#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br3 h ASP 3 N 0.00 0.00 -0.51 6.41 3.45 -2.03 -2.98 116.42 120.75 2br3 h ASP 3 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 2br3 h ASP 3 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2br3 h ASP 3 CO 0.00 0.16 0.21 0.10 -1.57 0.00 0.00 179.24 178.13 2br3 h TYR 4 N 0.00 0.82 0.00 4.55 -0.00 -2.06 -3.06 116.97 117.22 2br3 h TYR 4 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 58.73 58.68 2br3 h TYR 4 Cb 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 36.73 36.94 2br3 h TYR 4 CO 0.00 0.65 0.00 1.03 -0.00 0.00 0.00 178.16 179.84 2br3 h SER 5 N 0.80 0.00 0.00 0.10 0.87 -2.03 -2.35 113.55 110.95 2br3 h SER 5 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2br3 h SER 5 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2br3 h SER 5 CO -0.01 0.00 -0.77 -2.11 -0.53 0.00 0.00 176.83 173.41 2br3 n ARG 6 N -2.96 2.70 -2.38 2.24 1.85 -1.23 -5.04 116.66 111.84 2br3 n ARG 6 Ca -0.01 -0.03 -0.40 0.00 -1.00 0.00 0.00 57.85 56.41 2br3 n ARG 6 Cb 0.17 -0.97 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 2br3 n ARG 6 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2br3 s GLN 7 N -2.01 4.45 -0.22 2.89 0.74 -0.88 -5.05 119.66 119.58 2br3 s GLN 7 Ca 0.00 1.87 -0.07 0.00 0.05 0.00 0.00 55.36 57.21 2br3 s GLN 7 Cb 0.05 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 2br3 s GLN 7 CO 0.27 0.02 0.06 1.21 -0.55 0.00 0.00 175.29 176.30 2br3 s ASN 8 N -0.90 5.29 -0.15 6.67 3.04 -1.26 -4.98 114.94 122.65 2br3 s ASN 8 Ca 0.48 -0.10 -0.07 0.00 0.04 0.00 0.00 52.86 53.21 2br3 s ASN 8 Cb -0.32 -1.93 -0.04 0.00 -1.54 0.00 0.00 41.25 37.41 2br3 s ASN 8 CO 0.42 0.05 0.10 -0.36 -3.04 0.00 0.00 177.10 174.27 2br3 s PHE 9 N 1.12 3.41 0.61 0.43 0.40 -1.26 -5.09 117.98 117.60 2br3 s PHE 9 Ca 0.04 0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.56 2br3 s PHE 9 Cb -0.14 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2br3 s PHE 9 CO 0.03 0.46 1.05 -0.51 0.70 0.00 0.00 175.22 176.95 2br3 s LEU 10 N -0.37 3.44 -0.34 -0.37 1.43 -1.26 -4.99 118.68 116.23 2br3 s LEU 10 Ca 0.10 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 2br3 s LEU 10 Cb -0.12 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.58 2br3 s LEU 10 CO 0.01 -1.16 1.36 -0.62 0.23 0.00 0.00 176.35 176.18 2br3 s ASP 11 N -3.03 6.53 0.08 2.29 -1.08 -1.26 -4.89 116.67 115.32 2br3 s ASP 11 Ca 0.62 1.09 0.13 0.00 -0.52 0.00 0.00 52.55 53.86 2br3 s ASP 11 Cb -0.15 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.34 2br3 s ASP 11 CO 0.40 -1.22 1.39 0.18 0.52 0.00 0.00 175.17 176.44 2br3 n LEU 12 N 8.10 0.18 0.27 -1.34 4.32 -1.26 -2.20 117.00 125.08 2br3 n LEU 12 Ca 0.16 0.56 0.18 0.00 -0.02 0.00 0.00 56.01 56.89 2br3 n LEU 12 Cb 0.47 -0.55 0.91 0.00 -1.62 0.00 0.00 43.42 42.63 2br3 n LEU 12 CO 0.66 -0.46 1.04 0.78 -1.22 0.00 0.00 177.39 178.19 2br3 h ASN 13 N 0.00 0.00 -0.16 -1.43 -0.26 -2.02 -2.62 115.58 109.10 2br3 h ASN 13 Ca 0.00 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 2br3 h ASN 13 Cb 0.17 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 2br3 h ASN 13 CO 0.00 0.00 0.23 -0.07 -1.06 0.00 0.00 177.43 176.53 2br3 h LEU 14 N 0.00 0.00 -3.36 1.61 3.38 -1.86 -2.35 115.31 112.73 2br3 h LEU 14 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2br3 h LEU 14 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2br3 h LEU 14 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2br3 n PHE 15 N -3.56 1.31 -1.84 1.13 3.01 -0.99 -4.93 117.46 111.59 2br3 n PHE 15 Ca 0.01 -0.84 -0.43 0.00 1.01 0.00 0.00 57.45 57.20 2br3 n PHE 15 Cb 0.34 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 2br3 n PHE 15 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2br3 s ARG 16 N -2.82 3.24 -0.06 -1.08 1.81 -0.89 -2.01 118.95 117.14 2br3 s ARG 16 Ca 0.46 1.68 0.00 0.00 -1.72 0.00 0.00 55.73 56.15 2br3 s ARG 16 Cb 0.37 -4.27 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 2br3 s ARG 16 CO 0.11 -1.97 0.00 0.41 -0.68 0.00 0.00 175.30 173.17 2br3 n GLY 17 N 5.57 0.41 0.37 -3.53 0.00 -1.26 -4.83 105.19 101.91 2br3 n GLY 17 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.07 1.90 0.00 0.99 4.77 -0.85 -5.12 117.00 118.62 2br3 n LEU 18 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2br3 n LEU 18 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2br3 n LEU 18 CO 0.01 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2br3 n GLY 19 N 3.28 -3.68 0.09 -0.72 0.00 -1.08 -4.85 105.19 98.23 2br3 n GLY 19 Ca -0.01 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 2br3 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2br3 n GLU 20 N -0.01 0.66 -4.32 1.61 1.02 -1.26 -4.64 120.64 113.69 2br3 n GLU 20 Ca 0.00 0.27 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 2br3 n GLU 20 Cb 0.00 -1.75 -0.17 0.00 -0.02 0.00 0.00 31.44 29.50 2br3 n GLU 20 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2br3 s ASP 21 N -6.20 2.15 0.56 1.62 3.68 -1.26 -5.03 116.67 112.18 2br3 s ASP 21 Ca -0.08 -0.35 0.34 0.00 2.13 0.00 0.00 52.55 54.58 2br3 s ASP 21 Cb 0.08 -0.93 1.55 0.00 -1.45 0.00 0.00 42.92 42.16 2br3 s ASP 21 CO 0.81 -0.02 2.06 -0.65 0.13 0.00 0.00 175.17 177.51 2br3 h PRO 22 N 7.51 0.00 -6.60 4.34 0.11 -1.90 -3.44 132.00 132.02 2br3 h PRO 22 Ca -0.31 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.29 2br3 h PRO 22 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2br3 h PRO 22 CO 0.46 0.05 0.08 0.00 -0.21 0.00 0.00 178.00 178.38 2br3 s ALA 23 N -3.86 3.40 0.28 -0.75 0.00 -1.26 -4.53 121.76 115.03 2br3 s ALA 23 Ca -0.01 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2br3 s ALA 23 Cb 0.11 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 2br3 s ALA 23 CO 0.53 0.35 1.05 -0.47 0.00 0.00 0.00 175.76 177.22 2br3 s TYR 24 N -1.70 3.67 -0.07 0.00 5.04 -1.26 -4.94 117.35 118.10 2br3 s TYR 24 Ca 0.47 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.86 2br3 s TYR 24 Cb -0.14 -3.19 0.02 0.00 0.35 0.00 0.00 41.96 39.01 2br3 s TYR 24 CO 0.20 -0.27 -0.04 -1.01 -1.34 0.00 0.00 175.55 173.08 2br3 s HIS 25 N -1.21 0.91 0.24 4.97 3.76 -1.26 -5.03 115.29 117.68 2br3 s HIS 25 Ca 0.45 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.74 2br3 s HIS 25 Cb -0.29 -0.85 -0.15 0.00 1.11 0.00 0.00 32.58 32.40 2br3 s HIS 25 CO 0.37 -0.30 0.96 -2.30 -0.85 0.00 0.00 174.74 172.62 2br3 n PRO 26 N 4.56 1.03 -1.23 8.40 -0.02 -1.26 -4.89 135.00 141.60 2br3 n PRO 26 Ca -0.16 