#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br3 n ASP 3 N 0.00 0.00 -0.07 6.41 9.92 -1.26 -2.84 116.55 128.71 2br3 n ASP 3 Ca 0.00 0.47 -0.08 0.00 -0.53 0.00 0.00 54.79 54.65 2br3 n ASP 3 Cb 0.00 -0.48 0.08 0.00 -0.64 0.00 0.00 41.12 40.08 2br3 n ASP 3 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2br3 h TYR 4 N 0.00 0.86 -0.02 1.24 -0.00 -2.07 -3.16 116.97 113.82 2br3 h TYR 4 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 58.73 58.51 2br3 h TYR 4 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 36.64 2br3 h TYR 4 CO 0.00 0.94 -0.02 0.66 -0.00 0.00 0.00 178.16 179.73 2br3 h SER 5 N 0.64 0.05 0.95 0.10 4.64 -2.03 -3.26 113.55 114.65 2br3 h SER 5 Ca 0.08 -0.51 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2br3 h SER 5 Cb 0.79 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2br3 h SER 5 CO 0.06 0.55 -0.02 0.08 -0.87 0.00 0.00 176.83 176.64 2br3 h ARG 6 N -0.45 0.00 -6.62 4.77 0.11 -1.76 -3.43 114.38 107.00 2br3 h ARG 6 Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 2br3 h ARG 6 Cb 0.54 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 2br3 h ARG 6 CO 0.01 0.02 -0.01 -1.14 0.10 0.00 0.00 179.97 178.94 2br3 s GLN 7 N -3.70 3.81 0.00 0.08 0.74 -1.19 -5.11 119.66 114.29 2br3 s GLN 7 Ca 0.01 0.37 0.05 0.00 0.05 0.00 0.00 55.36 55.84 2br3 s GLN 7 Cb 0.09 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.66 2br3 s GLN 7 CO 0.55 0.17 -0.17 1.21 -0.55 0.00 0.00 175.29 176.50 2br3 s ASN 8 N -2.69 1.95 -0.29 6.67 3.84 -1.26 -4.95 114.94 118.21 2br3 s ASN 8 Ca 0.49 -0.34 -0.11 0.00 0.21 0.00 0.00 52.86 53.11 2br3 s ASN 8 Cb -0.11 -0.20 -0.04 0.00 -0.55 0.00 0.00 41.25 40.36 2br3 s ASN 8 CO 0.24 0.17 0.18 -0.36 -2.79 0.00 0.00 177.10 174.54 2br3 s PHE 9 N -0.49 3.20 0.83 0.43 0.40 -1.26 -5.07 117.98 116.01 2br3 s PHE 9 Ca 0.06 -0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.17 2br3 s PHE 9 Cb -0.07 -2.37 0.06 0.00 0.51 0.00 0.00 43.02 41.15 2br3 s PHE 9 CO -0.00 -0.25 0.97 1.28 0.70 0.00 0.00 175.22 177.91 2br3 n LEU 10 N 5.04 3.03 -4.63 -0.37 4.77 -1.26 -4.97 117.00 118.61 2br3 n LEU 10 Ca -0.14 0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 2br3 n LEU 10 Cb 0.51 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 2br3 n LEU 10 CO 0.33 -2.26 0.43 -0.62 -1.33 0.00 0.00 177.39 173.94 2br3 s ASP 11 N -2.04 6.63 0.55 -1.43 2.15 -1.26 -4.95 116.67 116.32 2br3 s ASP 11 Ca 0.69 0.78 0.33 0.00 0.43 0.00 0.00 52.55 54.78 2br3 s ASP 11 Cb -0.28 -2.35 1.41 0.00 -0.30 0.00 0.00 42.92 41.39 2br3 s ASP 11 CO 0.55 -0.39 2.00 -0.07 -0.17 0.00 0.00 175.17 177.10 2br3 h LEU 12 N 8.90 0.00 -2.01 -1.34 4.07 -2.00 -2.41 115.31 120.52 2br3 h LEU 12 Ca -0.27 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.83 2br3 h LEU 12 Cb 1.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 2br3 h LEU 12 CO 0.79 0.03 0.34 0.78 -1.08 0.00 0.00 178.44 179.30 2br3 h ASN 13 N 0.00 0.00 -0.39 -0.43 2.35 -2.00 -1.16 115.58 113.95 2br3 h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2br3 h ASN 13 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2br3 h ASN 13 CO 0.00 0.00 0.25 -0.07 -1.65 0.00 0.00 177.43 175.96 2br3 h LEU 14 N 0.00 0.46 -2.71 1.61 -0.00 -1.85 -2.60 115.31 110.21 2br3 h LEU 14 Ca 0.22 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.88 57.91 2br3 h LEU 14 Cb 0.90 -0.11 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 2br3 h LEU 14 CO -0.00 0.34 0.23 0.49 -0.00 0.00 0.00 178.44 179.49 2br3 n PHE 15 N -4.47 1.24 -2.79 1.13 0.99 -0.44 -4.90 117.46 108.22 2br3 n PHE 15 Ca 0.03 -0.93 -0.42 0.00 -0.00 0.00 0.00 57.45 56.13 2br3 n PHE 15 Cb 0.07 -0.50 -0.03 0.00 -1.00 0.00 0.00 39.48 38.02 2br3 n PHE 15 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2br3 s ARG 16 N -1.48 4.21 -1.19 -1.08 6.06 -0.98 -2.48 118.95 122.01 2br3 s ARG 16 Ca 0.24 1.11 0.00 0.00 -2.50 0.00 0.00 55.73 54.58 2br3 s ARG 16 Cb 0.20 -3.65 0.00 0.00 0.06 0.00 0.00 34.95 31.56 2br3 s ARG 16 CO 0.05 -0.58 0.00 0.41 -2.50 0.00 0.00 175.30 172.68 2br3 n GLY 17 N 3.59 1.21 1.65 8.12 0.00 -1.26 -4.77 105.19 113.73 2br3 n GLY 17 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2br3 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br3 n LEU 18 N -1.28 0.05 0.00 0.99 4.77 -1.20 -5.12 117.00 115.21 2br3 n LEU 18 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2br3 n LEU 18 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2br3 n LEU 18 CO 0.17 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2br3 n GLY 19 N 1.80 0.78 0.13 -0.72 0.00 -1.03 -4.81 105.19 101.34 2br3 n GLY 19 Ca 0.00 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 43.88 2br3 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br3 h GLU 20 N 0.00 0.00 -2.07 1.61 5.08 -1.98 -3.42 114.58 113.80 2br3 h GLU 20 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2br3 h GLU 20 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 2br3 h GLU 20 CO 0.00 0.00 -0.23 0.34 -1.00 0.00 0.00 179.01 178.12 2br3 s ASP 21 N -4.99 -0.83 0.47 1.42 -1.08 -1.26 -5.04 116.67 105.35 2br3 s ASP 21 Ca 0.09 1.27 0.31 0.00 -0.52 0.00 0.00 52.55 53.70 2br3 s ASP 21 Cb 0.10 1.94 1.21 0.00 -1.46 0.00 0.00 42.92 44.72 2br3 s ASP 21 CO 0.63 -0.23 1.90 1.55 0.52 0.00 0.00 175.17 179.53 2br3 h PRO 22 N 8.06 0.00 -6.98 4.34 0.13 -1.89 -3.44 132.00 132.23 2br3 h PRO 22 Ca -0.18 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.47 2br3 h PRO 22 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 2br3 h PRO 22 CO 0.13 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.30 2br3 s ALA 23 N -3.55 3.06 0.14 -0.56 0.00 -1.26 -4.49 121.76 115.10 2br3 s ALA 23 Ca 0.02 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 2br3 s ALA 23 Cb 0.09 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2br3 s ALA 23 CO 0.51 -0.20 1.06 -0.47 0.00 0.00 0.00 175.76 176.67 2br3 s TYR 24 N -1.73 3.66 -0.03 0.00 5.04 -1.26 -4.86 117.35 118.16 2br3 s TYR 24 Ca 0.59 1.64 0.02 0.00 -2.44 0.00 0.00 57.07 56.88 2br3 s TYR 24 Cb -0.20 -3.21 0.01 0.00 0.35 0.00 0.00 41.96 38.91 2br3 s TYR 24 CO 0.26 -0.38 -0.06 -1.01 -1.34 0.00 0.00 175.55 173.01 2br3 s HIS 25 N -0.05 0.79 0.59 4.97 3.76 -1.26 -5.00 115.29 119.09 2br3 s HIS 25 Ca 0.49 -0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.01 2br3 s HIS 25 Cb -0.27 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 2br3 s HIS 25 CO 0.33 -0.13 1.23 -2.14 -0.85 0.00 0.00 174.74 173.17 2br3 s PRO 26 N 0.51 2.97 0.73 8.40 0.02 -1.26 -4.96 135.00 141.41 2br3 s PRO 26 Ca -0.07 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 2br3 s PRO 26 Cb -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2br3 s PRO 26 CO 0.00 -1.22 0.88 -2.30 -0.33 0.00 0.00 177.00 174.04 2br3 n PRO 27 N -1.52 0.44 -4.26 5.54 -0.02 -1.26 -5.04 135.00 128.88 2br3 n PRO 27 Ca 0.13 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 2br3 n PRO 27 Cb 0.49 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 2br3 n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2br3 s VAL 28 N -1.85 0.62 0.10 -1.45 1.01 -1.26 -5.14 120.40 112.43 2br3 s VAL 28 Ca 0.71 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 2br3 s VAL 28 Cb -0.34 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2br3 s VAL 28 CO 0.52 0.21 0.84 -0.76 0.00 0.00 0.00 175.10 175.92 2br3 s LEU 29 N 0.43 4.51 -0.08 3.92 2.01 -1.26 -4.88 118.68 123.32 2br3 s LEU 29 Ca -0.06 1.63 0.03 0.00 0.01 0.00 0.00 54.13 55.75 2br3 s LEU 29 Cb -0.10 -3.39 -0.07 0.00 0.01 0.00 0.00 46.19 42.64 2br3 s LEU 29 CO 0.00 0.04 -0.03 0.35 1.01 0.00 0.00 176.35 177.72 2br3 n THR 30 N 2.48 0.50 -1.24 5.49 -2.24 -1.26 -4.79 114.28 113.21 2br3 n THR 30 Ca -0.01 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2br3 n THR 30 Cb 0.49 -0.82 0.21 0.00 -2.10 0.00 0.00 70.33 68.12 2br3 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br3 n ASP 31 N -2.54 2.83 -3.62 3.42 5.75 -1.26 -5.00 116.55 116.13 2br3 n ASP 31 Ca -0.14 -3.40 -0.08 0.00 -0.01 0.00 0.00 54.79 51.16 2br3 n ASP 31 Cb 0.69 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 2br3 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br3 s ARG 32 N -3.03 0.45 0.53 0.11 1.70 -1.26 -5.12 118.95 112.31 2br3 s ARG 32 Ca 0.40 0.32 -0.21 0.00 -0.47 0.00 0.00 55.73 55.78 2br3 s ARG 32 Cb 0.35 0.21 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 2br3 s ARG 32 CO 0.03 -0.10 1.19 -1.25 -1.08 0.00 0.00 175.30 174.10 2br3 s PRO 33 N -0.38 3.36 0.31 3.89 0.04 -1.26 -4.86 135.00 136.10 2br3 s PRO 33 Ca 0.02 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.91 2br3 s PRO 33 Cb -0.03 -2.16 0.52 0.00 0.04 0.00 0.00 34.50 32.87 2br3 s PRO 33 CO -0.05 -0.89 1.83 -0.09 0.04 0.00 0.00 177.00 177.84 2br3 h ARG 34 N 1.44 0.56 -3.80 4.56 1.12 -2.01 -3.38 114.38 112.86 2br3 h ARG 34 Ca -0.50 -0.14 -0.73 0.00 -1.11 0.00 0.00 59.98 57.50 2br3 h ARG 34 Cb 1.27 -0.07 -0.32 0.00 -0.01 0.00 0.00 29.97 30.84 2br3 h ARG 34 CO 0.58 0.62 -0.26 -0.51 -3.11 0.00 0.00 179.97 177.29 2br3 s ASP 35 N -6.73 5.71 0.03 -3.80 1.01 -1.26 -5.06 116.67 106.57 2br3 s ASP 35 Ca -0.08 -2.63 -0.30 0.00 0.71 0.00 0.00 52.55 50.25 2br3 s ASP 35 Cb 0.15 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2br3 s ASP 35 CO 0.78 -0.48 1.05 0.86 0.21 0.00 0.00 175.17 177.58 2br3 s TRP 36 N 0.27 3.60 0.20 4.23 -0.11 -1.26 -5.01 118.94 120.86 2br3 s TRP 36 Ca 0.15 1.58 -0.30 0.00 1.22 0.00 0.00 56.10 58.76 2br3 s TRP 36 Cb -0.19 -3.21 -0.08 0.00 -1.50 0.00 0.00 33.47 28.49 2br3 s TRP 36 CO -0.04 -0.39 1.13 -1.25 -4.62 0.00 0.00 176.95 171.77 2br3 s PRO 37 N 0.92 4.57 0.40 5.86 0.04 -1.26 -4.95 135.00 140.59 2br3 s PRO 37 Ca 0.54 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.58 2br3 s PRO 37 Cb -0.24 -3.24 0.69 0.00 0.04 0.00 0.00 34.50 31.74 2br3 s PRO 37 CO 0.29 0.06 1.72 -0.07 0.04 0.00 0.00 177.00 179.04 2br3 h LEU 38 N 4.83 0.00 -1.48 -3.56 4.07 -1.97 -2.57 115.31 114.63 2br3 h LEU 38 Ca -0.45 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.47 2br3 h LEU 38 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 2br3 h LEU 38 CO 0.72 0.27 -0.18 -2.24 -1.08 0.00 0.00 178.44 175.93 2br3 h ASP 39 N 0.00 0.00 -1.18 -0.43 2.03 -2.05 -1.75 116.42 113.04 2br3 h ASP 39 Ca -0.00 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 2br3 h ASP 39 Cb 0.91 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.04 2br3 h ASP 39 CO 0.04 0.18 -0.05 0.54 -1.03 0.00 0.00 179.24 178.91 2br3 n ARG 40 N -3.48 3.19 -0.11 4.15 1.74 -0.98 -4.84 116.66 116.33 2br3 n ARG 40 Ca -0.01 -3.91 -0.06 0.00 -0.77 0.00 0.00 57.85 53.11 2br3 n ARG 40 Cb 0.34 -2.27 0.13 0.00 -1.02 0.00 0.00 32.46 29.64 2br3 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br3 h TRP 41 N 2.35 0.88 0.00 -1.55 7.01 -1.22 -2.94 115.95 120.48 2br3 h TRP 41 Ca 0.45 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.30 2br3 h TRP 41 Cb 0.97 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 2br3 h TRP 41 CO 1.05 0.84 0.00 0.00 -2.79 0.00 0.00 178.44 177.54 2br3 n ALA 42 N -2.48 2.27 1.08 2.65 0.00 -1.26 -2.83 120.51 119.93 2br3 n ALA 42 Ca 0.02 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.54 2br3 n ALA 42 Cb 0.34 -1.46 0.55 0.00 0.00 0.00 0.00 19.45 18.89 2br3 n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2br3 n GLU 43 N -1.88 0.10 -2.31 0.00 1.02 -1.11 -4.93 120.64 111.52 2br3 n GLU 43 Ca 0.06 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 2br3 n GLU 43 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 2br3 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br3 s ALA 44 N -2.91 3.47 0.45 0.62 0.00 -1.13 -4.96 121.76 117.30 2br3 s ALA 44 Ca 0.16 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 2br3 s ALA 44 Cb 0.19 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2br3 s ALA 44 CO 0.55 -0.42 1.43 -0.35 0.00 0.00 0.00 175.76 176.97 2br3 n PRO 45 N 2.23 2.26 0.01 0.00 -0.04 -1.26 -4.94 135.00 133.26 2br3 n PRO 45 Ca 0.04 0.80 0.07 0.00 -0.04 0.00 0.00 63.50 64.37 2br3 n PRO 45 Cb 0.44 -2.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.15 2br3 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2br3 n ARG 46 N -0.19 0.64 -1.11 0.54 5.12 -1.26 -4.94 116.66 115.46 2br3 n ARG 46 Ca 0.05 -0.04 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 2br3 n ARG 46 Cb 0.41 -1.63 0.18 0.00 -1.16 0.00 0.00 32.46 30.26 2br3 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br3 s ASP 47 N -5.02 2.58 0.20 0.55 3.84 -1.26 -4.97 116.67 112.59 2br3 s ASP 47 Ca -0.06 1.27 0.05 0.00 -0.00 0.00 0.00 52.55 53.81 2br3 s ASP 47 Cb 0.11 -1.94 0.10 0.00 -1.38 0.00 0.00 42.92 39.80 2br3 s ASP 47 CO 0.86 -3.17 1.45 0.25 -0.00 0.00 0.00 175.17 174.56 2br3 h LEU 48 N -1.92 0.17 0.00 2.11 5.85 -2.04 -3.47 115.31 116.02 2br3 h LEU 48 Ca -0.54 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.05 2br3 h LEU 48 Cb 1.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2br3 h LEU 48 CO 0.56 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 180.16 2br3 n GLY 49 N 0.68 0.75 3.83 3.75 0.00 -1.26 -5.03 105.19 107.90 2br3 n GLY 49 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 2br3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br3 s TYR 50 N -2.34 -0.00 0.03 1.61 -0.85 -1.26 -4.61 117.35 109.93 2br3 s TYR 50 Ca 0.00 -0.50 -0.32 0.00 -0.52 0.00 0.00 57.07 55.73 2br3 s TYR 50 Cb 0.00 0.75 -0.11 0.00 0.38 0.00 0.00 41.96 42.98 2br3 s TYR 50 CO 0.00 -1.22 1.88 0.45 -1.52 0.00 0.00 175.55 175.13 2br3 n SER 51 N -1.00 3.82 -0.67 -0.18 2.88 -1.26 -4.89 113.62 112.32 2br3 n SER 51 Ca -0.06 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2br3 n SER 51 Cb 0.60 -1.47 0.03 0.00 -0.75 0.00 0.00 64.21 62.61 2br3 n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br3 n ASP 52 N 6.39 1.58 0.00 -3.46 5.75 -1.26 -4.62 116.55 120.92 2br3 n ASP 52 Ca 0.20 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2br3 n ASP 52 Cb 0.35 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 2br3 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br3 n PHE 53 N 0.09 0.00 -3.02 2.11 -0.00 -1.26 -4.64 117.46 110.74 2br3 n PHE 53 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.30 2br3 n PHE 53 Cb 0.36 -0.36 -0.02 0.00 -0.00 0.00 0.00 39.48 39.46 2br3 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br3 n SER 54 N -1.59 -0.86 -0.91 -2.13 2.88 -1.26 -4.99 113.62 104.76 2br3 n SER 54 Ca 0.00 -2.99 0.03 0.00 -1.33 0.00 0.00 58.87 54.58 2br3 n SER 54 Cb 0.00 0.29 0.14 0.00 -0.75 0.00 0.00 64.21 63.90 2br3 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br3 n PRO 55 N 1.27 2.27 -3.70 -1.46 -0.04 -1.26 -4.86 135.00 127.22 2br3 n PRO 55 Ca 0.17 -1.11 -0.28 0.00 -0.04 0.00 0.00 63.50 62.24 2br3 n PRO 55 Cb 0.59 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2br3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br3 s TYR 56 N -1.64 3.48 0.20 0.54 1.51 -1.26 -4.97 117.35 115.21 2br3 s TYR 56 Ca 0.19 0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 56.60 2br3 s TYR 56 Cb 0.14 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 2br3 s TYR 56 CO 0.07 0.39 0.17 1.14 -1.11 0.00 0.00 175.55 176.21 2br3 s GLN 57 N -3.20 1.21 -0.15 -0.62 -2.07 -1.26 -1.55 119.66 112.02 2br3 s GLN 57 Ca 0.39 -1.55 -0.04 0.00 -1.82 0.00 0.00 55.36 52.34 2br3 s GLN 57 Cb -0.11 0.29 0.06 0.00 -1.09 0.00 0.00 33.01 32.16 2br3 s GLN 57 CO 0.28 -0.41 0.12 -0.46 -1.32 0.00 0.00 175.29 173.51 2br3 s TRP 58 N -4.12 0.04 -1.57 9.60 -0.11 0.08 -4.77 118.94 118.09 2br3 s TRP 58 Ca 0.35 -0.03 -0.11 0.00 1.22 0.00 0.00 56.10 57.52 2br3 s TRP 58 Cb 0.06 -0.55 0.09 0.00 -1.50 0.00 0.00 33.47 31.57 2br3 s TRP 58 CO 0.10 -0.46 0.68 0.54 -4.62 0.00 0.00 176.95 173.19 2br3 n ARG 59 N 5.30 -3.58 -0.92 5.86 1.74 -1.26 -1.53 116.66 122.26 2br3 n ARG 59 Ca -0.06 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2br3 n ARG 59 Cb 0.49 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.99 2br3 