx4 n HIS 41 Cb 0.23 -0.08 0.54 0.00 0.12 0.00 0.00 29.99 30.80 2bx4 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2bx4 h VAL 42 N 0.00 1.08 0.00 0.61 3.04 -1.91 -2.49 116.25 116.58 2bx4 h VAL 42 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2bx4 h VAL 42 Cb 0.05 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2bx4 h VAL 42 CO 0.00 0.10 -0.03 0.16 -1.01 0.00 0.00 177.57 176.79 2bx4 h ILE 43 N 0.06 0.00 -3.96 3.17 3.07 -1.83 -3.43 117.51 114.59 2bx4 h ILE 43 Ca 0.01 -0.64 -0.49 0.00 1.55 0.00 0.00 64.86 65.29 2bx4 h ILE 43 Cb 0.16 1.62 0.03 0.00 -0.27 0.00 0.00 36.82 38.36 2bx4 h ILE 43 CO 0.01 0.00 0.43 0.00 -1.05 0.00 0.00 178.15 177.54 2bx4 n THR 45 N -0.06 3.63 0.00 0.00 -2.24 -1.26 -4.89 114.28 109.45 2bx4 n THR 45 Ca 0.05 -5.57 0.00 0.00 -2.27 0.00 0.00 64.05 56.26 2bx4 n THR 45 Cb 0.49 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2bx4 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bx4 n ALA 46 N -0.24 0.00 0.17 6.98 0.00 -1.26 -3.55 120.51 122.61 2bx4 n ALA 46 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.82 2bx4 n ALA 46 Cb 0.39 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.13 2bx4 n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2bx4 h GLU 47 N 0.00 0.00 0.00 0.00 4.39 -2.03 -2.81 114.58 114.13 2bx4 h GLU 47 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bx4 h GLU 47 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2bx4 h GLU 47 CO 0.00 0.46 -0.13 -3.47 -1.16 0.00 0.00 179.01 174.71 2bx4 n ASP 48 N -3.75 0.46 0.25 1.42 -0.08 -1.23 -3.89 116.55 109.73 2bx4 n ASP 48 Ca -0.01 0.41 0.14 0.00 -1.51 0.00 0.00 54.79 53.82 2bx4 n ASP 48 Cb 0.52 -0.46 0.52 0.00 2.34 0.00 0.00 41.12 44.04 2bx4 n ASP 48 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 2bx4 h MET 49 N 0.00 0.00 -0.59 -0.67 4.05 -1.79 -2.82 114.93 113.10 2bx4 h MET 49 Ca 0.00 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2bx4 h MET 49 Cb 0.63 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 2bx4 h MET 49 CO 0.00 0.08 0.34 -0.07 0.23 0.00 0.00 176.91 177.48 2bx4 h LEU 50 N 0.00 0.52 -5.72 3.39 4.07 -1.74 0.24 115.31 116.07 2bx4 h LEU 50 Ca -0.00 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 2bx4 h LEU 50 Cb 0.68 -0.09 -0.18 0.00 1.08 0.00 0.00 40.66 42.15 2bx4 h LEU 50 CO 0.01 0.35 -0.41 0.54 -1.08 0.00 0.00 178.44 177.85 2bx4 s ASN 51 N -5.59 -1.37 0.30 -0.43 4.22 -1.23 -4.41 114.94 106.43 2bx4 s ASN 51 Ca -0.13 -0.87 -0.17 0.00 -2.14 0.00 0.00 52.86 49.56 2bx4 s ASN 51 Cb 0.14 1.76 -0.09 0.00 1.28 0.00 0.00 41.25 44.34 2bx4 s ASN 51 CO 0.75 -0.13 0.75 -2.16 -2.04 0.00 0.00 177.10 174.26 2bx4 s PRO 52 N 1.67 4.08 -0.73 3.55 0.05 -1.07 -5.01 135.00 137.55 2bx4 s PRO 52 Ca 0.18 0.75 -0.06 0.00 0.05 0.00 0.00 61.00 61.93 2bx4 s PRO 52 Cb -0.02 -2.54 0.19 0.00 0.05 0.00 0.00 34.50 32.18 2bx4 s PRO 52 CO -0.08 0.21 0.59 1.21 0.05 0.00 0.00 177.00 178.99 2bx4 s ASN 53 N -2.10 5.78 0.28 6.66 3.84 -1.26 -4.97 114.94 123.16 2bx4 s ASN 53 Ca 0.52 -2.97 -0.03 0.00 0.21 0.00 0.00 52.86 50.58 2bx4 s ASN 53 Cb -0.12 -1.96 0.37 0.00 -0.55 0.00 0.00 41.25 38.99 2bx4 s ASN 53 CO 0.18 -0.39 1.94 1.88 -2.79 0.00 0.00 177.10 177.93 2bx4 h TYR 54 N 7.05 1.15 -0.17 0.43 -1.99 -1.98 0.12 116.97 121.57 2bx4 h TYR 54 Ca 0.05 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 2bx4 h TYR 54 Cb 0.95 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 2bx4 h TYR 54 CO 0.80 0.70 -0.01 0.93 -0.00 0.00 0.00 178.16 180.58 2bx4 h GLU 55 N 1.22 0.30 -0.52 4.88 3.07 -1.99 -1.00 114.58 120.55 2bx4 h GLU 55 Ca 0.35 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 59.13 2bx4 h GLU 55 Cb -0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 2bx4 h GLU 55 CO -0.08 0.53 0.31 0.22 -1.40 0.00 0.00 179.01 178.59 2bx4 h ASP 56 N 0.04 0.50 -0.12 1.42 3.58 -1.87 -1.89 116.42 118.07 2bx4 h ASP 56 Ca 0.05 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2bx4 h ASP 56 Cb 0.41 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2bx4 h ASP 56 CO 0.01 0.36 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.46 2bx4 h LEU 57 N 0.62 0.53 -0.35 2.28 4.07 -0.73 -3.13 115.31 118.59 2bx4 h LEU 57 Ca 0.21 -0.16 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 2bx4 h LEU 57 Cb 0.02 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2bx4 h LEU 57 CO -0.09 0.73 -0.79 0.25 -1.08 0.00 0.00 178.44 177.45 2bx4 h LEU 58 N 0.48 0.42 -0.98 1.67 5.85 -0.99 -3.23 115.31 118.53 2bx4 h LEU 58 Ca 0.08 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2bx4 h LEU 58 Cb 0.61 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2bx4 h LEU 58 CO 0.04 1.06 0.65 0.40 -0.34 0.00 0.00 178.44 180.25 2bx4 h ILE 59 N 0.22 1.25 -0.11 4.05 2.04 -1.29 -1.51 117.51 122.15 2bx4 h ILE 59 Ca -0.04 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2bx4 h ILE 59 Cb 1.39 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2bx4 h ILE 59 CO 0.13 0.25 0.00 -2.11 0.00 0.00 0.00 178.15 176.42 2bx4 n ARG 60 N -4.40 1.35 -4.30 2.37 1.85 -1.21 -4.79 116.66 107.53 2bx4 n ARG 60 Ca 0.12 -0.53 -0.34 0.00 -1.00 0.00 0.00 57.85 56.09 2bx4 n ARG 60 Cb 0.01 -1.24 -0.11 0.00 -1.05 0.00 0.00 32.46 30.08 2bx4 n ARG 60 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2bx4 s LYS 61 N -1.85 3.57 0.49 2.89 -0.14 -0.57 -5.12 119.74 119.02 2bx4 s LYS 61 Ca 0.21 -0.45 0.07 0.00 -1.36 0.00 0.00 55.97 54.44 2bx4 s LYS 61 Cb 0.11 -2.95 0.01 0.00 -1.68 0.00 0.00 37.83 33.31 2bx4 s LYS 61 CO 0.16 0.37 0.39 -1.12 -0.76 0.00 0.00 175.35 174.38 2bx4 s SER 62 N 0.05 4.77 0.57 2.83 0.01 -1.26 -4.95 113.70 115.71 2bx4 s SER 62 Ca 0.02 -1.04 0.34 0.00 1.31 0.00 0.00 55.95 56.58 2bx4 s SER 62 Cb -0.13 -0.03 1.68 0.00 0.21 0.00 0.00 66.02 67.74 2bx4 s SER 62 CO 0.02 -0.89 2.12 0.78 0.41 0.00 0.00 173.24 175.68 2bx4 h ASN 63 N 0.90 0.00 -0.29 2.44 2.35 -1.97 -2.39 115.58 116.62 2bx4 h ASN 63 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2bx4 h ASN 63 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2bx4 h ASN 63 CO 0.58 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 176.41 2bx4 n HIS 64 N -3.32 0.37 1.07 1.19 1.44 -1.26 -3.62 115.22 111.09 2bx4 n HIS 64 Ca -0.01 -0.19 0.12 0.00 -2.01 0.00 0.00 57.72 55.63 2bx4 n HIS 64 Cb 0.22 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.55 2bx4 n HIS 64 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2bx4 n SER 65 N 0.67 0.80 -4.43 4.39 7.64 -0.90 -4.86 113.62 116.93 2bx4 n SER 65 Ca 0.16 -0.60 -0.35 0.00 1.01 0.00 0.00 58.87 59.09 2bx4 n SER 65 Cb 0.39 0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.79 2bx4 n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2bx4 s PHE 66 N -2.83 3.01 -0.61 1.43 0.40 -1.24 -4.08 117.98 114.06 2bx4 s PHE 66 Ca 0.15 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2bx4 s PHE 66 Cb 0.18 -2.05 0.16 0.00 0.51 0.00 0.00 43.02 41.81 2bx4 s PHE 66 CO 0.66 -0.25 0.46 -1.17 0.70 0.00 0.00 175.22 175.62 2bx4 s LEU 67 N 0.93 5.60 -0.14 -0.37 2.96 -0.14 -4.75 118.68 122.77 2bx4 s LEU 67 Ca 0.01 -2.57 -0.23 0.00 -0.22 0.00 0.00 54.13 51.11 2bx4 s LEU 67 Cb -0.14 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2bx4 s LEU 67 CO 0.01 -0.48 0.73 -0.69 -1.32 0.00 0.00 176.35 174.61 2bx4 s VAL 68 N 0.36 4.97 -0.05 1.68 1.01 -1.25 -1.13 120.40 126.00 2bx4 s VAL 68 Ca 0.14 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.57 2bx4 s VAL 68 Cb -0.20 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2bx4 s VAL 68 CO -0.04 0.13 0.02 -1.58 0.00 0.00 0.00 175.10 173.62 2bx4 s GLN 69 N 1.62 0.32 -1.01 2.72 0.74 -0.22 -1.66 119.66 122.18 2bx4 s GLN 69 Ca 0.36 0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.92 2bx4 s GLN 69 Cb -0.17 -0.67 0.31 0.00 1.10 0.00 0.00 33.01 33.58 2bx4 s GLN 69 CO 0.14 -0.25 1.58 0.00 -0.55 0.00 0.00 175.29 176.21 2bx4 n ALA 70 N 4.82 5.52 -0.04 1.58 0.00 0.16 -1.22 120.51 131.33 2bx4 n ALA 70 Ca -0.13 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.60 2bx4 n ALA 70 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2bx4 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bx4 n GLY 71 N 0.56 1.77 0.07 0.00 0.00 -1.26 -3.19 105.19 103.15 2bx4 n GLY 71 Ca 0.36 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2bx4 n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bx4 h ASN 72 N 0.00 0.12 -3.34 1.61 4.21 -2.03 -3.46 115.58 112.70 2bx4 h ASN 72 Ca 0.00 -0.13 -0.59 0.00 1.21 0.00 0.00 56.30 56.79 2bx4 h ASN 72 Cb 0.00 -0.04 -0.08 0.00 -1.12 0.00 0.00 38.32 37.08 2bx4 h ASN 72 CO 0.00 1.10 0.31 -0.69 -1.29 0.00 0.00 177.43 176.86 2bx4 s VAL 73 N -2.69 4.92 -0.15 2.81 1.01 -1.19 -5.05 120.40 120.06 2bx4 s VAL 73 Ca -0.01 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 2bx4 s VAL 73 Cb 0.09 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2bx4 s VAL 73 CO 0.84 0.04 0.29 -1.10 0.00 0.00 0.00 175.10 175.17 2bx4 s GLN 74 