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 2br3 n PRO 26 Cb 0.50 -1.70 0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2br3 n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2br3 n PRO 27 N 1.04 0.32 -4.56 0.52 -0.02 -1.26 -5.02 135.00 126.02 2br3 n PRO 27 Ca 0.13 0.17 -0.26 0.00 -2.02 0.00 0.00 63.50 61.51 2br3 n PRO 27 Cb 0.28 -2.17 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.96 1.27 0.14 -1.45 1.01 -1.26 -5.12 120.40 113.03 2br3 s VAL 28 Ca 0.70 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2br3 s VAL 28 Cb -0.32 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2br3 s VAL 28 CO 0.53 0.39 1.02 -0.76 0.00 0.00 0.00 175.10 176.28 2br3 s LEU 29 N 0.79 4.50 -0.13 3.92 1.02 -1.26 -4.82 118.68 122.69 2br3 s LEU 29 Ca -0.12 1.92 -0.08 0.00 0.02 0.00 0.00 54.13 55.87 2br3 s LEU 29 Cb -0.16 -3.59 -0.06 0.00 0.02 0.00 0.00 46.19 42.40 2br3 s LEU 29 CO 0.02 -0.13 -0.20 0.35 0.02 0.00 0.00 176.35 176.41 2br3 n THR 30 N 2.63 0.97 -0.96 5.49 -2.24 -1.26 -4.76 114.28 114.14 2br3 n THR 30 Ca 0.03 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 2br3 n THR 30 Cb 0.48 -1.78 0.29 0.00 -2.10 0.00 0.00 70.33 67.22 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 -3.77 4.71 -3.49 3.42 5.68 -1.26 -4.97 116.55 116.87 2br3 n ASP 31 Ca -0.25 -3.19 -0.10 0.00 -0.50 0.00 0.00 54.79 50.74 2br3 n ASP 31 Cb 0.62 -0.75 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 2br3 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2br3 s ARG 32 N -2.91 0.92 0.66 0.11 1.70 -1.26 -5.13 118.95 113.05 2br3 s ARG 32 Ca 0.53 -0.23 -0.14 0.00 -0.47 0.00 0.00 55.73 55.42 2br3 s ARG 32 Cb 0.43 0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 35.23 2br3 s ARG 32 CO 0.13 -0.38 1.09 -1.25 -1.08 0.00 0.00 175.30 173.81 2br3 s PRO 33 N -2.84 2.86 0.14 3.89 0.04 -1.26 -4.88 135.00 132.95 2br3 s PRO 33 Ca 0.02 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2br3 s PRO 33 Cb -0.01 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2br3 s PRO 33 CO -0.07 -1.18 1.32 -0.09 0.04 0.00 0.00 177.00 177.01 2br3 h ARG 34 N -0.11 0.31 -4.66 4.56 2.43 -2.01 -3.42 114.38 111.47 2br3 h ARG 34 Ca -0.46 -0.35 -0.69 0.00 -0.81 0.00 0.00 59.98 57.67 2br3 h ARG 34 Cb 1.23 0.10 -0.20 0.00 -0.42 0.00 0.00 29.97 30.69 2br3 h ARG 34 CO 0.55 1.05 -0.48 -0.51 -1.51 0.00 0.00 179.97 179.07 2br3 s ASP 35 N -7.02 5.99 -0.14 -3.80 1.01 -1.26 -5.07 116.67 106.37 2br3 s ASP 35 Ca -0.04 -0.59 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 2br3 s ASP 35 Cb 0.09 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 2br3 s ASP 35 CO 0.85 -0.29 0.20 0.86 0.21 0.00 0.00 175.17 177.01 2br3 s TRP 36 N 1.69 3.52 0.11 4.23 -0.11 -1.26 -5.05 118.94 122.06 2br3 s TRP 36 Ca 0.05 0.53 -0.31 0.00 1.22 0.00 0.00 56.10 57.59 2br3 s TRP 36 Cb -0.18 -2.15 -0.09 0.00 -1.50 0.00 0.00 33.47 29.55 2br3 s TRP 36 CO 0.10 0.45 1.58 -2.14 -4.62 0.00 0.00 176.95 172.32 2br3 s PRO 37 N -0.20 4.22 0.30 5.86 0.02 -1.26 -4.89 135.00 139.05 2br3 s PRO 37 Ca 0.14 2.29 0.26 0.00 0.02 0.00 0.00 61.00 63.71 2br3 s PRO 37 Cb -0.12 -3.39 0.90 0.00 0.02 0.00 0.00 34.50 31.90 2br3 s PRO 37 CO 0.03 -0.64 1.76 -0.07 -0.33 0.00 0.00 177.00 177.75 2br3 h LEU 38 N 7.69 