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 60 N -1.66 0.53 3.26 -0.13 0.00 -1.26 -5.02 105.19 100.90 2br3 n GLY 60 Ca -0.08 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2br3 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br3 s LEU 61 N 0.00 2.65 0.18 0.99 1.43 -0.58 -4.32 118.68 119.02 2br3 s LEU 61 Ca 0.00 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2br3 s LEU 61 Cb 0.00 -1.65 -0.17 0.00 0.03 0.00 0.00 46.19 44.40 2br3 s LEU 61 CO 0.00 -0.00 0.71 0.54 0.23 0.00 0.00 176.35 177.83 2br3 n ARG 62 N 4.65 0.25 -4.04 1.70 1.74 -1.26 -0.74 116.66 118.96 2br3 n ARG 62 Ca -0.19 0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 2br3 n ARG 62 Cb 0.51 -1.24 -0.16 0.00 -1.02 0.00 0.00 32.46 30.55 2br3 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br3 s MET 63 N -0.87 2.22 0.37 5.56 -1.94 -0.59 -4.10 119.30 119.95 2br3 s MET 63 Ca 0.68 -1.04 0.20 0.00 -1.71 0.00 0.00 55.69 53.82 2br3 s MET 63 Cb -0.95 -2.63 0.42 0.00 2.01 0.00 0.00 34.83 33.68 2br3 s MET 63 CO 0.56 -0.46 1.61 -0.07 -0.01 0.00 0.00 175.02 176.65 2br3 h LEU 64 N 7.89 0.00 -9.08 -0.03 3.38 -1.93 -3.39 115.31 112.15 2br3 h LEU 64 Ca -0.26 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.12 2br3 h LEU 64 Cb 1.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2br3 h LEU 64 CO 0.49 0.29 0.53 -0.54 0.09 0.00 0.00 178.44 179.31 2br3 s LYS 65 N -3.24 4.23 0.74 1.13 1.02 -1.26 -5.03 119.74 117.32 2br3 s LYS 65 Ca 0.04 1.07 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 2br3 s LYS 65 Cb 0.08 -3.62 0.08 0.00 -0.52 0.00 0.00 37.83 33.84 2br3 s LYS 65 CO 0.69 -0.50 1.06 0.16 -0.92 0.00 0.00 175.35 175.85 2br3 s ASP 66 N 1.26 4.64 0.48 2.83 1.47 -1.26 -4.71 116.67 121.38 2br3 s ASP 66 Ca 0.38 0.47 0.20 0.00 1.18 0.00 0.00 52.55 54.77 2br3 s ASP 66 Cb -0.16 -1.04 1.22 0.00 -0.34 0.00 0.00 42.92 42.60 2br3 s ASP 66 CO 0.08 -1.73 1.99 -0.65 0.68 0.00 0.00 175.17 175.54 2br3 h PRO 67 N -0.74 0.19 -0.27 2.11 0.11 -1.96 -1.05 132.00 130.38 2br3 h PRO 67 Ca -0.44 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 2br3 h PRO 67 Cb 1.31 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2br3 h PRO 67 CO 0.59 0.12 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.55 2br3 h ASP 68 N 0.19 0.87 -0.19 -2.05 5.19 -1.93 -2.20 116.42 116.30 2br3 h ASP 68 Ca 0.27 -0.45 -0.10 0.00 -0.62 0.00 0.00 57.03 56.12 2br3 h ASP 68 Cb 0.79 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2br3 h ASP 68 CO -0.05 1.23 -0.22 0.74 -3.12 0.00 0.00 179.24 177.82 2br3 h THR 69 N 0.61 1.27 -0.74 0.35 2.02 -1.53 -2.51 112.91 112.38 2br3 h THR 69 Ca 0.02 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 2br3 h THR 69 Cb 1.11 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2br3 h THR 69 CO 0.11 0.42 0.31 1.56 0.37 0.00 0.00 175.52 178.29 2br3 h GLN 70 N 0.56 1.10 -0.52 6.66 4.20 -1.19 -1.89 115.11 124.03 2br3 h GLN 70 Ca 0.08 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2br3 h GLN 70 Cb 0.68 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2br3 h GLN 70 CO 0.05 0.89 0.34 0.00 -0.67 0.00 0.00 178.83 179.44 2br3 h ALA 71 N 1.15 0.66 0.09 3.87 0.00 -1.20 0.41 119.26 124.24 2br3 h ALA 71 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2br3 h ALA 71 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2br3 h ALA 71 CO -0.02 0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 2br3 h VAL 72 N 0.70 0.93 -0.26 0.00 2.07 -1.18 -2.59 116.25 115.92 2br3 h VAL 72 Ca 0.19 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 2br3 h VAL 72 Cb -0.08 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2br3 h VAL 72 CO -0.04 0.01 -0.12 1.88 0.02 0.00 0.00 177.57 179.32 2br3 h TYR 73 N -0.14 0.45 -0.67 1.57 -1.99 -1.09 -1.40 116.97 113.69 2br3 h TYR 73 Ca -0.01 -0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.67 2br3 h TYR 73 Cb 0.11 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 2br3 h TYR 73 CO -0.07 0.53 0.43 1.25 -0.00 0.00 0.00 178.16 180.31 2br3 h HIS 74 N 0.40 0.82 -0.11 4.88 2.76 -0.73 -0.72 115.15 122.45 2br3 h HIS 74 Ca 0.08 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.12 2br3 h HIS 74 Cb 0.45 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2br3 h HIS 74 CO 0.01 0.49 -0.57 -0.44 -1.30 0.00 0.00 177.93 176.13 2br3 h ASP 75 N 0.87 0.36 -0.50 3.26 3.32 -1.05 -2.42 116.42 120.27 2br3 h ASP 75 Ca 0.26 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 2br3 h ASP 75 Cb -0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2br3 h ASP 75 CO -0.08 0.86 -0.20 -0.03 -1.72 0.00 0.00 179.24 178.07 2br3 h MET 76 N 0.25 1.01 -0.26 3.56 4.05 -0.71 -1.56 114.93 121.28 2br3 h MET 76 Ca 0.00 -0.43 -0.13 0.00 -0.28 0.00 0.00 59.70 58.86 2br3 h MET 76 Cb 1.07 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2br3 h MET 76 CO 0.09 1.11 -0.36 -0.07 0.23 0.00 0.00 176.91 177.92 2br3 h LEU 77 N 0.88 0.76 -0.93 3.39 4.07 -1.10 -0.70 115.31 121.68 2br3 h LEU 77 Ca 0.12 -0.51 -0.03 0.00 0.08 0.00 0.00 57.88 57.53 2br3 h LEU 77 Cb 0.78 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 2br3 h LEU 77 CO 0.06 1.11 0.35 -0.25 -1.08 0.00 0.00 178.44 178.64 2br3 h TRP 78 N 0.42 1.13 0.13 1.13 2.91 -1.36 0.12 115.95 120.42 2br3 h TRP 78 Ca 0.03 -0.06 -0.27 0.00 1.13 0.00 0.00 58.89 59.72 2br3 h TRP 78 Cb 0.94 -0.35 0.03 0.00 -0.51 0.00 0.00 29.16 29.27 2br3 h TRP 78 CO 0.08 0.83 -1.13 1.49 -1.03 0.00 0.00 178.44 178.68 2br3 h GLU 79 N 1.11 0.54 0.00 2.65 4.81 -1.15 -3.37 114.58 119.17 2br3 h GLU 79 Ca 0.26 -0.75 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2br3 h GLU 79 Cb 0.15 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2br3 h GLU 79 CO -0.03 1.34 -1.65 -0.11 -0.73 0.00 0.00 179.01 177.83 2br3 n LEU 80 N -3.89 0.33 -4.00 1.64 -0.00 -0.28 -5.01 117.00 105.78 2br3 n LEU 80 Ca -0.14 0.13 -0.41 0.00 -0.00 0.00 0.00 56.01 55.59 2br3 n LEU 80 Cb 0.94 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.38 2br3 n LEU 80 CO 0.56 -0.04 -0.17 0.54 -0.00 0.00 0.00 177.39 178.28 2br3 n ARG 81 N -2.45 -0.67 -1.92 1.96 1.74 0.42 -4.78 116.66 110.97 2br3 n ARG 81 Ca -0.04 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 2br3 n ARG 81 Cb 0.60 -3.08 -0.00 0.00 -1.02 0.00 0.00 32.46 28.96 2br3 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br3 s PRO 82 N -7.06 4.07 0.23 5.56 0.04 -1.26 -4.68 135.00 131.91 2br3 s PRO 82 Ca 0.43 2.40 0.12 0.00 0.04 0.00 0.00 61.00 63.99 2br3 s PRO 82 Cb -0.21 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.45 2br3 s PRO 82 CO 0.95 -0.49 1.42 0.00 0.04 0.00 0.00 177.00 178.91 2br3 h ARG 83 N 2.93 0.00 -3.47 4.56 2.47 -0.69 -3.40 114.38 116.78 2br3 h ARG 83 Ca -0.50 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 57.96 2br3 h ARG 83 Cb 1.24 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.25 2br3 h ARG 83 CO 0.64 0.67 -0.67 0.99 0.56 0.00 0.00 179.97 182.15 2br3 s THR 84 N -2.95 -0.04 -0.21 2.04 2.01 -0.88 -1.55 115.64 114.06 2br3 s THR 84 Ca 0.02 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2br3 s THR 84 Cb 0.09 -0.13 0.04 0.00 0.01 0.00 0.00 72.50 72.51 2br3 s THR 84 CO 0.77 0.06 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.97 2br3 s ILE 85 N 0.81 2.05 -0.21 1.82 1.01 -0.58 -1.43 121.20 124.67 2br3 s ILE 85 Ca -0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 2br3 s ILE 85 Cb -0.09 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2br3 s ILE 85 CO -0.03 0.30 0.14 -0.69 0.00 0.00 0.00 174.94 174.65 2br3 s VAL 86 N 1.23 5.40 -0.26 2.92 1.01 -0.34 -0.59 120.40 129.77 2br3 s VAL 86 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2br3 s VAL 86 Cb -0.16 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2br3 s VAL 86 CO -0.10 0.42 -0.08 -1.61 0.00 0.00 0.00 175.10 173.73 2br3 s GLU 87 N 0.50 2.50 -0.24 2.72 0.41 0.10 -1.01 118.70 123.68 2br3 s GLU 87 Ca 0.08 -1.19 -0.19 0.00 -0.41 0.00 0.00 54.97 53.26 2br3 s GLU 87 Cb -0.12 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.27 