N 2.18 4.17 0.00 2.72 -0.21 -1.26 0.41 119.66 127.66 2bx4 s GLN 74 Ca 0.34 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.82 2bx4 s GLN 74 Cb -0.16 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.46 2bx4 s GLN 74 CO 0.11 0.31 0.00 1.28 -2.12 0.00 0.00 175.29 174.87 2bx4 n LEU 75 N 3.32 0.00 -3.73 2.90 4.32 -0.66 -4.99 117.00 118.16 2bx4 n LEU 75 Ca -0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.73 2bx4 n LEU 75 Cb 0.52 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.22 2bx4 n LEU 75 CO 0.39 0.00 0.10 0.00 -1.22 0.00 0.00 177.39 176.66 2bx4 s ARG 76 N 2.23 0.52 -0.08 3.23 1.70 -1.26 -4.80 118.95 120.49 2bx4 s ARG 76 Ca 0.00 0.53 -0.22 0.00 -0.47 0.00 0.00 55.73 55.57 2bx4 s ARG 76 Cb 0.00 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2bx4 s ARG 76 CO 0.00 -0.07 0.66 0.08 -1.08 0.00 0.00 175.30 174.88 2bx4 s VAL 77 N 0.09 5.07 -0.08 4.99 1.01 -1.26 -3.11 120.40 127.11 2bx4 s VAL 77 Ca -0.01 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.38 2bx4 s VAL 77 Cb -0.03 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 2bx4 s VAL 77 CO 0.01 0.26 0.18 2.30 0.00 0.00 0.00 175.10 177.85 2bx4 n ILE 78 N 3.80 0.00 -3.32 2.22 -5.35 0.10 -4.82 119.36 111.98 2bx4 n ILE 78 Ca -0.02 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.14 2bx4 n ILE 78 Cb 0.51 0.49 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 2bx4 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2bx4 s GLY 79 N -2.52 -0.35 0.25 3.28 0.00 -0.88 -4.97 107.32 102.13 2bx4 s GLY 79 Ca -0.01 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2bx4 s GLY 79 CO 0.28 2.96 0.96 -2.38 0.00 0.00 0.00 173.10 174.92 2bx4 s HIS 80 N 1.68 3.92 0.25 1.90 -3.43 -1.26 0.09 115.29 118.43 2bx4 s HIS 80 Ca 0.16 1.88 -0.12 0.00 -0.80 0.00 0.00 55.06 56.18 2bx4 s HIS 80 Cb -0.13 -3.01 -0.01 0.00 -1.43 0.00 0.00 32.58 28.00 2bx4 s HIS 80 CO -0.08 0.31 0.46 0.45 -2.00 0.00 0.00 174.74 173.88 2bx4 s SER 81 N -1.17 -0.06 -0.12 7.38 0.15 -0.02 -4.97 113.70 114.89 2bx4 s SER 81 Ca 0.42 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2bx4 s SER 81 Cb -0.26 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2bx4 s SER 81 CO 0.33 -1.13 -0.10 -0.32 1.20 0.00 0.00 173.24 173.21 2bx4 s MET 82 N -4.00 1.79 -0.59 5.44 1.75 -1.26 -1.87 119.30 120.56 2bx4 s MET 82 Ca 0.23 -0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.27 2bx4 s MET 82 Cb -0.00 -1.74 0.15 0.00 2.84 0.00 0.00 34.83 36.08 2bx4 s MET 82 CO 0.09 -0.23 0.41 -1.14 -0.65 0.00 0.00 175.02 173.50 2bx4 s GLN 83 N 1.54 2.49 4.00 4.11 0.74 0.60 -4.94 119.66 128.21 2bx4 s GLN 83 Ca 0.03 -2.38 0.00 0.00 0.05 0.00 0.00 55.36 53.06 2bx4 s GLN 83 Cb -0.13 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.25 2bx4 s GLN 83 CO -0.08 -1.16 0.00 0.09 -0.55 0.00 0.00 175.29 173.59 2bx4 n ASN 84 N 3.74 0.00 -1.22 6.67 3.02 -1.26 -0.98 115.26 125.22 2bx4 n ASN 84 Ca 0.06 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.69 2bx4 n ASN 84 Cb 0.39 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.87 2bx4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bx4 s LEU 86 N -2.77 2.22 -0.40 0.00 2.96 -0.15 -2.31 118.68 118.24 2bx4 s LEU 86 Ca 0.46 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 2bx4 s LEU 86 Cb 0.36 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.95 2bx4 s LEU 86 CO 0.11 0.18 0.35 -0.22 -1.32 0.00 0.00 176.35 175.46 2bx4 s LEU 87 N -1.50 4.86 -0.47 -0.68 2.96 0.51 -0.29 118.68 124.06 2bx4 s LEU 87 Ca 0.10 -0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 53.14 2bx4 s LEU 87 Cb -0.10 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.37 2bx4 s LEU 87 CO 0.03 -0.45 0.62 -0.60 -1.32 0.00 0.00 176.35 174.62 2bx4 s ARG 88 N 1.89 3.18 -0.35 1.98 3.52 -0.78 -2.57 118.95 125.81 2bx4 s ARG 88 Ca 0.09 -0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 54.92 2bx4 s ARG 88 Cb -0.18 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.21 2bx4 s ARG 88 CO 0.12 -1.11 0.17 -0.51 -0.81 0.00 0.00 175.30 173.16 2bx4 s LEU 89 N 2.68 4.46 -0.16 -0.88 1.43 -0.05 -0.84 118.68 125.32 2bx4 s LEU 89 Ca 0.18 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 2bx4 s LEU 89 Cb -0.17 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 2bx4 s LEU 89 CO 0.15 -0.32 1.08 -0.54 0.23 0.00 0.00 176.35 176.95 2bx4 s LYS 90 N 1.53 4.31 0.38 1.70 -0.14 0.11 0.10 119.74 127.74 2bx4 s LYS 90 Ca 0.02 1.45 0.08 0.00 -1.36 0.00 0.00 55.97 56.16 2bx4 s LYS 90 Cb -0.19 -3.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.31 2bx4 s LYS 90 CO 0.06 -0.53 0.28 0.14 -0.76 0.00 0.00 175.35 174.54 2bx4 s VAL 91 N 2.78 2.94 -0.01 3.17 -7.23 -0.96 0.00 120.40 121.09 2bx4 s VAL 91 Ca 0.48 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.98 2bx4 s VAL 91 Cb -0.18 -3.05 -0.23 0.00 0.56 0.00 0.00 36.38 33.48 2bx4 s VAL 91 CO 0.13 -0.09 1.08 -2.24 -0.31 0.00 0.00 175.10 173.67 2bx4 h ASP 92 N 1.24 0.43 -2.84 4.85 2.03 -1.86 -3.45 116.42 116.81 2bx4 h ASP 92 Ca -0.43 -0.76 -0.65 0.00 -0.73 0.00 0.00 57.03 54.46 2bx4 h ASP 92 Cb 1.26 -0.13 -0.09 0.00 -0.83 0.00 0.00 39.33 39.54 2bx4 h ASP 92 CO 0.60 1.13 -0.49 0.42 -1.03 0.00 0.00 179.24 179.87 2bx4 s THR 93 N -3.19 5.41 0.26 1.15 -4.23 -1.26 -5.02 115.64 108.76 2bx4 s THR 93 Ca -0.14 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 2bx4 s THR 93 Cb 0.03 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 2bx4 s THR 93 CO 0.79 0.57 0.93 -0.55 -0.54 0.00 0.00 174.62 175.83 2bx4 s SER 94 N -0.65 7.54 -0.20 3.99 0.15 -1.26 -4.57 113.70 118.70 2bx4 s SER 94 Ca 0.13 1.90 -0.29 0.00 0.70 0.00 0.00 55.95 58.38 2bx4 s SER 94 Cb -0.12 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2bx4 s SER 94 CO 0.02 0.09 1.57 0.21 1.20 0.00 0.00 173.24 176.34 2bx4 s ASN 95 N -1.32 6.48 0.29 5.45 2.47 -0.74 -4.90 114.94 122.67 2bx4 s ASN 95 Ca 0.44 1.69 0.25 0.00 0.42 0.00 0.00 52.86 55.65 2bx4 s ASN 95 Cb -0.23 -2.53 1.02 0.00 -1.45 0.00 0.00 41.25 38.05 2bx4 s ASN 95 CO 0.29 -1.16 1.74 1.55 -3.72 0.00 0.00 177.10 175.80 2bx4 h PRO 96 N 10.27 0.00 -0.27 0.43 0.13 -1.94 -2.68 132.00 137.94 2bx4 h PRO 96 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2bx4 h PRO 96 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2bx4 h PRO 96 CO 0.99 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 2bx4 n LYS 97 N -2.32 2.20 -1.66 0.86 5.02 -1.26 -4.96 118.16 116.04 2bx4 n LYS 97 Ca 0.02 -1.80 -0.43 0.00 -2.02 0.00 0.00 58.31 54.08 2bx4 n LYS 97 Cb 0.24 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2bx4 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2bx4 n THR 98 N 1.04 0.72 -2.19 -0.18 -1.04 -1.01 -4.80 114.28 106.82 2bx4 n THR 98 Ca 0.18 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.05 61.79 2bx4 n THR 98 Cb 0.50 -2.29 0.15 0.00 -1.82 0.00 0.00 70.33 66.88 2bx4 n THR 98 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bx4 n PRO 99 N 7.53 -0.64 -2.18 -2.82 -0.04 -1.26 -5.01 135.00 130.59 2bx4 n PRO 99 Ca 0.21 -2.15 -0.42 0.00 -0.04 0.00 0.00 63.50 61.09 2bx4 n PRO 99 Cb 0.40 -0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 2bx4 n PRO 99 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bx4 s LYS 100 N -5.26 4.22 0.07 0.54 1.02 -1.26 -4.99 119.74 114.08 2bx4 s LYS 100 Ca 0.64 1.99 0.04 0.00 0.02 0.00 0.00 55.97 58.66 2bx4 s LYS 100 Cb -0.03 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 2bx4 s LYS 100 CO 0.44 -0.75 -0.12 1.52 -0.92 0.00 0.00 175.35 175.52 2bx4 s TYR 101 N 3.52 1.07 -0.01 3.18 -0.85 -1.26 -0.83 117.35 122.17 2bx4 s TYR 101 Ca 0.66 -0.51 -0.03 0.00 -0.52 0.00 0.00 57.07 56.67 2bx4 s TYR 101 Cb -0.29 -0.60 -0.00 0.00 0.38 0.00 0.00 41.96 41.44 2bx4 s TYR 101 CO 0.24 0.02 0.06 -1.59 -1.52 0.00 0.00 175.55 172.76 2bx4 s LYS 102 N -1.95 0.25 -0.26 -3.49 -2.85 -0.40 -4.94 119.74 106.11 2bx4 s LYS 102 Ca -0.02 -0.23 -0.15 0.00 -1.00 0.00 0.00 55.97 54.58 2bx4 s LYS 102 Cb -0.08 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.75 2bx4 s LYS 102 CO 0.01 -0.05 0.35 -0.06 0.10 0.00 0.00 175.35 175.71 2bx4 s PHE 103 N -0.76 3.27 0.21 1.78 0.08 -1.26 -1.13 117.98 120.17 2bx4 s PHE 103 Ca -0.08 0.41 0.11 0.00 0.12 0.00 0.00 56.93 57.48 2bx4 s PHE 103 Cb -0.05 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2bx4 s PHE 103 CO 0.00 -0.18 -0.22 0.14 -0.10 0.00 0.00 175.22 174.87 2bx4 s VAL 104 N 1.89 2.28 -0.35 -0.44 -7.23 -0.47 -4.97 120.40 111.10 2bx4 s VAL 104 Ca 0.15 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2bx4 s VAL 104 Cb -0.16 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.71 2bx4 s VAL 104 CO 0.09 -0.24 0.13 -0.60 -0.31 0.00 0.00 175.10 174.18 2bx4 s ARG 105 N -2.94 2.57 0.23 4.82 3.52 -1.26 -4.18 118.95 121.70 2bx4 s ARG 105 Ca 0.22 -1.27 -0.30 0.00 -0.13 0.00 0.00 55.73 54.25 2bx4 s ARG 105 Cb -0.07 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 2bx4 s ARG 105 CO 0.11 -0.74 0.99 0.96 -0.81 0.00 0.00 175.30 175.81 2bx4 s ILE 106 N 1.38 3.97 0.57 4.11 -5.25 -1.26 -5.05 121.20 119.67 2bx4 s ILE 106 Ca -0.00 1.91 -0.16 0.00 -0.99 0.00 0.00 60.65 61.41 2bx4 s ILE 106 Cb -0.20 -4.22 -0.05 0.00 2.95 0.00 0.00 42.46 40.94 2bx4 s ILE 106 CO 0.02 0.43 1.05 -1.10 -1.79 0.00 0.00 174.94 173.55 2bx4 s GLN 107 N -1.05 3.43 0.30 0.37 -1.52 -1.26 -4.98 119.66 114.96 2bx4 s GLN 107 Ca 0.43 1.20 -0.30 0.00 -1.95 0.00 0.00 55.36 54.74 2bx4 s GLN 107 Cb -0.27 -2.05 -0.11 0.00 -0.22 0.00 0.00 33.01 30.36 2bx4 s GLN 107 CO 0.34 -0.72 1.53 -2.14 -0.25 0.00 0.00 175.29 174.06 2bx4 s PRO 108 N -3.98 4.16 0.00 2.91 0.02 -1.26 -2.18 135.00 134.66 2bx4 s PRO 108 Ca 0.64 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.16 2bx4 s PRO 108 Cb -0.15 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2bx4 s PRO 108 CO 0.34 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2bx4 n GLY 109 N 1.80 3.06 3.90 0.52 0.00 0.38 -4.89 105.19 109.95 2bx4 n GLY 109 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2bx4 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bx4 s GLN 110 N -0.65 3.46 0.26 1.61 -0.21 -0.93 -4.79 119.66 118.41 2bx4 s GLN 110 Ca 0.00 0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.75 2bx4 s GLN 110 Cb 0.00 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 2bx4 s GLN 110 CO 0.00 -0.33 -0.15 0.95 -2.12 0.00 0.00 175.29 173.64 2bx4 s THR 111 N -2.84 2.74 0.19 -0.19 -4.23 -1.26 -1.27 115.64 108.78 2bx4 s THR 111 Ca 0.49 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 2bx4 s THR 111 Cb -0.10 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.33 2bx4 s THR 111 CO 0.46 -0.33 0.47 0.72 -0.54 0.00 0.00 174.62 175.40 2bx4 s PHE 112 N -2.29 0.04 -0.11 3.99 -0.12 -0.78 -4.93 117.98 113.78 2bx4 s PHE 112 Ca 0.29 -0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 56.69 2bx4 s PHE 112 Cb -0.06 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2bx4 s PHE 112 CO 0.15 -0.89 0.18 -1.12 -0.05 0.00 0.00 175.22 173.50 2bx4 s SER 113 N -2.91 6.45 -0.16 1.98 0.01 -0.18 -1.54 113.70 117.35 2bx4 s SER 113 Ca 0.12 0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 2bx4 s SER 113 Cb -0.00 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2bx4 s SER 113 CO -0.01 0.38 -0.10 -0.69 0.41 0.00 0.00 173.24 173.22 2bx4 s VAL 114 N -0.92 3.16 -0.55 3.43 1.01 0.89 -0.29 120.40 127.12 2bx4 s VAL 114 Ca 0.16 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2bx4 s VAL 114 Cb -0.13 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.01 2bx4 s VAL 114 CO 0.05 0.50 0.54 -0.22 0.00 0.00 0.00 175.10 175.97 2bx4 s LEU 115 N 0.69 5.94 -0.15 3.92 2.96 -0.83 -2.02 118.68 129.18 2bx4 s LEU 115 Ca -0.05 -1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 51.91 2bx4 s LEU 115 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 2bx4 s LEU 115 CO 0.02 -0.91 1.06 0.00 -1.32 0.00 0.00 176.35 175.21 2bx4 s ALA 116 N 1.88 3.55 0.27 5.97 0.00 -0.14 -3.65 121.76 129.64 2bx4 s ALA 116 Ca 0.05 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.44 2bx4 s ALA 116 Cb -0.28 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 2bx4 s ALA 116 CO 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 175.76 174.80 2bx4 s TYR 118 N -2.69 0.34 -1.28 0.00 1.51 -0.93 -4.40 117.35 109.89 2bx4 s TYR 118 Ca 0.29 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.95 2bx4 s TYR 118 Cb -0.02 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2bx4 s TYR 118 CO 0.13 -0.49 1.09 0.09 -1.11 0.00 0.00 175.55 175.26 2bx4 n ASN 119 N 5.24 -4.26 0.00 2.29 5.03 -1.26 -3.39 115.26 118.90 2bx4 n ASN 119 Ca -0.07 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.80 2bx4 n ASN 119 Cb 0.49 -5.06 0.00 0.00 -1.02 0.00 0.00 39.78 34.19 2bx4 n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bx4 n GLY 120 N -1.59 3.16 3.49 7.41 0.00 -1.26 -4.63 105.19 111.78 2bx4 n GLY 120 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2bx4 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bx4 s SER 121 N -1.08 5.86 0.32 1.61 0.15 -1.22 -4.11 113.70 115.23 2bx4 s SER 121 Ca 0.00 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 2bx4 s SER 121 Cb 0.00 -2.08 -0.12 0.00 -1.71 0.00 0.00 66.02 62.11 2bx4 s SER 121 CO 0.00 -0.22 1.48 -2.65 1.20 0.00 0.00 173.24 173.04 2bx4 n PRO 122 N 5.06 2.48 0.00 5.44 -0.02 -1.26 -2.20 135.00 144.50 2bx4 n PRO 122 Ca -0.13 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2bx4 n PRO 122 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2bx4 n PRO 122 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bx4 n SER 123 N 1.40 3.32 -3.43 2.55 3.41 -0.63 -4.93 113.62 115.31 2bx4 n SER 123 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 2bx4 n SER 123 Cb 0.36 0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 2bx4 n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bx4 s GLY 124 N -2.11 -0.61 -0.01 5.00 0.00 -1.11 -5.05 107.32 103.42 2bx4 s GLY 124 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.27 2bx4 s GLY 124 CO 0.00 0.20 -0.01 0.54 0.00 0.00 0.00 173.10 173.83 2bx4 s VAL 125 N -3.63 0.15 0.14 1.40 0.11 -1.26 -0.97 120.40 116.34 2bx4 s VAL 125 Ca 0.01 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 2bx4 s VAL 125 Cb -0.01 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2bx4 s VAL 125 CO -0.12 0.09 0.32 -0.72 -3.33 0.00 0.00 175.10 171.33 2bx4 s TYR 126 N 0.46 0.17 -0.17 1.54 -0.85 -0.86 -5.00 117.35 112.64 2bx4 s TYR 126 Ca -0.04 -0.54 -0.07 0.00 -0.52 0.00 0.00 57.07 55.90 2bx4 s TYR 126 Cb -0.07 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 2bx4 s TYR 126 CO -0.01 -0.71 0.05 -1.14 -1.52 0.00 0.00 175.55 172.22 2bx4 s GLN 127 N -3.90 3.87 0.26 -3.49 2.00 -1.26 -0.08 119.66 117.05 2bx4 s GLN 127 Ca 0.11 -0.36 0.06 0.00 -2.00 0.00 0.00 55.36 53.17 2bx4 s GLN 127 Cb 0.03 -3.15 -0.02 0.00 0.80 0.00 0.00 33.01 30.66 2bx4 s GLN 127 CO -0.05 0.32 0.21 0.00 -0.50 0.00 0.00 175.29 175.27 2bx4 s ALA 129 N -3.02 1.08 -0.34 0.00 0.00 -1.26 -1.86 121.76 116.36 2bx4 s ALA 129 Ca 0.30 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 2bx4 s ALA 129 Cb 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2bx4 s ALA 129 CO 0.21 0.12 1.05 1.41 0.00 0.00 0.00 175.76 178.54 2bx4 s MET 130 N -1.80 4.01 0.63 0.00 0.00 -0.39 -4.54 119.30 117.20 2bx4 s MET 130 Ca -0.03 0.95 -0.15 0.00 0.00 0.00 0.00 55.69 56.46 2bx4 s MET 130 Cb -0.09 -3.76 -0.01 0.00 0.00 0.00 0.00 34.83 30.97 2bx4 s MET 130 CO 0.02 -0.93 1.09 1.03 0.00 0.00 0.00 175.02 176.23 2bx4 s ARG 131 N 3.65 3.00 0.47 4.11 1.81 -0.30 -0.47 118.95 131.21 2bx4 s ARG 131 Ca 0.44 1.33 0.23 0.00 -1.72 0.00 0.00 55.73 56.01 2bx4 s ARG 131 Cb -0.12 -1.98 1.24 0.00 -0.45 0.00 0.00 34.95 33.64 2bx4 s ARG 131 CO 0.17 -1.08 1.88 -1.35 -0.68 0.00 0.00 175.30 174.24 2bx4 h PRO 132 N 0.20 0.23 -0.02 3.54 0.11 -1.89 -0.49 132.00 133.68 2bx4 h PRO 132 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bx4 h PRO 132 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bx4 h PRO 132 CO 0.55 0.15 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 2bx4 n ASN 133 N -4.42 0.40 0.00 -2.05 0.23 -1.26 -4.91 115.26 103.24 2bx4 n ASN 133 Ca 0.18 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 2bx4 n ASN 133 Cb 0.76 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2bx4 n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2bx4 n HIS 134 N -0.60 0.00 -2.51 -2.53 8.25 -0.19 -4.60 115.22 113.04 2bx4 n HIS 134 Ca 0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.40 2bx4 n HIS 134 Cb 0.15 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.36 2bx4 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2bx4 s THR 135 N -2.33 2.22 0.04 1.59 -4.23 -1.26 -4.69 115.64 106.97 2bx4 s THR 135 Ca 0.00 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 2bx4 s THR 135 Cb 0.00 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 2bx4 s THR 135 CO 0.00 0.00 -0.13 0.27 -0.54 0.00 0.00 174.62 174.22 2bx4 s ILE 136 N -3.15 1.01 -0.64 2.99 -4.36 -0.49 -1.15 121.20 115.42 2bx4 s ILE 136 Ca 0.65 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 60.06 2bx4 s ILE 136 Cb -0.06 -0.93 0.28 0.00 1.25 0.00 0.00 42.46 43.00 2bx4 s ILE 136 CO 0.44 -0.02 2.23 0.29 0.24 0.00 0.00 174.94 178.12 2bx4 n LYS 137 N 1.93 2.53 0.00 0.37 5.02 -1.26 -0.70 118.16 126.04 2bx4 n LYS 137 Ca -0.18 -2.91 0.02 0.00 -2.02 0.00 0.00 58.31 53.22 2bx4 n LYS 137 Cb 0.55 -2.16 0.12 0.00 -0.02 0.00 0.00 35.03 33.52 2bx4 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bx4 n GLY 138 N -0.13 -0.17 4.90 0.72 0.00 -1.26 -4.86 105.19 104.39 2bx4 n GLY 138 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2bx4 n GLY 138 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bx4 n SER 139 N -1.04 0.00 -3.77 1.61 2.88 -1.26 -4.14 113.62 107.90 2bx4 n SER 139 Ca 0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 2bx4 n SER 139 Cb 0.02 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.33 2bx4 n SER 139 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bx4 s PHE 140 N 0.00 2.00 -0.10 0.66 -0.12 -1.26 -4.78 117.98 114.37 2bx4 s PHE 140 Ca 0.00 -1.97 0.14 0.00 -0.05 0.00 0.00 56.93 55.05 2bx4 s PHE 140 Cb 0.00 -1.89 0.26 0.00 -0.63 0.00 0.00 43.02 40.76 2bx4 s PHE 140 CO 0.00 -0.88 1.13 1.28 -0.05 0.00 0.00 175.22 176.70 2bx4 n LEU 141 N 4.64 1.77 -4.63 -1.99 4.77 -1.26 -5.04 117.00 115.26 2bx4 n LEU 141 Ca -0.00 -2.66 -0.43 0.00 -0.03 0.00 0.00 56.01 52.89 2bx4 n LEU 141 Cb 0.41 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2bx4 n LEU 141 CO 0.14 0.71 1.38 0.21 -1.33 0.00 0.00 177.39 178.49 2bx4 s ASN 142 N -2.44 6.40 -0.65 -1.43 3.04 -1.26 -2.07 114.94 116.53 2bx4 s ASN 142 Ca 0.26 1.71 0.00 0.00 0.04 0.00 0.00 52.86 54.87 2bx4 s ASN 142 Cb 0.24 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.42 2bx4 s ASN 142 CO -0.01 -1.23 0.00 0.61 -3.04 0.00 0.00 177.10 173.43 2bx4 n GLY 143 N 4.61 0.58 0.02 1.21 0.00 -1.26 -4.92 105.19 105.43 2bx4 n GLY 143 Ca 0.19 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2bx4 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bx4 n SER 144 N 0.86 2.08 -4.58 1.61 3.41 -0.88 -4.59 113.62 111.53 2bx4 n SER 144 Ca -0.07 -2.19 -0.60 0.00 -0.26 0.00 0.00 58.87 55.75 2bx4 n SER 144 Cb 0.35 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 2bx4 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bx4 n GLY 146 N 2.32 2.88 3.70 0.00 0.00 -0.45 -0.74 105.19 112.89 2bx4 n GLY 146 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2bx4 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bx4 n SER 147 N 0.00 2.81 -4.72 1.61 7.64 -0.25 -4.54 113.62 116.17 2bx4 n SER 147 Ca 0.00 1.21 -0.26 0.00 1.01 0.00 0.00 58.87 60.83 2bx4 n SER 147 Cb 0.00 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 2bx4 n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2bx4 s VAL 148 N -1.06 3.99 -0.10 0.44 -7.23 -1.24 -1.38 120.40 113.82 2bx4 s VAL 148 Ca 0.56 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2bx4 s VAL 148 Cb -0.57 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 2bx4 s VAL 148 CO 0.62 -0.16 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.30 2bx4 s GLY 149 N -3.16 1.57 0.17 2.32 0.00 0.19 -1.97 107.32 106.45 2bx4 s GLY 149 Ca 0.29 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 44.01 2bx4 s GLY 149 CO 0.21 -0.45 0.30 -0.11 0.00 0.00 0.00 173.10 173.05 2bx4 s PHE 150 N -0.18 0.42 0.14 1.90 -0.12 0.60 -0.87 117.98 119.86 2bx4 s PHE 150 Ca 0.00 -0.77 0.05 0.00 -0.05 0.00 0.00 56.93 56.16 2bx4 s PHE 150 Cb -0.13 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2bx4 s PHE 150 CO 0.03 -0.74 -0.11 -0.80 -0.05 0.00 0.00 175.22 173.55 2bx4 s ASN 151 N -2.98 1.85 -0.06 1.98 0.01 -0.18 -1.01 114.94 114.55 2bx4 s ASN 151 Ca 0.18 -0.96 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 2bx4 s ASN 151 Cb 0.03 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.69 2bx4 s ASN 151 CO 0.01 -0.28 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.64 2bx4 s ILE 152 N -3.03 0.66 -0.38 0.60 1.01 -1.26 -0.07 121.20 118.72 2bx4 s ILE 152 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2bx4 s ILE 152 Cb 0.01 -0.69 0.11 0.00 0.01 0.00 0.00 42.46 41.90 2bx4 s ILE 152 CO 0.01 0.27 0.11 -0.62 0.00 0.00 0.00 174.94 174.71 2bx4 s ASP 153 N 1.15 4.76 0.00 3.58 2.15 -0.16 -4.99 116.67 123.16 2bx4 s ASP 153 Ca -0.07 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 50.60 2bx4 s ASP 153 Cb -0.14 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 2bx4 s ASP 153 CO -0.01 -0.37 0.00 -1.22 -0.17 0.00 0.00 175.17 173.40 2bx4 n TYR 154 N 4.07 0.00 -0.03 -5.34 4.02 -1.26 -1.70 117.16 116.93 2bx4 n TYR 154 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.95 2bx4 n TYR 154 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.61 2bx4 n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2bx4 n ASP 155 N 2.86 1.79 -4.68 7.72 5.68 -1.26 -5.00 116.55 123.66 2bx4 n ASP 155 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2bx4 n ASP 155 Cb 0.00 1.37 -0.05 0.00 -1.14 0.00 0.00 41.12 41.31 2bx4 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bx4 s VAL 157 N 1.69 5.23 -0.76 0.00 1.01 -0.01 -0.99 120.40 126.57 2bx4 s VAL 157 Ca 0.37 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 2bx4 s VAL 157 Cb -0.17 -3.63 0.17 0.00 0.00 0.00 0.00 36.38 32.75 2bx4 s VAL 157 CO 0.14 0.20 0.79 -0.44 0.00 0.00 0.00 175.10 175.79 2bx4 s SER 158 N 1.64 6.54 0.11 3.32 0.01 0.89 -1.27 113.70 124.94 2bx4 s SER 158 Ca 0.12 -2.18 -0.30 0.00 1.31 0.00 0.00 55.95 54.90 2bx4 s SER 158 Cb -0.16 -2.27 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 2bx4 s SER 158 CO 0.10 -0.82 1.14 -0.36 0.41 0.00 0.00 173.24 173.71 2bx4 s PHE 159 N 1.39 3.52 0.00 2.43 0.40 -0.28 -1.01 117.98 124.42 2bx4 s PHE 159 Ca 0.17 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 2bx4 s PHE 159 Cb -0.15 -3.34 0.00 0.00 0.51 0.00 0.00 43.02 40.04 2bx4 s PHE 159 CO -0.04 -0.90 0.00 0.00 0.70 0.00 0.00 175.22 174.97 2bx4 s TYR 161 N -0.09 -0.09 -0.02 0.00 5.04 -0.82 -4.27 117.35 117.11 2bx4 s TYR 161 Ca 0.00 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.86 2bx4 s TYR 161 Cb 0.00 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.33 2bx4 s TYR 161 CO 0.00 -0.13 -0.08 1.41 -1.34 0.00 0.00 175.55 175.41 2bx4 s MET 162 N -0.35 0.79 0.14 4.97 -2.45 -0.46 0.57 119.30 122.51 2bx4 s MET 162 Ca -0.04 -0.25 -0.27 0.00 -1.25 0.00 0.00 55.69 53.87 2bx4 s MET 162 Cb -0.03 -0.76 -0.07 0.00 1.25 0.00 0.00 34.83 35.22 2bx4 s MET 162 CO 0.00 0.09 0.85 -1.58 1.05 0.00 0.00 175.02 175.44 2bx4 s HIS 163 N 0.19 3.86 0.00 4.11 2.46 -0.48 -1.51 115.29 123.92 2bx4 s HIS 163 Ca -0.02 1.70 0.00 0.00 0.47 0.00 0.00 55.06 57.20 2bx4 s HIS 163 Cb -0.07 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.48 2bx4 s HIS 163 CO 0.00 0.37 0.00 0.72 -2.47 0.00 0.00 174.74 173.36 2bx4 n HIS 164 N 2.16 0.00 -4.36 3.88 8.25 -1.05 -1.34 115.22 122.76 2bx4 n HIS 164 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 2bx4 n HIS 164 Cb 0.49 0.11 -0.15 0.00 1.12 0.00 0.00 29.99 31.56 2bx4 n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2bx4 s MET 165 N -1.99 0.77 -0.46 -0.41 -1.94 -0.44 -4.90 119.30 109.93 2bx4 s MET 165 Ca 0.00 -0.30 -0.10 0.00 -1.71 0.00 0.00 55.69 53.57 2bx4 s MET 165 Cb 0.00 -0.74 0.11 0.00 2.01 0.00 0.00 34.83 36.21 2bx4 s MET 165 CO 0.00 0.16 0.34 -1.21 -0.01 0.00 0.00 175.02 174.31 2bx4 s GLU 166 N -0.08 2.60 0.62 2.03 8.01 -1.26 -0.69 118.70 129.94 2bx4 s GLU 166 Ca 0.01 -1.65 -0.19 0.00 0.01 0.00 0.00 54.97 53.16 2bx4 s GLU 166 Cb -0.05 -3.94 -0.02 0.00 -4.31 0.00 0.00 34.13 25.80 2bx4 s GLU 166 CO -0.00 -1.13 1.26 -0.51 0.01 0.00 0.00 175.26 174.88 2bx4 s LEU 167 N 1.43 3.63 0.00 1.80 1.43 -0.07 -4.89 118.68 122.01 2bx4 s LEU 167 Ca 0.05 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2bx4 s LEU 167 Cb -0.26 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.38 2bx4 s LEU 167 CO 0.01 -1.79 0.57 -2.65 0.23 0.00 0.00 176.35 172.72 2bx4 n PRO 168 N -1.70 0.00 -0.39 1.29 -0.02 -1.26 -0.82 135.00 132.10 2bx4 n PRO 168 Ca 0.15 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 2bx4 n PRO 168 Cb 0.49 -1.59 0.24 0.00 -0.02 0.00 0.00 33.50 32.62 2bx4 n PRO 168 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2bx4 n THR 169 N -1.07 2.23 -0.65 3.45 -2.24 -1.26 -4.98 114.28 109.75 2bx4 n THR 169 Ca 0.00 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 2bx4 n THR 169 Cb 0.09 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2bx4 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bx4 n GLY 170 N -0.64 1.11 3.95 3.38 0.00 0.00 -5.01 105.19 107.97 2bx4 n GLY 170 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2bx4 n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bx4 s VAL 171 N -3.03 3.39 -0.04 1.61 -7.23 -1.25 -4.50 120.40 109.35 2bx4 s VAL 171 Ca 0.00 -0.41 0.06 0.00 -1.81 0.00 0.00 61.98 59.82 2bx4 s VAL 171 Cb 0.00 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 2bx4 s VAL 171 CO 0.00 -0.24 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.35 2bx4 s HIS 172 N -2.77 2.52 0.06 2.82 0.09 0.13 -0.89 115.29 117.23 2bx4 s HIS 172 Ca 0.53 -0.32 0.08 0.00 -0.00 0.00 0.00 55.06 55.35 2bx4 s HIS 172 Cb -0.10 -1.57 -0.03 0.00 -0.00 0.00 0.00 32.58 30.87 2bx4 s HIS 172 CO 0.40 0.06 -0.20 0.00 -0.00 0.00 0.00 174.74 175.00 2bx4 s ALA 173 N -0.63 2.54 0.00 -1.40 0.00 0.14 -1.39 121.76 121.02 2bx4 s ALA 173 Ca 0.10 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2bx4 s ALA 173 Cb -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2bx4 s ALA 173 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.74 2bx4 n GLY 174 N 1.46 1.63 3.46 