2br3 s GLU 87 CO -0.01 -0.50 0.55 -1.17 -0.49 0.00 0.00 175.26 173.65 2br3 s LEU 88 N 1.21 4.08 0.00 1.80 0.20 0.20 -1.68 118.68 124.48 2br3 s LEU 88 Ca -0.04 0.62 0.00 0.00 0.69 0.00 0.00 54.13 55.39 2br3 s LEU 88 Cb -0.18 -2.74 0.00 0.00 -0.43 0.00 0.00 46.19 42.84 2br3 s LEU 88 CO -0.05 -0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.33 2br3 n GLY 89 N 4.21 -2.31 0.55 7.98 0.00 0.56 -0.42 105.19 115.75 2br3 n GLY 89 Ca -0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2br3 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br3 n VAL 90 N 0.76 0.64 0.00 1.61 0.31 -1.26 -4.76 118.33 115.63 2br3 n VAL 90 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2br3 n VAL 90 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2br3 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br3 n TYR 91 N -3.42 0.00 1.13 3.52 9.36 -1.26 -3.06 117.16 123.43 2br3 n TYR 91 Ca -0.23 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.13 2br3 n TYR 91 Cb 0.67 0.00 0.52 0.00 -0.63 0.00 0.00 39.34 39.90 2br3 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br3 n ASN 92 N 7.83 0.26 0.00 2.98 6.94 -1.26 -2.61 115.26 129.40 2br3 n ASN 92 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 2br3 n ASN 92 Cb 0.00 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 2br3 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br3 n GLY 93 N 1.43 0.86 0.29 4.83 0.00 -1.17 -0.68 105.19 110.75 2br3 n GLY 93 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 2br3 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br3 h GLY 94 N 0.00 0.47 1.07 -0.02 0.00 -1.84 -1.96 103.07 100.78 2br3 h GLY 94 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 2br3 h GLY 94 CO 0.00 0.19 -0.04 1.76 0.00 0.00 0.00 176.54 178.45 2br3 h SER 95 N 0.44 1.00 -0.40 0.19 0.02 -1.89 -2.15 113.55 110.76 2br3 h SER 95 Ca 0.11 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2br3 h SER 95 Cb 0.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2br3 h SER 95 CO -0.02 1.08 0.22 -0.07 -1.14 0.00 0.00 176.83 176.91 2br3 h LEU 96 N 0.89 0.50 -0.83 5.07 4.07 -1.75 -0.66 115.31 122.59 2br3 h LEU 96 Ca 0.15 -0.08 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 2br3 h LEU 96 Cb 0.60 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 2br3 h LEU 96 CO 0.04 0.44 -0.55 0.00 -1.08 0.00 0.00 178.44 177.28 2br3 h ALA 97 N 1.08 1.02 0.17 1.53 0.00 -1.35 -2.41 119.26 119.30 2br3 h ALA 97 Ca 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2br3 h ALA 97 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2br3 h ALA 97 CO -0.02 0.69 -0.08 2.35 0.00 0.00 0.00 179.25 182.19 2br3 h TRP 98 N 0.07 -0.21 -0.88 0.00 7.01 -1.20 -0.68 115.95 120.06 2br3 h TRP 98 Ca -0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.12 2br3 h TRP 98 Cb 1.00 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 28.06 2br3 h TRP 98 CO 0.01 0.18 0.57 0.74 -2.79 0.00 0.00 178.44 177.14 2br3 h PHE 99 N -0.68 0.84 -0.08 2.65 0.05 -1.10 -0.64 116.94 117.99 2br3 h PHE 99 Ca -0.02 0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.70 2br3 h PHE 99 Cb 0.49 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.17 2br3 h PHE 99 CO 0.06 0.34 -0.30 -0.09 -0.18 0.00 0.00 178.31 178.14 2br3 h ARG 100 N 0.74 0.34 -0.57 1.51 1.12 -1.42 -2.77 114.38 113.33 2br3 h ARG 100 Ca 0.43 -0.26 -0.02 0.00 -1.11 0.00 0.00 59.98 59.02 2br3 h ARG 100 Cb 0.61 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.59 2br3 h ARG 100 CO -0.19 0.89 0.26 -0.44 -3.11 0.00 0.00 179.97 177.38 2br3 h ASP 101 N -0.14 0.73 -0.08 -3.80 3.32 -0.58 -2.22 116.42 113.65 2br3 h ASP 101 Ca -0.01 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2br3 h ASP 101 Cb 0.93 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.30 2br3 h ASP 101 CO 0.06 0.63 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.73 2br3 h LEU 102 N 0.81 0.50 -1.86 1.55 3.38 -1.18 -2.29 115.31 116.22 2br3 h LEU 102 Ca 0.20 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2br3 h LEU 102 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2br3 h LEU 102 CO -0.02 1.07 -0.12 0.71 0.09 0.00 0.00 178.44 180.17 2br3 h THR 103 N -0.04 0.52 -0.00 0.22 1.35 -1.45 -2.19 112.91 111.32 2br3 h THR 103 Ca -0.03 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2br3 h THR 103 Cb 1.07 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2br3 h THR 103 CO 0.09 0.12 -0.01 0.50 -0.25 0.00 0.00 175.52 175.96 2br3 h LYS 104 N 0.00 0.01 0.00 4.72 3.64 -1.11 -1.13 116.57 122.69 2br3 h LYS 104 Ca -0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2br3 h LYS 104 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2br3 h LYS 104 CO 0.02 0.72 -0.17 -0.84 -2.27 0.00 0.00 179.45 176.91 2br3 h ILE 105 N -0.70 1.08 0.00 2.00 3.07 -1.32 -2.61 117.51 119.04 2br3 h ILE 105 Ca -0.00 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.81 2br3 h ILE 105 Cb 0.73 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2br3 h ILE 105 CO 0.00 0.17 0.00 0.24 -1.05 0.00 0.00 178.15 177.51 2br3 h MET 106 N 0.00 0.00 0.00 0.16 2.86 -1.40 -3.47 114.93 113.08 2br3 h MET 106 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2br3 h MET 106 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2br3 h MET 106 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2br3 n GLY 107 N 0.68 0.78 3.76 8.32 0.00 -0.98 -5.04 105.19 112.71 2br3 n GLY 107 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2br3 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br3 s ILE 108 N -2.88 3.73 -0.90 -0.61 1.01 -0.46 -4.99 121.20 116.09 2br3 s ILE 108 Ca 0.00 1.72 -0.17 0.00 0.00 0.00 0.00 60.65 62.20 2br3 s ILE 108 Cb 0.00 -4.09 0.16 0.00 0.01 0.00 0.00 42.46 38.54 2br3 s ILE 108 CO 0.00 0.40 1.02 -0.62 0.00 0.00 0.00 174.94 175.74 2br3 s ASP 109 N -1.03 6.66 -0.04 3.58 3.68 -1.26 -4.41 116.67 123.85 2br3 s ASP 109 Ca 0.44 -2.22 0.06 0.00 2.13 0.00 0.00 52.55 52.96 2br3 s ASP 109 Cb -0.29 -2.34 -0.01 0.00 -1.45 0.00 0.00 42.92 38.82 2br3 s ASP 109 CO 0.37 -0.93 -0.22 0.00 0.13 0.00 0.00 175.17 174.52 2br3 s GLN 111 N -0.20 4.06 -0.01 0.00 -1.52 -0.60 -4.88 119.66 116.50 2br3 s GLN 111 Ca -0.01 -0.23 -0.17 0.00 -1.95 0.00 0.00 55.36 53.00 2br3 s GLN 111 Cb -0.12 -3.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.05 2br3 s GLN 111 CO 0.02 0.00 0.47 0.08 -0.25 0.00 0.00 175.29 175.62 2br3 s VAL 112 N 1.22 5.00 -0.05 1.09 1.01 -0.17 -1.52 120.40 126.98 2br3 s VAL 112 Ca 0.08 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.07 2br3 s VAL 112 Cb -0.14 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2br3 s VAL 112 CO 0.06 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.90 2br3 s ILE 113 N -0.59 1.16 -0.19 2.22 1.01 0.25 -1.97 121.20 123.08 2br3 s ILE 113 Ca 0.26 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2br3 s ILE 113 Cb -0.17 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.30 2br3 s ILE 113 CO 0.14 0.35 -0.16 -0.83 0.00 0.00 0.00 174.94 174.44 2br3 s GLY 114 N 0.34 1.35 -0.12 6.18 0.00 -0.56 0.01 107.32 114.53 2br3 s GLY 114 Ca -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 2br3 s GLY 114 CO 0.02 0.45 -0.02 -0.42 0.00 0.00 0.00 173.10 173.13 2br3 s ILE 115 N 1.32 4.05 -0.18 0.90 1.01 -0.68 -0.92 121.20 126.70 2br3 s ILE 115 Ca 0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2br3 s ILE 115 Cb -0.14 -2.73 0.14 0.00 0.01 0.00 0.00 42.46 39.74 2br3 s ILE 115 CO -0.11 0.55 1.09 -0.62 0.00 0.00 0.00 174.94 175.85 2br3 s ASP 116 N -0.27 -0.27 0.08 3.58 -1.08 -0.73 -0.32 116.67 117.66 2br3 s ASP 116 Ca 0.05 0.26 -0.14 0.00 -0.52 0.00 0.00 52.55 52.21 2br3 s ASP 116 Cb -0.12 0.23 -0.19 0.00 -1.46 0.00 0.00 42.92 41.38 2br3 s ASP 116 CO 0.02 -0.28 1.25 0.08 0.52 0.00 0.00 175.17 176.76 2br3 h ARG 117 N 2.37 0.73 -4.45 4.34 0.11 -1.78 -2.83 114.38 112.87 2br3 h ARG 117 Ca -0.15 -0.67 -0.71 0.00 0.10 0.00 0.00 59.98 58.55 2br3 h ARG 117 Cb 1.17 0.16 -0.32 0.00 1.11 0.00 