0.00 0.00 -1.26 -1.33 105.19 109.16 2bx4 n GLY 174 Ca -0.16 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2bx4 n GLY 174 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bx4 s THR 175 N -2.71 1.35 0.48 2.61 -1.32 -0.57 -1.20 115.64 114.29 2bx4 s THR 175 Ca 0.00 -2.02 -0.05 0.00 -1.21 0.00 0.00 61.69 58.41 2bx4 s THR 175 Cb 0.00 -2.74 0.10 0.00 -1.51 0.00 0.00 72.50 68.35 2bx4 s THR 175 CO 0.00 -0.06 0.66 -0.90 -2.21 0.00 0.00 174.62 172.10 2bx4 n ASP 176 N -0.69 0.42 -0.31 8.08 5.68 0.20 -1.35 116.55 128.58 2bx4 n ASP 176 Ca -0.03 -1.46 0.12 0.00 -0.50 0.00 0.00 54.79 52.92 2bx4 n ASP 176 Cb 0.66 -0.47 0.55 0.00 -1.14 0.00 0.00 41.12 40.72 2bx4 n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2bx4 n LEU 177 N 0.00 0.94 -0.72 -2.12 7.99 -1.26 -2.48 117.00 119.35 2bx4 n LEU 177 Ca 0.09 -0.36 0.12 0.00 -0.01 0.00 0.00 56.01 55.86 2bx4 n LEU 177 Cb 0.33 -0.04 0.34 0.00 -0.11 0.00 0.00 43.42 43.94 2bx4 n LEU 177 CO 0.23 0.18 0.76 -0.62 -1.51 0.00 0.00 177.39 176.44 2bx4 n GLU 178 N -0.21 1.97 -0.81 3.23 1.02 -1.26 -4.95 120.64 119.62 2bx4 n GLU 178 Ca 0.18 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2bx4 n GLU 178 Cb 0.23 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2bx4 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bx4 n GLY 179 N 1.25 0.59 3.67 0.62 0.00 -1.03 -4.57 105.19 105.72 2bx4 n GLY 179 Ca 0.17 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2bx4 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bx4 s LYS 180 N -0.21 4.09 0.49 1.61 1.02 -1.26 -1.59 119.74 123.89 2bx4 s LYS 180 Ca 0.00 -0.24 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 2bx4 s LYS 180 Cb 0.00 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 2bx4 s LYS 180 CO 0.00 0.08 1.35 -0.06 -0.92 0.00 0.00 175.35 175.80 2bx4 s PHE 181 N 1.00 2.46 -0.45 3.18 0.40 -1.26 -0.63 117.98 122.68 2bx4 s PHE 181 Ca 0.08 1.36 -0.26 0.00 -0.60 0.00 0.00 56.93 57.52 2bx4 s PHE 181 Cb -0.13 -3.77 0.03 0.00 0.51 0.00 0.00 43.02 39.65 2bx4 s PHE 181 CO 0.04 -2.67 0.95 0.71 0.70 0.00 0.00 175.22 174.95 2bx4 s TYR 182 N -1.30 2.94 0.00 0.36 1.51 -0.34 -4.85 117.35 115.67 2bx4 s TYR 182 Ca 0.66 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2bx4 s TYR 182 Cb -0.40 -3.97 0.00 0.00 -0.11 0.00 0.00 41.96 37.49 2bx4 s TYR 182 CO 0.49 -1.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.26 2bx4 n GLY 183 N 4.83 -2.02 0.08 0.71 0.00 -1.26 -4.61 105.19 102.93 2bx4 n GLY 183 Ca 0.07 -2.11 0.15 0.00 0.00 0.00 0.00 46.02 44.14 2bx4 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bx4 n PRO 184 N -0.04 1.05 -2.29 1.61 -0.04 -1.26 -4.93 135.00 129.11 2bx4 n PRO 184 Ca 0.00 -0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 2bx4 n PRO 184 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2bx4 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2bx4 s PHE 185 N -2.07 2.89 0.39 0.54 0.40 -1.26 -5.07 117.98 113.79 2bx4 s PHE 185 Ca 0.44 1.55 0.08 0.00 -0.60 0.00 0.00 56.93 58.39 2bx4 s PHE 185 Cb 0.22 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2bx4 s PHE 185 CO 0.38 -1.43 0.23 0.14 0.70 0.00 0.00 175.22 175.23 2bx4 s VAL 186 N -1.59 2.67 -1.18 -0.44 -7.23 -1.26 -4.82 120.40 106.55 2bx4 s VAL 186 Ca 0.64 -1.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.15 2bx4 s VAL 186 Cb -0.27 -3.00 0.23 0.00 0.56 0.00 0.00 36.38 33.90 2bx4 s VAL 186 CO 0.33 -0.06 1.58 -0.90 -0.31 0.00 0.00 175.10 175.74 2bx4 n ASP 187 N -1.30 5.67 -3.66 4.85 5.75 -1.26 -4.91 116.55 121.69 2bx4 n ASP 187 Ca -0.00 -3.20 -0.07 0.00 -0.01 0.00 0.00 54.79 51.50 2bx4 n ASP 187 Cb 0.63 -1.40 -0.08 0.00 -1.03 0.00 0.00 41.12 39.23 2bx4 n ASP 187 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2bx4 s ARG 188 N -0.87 0.47 -1.03 0.11 3.52 -1.26 -4.91 118.95 114.99 2bx4 s ARG 188 Ca 0.36 1.10 -0.24 0.00 -0.13 0.00 0.00 55.73 56.81 2bx4 s ARG 188 Cb 0.04 0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 33.65 2bx4 s ARG 188 CO 0.03 -0.19 1.98 -1.14 -0.81 0.00 0.00 175.30 175.17 2bx4 s GLN 189 N 2.14 2.38 0.01 5.12 0.74 0.07 -4.84 119.66 125.29 2bx4 s GLN 189 Ca -0.06 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.72 2bx4 s GLN 189 Cb -0.10 -5.12 -0.00 0.00 1.10 0.00 0.00 33.01 28.90 2bx4 s GLN 189 CO -0.16 -3.84 0.01 -2.37 -0.55 0.00 0.00 175.29 168.38 2bx4 n THR 190 N 7.98 0.00 -2.01 -0.34 5.66 -1.26 -4.36 114.28 119.96 2bx4 n THR 190 Ca 0.43 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 61.12 2bx4 n THR 190 Cb 0.46 0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 2bx4 n THR 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bx4 s ALA 191 N -1.72 1.58 -0.45 1.79 0.00 -1.26 -4.90 121.76 116.79 2bx4 s ALA 191 Ca 0.01 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2bx4 s ALA 191 Cb -0.00 -4.57 0.12 0.00 0.00 0.00 0.00 23.12 18.67 2bx4 s ALA 191 CO 0.01 -4.95 0.21 -0.65 0.00 0.00 0.00 175.76 170.38 2bx4 s GLN 192 N 7.14 1.94 -0.21 0.00 -1.52 -1.26 -5.09 119.66 120.67 2bx4 s GLN 192 Ca 0.72 -2.15 -0.17 0.00 -1.95 0.00 0.00 55.36 51.81 2bx4 s GLN 192 Cb -0.07 -3.44 -0.03 0.00 -0.22 0.00 0.00 33.01 29.25 2bx4 s GLN 192 CO 0.01 -1.06 0.48 0.00 -0.25 0.00 0.00 175.29 174.47 2bx4 s ALA 193 N 0.53 3.55 0.38 6.09 0.00 -1.26 -4.83 121.76 126.23 2bx4 s ALA 193 Ca 0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 2bx4 s ALA 193 Cb -0.22 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2bx4 s ALA 193 CO -0.04 -0.46 1.04 0.00 0.00 0.00 0.00 175.76 176.30 2bx4 s ALA 194 N 1.67 3.13 0.80 0.00 0.00 -1.26 -5.04 121.76 121.05 2bx4 s ALA 194 Ca 0.22 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 2bx4 s ALA 194 Cb -0.15 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.77 2bx4 s ALA 194 CO 0.09 -0.17 1.09 0.20 0.00 0.00 0.00 175.76 176.97 2bx4 s GLY 195 N -1.51 1.65 -0.20 0.00 0.00 -1.26 -4.93 107.32 101.07 2bx4 s GLY 195 Ca 0.56 0.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 2bx4 s GLY 195 CO 0.28 0.50 1.81 -1.59 0.00 0.00 0.00 173.10 174.11 2bx4 s THR 196 N -2.95 3.43 0.03 0.90 2.01 -1.26 -4.85 115.64 112.96 2bx4 s THR 196 Ca 0.61 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 2bx4 s THR 196 Cb -0.17 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2bx4 s THR 196 CO 0.56 -0.21 1.27 -0.62 -0.69 0.00 0.00 174.62 174.93 2bx4 s ASP 197 N 5.30 6.98 0.35 3.53 2.15 -1.26 -4.79 116.67 128.93 2bx4 s ASP 197 Ca 0.81 2.03 0.07 0.00 0.43 0.00 0.00 52.55 55.89 2bx4 s ASP 197 Cb -0.29 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.76 2bx4 s ASP 197 CO 0.33 -0.58 0.49 0.42 -0.17 0.00 0.00 175.17 175.66 2bx4 s THR 198 N 1.66 3.89 0.06 1.71 -4.23 -1.26 -5.01 115.64 112.46 2bx4 s THR 198 Ca 0.60 -0.99 -0.21 0.00 -1.18 0.00 0.00 61.69 59.91 2bx4 s THR 198 Cb -0.30 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 2bx4 s THR 198 CO 0.27 -0.13 0.62 -0.89 -0.54 0.00 0.00 174.62 173.95 2bx4 s THR 199 N -2.21 4.73 -0.76 3.99 2.01 -0.83 -4.58 115.64 117.99 2bx4 s THR 199 Ca 0.47 1.33 -0.26 0.00 0.31 0.00 0.00 61.69 63.53 2bx4 s THR 199 Cb -0.10 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2bx4 s THR 199 CO 0.31 0.50 1.39 -0.63 -0.69 0.00 0.00 174.62 175.50 2bx4 s ILE 200 N -0.77 3.69 0.12 1.82 1.01 -1.26 -1.55 121.20 124.26 2bx4 s ILE 200 Ca 0.31 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.98 2bx4 s ILE 200 Cb -0.20 -4.80 -0.05 0.00 0.01 0.00 0.00 42.46 37.43 2bx4 s ILE 200 CO 0.20 -1.73 1.71 0.74 0.00 0.00 0.00 174.94 175.85 2bx4 h THR 201 N 6.26 0.82 -0.80 2.92 2.02 -1.93 -2.54 112.91 119.65 2bx4 h THR 201 Ca -0.21 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.13 2bx4 h THR 201 Cb 1.06 0.82 -0.10 0.00 -1.74 0.00 0.00 68.15 68.18 2bx4 h THR 201 CO 1.29 0.00 0.33 0.25 0.37 0.00 0.00 175.52 177.76 2bx4 h LEU 202 N -0.01 0.31 -0.64 2.58 5.85 -1.91 -0.84 115.31 120.65 2bx4 h LEU 202 Ca 0.08 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 2bx4 h LEU 202 Cb 0.13 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2bx4 h LEU 202 CO -0.18 0.09 -0.24 0.78 -0.34 0.00 0.00 178.44 178.55 2bx4 h ASN 203 N 0.45 0.83 -0.57 1.25 -0.26 -1.70 -1.11 115.58 114.48 2bx4 h ASN 203 Ca 0.46 -0.31 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2bx4 h ASN 203 Cb 0.74 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 2bx4 h ASN 203 CO -0.43 1.04 0.20 0.58 -1.06 0.00 0.00 177.43 177.75 2bx4 h VAL 204 N 0.70 1.23 -0.58 2.81 2.07 -0.80 -0.24 116.25 121.45 2bx4 h VAL 204 Ca 0.09 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2bx4 h VAL 204 Cb 0.77 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2bx4 h VAL 204 CO 0.06 0.29 0.14 -0.07 0.02 0.00 0.00 177.57 178.01 2bx4 h LEU 205 N 0.79 0.84 -0.52 2.57 3.38 -1.09 -1.60 115.31 119.67 2bx4 h LEU 205 Ca 0.19 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2bx4 h LEU 205 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2bx4 