0.00 29.97 32.10 2br3 h ARG 117 CO 0.28 1.27 -0.50 0.34 0.10 0.00 0.00 179.97 181.46 2br3 s ASP 118 N -7.14 5.43 0.00 0.08 2.15 -1.26 -4.75 116.67 111.18 2br3 s ASP 118 Ca -0.10 -1.83 0.21 0.00 0.43 0.00 0.00 52.55 51.26 2br3 s ASP 118 Cb 0.07 -1.90 0.60 0.00 -0.30 0.00 0.00 42.92 41.39 2br3 s ASP 118 CO 0.90 -0.56 1.47 0.18 -0.17 0.00 0.00 175.17 177.00 2br3 n LEU 119 N 4.75 2.40 0.25 -1.34 4.77 -1.26 -4.48 117.00 122.09 2br3 n LEU 119 Ca -0.06 -1.02 0.16 0.00 -0.03 0.00 0.00 56.01 55.06 2br3 n LEU 119 Cb 0.42 -0.16 0.64 0.00 -2.33 0.00 0.00 43.42 41.98 2br3 n LEU 119 CO 0.36 0.51 0.97 0.77 -1.33 0.00 0.00 177.39 178.67 2br3 h SER 120 N 3.15 0.00 1.27 -1.43 4.64 -1.92 -2.84 113.55 116.42 2br3 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br3 h SER 120 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2br3 h SER 120 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2br3 n ARG 121 N -2.96 0.15 -2.05 4.77 3.00 -1.26 -4.90 116.66 113.42 2br3 n ARG 121 Ca 0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.85 57.56 2br3 n ARG 121 Cb 0.30 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 2br3 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br3 n GLN 123 N 3.53 1.31 -2.27 0.00 1.13 0.15 -4.96 117.38 116.26 2br3 n GLN 123 Ca 0.11 -1.48 -0.42 0.00 -1.94 0.00 0.00 57.00 53.27 2br3 n GLN 123 Cb 0.40 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.48 2br3 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br3 s ILE 124 N -1.01 3.94 0.48 5.09 1.01 -1.26 -4.98 121.20 124.47 2br3 s ILE 124 Ca 0.17 1.22 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 2br3 s ILE 124 Cb 0.11 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 2br3 s ILE 124 CO 0.16 -0.06 1.19 -2.16 0.00 0.00 0.00 174.94 174.07 2br3 s PRO 125 N 3.09 3.63 0.43 2.79 0.04 -1.26 -4.89 135.00 138.83 2br3 s PRO 125 Ca 0.62 1.84 0.22 0.00 0.04 0.00 0.00 61.00 63.72 2br3 s PRO 125 Cb -0.28 -2.36 1.20 0.00 0.04 0.00 0.00 34.50 33.10 2br3 s PRO 125 CO 0.23 -0.68 1.78 0.00 0.04 0.00 0.00 177.00 178.37 2br3 h ALA 126 N 1.90 2.41 0.00 8.56 0.00 -2.01 -1.64 119.26 128.48 2br3 h ALA 126 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2br3 h ALA 126 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2br3 h ALA 126 CO 0.59 -0.80 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 2br3 n SER 127 N -4.53 0.00 -1.42 0.00 3.41 -1.26 -3.02 113.62 106.80 2br3 n SER 127 Ca 0.25 0.29 -0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2br3 n SER 127 Cb 0.94 -0.37 0.10 0.00 -0.26 0.00 0.00 64.21 64.62 2br3 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2br3 n ASP 128 N -1.37 1.95 -1.46 4.04 2.03 -0.62 -4.81 116.55 116.31 2br3 n ASP 128 Ca 0.04 -3.00 0.08 0.00 0.52 0.00 0.00 54.79 52.43 2br3 n ASP 128 Cb 0.09 -0.42 0.34 0.00 -0.72 0.00 0.00 41.12 40.41 2br3 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2br3 n MET 129 N -0.45 4.02 -1.94 -0.67 2.81 -1.17 -4.94 117.12 114.77 2br3 n MET 129 Ca 0.17 -2.99 -0.42 0.00 -1.81 0.00 0.00 57.70 52.64 2br3 n MET 129 Cb 0.90 -2.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 2br3 n MET 129 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2br3 s GLU 130 N -2.65 4.19 -1.28 0.03 2.12 -1.26 -1.28 118.70 118.58 2br3 s GLU 130 Ca 0.49 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.11 2br3 s GLU 130 Cb 0.37 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2br3 s GLU 130 CO 0.14 -0.79 0.00 0.09 -0.54 0.00 0.00 175.26 174.16 2br3 n ASN 131 N 6.40 -4.42 -4.04 -1.70 5.03 -1.26 -4.99 115.26 110.27 2br3 n ASN 131 Ca 0.17 0.07 -0.23 0.00 0.87 0.00 0.00 54.58 55.45 2br3 n ASN 131 Cb 0.42 -3.49 -0.16 0.00 -1.02 0.00 0.00 39.78 35.52 2br3 n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br3 s ILE 132 N -2.67 1.07 -0.06 2.41 1.01 -0.40 -0.99 121.20 121.56 2br3 s ILE 132 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2br3 s ILE 132 Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.53 2br3 s ILE 132 CO 0.00 0.33 -0.08 -0.89 0.00 0.00 0.00 174.94 174.30 2br3 s THR 133 N 0.33 0.83 0.35 2.92 2.01 -0.83 -4.93 115.64 116.32 2br3 s THR 133 Ca -0.07 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2br3 s THR 133 Cb -0.12 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 2br3 s THR 133 CO 0.02 0.30 0.62 -0.76 -0.69 0.00 0.00 174.62 174.11 2br3 s LEU 134 N 0.97 3.94 -0.23 4.42 2.01 -1.26 -1.50 118.68 127.03 2br3 s LEU 134 Ca -0.10 0.73 -0.04 0.00 0.01 0.00 0.00 54.13 54.74 2br3 s LEU 134 Cb -0.15 -3.60 0.12 0.00 0.01 0.00 0.00 46.19 42.58 2br3 s LEU 134 CO 0.00 -0.31 0.40 -1.00 1.01 0.00 0.00 176.35 176.45 2br3 s HIS 135 N -2.30 -0.86 -0.34 0.29 3.76 -0.10 -4.91 115.29 110.83 2br3 s HIS 135 Ca 0.44 1.12 -0.20 0.00 -0.15 0.00 0.00 55.06 56.28 2br3 s HIS 135 Cb -0.10 0.15 -0.00 0.00 1.11 0.00 0.00 32.58 33.73 2br3 s HIS 135 CO 0.34 -0.65 0.59 -1.14 -0.85 0.00 0.00 174.74 173.04 2br3 s GLN 136 N 2.59 3.74 0.36 1.40 0.74 -1.26 -1.77 119.66 125.46 2br3 s GLN 136 Ca 0.08 0.06 -0.07 0.00 0.05 0.00 0.00 55.36 55.49 2br3 s GLN 136 Cb -0.14 -3.78 0.02 0.00 1.10 0.00 0.00 33.01 30.21 2br3 s GLN 136 CO -0.15 -0.65 0.58 0.20 -0.55 0.00 0.00 175.29 174.72 2br3 s GLY 137 N 1.73 1.15 -0.07 2.59 0.00 -1.07 -4.95 107.32 106.71 2br3 s GLY 137 Ca 0.23 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 2br3 s GLY 137 CO 0.13 -0.78 0.06 -0.35 0.00 0.00 0.00 173.10 172.16 2br3 s ASP 138 N -3.19 5.65 0.03 1.64 3.68 -1.26 -2.40 116.67 120.82 2br3 s ASP 138 Ca 0.26 0.22 -0.29 0.00 2.13 0.00 0.00 52.55 54.87 2br3 s ASP 138 Cb -0.02 -1.66 -0.17 0.00 -1.45 0.00 0.00 42.92 39.62 2br3 s ASP 138 CO 0.18 0.35 1.33 0.00 0.13 0.00 0.00 175.17 177.15 2br3 h SER 140 N -1.04 0.00 -3.80 0.00 0.02 -1.94 -3.36 113.55 103.43 2br3 h SER 140 Ca -0.09 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.24 2br3 h SER 140 Cb 0.69 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.91 2br3 h SER 140 CO 0.14 0.00 -0.86 1.51 -1.14 0.00 0.00 176.83 176.48 2br3 s ASP 141 N -3.57 2.63 0.00 3.07 1.47 -1.25 -5.03 116.67 113.99 2br3 s ASP 141 Ca -0.02 -0.44 0.31 0.00 1.18 0.00 0.00 52.55 53.58 2br3 s ASP 141 Cb 0.04 -0.85 1.73 0.00 -0.34 0.00 0.00 42.92 43.51 2br3 s ASP 141 CO 0.14 0.18 2.15 0.18 0.68 0.00 0.00 175.17 178.50 2br3 n LEU 142 N 3.19 0.00 0.00 2.11 4.77 -1.26 -3.48 117.00 122.34 2br3 n LEU 142 Ca -0.18 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 55.94 2br3 n LEU 142 Cb 0.52 -0.13 0.36 0.00 -2.33 0.00 0.00 43.42 41.85 2br3 n LEU 142 CO 0.26 -0.00 1.05 0.74 -1.33 0.00 0.00 177.39 178.10 2br3 h THR 143 N 0.00 1.15 -0.75 -5.08 2.02 -1.92 -2.64 112.91 105.70 2br3 h THR 143 Ca 0.00 -0.49 0.16 0.00 0.77 0.00 0.00 66.41 66.85 2br3 h THR 143 Cb 0.13 0.73 -0.14 0.00 -1.74 0.00 0.00 68.15 67.13 2br3 h THR 143 CO 0.00 0.19 -0.07 0.74 0.37 0.00 0.00 175.52 176.75 2br3 h THR 144 N 0.52 0.30 0.17 3.16 2.02 -1.80 -2.87 112.91 114.41 2br3 h THR 144 Ca 0.13 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 66.95 2br3 h THR 144 Cb 0.13 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2br3 h THR 144 CO -0.01 0.01 -1.69 -0.26 0.37 0.00 0.00 175.52 173.94 2br3 h PHE 145 N 0.06 0.66 -0.40 3.16 -1.00 -1.76 -3.37 116.94 114.28 2br3 h PHE 145 Ca 0.39 -0.48 0.04 0.00 2.81 0.00 0.00 57.97 60.73 2br3 h PHE 145 Cb 0.66 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.15 2br3 h PHE 145 CO -0.49 1.60 -0.24 1.49 -1.61 0.00 0.00 178.31 179.06 2br3 h GLU 146 N 0.10 -0.00 -6.43 1.51 4.81 -1.25 -3.38 114.58 109.94 2br3 h GLU 146 Ca -0.32 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.31 2br3 h GLU 146 Cb 2.08 0.00 0.05 0.00 0.63 0.00 0.00 28.75 31.51 2br3 h GLU 146 CO 0.18 -0.00 0.81 0.72 -0.73 0.00 0.00 179.01 179.98 2br3 n HIS 147 N -3.91 2.19 -2.91 0.92 8.25 -1.21 -2.17 115.22 116.37 2br3 n HIS 147 Ca 0.01 0.27 -0.05 0.00 -0.26 0.00 0.00 57.72 57.69 2br3 n HIS 147 Cb 0.11 -2.54 0.02 0.00 1.12 0.00 0.00 29.99 28.70 2br3 n HIS 147 