h LEU 205 CO -0.01 0.82 -0.13 0.00 0.09 0.00 0.00 178.44 179.21 2bx4 h ALA 206 N 1.29 0.72 -0.13 1.53 0.00 -0.80 -1.37 119.26 120.51 2bx4 h ALA 206 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2bx4 h ALA 206 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bx4 h ALA 206 CO -0.00 0.65 -0.37 2.35 0.00 0.00 0.00 179.25 181.87 2bx4 h TRP 207 N 0.88 0.30 -0.04 0.00 7.01 -0.82 -1.08 115.95 122.20 2bx4 h TRP 207 Ca 0.13 -0.08 -0.20 0.00 2.11 0.00 0.00 58.89 60.85 2bx4 h TRP 207 Cb 0.70 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.68 2bx4 h TRP 207 CO 0.05 0.60 -0.83 -0.07 -2.79 0.00 0.00 178.44 175.41 2bx4 h LEU 208 N 0.23 0.49 -1.07 0.65 3.38 -1.20 -1.92 115.31 115.86 2bx4 h LEU 208 Ca 0.02 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2bx4 h LEU 208 Cb 0.76 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2bx4 h LEU 208 CO 0.06 1.12 -0.19 1.88 0.09 0.00 0.00 178.44 181.40 2bx4 h TYR 209 N 0.25 0.47 -0.43 1.13 -1.99 -0.85 -2.69 116.97 112.85 2bx4 h TYR 209 Ca -0.05 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.50 2bx4 h TYR 209 Cb 1.43 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 40.02 2bx4 h TYR 209 CO 0.05 0.60 -0.10 0.00 -0.00 0.00 0.00 178.16 178.71 2bx4 h ALA 210 N 1.41 0.60 -0.53 3.88 0.00 -1.12 -3.06 119.26 120.44 2bx4 h ALA 210 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2bx4 h ALA 210 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2bx4 h ALA 210 CO 0.04 0.48 0.35 0.00 0.00 0.00 0.00 179.25 180.12 2bx4 h ALA 211 N 0.86 1.72 -0.25 0.00 0.00 -1.07 -1.85 119.26 118.68 2bx4 h ALA 211 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2bx4 h ALA 211 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bx4 h ALA 211 CO 0.04 0.22 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 2bx4 h VAL 212 N 0.62 1.28 -0.77 0.00 2.07 -1.42 0.47 116.25 118.50 2bx4 h VAL 212 Ca 0.21 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2bx4 h VAL 212 Cb 0.07 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2bx4 h VAL 212 CO -0.05 0.32 0.42 0.40 0.02 0.00 0.00 177.57 178.68 2bx4 h ILE 213 N 0.23 1.23 0.51 4.57 2.04 -1.34 -3.29 117.51 121.46 2bx4 h ILE 213 Ca 0.07 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2bx4 h ILE 213 Cb 0.50 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2bx4 h ILE 213 CO 0.02 0.26 -0.25 0.78 0.00 0.00 0.00 178.15 178.96 2bx4 h ASN 214 N 1.06 -0.58 0.00 1.72 -0.26 -1.35 -3.49 115.58 112.68 2bx4 h ASN 214 Ca 0.27 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2bx4 h ASN 214 Cb 0.03 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2bx4 h ASN 214 CO -0.04 -0.19 0.00 0.61 -1.06 0.00 0.00 177.43 176.75 2bx4 n GLY 215 N -0.02 0.02 3.70 2.83 0.00 -0.72 -5.12 105.19 105.88 2bx4 n GLY 215 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2bx4 n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bx4 s ASP 216 N 0.00 7.16 0.00 1.61 1.11 0.08 -4.88 116.67 121.75 2bx4 s ASP 216 Ca 0.00 1.85 0.00 0.00 0.18 0.00 0.00 52.55 54.58 2bx4 s ASP 216 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2bx4 s ASP 216 CO 0.00 -0.44 0.00 0.54 1.18 0.00 0.00 175.17 176.45 2bx4 n ARG 217 N 4.28 0.55 0.24 8.23 5.12 -1.26 -3.11 116.66 130.71 2bx4 n ARG 217 Ca 0.09 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.11 2bx4 n ARG 217 Cb 0.48 -0.05 0.70 0.00 -1.16 0.00 0.00 32.46 32.43 2bx4 n ARG 217 CO 0.00 0.00 0.00 0.11 -1.93 0.00 0.00 177.63 175.81 2bx4 h TRP 218 N 0.00 0.00 0.00 -1.55 5.08 -1.99 -2.10 115.95 115.39 2bx4 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2bx4 h TRP 218 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2bx4 h TRP 218 CO 0.00 0.00 0.00 1.97 -1.28 0.00 0.00 178.44 179.13 2bx4 n PHE 219 N -4.37 0.00 -2.93 0.12 1.16 -1.26 -4.78 117.46 105.40 2bx4 n PHE 219 Ca -0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.16 2bx4 n PHE 219 Cb 0.14 -0.32 -0.05 0.00 -1.61 0.00 0.00 39.48 37.64 2bx4 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2bx4 s LEU 220 N -2.63 4.48 0.39 5.98 1.43 -0.79 -4.72 118.68 122.81 2bx4 s LEU 220 Ca 0.22 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2bx4 s LEU 220 Cb 0.16 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2bx4 s LEU 220 CO 0.38 0.02 0.12 0.54 0.23 0.00 0.00 176.35 177.64 2bx4 s ASN 221 N -0.18 2.67 -0.03 2.29 2.20 -1.26 -5.05 114.94 115.58 2bx4 s ASN 221 Ca 0.40 -1.62 0.13 0.00 -0.94 0.00 0.00 52.86 50.82 2bx4 s ASN 221 Cb -0.21 0.41 0.41 0.00 -2.00 0.00 0.00 41.25 39.86 2bx4 s ASN 221 CO 0.25 -0.88 1.31 0.54 -2.94 0.00 0.00 177.10 175.38 2bx4 n ARG 222 N -0.86 2.28 -2.69 3.55 5.12 -1.26 -4.91 116.66 117.88 2bx4 n ARG 222 Ca -0.05 -1.66 -0.33 0.00 -1.93 0.00 0.00 57.85 53.88 2bx4 n ARG 222 Cb 0.65 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 30.43 2bx4 n ARG 222 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2bx4 s PHE 223 N -1.53 3.36 0.22 -1.55 0.40 -1.26 -5.09 117.98 112.53 2bx4 s PHE 223 Ca 0.30 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 58.25 2bx4 s PHE 223 Cb 0.17 -2.82 -0.05 0.00 0.51 0.00 0.00 43.02 40.84 2bx4 s PHE 223 CO 0.18 -0.19 -0.11 -0.08 0.70 0.00 0.00 175.22 175.72 2bx4 s THR 224 N -2.32 1.61 -0.27 0.64 -1.32 -1.26 -4.74 115.64 107.98 2bx4 s THR 224 Ca 0.61 -2.17 -0.16 0.00 -1.21 0.00 0.00 61.69 58.76 2bx4 s THR 224 Cb -0.09 -2.13 0.08 0.00 -1.51 0.00 0.00 72.50 68.85 2bx4 s THR 224 CO 0.19 -0.53 0.66 -0.89 -2.21 0.00 0.00 174.62 171.84 2bx4 s THR 225 N -3.05 -0.00 0.88 5.08 2.01 -1.24 -4.94 115.64 114.38 2bx4 s THR 225 Ca 0.24 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 2bx4 s THR 225 Cb 0.01 -0.96 0.14 0.00 0.01 0.00 0.00 72.50 71.70 2bx4 s THR 225 CO 0.07 0.00 1.24 0.42 -0.69 0.00 0.00 174.62 175.66 2bx4 s THR 226 N 1.58 2.02 0.47 -0.82 -4.23 -1.26 -4.67 115.64 108.72 2bx4 s THR 226 Ca -0.10 -0.04 0.32 0.00 -1.18 0.00 0.00 61.69 60.69 2bx4 s THR 226 Cb -0.05 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.15 2bx4 s THR 226 CO -0.19 0.00 2.16 0.25 -0.54 0.00 0.00 174.62 176.30 2bx4 h LEU 227 N -1.32 0.00 0.11 4.79 5.85 -1.96 -2.94 115.31 119.84 2bx4 h LEU 227 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2bx4 h LEU 227 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2bx4 h LEU 227 CO 0.50 0.06 -0.05 0.78 -0.34 0.00 0.00 178.44 179.39 2bx4 h ASN 228 N 0.00 -0.13 0.42 1.25 -0.26 -1.95 -3.03 115.58 111.88 2bx4 h ASN 228 Ca -0.00 -0.43 -0.12 0.00 -0.56 0.00 0.00 56.30 55.19 2bx4 h ASN 228 Cb 0.22 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2bx4 h ASN 228 CO 0.01 0.43 -0.51 0.44 -1.06 0.00 0.00 177.43 176.73 2bx4 h ASP 229 N -0.74 0.11 -0.13 5.81 3.32 -1.94 -3.04 116.42 119.82 2bx4 h ASP 229 Ca -0.02 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 2bx4 h ASP 229 Cb 0.55 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2bx4 h ASP 229 CO 0.02 0.60 -0.41 0.15 -1.72 0.00 0.00 179.24 177.89 2bx4 h PHE 230 N 0.08 0.66 0.00 4.55 3.57 -1.64 -3.09 116.94 121.07 2bx4 h PHE 230 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2bx4 h PHE 230 Cb 0.93 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2bx4 h PHE 230 CO 0.01 1.02 0.00 -0.91 -2.23 0.00 0.00 178.31 176.20 2bx4 h ASN 231 N 0.11 0.00 0.08 0.41 2.35 -1.50 0.20 115.58 117.23 2bx4 h ASN 231 Ca -0.02 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.48 2bx4 h ASN 231 Cb 1.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.42 2bx4 h ASN 231 CO 0.09 0.00 -0.99 0.25 -1.65 0.00 0.00 177.43 175.13 2bx4 h LEU 232 N 0.00 0.81 0.04 1.61 5.85 -1.51 -2.48 115.31 119.64 2bx4 h LEU 232 Ca 0.00 -0.64 -0.26 0.00 0.84 0.00 0.00 57.88 57.82 2bx4 h LEU 232 Cb 0.34 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.13 2bx4 h LEU 232 CO 0.00 1.44 -1.17 0.58 -0.34 0.00 0.00 178.44 178.95 2bx4 h VAL 233 N 0.37 1.45 -0.71 1.05 2.07 -1.23 -3.22 116.25 116.03 2bx4 h VAL 233 Ca -0.11 -2.84 -0.04 0.00 0.82 0.00 0.00 66.70 64.54 2bx4 h VAL 233 Cb 1.63 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 34.16 2bx4 h VAL 233 CO 0.19 0.84 0.31 0.00 0.02 0.00 0.00 177.57 178.92 2bx4 h ALA 234 N 0.60 0.92 -0.65 1.67 0.00 -0.71 -2.16 119.26 118.93 2bx4 h ALA 234 Ca -0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2bx4 h ALA 234 Cb 1.86 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2bx4 h ALA 234 CO 0.20 0.52 0.43 1.98 0.00 0.00 0.00 179.25 182.38 2bx4 h MET 235 N 1.01 0.79 -0.30 0.00 -1.53 -1.53 0.96 114.93 114.34 2bx4 h MET 235 Ca 0.24 -0.05 -0.14 0.00 -3.44 0.00 0.00 59.70 56.31 2bx4 h MET 235 Cb 0.18 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.04 2bx4 h MET 235 CO -0.02 0.52 -0.35 -0.22 0.14 0.00 0.00 176.91 176.98 2bx4 h LYS 236 N 0.82 0.77 -0.76 0.39 1.63 -1.41 -3.28 116.57 114.73 2bx4 h LYS 236 Ca 0.25 -0.43 -0.13 0.00 -0.85 0.00 0.00 60.65 59.49 2bx4 h LYS 236 Cb 0.01 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.58 2bx4 h LYS 236 CO -0.06 1.05 0.17 0.66 -3.45 0.00 0.00 179.45 177.82 2bx4 n TYR 237 N -4.18 2.01 -3.71 1.91 4.02 -0.89 -4.92 117.16 111.38 2bx4 n TYR 237 Ca -0.04 -0.92 -0.24 0.00 -0.01 0.00 0.00 57.90 56.69 2bx4 n TYR 237 Cb 0.51 -0.57 0.04 0.00 -0.02 0.00 0.00 39.34 39.31 2bx4 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2bx4 n ASN 238 N 0.09 -2.98 -4.90 7.72 5.15 -1.11 -4.90 115.26 114.33 2bx4 n ASN 238 Ca 0.32 -0.75 -0.21 0.00 -0.60 0.00 0.00 54.58 53.34 2bx4 n ASN 238 Cb 1.18 -4.27 -0.03 0.00 -0.53 0.00 0.00 39.78 36.13 2bx4 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2bx4 s TYR 239 N -3.48 3.13 0.26 1.20 1.51 0.32 -1.96 117.35 118.32 2bx4 s TYR 239 Ca 0.27 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.86 2bx4 s TYR 239 Cb -0.13 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 39.95 2bx4 s TYR 239 CO 0.80 0.30 1.15 -1.21 -1.11 0.00 0.00 175.55 175.47 2bx4 s GLU 240 N -3.99 4.57 0.59 -0.62 0.41 -0.60 -4.39 118.70 114.68 2bx4 s GLU 240 Ca 0.38 1.87 -0.18 0.00 -0.41 0.00 0.00 54.97 56.63 2bx4 s GLU 240 Cb -0.08 -3.19 -0.03 0.00 -1.78 0.00 0.00 34.13 29.05 2bx4 s GLU 240 CO 0.28 0.09 1.17 -1.25 -0.49 0.00 0.00 175.26 175.06 2bx4 s PRO 241 N -1.19 3.03 -0.24 0.39 0.04 -1.26 -4.60 135.00 131.17 2bx4 s PRO 241 Ca 0.47 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 2bx4 s PRO 241 Cb -0.33 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2bx4 s PRO 241 CO 0.41 -1.13 0.15 -1.17 0.04 0.00 0.00 177.00 175.31 2bx4 s LEU 242 N -4.15 4.09 0.57 -3.56 2.96 -1.26 -4.98 118.68 112.34 2bx4 s LEU 242 Ca 0.74 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 2bx4 s LEU 242 Cb -0.27 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.37 2bx4 s LEU 242 CO 0.33 0.07 0.79 0.42 -1.32 0.00 0.00 176.35 176.64 2bx4 s THR 243 N 1.04 2.62 0.32 3.68 -4.23 -1.26 -4.98 115.64 112.83 2bx4 s THR 243 Ca 0.07 -0.65 0.20 0.00 -1.18 0.00 0.00 61.69 60.14 2bx4 s THR 243 Cb -0.13 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.92 2bx4 s THR 243 CO 0.04 0.00 1.89 -0.61 -0.54 0.00 0.00 174.62 175.41 2bx4 h GLN 244 N 0.02 0.00 -0.65 3.99 5.75 -2.00 -2.80 115.11 119.41 2bx4 h GLN 244 Ca -0.42 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.00 2bx4 h GLN 244 Cb 1.30 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.82 2bx4 h GLN 244 CO 0.52 0.27 0.07 -0.44 -2.65 0.00 0.00 178.83 176.59 2bx4 h ASP 245 N 0.00 1.06 -0.04 -0.69 3.32 -2.00 -2.59 116.42 115.48 2bx4 h ASP 245 Ca -0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 2bx4 h ASP 245 Cb 0.60 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2bx4 h ASP 245 CO 0.03 1.07 -0.12 0.45 -1.72 0.00 0.00 179.24 178.95 2bx4 h HIS 246 N 1.02 0.35 -0.37 4.55 3.86 -1.89 -1.68 115.15 120.99 2bx4 h HIS 246 Ca 0.19 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2bx4 h HIS 246 Cb 0.48 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 2bx4 h HIS 246 CO 0.03 0.46 0.11 0.28 0.86 0.00 0.00 177.93 179.67 2bx4 h VAL 247 N 0.31 1.21 -0.45 2.45 2.07 -1.46 -2.56 116.25 117.83 2bx4 h VAL 247 Ca 0.06 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 2bx4 h VAL 247 Cb 0.42 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2bx4 h VAL 247 CO 0.02 0.24 0.01 0.44 0.02 0.00 0.00 177.57 178.31 2bx4 h ASP 248 N 0.45 0.69 -0.58 0.57 3.32 -1.07 -2.88 116.42 116.92 2bx4 h ASP 248 Ca 0.12 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2bx4 h ASP 248 Cb 0.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2bx4 h ASP 248 CO -0.00 0.76 -0.00 0.40 -1.72 0.00 0.00 179.24 178.67 2bx4 h ILE 249 N 0.69 1.26 0.00 0.35 2.04 -1.23 -3.06 117.51 117.56 2bx4 h ILE 249 Ca 0.14 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2bx4 h ILE 249 Cb 0.41 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2bx4 h ILE 249 CO 0.02 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.76 2bx4 n LEU 250 N -4.18 0.00 -0.28 1.44 4.77 -0.97 -4.29 117.00 113.49 2bx4 n LEU 250 Ca 0.03 0.49 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 2bx4 n LEU 250 Cb 0.35 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 2bx4 n LEU 250 CO 0.44 -0.08 0.49 1.23 -1.33 0.00 0.00 177.39 178.14 2bx4 h GLY 251 N 4.22 -0.98 0.96 -0.72 0.00 -1.40 -0.98 103.07 104.16 2bx4 h GLY 251 Ca 0.00 0.77 0.14 0.00 0.00 0.00 0.00 47.33 48.25 2bx4 h GLY 251 CO 0.00 -0.06 0.38 -2.55 0.00 0.00 0.00 176.54 174.31 2bx4 h PRO 252 N -0.18 0.08 0.00 4.80 0.11 -1.82 -1.87 132.00 133.11 2bx4 h PRO 252 Ca 0.11 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2bx4 h PRO 252 Cb 0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2bx4 h PRO 252 CO -0.75 0.05 -0.60 -0.07 -0.21 0.00 0.00 178.00 176.42 2bx4 h LEU 253 N 0.08 0.00 -0.18 2.35 3.38 -1.67 -3.01 115.31 116.25 2bx4 h LEU 253 Ca 0.26 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 2bx4 h LEU 253 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2bx4 h LEU 253 CO -0.02 0.30 -0.67 -1.28 0.09 0.00 0.00 178.44 176.86 2bx4 h SER 254 N 0.00 0.91 -0.03 -0.43 0.87 -0.48 -3.16 113.55 111.22 2bx4 h SER 254 Ca -0.03 -0.60 -0.11 0.00 -1.23 0.00 0.00 61.79 59.82 2bx4 h SER 254 Cb 1.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2bx4 h SER 254 CO 0.03 1.36 -0.32 0.00 -0.53 0.00 0.00 176.83 177.37 2bx4 h ALA 255 N 0.57 1.01 -0.21 6.23 0.00 -1.42 -0.37 119.26 125.08 2bx4 h ALA 255 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2bx4 h ALA 255 Cb 1.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2bx4 h ALA 255 CO 0.14 0.59 -0.51 0.37 0.00 0.00 0.00 179.25 179.85 2bx4 h GLN 256 N 0.42 0.57 0.00 0.00 4.15 -1.58 -3.30 115.11 115.37 2bx4 h GLN 256 Ca 0.05 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2bx4 h GLN 256 Cb 0.77 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2bx4 h GLN 256 CO 0.06 0.95 -1.36 0.25 -1.93 0.00 0.00 178.83 176.80 2bx4 n THR 257 N -3.98 0.00 -1.33 2.39 -2.24 -1.20 -4.99 114.28 102.94 2bx4 n THR 257 Ca -0.03 -0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2bx4 n THR 257 Cb 0.58 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 2bx4 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bx4 n GLY 258 N 1.41 0.74 3.18 3.38 0.00 -0.18 -5.03 105.19 108.70 2bx4 n GLY 258 Ca 0.01 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2bx4 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bx4 s ILE 259 N -2.24 2.81 0.44 -0.61 -1.09 -1.04 -5.04 121.20 114.43 2bx4 s ILE 259 Ca 0.00 -1.11 -0.26 0.00 -2.23 0.00 0.00 60.65 57.06 2bx4 s ILE 259 Cb 0.00 -2.46 -0.09 0.00 -1.58 0.00 0.00 42.46 38.34 2bx4 s ILE 259 CO 0.00 0.16 1.44 0.00 -1.23 0.00 0.00 174.94 175.31 2bx4 s ALA 260 N 1.30 3.30 0.40 9.38 0.00 -1.26 -4.51 121.76 130.37 2bx4 s ALA 260 Ca -0.01 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.51 2bx4 s ALA 260 Cb -0.17 -3.60 0.83 0.00 0.00 0.00 0.00 23.12 20.19 2bx4 s ALA 260 CO -0.04 -1.18 2.04 -0.39 0.00 0.00 0.00 175.76 176.19 2bx4 h VAL 261 N 2.42 1.09 0.00 0.00 -1.51 -1.94 -0.65 116.25 115.67 2bx4 h VAL 261 Ca -0.51 -0.21 -0.11 0.00 -1.23 0.00 0.00 66.70 64.65 2bx4 h VAL 261 Cb 1.26 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 2bx4 h VAL 261 CO 0.62 0.11 -0.52 -0.07 -1.23 0.00 0.00 177.57 176.48 2bx4 h LEU 262 N 0.60 0.00 -0.28 4.19 4.07 -1.91 -0.08 115.31 121.90 2bx4 h LEU 262 Ca 0.18 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.94 2bx4 h LEU 262 Cb -0.01 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 2bx4 h LEU 262 CO -0.04 0.52 -0.85 0.44 -1.08 0.00 0.00 178.44 177.42 2bx4 h ASP 263 N 0.00 0.45 -0.34 -0.43 3.32 -1.45 -1.91 116.42 116.06 2bx4 h ASP 263 Ca -0.01 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.60 2bx4 h ASP 263 Cb 0.99 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2bx4 h ASP 263 CO 0.07 1.11 -0.16 -0.03 -1.72 0.00 0.00 179.24 178.50 2bx4 h MET 264 N 0.22 0.80 -0.37 3.56 4.05 -0.91 -1.01 114.93 121.27 2bx4 h MET 264 Ca -0.05 -0.30 -0.06 0.00 -0.28 0.00 0.00 59.70 59.01 2bx4 h MET 264 Cb 1.46 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.19 2bx4 h MET 264 CO 0.14 0.91 -0.02 0.00 0.23 0.00 0.00 176.91 178.18 2bx4 h ALA 266 N 1.42 0.95 -0.50 0.00 0.00 -1.00 -0.16 119.26 119.97 2bx4 h ALA 266 Ca 0.12 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2bx4 h ALA 266 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bx4 h ALA 266 CO 0.02 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.76 2bx4 h ALA 267 N 1.26 0.73 -0.13 0.00 0.00 -0.79 -2.85 119.26 117.48 2bx4 h ALA 267 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2bx4 h ALA 267 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2bx4 h ALA 267 CO 0.08 0.67 -0.10 1.25 0.00 0.00 0.00 179.25 181.16 2bx4 h LEU 268 N 0.87 0.31 -0.94 0.00 6.46 -1.12 -2.73 115.31 118.16 2bx4 h LEU 268 Ca 0.12 -0.45 0.23 0.00 -0.12 0.00 0.00 57.88 57.66 2bx4 h LEU 268 Cb 