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2br3 n LEU 148 N 3.90 -5.81 -2.13 2.41 4.32 -1.26 -4.98 117.00 113.45 2br3 n LEU 148 Ca 0.18 -0.26 -0.28 0.00 -0.02 0.00 0.00 56.01 55.63 2br3 n LEU 148 Cb 0.27 -2.96 0.07 0.00 -1.62 0.00 0.00 43.42 39.19 2br3 n LEU 148 CO 0.65 -0.60 0.93 -2.11 -1.22 0.00 0.00 177.39 175.05 2br3 n ARG 149 N -2.15 2.94 -2.78 3.23 1.85 -0.92 -4.66 116.66 114.17 2br3 n ARG 149 Ca -0.02 -3.59 -0.26 0.00 -1.00 0.00 0.00 57.85 52.98 2br3 n ARG 149 Cb 0.54 -2.25 -0.02 0.00 -1.05 0.00 0.00 32.46 29.68 2br3 n ARG 149 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2br3 n GLU 150 N -0.87 3.20 -4.04 2.89 0.00 -1.26 -5.01 120.64 115.55 2br3 n GLU 150 Ca 0.54 -4.67 -0.31 0.00 0.00 0.00 0.00 57.16 52.72 2br3 n GLU 150 Cb 0.84 -2.21 -0.06 0.00 0.00 0.00 0.00 31.44 30.01 2br3 n GLU 150 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2br3 s MET 151 N -3.46 2.94 0.64 3.44 -1.94 -1.26 -5.11 119.30 114.54 2br3 s MET 151 Ca 0.48 -0.66 -0.15 0.00 -1.71 0.00 0.00 55.69 53.65 2br3 s MET 151 Cb 0.33 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 2br3 s MET 151 CO -0.15 0.57 1.08 0.00 -0.01 0.00 0.00 175.02 176.51 2br3 s ALA 152 N -1.40 2.58 0.26 3.03 0.00 -1.26 -5.04 121.76 119.93 2br3 s ALA 152 Ca 0.30 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.80 2br3 s ALA 152 Cb -0.12 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2br3 s ALA 152 CO 0.22 -1.11 -0.12 -1.01 0.00 0.00 0.00 175.76 173.75 2br3 s HIS 153 N -2.46 2.47 0.78 0.00 3.76 -1.26 -3.83 115.29 114.76 2br3 s HIS 153 Ca 0.65 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2br3 s HIS 153 Cb -0.18 -1.10 0.06 0.00 1.11 0.00 0.00 32.58 32.48 2br3 s HIS 153 CO 0.41 0.66 1.11 -2.14 -0.85 0.00 0.00 174.74 173.93 2br3 s PRO 154 N -3.48 2.10 0.03 8.40 0.02 -1.26 -4.54 135.00 136.26 2br3 s PRO 154 Ca 0.30 1.30 0.03 0.00 0.02 0.00 0.00 61.00 62.65 2br3 s PRO 154 Cb -0.06 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 2br3 s PRO 154 CO 0.17 -1.78 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.79 2br3 s LEU 155 N -5.86 2.17 -0.16 -5.54 0.20 -1.26 -0.03 118.68 108.20 2br3 s LEU 155 Ca 0.64 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 55.06 2br3 s LEU 155 Cb -0.19 -0.33 0.02 0.00 -0.43 0.00 0.00 46.19 45.26 2br3 s LEU 155 CO 0.54 -0.06 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.72 2br3 s ILE 156 N -0.90 1.85 -0.16 6.68 1.01 -0.52 -1.92 121.20 127.24 2br3 s ILE 156 Ca -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 2br3 s ILE 156 Cb -0.07 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2br3 s ILE 156 CO 0.01 0.51 0.11 0.12 0.00 0.00 0.00 174.94 175.68 2br3 s PHE 157 N 1.24 3.42 -0.15 3.97 5.36 -0.49 -1.20 117.98 130.12 2br3 s PHE 157 Ca 0.02 0.33 -0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2br3 s PHE 157 Cb -0.14 -2.05 0.04 0.00 -0.34 0.00 0.00 43.02 40.53 2br3 s PHE 157 CO -0.09 0.42 -0.07 0.42 -1.46 0.00 0.00 175.22 174.44 2br3 s ILE 158 N -0.17 1.15 -0.41 3.12 1.01 -0.18 -0.81 121.20 124.90 2br3 s ILE 158 Ca 0.10 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2br3 s ILE 158 Cb -0.12 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2br3 s ILE 158 CO 0.01 0.22 0.80 -0.62 0.00 0.00 0.00 174.94 175.34 2br3 s ASP 159 N 1.63 6.48 0.00 3.58 3.68 0.03 -0.63 116.67 131.44 2br3 s ASP 159 Ca 0.02 0.13 0.04 0.00 2.13 0.00 0.00 52.55 54.87 2br3 s ASP 159 Cb -0.14 -2.40 0.09 0.00 -1.45 0.00 0.00 42.92 39.02 2br3 s ASP 159 CO -0.08 -0.84 1.01 0.47 0.13 0.00 0.00 175.17 175.86 2br3 n ASP 160 N 6.62 2.16 -0.13 -0.34 8.00 0.43 -2.84 116.55 130.45 2br3 n ASP 160 Ca 0.03 -1.86 -0.21 0.00 0.71 0.00 0.00 54.79 53.46 2br3 n ASP 160 Cb 0.48 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.40 2br3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br3 n ALA 161 N -0.09 1.39 -1.87 2.24 0.00 -1.06 -4.73 120.51 116.40 2br3 n ALA 161 Ca 0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 2br3 n ALA 161 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 2br3 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br3 n HIS 162 N -3.50 -0.30 -5.09 0.00 8.25 -1.26 -5.03 115.22 108.30 2br3 n HIS 162 Ca -0.47 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.66 2br3 n HIS 162 Cb 0.96 -2.19 -0.16 0.00 1.12 0.00 0.00 29.99 29.72 2br3 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br3 s ALA 163 N -2.43 2.35 -1.48 -1.41 0.00 -1.26 -4.69 121.76 112.84 2br3 s ALA 163 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2br3 s ALA 163 Cb 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 23.12 22.31 2br3 s ALA 163 CO 0.00 0.37 0.99 -1.71 0.00 0.00 0.00 175.76 175.42 2br3 n ASN 164 N 3.10 -4.70 -0.06 0.00 5.15 -1.26 -4.78 115.26 112.72 2br3 n ASN 164 Ca -0.18 -0.74 -0.12 0.00 -0.60 0.00 0.00 54.58 52.95 2br3 n ASN 164 Cb 0.52 -4.12 -0.06 0.00 -0.53 0.00 0.00 39.78 35.59 2br3 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2br3 h THR 165 N -2.18 1.25 -0.10 -0.44 2.02 -1.99 -2.25 112.91 109.23 2br3 h THR 165 Ca -0.58 -0.84 -0.16 0.00 0.77 0.00 0.00 66.41 65.60 2br3 h THR 165 Cb 1.37 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2br3 h THR 165 CO 0.64 0.25 -0.63 -0.26 0.37 0.00 0.00 175.52 175.90 2br3 h PHE 166 N 0.06 0.46 -0.70 3.16 -1.00 -1.99 -1.17 116.94 115.77 2br3 h PHE 166 Ca 0.05 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 2br3 h PHE 166 Cb 0.38 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 2br3 h PHE 166 CO 0.03 0.88 0.33 -0.91 -1.61 0.00 0.00 178.31 177.04 2br3 h ASN 167 N 0.26 0.92 0.09 2.17 2.35 -1.95 -1.29 115.58 118.13 2br3 h ASN 167 Ca -0.01 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2br3 h ASN 167 Cb 1.16 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2br3 h ASN 167 CO 0.10 0.80 -0.24 0.40 -1.65 0.00 0.00 177.43 176.84 2br3 h ILE 168 N 0.98 1.23 -0.25 2.81 2.04 -1.00 -0.43 117.51 122.89 2br3 h ILE 168 Ca 0.24 -1.10 -0.16 0.00 1.00 0.00 0.00 64.86 64.84 2br3 h ILE 168 Cb 0.13 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2br3 h ILE 168 CO -0.03 0.33 -0.50 -0.03 0.00 0.00 0.00 178.15 177.92 2br3 h MET 169 N 0.23 0.69 0.67 2.37 4.05 -1.01 -0.21 114.93 121.73 2br3 h MET 169 Ca 0.04 -0.41 -0.03 0.00 -0.28 0.00 0.00 59.70 59.01 2br3 h MET 169 Cb 0.56 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2br3 h MET 169 CO 0.04 1.03 -0.32 -0.22 0.23 0.00 0.00 176.91 177.67 2br3 h LYS 170 N 0.54 -0.87 -0.95 0.39 3.64 -0.62 -1.32 116.57 117.39 2br3 h LYS 170 Ca 0.02 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.74 2br3 h LYS 170 Cb 1.06 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 2br3 h LYS 170 CO 0.10 -0.54 0.43 2.35 -2.27 0.00 0.00 179.45 179.52 2br3 h TRP 171 N -1.07 0.69 -0.12 1.91 7.01 -1.13 -1.76 115.95 121.48 2br3 h TRP 171 Ca -0.09 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 2br3 h TRP 171 Cb 0.73 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2br3 h TRP 171 CO -0.00 -0.18 0.02 0.00 -2.79 0.00 0.00 178.44 175.49 2br3 h ALA 172 N 1.82 0.16 -0.49 2.65 0.00 -0.61 -1.74 119.26 121.06 2br3 h ALA 172 Ca 0.65 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 2br3 h ALA 172 Cb 1.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2br3 h ALA 172 CO -0.62 -0.19 0.06 0.28 0.00 0.00 0.00 179.25 178.78 2br3 h VAL 173 N -0.02 1.23 0.00 0.00 2.07 -0.56 0.29 116.25 119.26 2br3 h VAL 173 Ca 0.04 -0.88 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 2br3 h VAL 173 Cb 0.28 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2br3 h VAL 173 CO 0.00 0.32 -0.67 0.44 0.02 0.00 0.00 177.57 177.68 2br3 h ASP 174 N 0.73 0.00 0.00 0.57 3.32 -1.20 -3.41 116.42 116.43 2br3 h ASP 174 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2br3 h ASP 174 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2br3 h ASP 174 CO 0.01 0.67 -0.60 1.41 -1.72 0.00 0.00 179.24 179.01 2br3 n HIS 175 N -3.41 0.00 -0.09 4.55 8.25 -0.67 -4.98 115.22 118.87 2br3 n HIS 175 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2br3 n HIS 175 Cb 0.74 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.81 2br3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br3 n LEU 176 N -1.91 1.87 -4.78 2.41 7.94 -0.43 -5.05 117.00 117.06 2br3 n LEU 176 Ca 0.00 0.32 -0.35 0.00 -1.11 0.00 0.00 56.01 54.87 2br3 n LEU 176 Cb 0.30 -0.72 -0.01 0.00 0.53 0.00 0.00 43.42 43.52 2br3 n LEU 176 CO 0.00 -0.14 0.77 -0.76 -1.11 0.00 0.00 177.39 176.16 2br3 s LEU 177 N -7.76 3.82 0.46 -1.96 1.43 -0.04 -5.03 118.68 109.59 2br3 s LEU 177 Ca -0.29 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.98 2br3 s LEU 177 Cb 0.06 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 2br3 s LEU 177 CO 0.41 -1.06 0.10 -1.61 0.23 0.00 0.00 176.35 174.42 2br3 s GLU 178 N -3.16 2.07 0.27 1.70 2.02 -1.26 -4.91 118.70 115.42 2br3 s GLU 178 Ca 0.70 -2.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 2br3 s GLU 178 Cb -0.23 -0.87 -0.10 0.00 0.10 0.00 0.00 34.13 33.03 2br3 s GLU 178 CO 0.27 -0.49 1.47 -2.00 0.02 0.00 0.00 175.26 174.53 2br3 s GLU 179 N -3.73 4.23 0.00 1.61 2.12 -1.26 -2.33 118.70 119.34 2br3 s GLU 179 Ca 0.15 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.85 2br3 s GLU 179 Cb 0.01 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2br3 s GLU 179 CO 0.10 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2br3 n GLY 180 N 2.09 2.24 3.80 -1.50 0.00 -1.26 -4.94 105.19 105.61 2br3 n GLY 180 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2br3 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br3 s ASP 181 N -2.96 5.85 0.10 1.61 1.11 -0.98 -4.72 116.67 116.67 2br3 s ASP 181 Ca 0.00 1.83 0.05 0.00 0.18 0.00 0.00 52.55 54.61 2br3 s ASP 181 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2br3 s ASP 181 CO 0.00 -1.12 0.00 -0.31 1.18 0.00 0.00 175.17 174.92 2br3 s TYR 182 N -2.41 2.99 -0.13 4.23 1.51 -0.81 -0.72 117.35 122.01 2br3 s TYR 182 Ca 0.64 -0.03 -0.00 0.00 -1.01 0.00 0.00 57.07 56.67 2br3 s TYR 182 Cb -0.16 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2br3 s TYR 182 CO 0.35 0.48 -0.09 0.12 -1.11 0.00 0.00 175.55 175.31 2br3 s PHE 183 N -1.34 1.69 -0.18 2.71 5.36 -0.29 -1.40 117.98 124.53 2br3 s PHE 183 Ca 0.26 -0.90 0.01 0.00 -0.96 0.00 0.00 56.93 55.33 2br3 s PHE 183 Cb -0.12 -1.34 0.03 0.00 -0.34 0.00 0.00 43.02 41.26 2br3 s PHE 183 CO 0.18 -0.57 -0.15 0.42 -1.46 0.00 0.00 175.22 173.65 2br3 s ILE 184 N 1.64 1.75 -0.50 3.12 1.01 0.01 -2.00 121.20 126.23 2br3 s ILE 184 Ca 0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 2br3 s ILE 184 Cb -0.13 -1.68 0.10 0.00 0.01 0.00 0.00 42.46 40.76 2br3 s ILE 184 CO -0.09 0.38 0.44 -0.63 0.00 0.00 0.00 174.94 175.05 2br3 s ILE 185 N 1.39 5.21 0.09 2.92 1.01 -0.22 -0.79 121.20 130.80 2br3 s ILE 185 Ca 0.03 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 2br3 s ILE 185 Cb -0.14 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2br3 s ILE 185 CO -0.10 -0.72 1.01 -1.61 0.00 0.00 0.00 174.94 173.52 2br3 s GLU 186 N 1.62 4.63 0.00 2.79 2.02 -1.13 -4.45 118.70 124.17 2br3 s GLU 186 Ca 0.04 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.54 2br3 s GLU 186 Cb -0.27 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2br3 s GLU 186 CO 0.05 0.09 0.00 -0.25 0.02 0.00 0.00 175.26 175.17 2br3 n ASP 187 N 3.09 0.00 0.08 -0.19 8.00 0.09 -4.71 116.55 122.91 2br3 n ASP 187 Ca 0.04 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 2br3 n ASP 187 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.46 2br3 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br3 h MET 188 N 0.00 0.17 -0.15 -1.24 2.86 -1.87 -3.39 114.93 111.31 2br3 h MET 188 Ca 0.00 -0.28 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 2br3 h MET 188 Cb 0.00 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2br3 h MET 188 CO 0.00 1.11 -0.08 0.82 1.06 0.00 0.00 176.91 179.82 2br3 h ILE 189 N 0.05 0.75 -0.27 -1.22 2.04 -1.84 -0.54 117.51 116.48 2br3 h ILE 189 Ca -0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2br3 h ILE 189 Cb 1.91 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2br3 h ILE 189 CO 0.17 0.00 0.27 -0.65 0.00 0.00 0.00 178.15 177.94 2br3 h PRO 190 N -0.07 0.00 0.15 2.37 0.11 -1.80 -0.05 132.00 132.72 2br3 h PRO 190 Ca 0.08 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.94 2br3 h PRO 190 Cb 0.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.31 2br3 h PRO 190 CO -0.19 0.00 -1.22 1.88 -0.21 0.00 0.00 178.00 178.26 2br3 h TYR 191 N 0.00 0.57 -0.42 0.65 -1.99 -1.39 -2.83 116.97 111.56 2br3 h TYR 191 Ca 0.13 -0.41 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 2br3 h TYR 191 Cb 0.67 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2br3 h TYR 191 CO 0.00 1.47 0.19 -1.49 -0.00 0.00 0.00 178.16 178.33 2br3 h TRP 192 N -0.25 0.57 -0.12 4.88 6.55 -0.66 -0.96 115.95 125.96 2br3 h TRP 192 Ca -0.24 -0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.45 2br3 h TRP 192 Cb 1.79 -0.18 0.01 0.00 -0.86 0.00 0.00 29.16 29.91 2br3 h TRP 192 CO 0.15 0.43 -0.46 -0.92 -1.05 0.00 0.00 178.44 176.60 2br3 h TYR 193 N 0.59 0.69 -0.79 0.49 3.20 -1.15 -0.80 116.97 119.20 2br3 h TYR 193 Ca 0.15 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 61.76 2br3 h TYR 193 Cb 0.08 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 2br3 h TYR 193 CO 0.00 1.06 0.50 -0.09 -1.64 0.00 0.00 178.16 177.99 2br3 h ARG 194 N 0.13 0.95 0.10 1.82 2.43 -1.21 -2.73 114.38 115.87 2br3 h ARG 194 Ca -0.02 -0.06 -0.36 0.00 -0.81 0.00 0.00 59.98 58.73 2br3 h ARG 194 Cb 1.09 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2br3 h ARG 194 CO 0.10 0.63 -2.03 0.66 -1.51 0.00 0.00 179.97 177.81 2br3 n TYR 195 N -4.60 1.09 -3.28 2.20 0.53 -0.40 -4.60 117.16 108.10 2br3 n TYR 195 Ca 0.09 0.24 -0.25 0.00 -1.02 0.00 0.00 57.90 56.96 2br3 n TYR 195 Cb 0.09 -1.14 -0.07 0.00 -1.03 0.00 0.00 39.34 37.19 2br3 n TYR 195 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br3 n ALA 196 N -3.06 3.35 -0.09 -0.72 0.00 -0.31 -4.98 120.51 114.70 2br3 n ALA 196 Ca -0.34 -4.15 -0.11 0.00 0.00 0.00 0.00 53.44 48.85 2br3 n ALA 196 Cb 1.02 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2br3 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br3 h PRO 197 N 3.94 0.45 0.39 0.00 0.13 -1.63 -1.14 132.00 134.14 2br3 h PRO 197 Ca 0.14 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2br3 h PRO 197 Cb 0.75 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 2br3 h PRO 197 CO 0.67 0.55 -0.44 0.37 -0.23 0.00 0.00 178.00 178.91 2br3 h GLN 198 N 0.28 -0.83 -0.90 0.86 4.15 -1.93 -1.94 115.11 114.79 2br3 h GLN 198 Ca 0.09 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2br3 h GLN 198 Cb 0.30 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2br3 h GLN 198 CO 0.00 -0.55 0.49 -0.07 -1.93 0.00 0.00 178.83 176.78 2br3 h LEU 199 N -0.86 1.13 0.00 -2.39 3.38 -1.95 -2.66 115.31 111.96 2br3 h LEU 199 Ca -0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2br3 h LEU 199 Cb 0.77 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2br3 h LEU 199 CO -0.10 0.90 -0.00 0.15 0.09 0.00 0.00 178.44 179.49 2br3 h PHE 200 N 1.26 -0.00 -0.36 1.13 3.57 -1.14 -2.03 116.94 119.37 2br3 h PHE 200 Ca 0.32 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.90 2br3 h PHE 200 Cb 0.03 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 2br3 h PHE 200 CO 0.01 0.31 -0.21 0.77 -2.23 0.00 0.00 178.31 176.97 2br3 h SER 201 N -0.31 -0.70 -0.80 0.41 0.02 -1.27 -0.30 113.55 110.60 2br3 h SER 201 Ca -0.00 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2br3 h SER 201 Cb 0.31 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 2br3 h SER 201 CO 0.00 -0.24 0.34 -0.08 -1.14 0.00 0.00 176.83 175.71 2br3 h GLU 202 N -0.15 1.18 -0.20 3.45 4.81 -1.46 -1.50 114.58 120.71 2br3 h GLU 202 Ca 0.18 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2br3 h GLU 202 Cb 0.43 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2br3 