0.75 -0.09 -0.12 0.00 -0.73 0.00 0.00 40.66 40.47 2bx4 h LEU 268 CO 0.06 0.69 0.48 0.50 -0.62 0.00 0.00 178.44 179.56 2bx4 h LYS 269 N -0.07 0.46 -0.24 1.25 3.64 -1.04 -0.48 116.57 120.09 2bx4 h LYS 269 Ca 0.03 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2bx4 h LYS 269 Cb 0.59 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2bx4 h LYS 269 CO 0.03 0.31 -0.49 1.49 -2.27 0.00 0.00 179.45 178.51 2bx4 h GLU 270 N 0.48 0.76 0.00 1.90 4.57 -1.49 -3.11 114.58 117.68 2bx4 h GLU 270 Ca 0.60 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2bx4 h GLU 270 Cb 1.14 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2bx4 h GLU 270 CO -0.50 1.12 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.30 2bx4 h LEU 271 N 0.50 0.00 0.15 1.64 3.38 -0.79 0.77 115.31 120.97 2bx4 h LEU 271 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2bx4 h LEU 271 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2bx4 h LEU 271 CO 0.11 0.08 -1.43 -0.07 0.09 0.00 0.00 178.44 177.21 2bx4 h LEU 272 N 0.00 0.51 0.08 1.67 3.38 -1.39 -3.11 115.31 116.44 2bx4 h LEU 272 Ca -0.00 -0.61 -0.33 0.00 0.09 0.00 0.00 57.88 57.03 2bx4 h LEU 272 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2bx4 h LEU 272 CO 0.01 1.49 -1.82 1.56 0.09 0.00 0.00 178.44 179.77 2bx4 h GLN 273 N 0.09 0.17 -0.21 1.13 4.20 -1.43 -3.38 115.11 115.68 2bx4 h GLN 273 Ca -0.21 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2bx4 h GLN 273 Cb 2.04 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.92 2bx4 h GLN 273 CO 0.20 0.94 0.00 0.09 -0.67 0.00 0.00 178.83 179.39 2bx4 n ASN 274 N -3.32 3.14 0.00 1.46 4.13 0.24 -5.08 115.26 115.82 2bx4 n ASN 274 Ca -0.24 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.07 2bx4 n ASN 274 Cb 1.05 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 39.16 2bx4 n ASN 274 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bx4 n GLY 275 N 1.33 0.57 0.00 7.41 0.00 -1.18 -4.64 105.19 108.69 2bx4 n GLY 275 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2bx4 n GLY 275 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2bx4 n MET 276 N 5.24 4.19 -3.89 1.61 1.56 -1.26 -4.54 117.12 120.02 2bx4 n MET 276 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 2bx4 n MET 276 Cb 0.00 -0.36 0.03 0.00 2.15 0.00 0.00 33.22 35.04 2bx4 n MET 276 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2bx4 n ASN 277 N -0.03 -4.86 -0.92 6.12 4.13 -1.26 -2.56 115.26 115.88 2bx4 n ASN 277 Ca 0.00 -0.76 -0.09 0.00 1.68 0.00 0.00 54.58 55.41 2bx4 n ASN 277 Cb 0.00 -3.96 -0.01 0.00 -1.54 0.00 0.00 39.78 34.26 2bx4 n ASN 277 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bx4 n GLY 278 N -1.72 0.32 3.68 7.41 0.00 -1.26 -5.03 105.19 108.60 2bx4 n GLY 278 Ca 0.03 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2bx4 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bx4 s ARG 279 N -3.94 3.12 -0.23 1.61 0.52 -1.06 -5.09 118.95 113.88 2bx4 s ARG 279 Ca 0.00 -0.39 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 2bx4 s ARG 279 Cb 0.00 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2bx4 s ARG 279 CO 0.00 0.65 0.12 0.95 0.02 0.00 0.00 175.30 177.04 2bx4 s THR 280 N -0.74 4.95 -0.32 0.02 -4.23 -1.26 -4.68 115.64 109.38 2bx4 s THR 280 Ca 0.12 0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.47 2bx4 s THR 280 Cb -0.12 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 2bx4 s THR 280 CO 0.02 0.36 0.58 -0.63 -0.54 0.00 0.00 174.62 174.41 2bx4 s ILE 281 N 1.14 4.97 -1.50 2.99 1.01 -0.75 -4.26 121.20 124.80 2bx4 s ILE 281 Ca 0.06 0.65 -0.13 0.00 0.00 0.00 0.00 60.65 61.23 2bx4 s ILE 281 Cb -0.14 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 38.42 2bx4 s ILE 281 CO 0.04 -0.16 1.00 0.18 0.00 0.00 0.00 174.94 176.00 2bx4 n LEU 282 N 5.82 -2.69 -0.39 2.97 4.77 -1.26 -1.99 117.00 124.23 2bx4 n LEU 282 Ca -0.03 -0.75 -0.05 0.00 -0.03 0.00 0.00 56.01 55.15 2bx4 n LEU 282 Cb 0.49 -2.63 -0.02 0.00 -2.33 0.00 0.00 43.42 38.93 2bx4 n LEU 282 CO 0.45 0.49 -0.05 0.61 -1.33 0.00 0.00 177.39 177.57 2bx4 n GLY 283 N -1.73 0.75 3.04 -0.72 0.00 -1.26 -3.65 105.19 101.62 2bx4 n GLY 283 Ca 0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2bx4 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bx4 s SER 284 N -2.61 1.80 0.00 1.61 0.15 -0.84 -5.03 113.70 108.78 2bx4 s SER 284 Ca 0.00 -0.30 0.28 0.00 0.70 0.00 0.00 55.95 56.63 2bx4 s SER 284 Cb 0.00 -0.77 1.14 0.00 -1.71 0.00 0.00 66.02 64.68 2bx4 s SER 284 CO 0.00 0.05 1.84 0.35 1.20 0.00 0.00 173.24 176.68 2bx4 n THR 285 N 3.68 0.00 -4.46 6.45 -2.24 -1.26 -1.81 114.28 114.64 2bx4 n THR 285 Ca -0.22 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 2bx4 n THR 285 Cb 0.52 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 2bx4 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2bx4 s ILE 286 N -2.84 2.53 -0.57 2.28 -4.36 -1.26 -4.97 121.20 111.99 2bx4 s ILE 286 Ca 0.18 -2.27 -0.26 0.00 -0.26 0.00 0.00 60.65 58.04 2bx4 s ILE 286 Cb 0.19 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.44 2bx4 s ILE 286 CO 0.54 -0.33 1.08 -0.76 0.24 0.00 0.00 174.94 175.72 2bx4 s LEU 287 N -3.57 3.75 -0.04 0.37 1.43 -1.26 -4.93 118.68 114.42 2bx4 s LEU 287 Ca 0.31 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2bx4 s LEU 287 Cb -0.03 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2bx4 s LEU 287 CO 0.16 -1.38 1.22 -0.70 0.23 0.00 0.00 176.35 175.88 2bx4 s GLU 288 N 4.52 4.35 -0.18 1.70 2.56 -1.26 -4.95 118.70 125.45 2bx4 s GLU 288 Ca 0.37 1.71 0.15 0.00 0.00 0.00 0.00 54.97 57.19 2bx4 s GLU 288 Cb -0.10 -3.54 0.38 0.00 2.00 0.00 0.00 34.13 32.87 2bx4 s GLU 288 CO 0.22 -0.44 1.24 -0.40 -0.56 0.00 0.00 175.26 175.32 2bx4 n ASP 289 N 5.09 2.34 -0.83 -1.70 5.75 -1.26 -4.09 116.55 121.85 2bx4 n ASP 289 Ca 0.11 -3.41 0.01 0.00 -0.01 0.00 0.00 54.79 51.50 2bx4 n ASP 289 Cb 0.46 -0.50 0.19 0.00 -1.03 0.00 0.00 41.12 40.25 2bx4 n ASP 289 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bx4 n GLU 290 N -1.20 1.79 -4.04 0.11 1.02 -1.26 -4.63 120.64 112.42 2bx4 n GLU 290 Ca 0.19 -3.35 -0.31 0.00 -0.02 0.00 0.00 57.16 53.67 2bx4 n GLU 290 Cb 0.73 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 30.27 2bx4 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bx4 s PHE 291 N -3.27 2.53 0.62 -0.32 0.40 -1.26 -4.80 117.98 111.86 2bx4 s PHE 291 Ca 0.40 -1.57 -0.13 0.00 -0.60 0.00 0.00 56.93 55.03 2bx4 s PHE 291 Cb 0.38 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 2bx4 s PHE 291 CO -0.05 -0.75 1.04 0.95 0.70 0.00 0.00 175.22 177.10 2bx4 s THR 292 N 1.36 4.25 0.60 0.64 -4.23 -1.26 -4.39 115.64 112.62 2bx4 s THR 292 Ca 0.02 0.88 0.30 0.00 -1.18 0.00 0.00 61.69 61.70 2bx4 s THR 292 Cb -0.15 -3.58 0.36 0.00 1.34 0.00 0.00 72.50 70.48 2bx4 s THR 292 CO -0.10 -0.82 2.14 -0.65 -0.54 0.00 0.00 174.62 174.66 2bx4 h PRO 293 N -0.02 0.00 0.00 3.99 0.11 -1.91 -0.89 132.00 133.28 2bx4 h PRO 293 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2bx4 h PRO 293 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2bx4 h PRO 293 CO 0.59 0.00 -0.70 0.74 -0.21 0.00 0.00 178.00 178.42 2bx4 h PHE 294 N 0.00 0.00 -0.00 0.65 -1.00 -1.94 -2.63 116.94 112.02 2bx4 h PHE 294 Ca 0.06 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.69 2bx4 h PHE 294 Cb 0.36 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 2bx4 h PHE 294 CO 0.00 0.70 -0.72 -0.44 -1.61 0.00 0.00 178.31 176.24 2bx4 h ASP 295 N 0.00 0.03 -0.07 2.17 3.32 -1.55 -2.56 116.42 117.76 2bx4 h ASP 295 Ca -0.01 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 2bx4 h ASP 295 Cb 1.32 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.87 2bx4 h ASP 295 CO 0.09 0.74 -0.40 0.58 -1.72 0.00 0.00 179.24 178.53 2bx4 h VAL 296 N 0.02 1.41 -0.52 -1.35 2.07 -1.36 -3.20 116.25 113.31 2bx4 h VAL 296 Ca -0.01 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2bx4 h VAL 296 Cb 1.27 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 2bx4 h VAL 296 CO 0.10 0.52 0.16 0.58 0.02 0.00 0.00 177.57 178.94 2bx4 h VAL 297 N -0.08 1.23 0.00 2.57 2.07 -1.52 -2.40 116.25 118.13 2bx4 h VAL 297 Ca -0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2bx4 h VAL 297 Cb 1.05 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2bx4 h VAL 297 CO 0.08 0.29 -0.05 0.08 0.02 0.00 0.00 177.57 177.99 2bx4 h ARG 298 N 0.71 0.00 -0.02 1.57 0.11 -1.55 -2.53 114.38 112.67 2bx4 h ARG 298 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2bx4 h ARG 298 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2bx4 h ARG 298 CO -0.00 0.05 -0.37 1.04 0.10 0.00 0.00 179.97 180.78 2bx4 n GLN 299 N -3.33 1.47 0.00 0.08 6.02 -1.12 -5.11 117.38 115.39 2bx4 n GLN 299 Ca -0.01 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.96 2bx4 n GLN 299 Cb 0.21 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2bx4 n GLN 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05