h GLU 202 CO -0.46 0.94 -0.11 1.88 -0.73 0.00 0.00 179.01 180.53 2br3 h TYR 203 N 1.16 0.49 -0.48 0.92 0.99 -0.78 -1.58 116.97 117.68 2br3 h TYR 203 Ca 0.27 -0.13 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 2br3 h TYR 203 Cb 0.18 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 2br3 h TYR 203 CO 0.02 0.72 -0.08 1.25 -0.00 0.00 0.00 178.16 180.07 2br3 h LEU 204 N 0.12 0.84 -0.33 3.88 6.46 -0.95 -2.48 115.31 122.85 2br3 h LEU 204 Ca 0.04 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2br3 h LEU 204 Cb 0.60 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2br3 h LEU 204 CO 0.03 0.95 0.00 0.61 -0.62 0.00 0.00 178.44 179.41 2br3 n GLY 205 N -0.43 -1.50 0.28 3.75 0.00 -0.57 -2.05 105.19 104.66 2br3 n GLY 205 Ca 0.02 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2br3 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2br3 h ALA 206 N 2.41 1.41 -0.54 4.61 0.00 -0.79 -2.62 119.26 123.74 2br3 h ALA 206 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2br3 h ALA 206 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2br3 h ALA 206 CO 0.00 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2br3 n PHE 207 N -3.77 0.98 0.18 0.00 3.01 -0.87 -4.67 117.46 112.33 2br3 n PHE 207 Ca -0.02 -0.43 0.09 0.00 1.01 0.00 0.00 57.45 58.10 2br3 n PHE 207 Cb 0.17 -0.11 0.62 0.00 -0.01 0.00 0.00 39.48 40.15 2br3 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br3 h ARG 208 N 3.30 0.08 -0.00 -1.08 0.11 -1.59 -0.77 114.38 114.42 2br3 h ARG 208 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2br3 h ARG 208 Cb 0.99 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2br3 h ARG 208 CO 0.10 0.05 -0.16 -0.25 0.10 0.00 0.00 179.97 179.80 2br3 n ASP 209 N -4.51 0.42 0.00 0.08 8.00 -1.26 -4.36 116.55 114.92 2br3 n ASP 209 Ca -0.00 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.15 2br3 n ASP 209 Cb 0.17 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2br3 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br3 n VAL 210 N -1.12 0.00 -4.36 2.53 0.24 -0.65 -5.09 118.33 109.88 2br3 n VAL 210 Ca 0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.23 2br3 n VAL 210 Cb 0.30 -0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 31.84 2br3 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br3 s LEU 211 N -3.90 2.54 0.00 1.34 1.43 -0.39 -4.51 118.68 115.19 2br3 s LEU 211 Ca 0.00 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 2br3 s LEU 211 Cb 0.00 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.56 2br3 s LEU 211 CO 0.00 -0.19 0.25 -0.94 0.23 0.00 0.00 176.35 175.70 2br3 s SER 212 N -3.33 -0.10 -0.12 2.29 1.04 -0.99 -4.54 113.70 107.94 2br3 s SER 212 Ca 0.23 -0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 2br3 s SER 212 Cb -0.00 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2br3 s SER 212 CO 0.08 -0.45 1.00 -0.32 0.98 0.00 0.00 173.24 174.52 2br3 s MET 213 N -1.58 4.40 -0.52 4.02 1.75 -1.26 -1.60 119.30 124.50 2br3 s MET 213 Ca -0.12 1.37 -0.27 0.00 -1.25 0.00 0.00 55.69 55.43 2br3 s MET 213 Cb -0.05 -3.55 0.03 0.00 2.84 0.00 0.00 34.83 34.10 2br3 s MET 213 CO 0.02 -0.35 1.06 0.34 -0.65 0.00 0.00 175.02 175.44 2br3 s ASP 214 N 1.11 6.47 0.00 1.11 -1.08 -0.57 -4.90 116.67 118.81 2br3 s ASP 214 Ca 0.48 0.07 0.25 0.00 -0.52 0.00 0.00 52.55 52.82 2br3 s ASP 214 Cb -0.18 -2.50 1.08 0.00 -1.46 0.00 0.00 42.92 39.86 2br3 s ASP 214 CO 0.17 -1.27 1.81 0.23 0.52 0.00 0.00 175.17 176.62 2br3 n MET 215 N 7.78 0.00 0.14 4.34 2.81 -1.26 -1.39 117.12 129.54 2br3 n MET 215 Ca 0.07 0.06 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 2br3 n MET 215 Cb 0.48 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.65 2br3 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br3 h LEU 216 N 0.00 0.00 0.00 4.03 5.85 -1.98 -3.37 115.31 119.84 2br3 h LEU 216 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2br3 h LEU 216 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2br3 h LEU 216 CO 0.00 0.59 -0.98 -1.22 -0.34 0.00 0.00 178.44 176.49 2br3 n TYR 217 N -3.55 0.00 0.70 1.25 0.53 -1.15 -4.78 117.16 110.16 2br3 n TYR 217 Ca -0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.99 2br3 n TYR 217 Cb 0.65 -0.10 0.47 0.00 -1.03 0.00 0.00 39.34 39.34 2br3 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br3 n ALA 218 N -1.54 2.03 -1.00 -0.72 0.00 -0.49 -2.52 120.51 116.27 2br3 n ALA 218 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2br3 n ALA 218 Cb 0.14 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.33 2br3 n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2br3 n ASN 219 N -1.74 2.31 -0.47 0.00 3.02 -1.26 -1.32 115.26 115.80 2br3 n ASN 219 Ca 0.05 -3.00 0.10 0.00 -0.03 0.00 0.00 54.58 51.70 2br3 n ASN 219 Cb 0.29 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 2br3 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br3 n ALA 220 N -1.36 3.44 -3.57 5.41 0.00 -1.05 -4.93 120.51 118.45 2br3 n ALA 220 Ca 0.15 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2br3 n ALA 220 Cb 0.61 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 2br3 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2br3 s SER 221 N -2.30 -0.70 0.40 0.00 0.15 -1.26 -4.79 113.70 105.18 2br3 s SER 221 Ca 0.17 1.33 0.20 0.00 0.70 0.00 0.00 55.95 58.35 2br3 s SER 221 Cb 0.17 1.34 0.78 0.00 -1.71 0.00 0.00 66.02 66.59 2br3 s SER 221 CO 0.52 -0.23 1.78 0.77 1.20 0.00 0.00 173.24 177.28 2br3 h SER 222 N 5.30 0.00 0.64 5.45 4.64 -1.95 -2.15 113.55 125.49 2br3 h SER 222 Ca -0.29 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.85 2br3 h SER 222 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2br3 h SER 222 CO 0.10 0.33 -0.81 1.56 -0.87 0.00 0.00 176.83 177.14 2br3 h GLN 223 N 0.00 0.12 -0.67 4.77 4.20 -1.96 -3.19 115.11 118.37 2br3 h GLN 223 Ca -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2br3 h GLN 223 Cb 0.82 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2br3 h GLN 223 CO 0.04 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.34 2br3 n LEU 224 N -3.66 4.16 -4.51 1.46 4.77 -1.07 -0.73 117.00 117.41 2br3 n LEU 224 Ca -0.02 -2.09 -0.47 0.00 -0.03 0.00 0.00 56.01 53.40 2br3 n LEU 224 Cb 0.76 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2br3 n LEU 224 CO 0.46 0.84 1.85 -0.67 -1.33 0.00 0.00 177.39 178.54 2br3 n ASP 225 N 1.29 2.50 -2.30 -1.43 2.03 -0.83 -1.72 116.55 116.09 2br3 n ASP 225 Ca 0.24 0.26 -0.20 0.00 0.52 0.00 0.00 54.79 55.61 2br3 n ASP 225 Cb 0.73 -1.39 -0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2br3 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br3 n ARG 226 N 8.48 -2.00 -0.04 -0.67 1.74 -0.43 -4.53 116.66 119.20 2br3 n ARG 226 Ca 0.38 0.93 0.01 0.00 -0.77 0.00 0.00 57.85 58.39 2br3 n ARG 226 Cb 0.33 -5.53 0.01 0.00 -1.02 0.00 0.00 32.46 26.25 2br3 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 227 N -1.09 1.00 3.36 -0.13 0.00 -0.70 -4.94 105.19 102.69 2br3 n GLY 227 Ca -0.21 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 2br3 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br3 s VAL 228 N -0.78 4.97 0.18 1.61 1.01 -1.25 -1.06 120.40 125.07 2br3 s VAL 228 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2br3 s VAL 228 Cb 0.03 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2br3 s VAL 228 CO 0.00 -0.99 0.05 -0.76 0.00 0.00 0.00 175.10 173.40 2br3 s LEU 229 N 2.30 3.46 0.15 3.92 1.43 -0.85 -1.51 118.68 127.59 2br3 s LEU 229 Ca 0.09 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2br3 s LEU 229 Cb -0.25 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2br3 s LEU 229 CO 0.06 0.07 0.35 0.00 0.23 0.00 0.00 176.35 177.05 2br3 s ARG 230 N -3.11 1.15 0.00 1.70 1.70 -0.63 -1.14 118.95 118.62 2br3 s ARG 230 Ca 0.29 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 2br3 s ARG 230 Cb -0.09 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 2br3 s ARG 230 CO 0.20 -0.44 0.00 2.89 -1.08 0.00 0.00 175.30 176.88