0.00 -0.45 -5.54 4.07 -1.97 -2.33 115.31 116.78 2br3 h LEU 38 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2br3 h LEU 38 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2br3 h LEU 38 CO 0.92 0.00 0.00 -2.24 -1.08 0.00 0.00 178.44 176.04 2br3 h ASP 39 N 0.00 0.00 -0.34 -0.43 2.03 -2.06 -3.04 116.42 112.58 2br3 h ASP 39 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2br3 h ASP 39 Cb 0.59 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.01 2br3 h ASP 39 CO 0.00 0.00 -0.01 0.54 -1.03 0.00 0.00 179.24 178.74 2br3 n ARG 40 N -2.90 2.23 -0.28 4.15 1.74 -0.90 -4.84 116.66 115.87 2br3 n ARG 40 Ca 0.03 -3.04 0.07 0.00 -0.77 0.00 0.00 57.85 54.14 2br3 n ARG 40 Cb 0.43 -1.84 0.22 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.27 0.60 0.00 -1.55 7.01 -1.39 -1.23 115.95 120.66 2br3 h TRP 41 Ca 0.16 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 2br3 h TRP 41 Cb 1.63 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 28.55 2br3 h TRP 41 CO 0.85 0.07 -0.05 0.00 -2.79 0.00 0.00 178.44 176.52 2br3 h ALA 42 N 1.58 1.30 -0.00 2.65 0.00 -1.88 -2.64 119.26 120.28 2br3 h ALA 42 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2br3 h ALA 42 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2br3 h ALA 42 CO -0.42 0.06 -0.04 0.39 0.00 0.00 0.00 179.25 179.24 2br3 n GLU 43 N -3.58 0.13 -2.36 0.00 1.02 -0.47 -4.94 120.64 110.44 2br3 n GLU 43 Ca -0.02 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 2br3 n GLU 43 Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.88 3.44 0.47 0.62 0.00 -1.00 -4.95 121.76 117.47 2br3 s ALA 44 Ca 0.18 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 2br3 s ALA 44 Cb 0.19 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2br3 s ALA 44 CO 0.53 -0.38 1.38 -1.25 0.00 0.00 0.00 175.76 176.04 2br3 s PRO 45 N -0.44 3.58 0.00 0.00 0.04 -1.26 -4.94 135.00 131.99 2br3 s PRO 45 Ca 0.52 2.31 0.22 0.00 0.04 0.00 0.00 61.00 64.09 2br3 s PRO 45 Cb -0.33 -2.55 -0.21 0.00 0.04 0.00 0.00 34.50 31.45 2br3 s PRO 45 CO 0.38 -0.87 0.76 0.54 0.04 0.00 0.00 177.00 177.85 2br3 n ARG 46 N -0.39 0.36 -1.68 4.56 5.12 -1.26 -4.97 116.66 118.40 2br3 n ARG 46 Ca 0.06 -0.08 -0.29 0.00 -1.93 0.00 0.00 57.85 55.61 2br3 n ARG 46 Cb 0.43 -1.54 0.13 0.00 -1.16 0.00 0.00 32.46 30.32 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 -3.91 3.73 0.19 0.55 1.47 -1.26 -4.98 116.67 112.46 2br3 s ASP 47 Ca 0.00 0.83 -0.12 0.00 1.18 0.00 0.00 52.55 54.44 2br3 s ASP 47 Cb 0.15 -1.31 0.11 0.00 -0.34 0.00 0.00 42.92 41.52 2br3 s ASP 47 CO 0.87 -2.40 1.82 0.25 0.68 0.00 0.00 175.17 176.39 2br3 h LEU 48 N -1.39 0.80 0.00 2.11 5.85 -2.03 -3.47 115.31 117.18 2br3 h LEU 48 Ca -0.48 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2br3 h LEU 48 Cb 1.32 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2br3 h LEU 48 CO 0.60 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.96 2br3 n GLY 49 N -1.11 2.76 3.38 3.75 0.00 -1.26 -5.04 105.19 107.66 2br3 n GLY 49 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.55 1.71 0.20 1.61 -0.85 -1.26 -4.47 117.35 111.74 2br3 s TYR 50 Ca 0.00 -1.44 -0.30 0.00 -0.52 0.00 0.00 57.07 54.81 2br3 s TYR 50 Cb 0.00 -0.91 -0.08 0.00 0.38 0.00 0.00 41.96 41.35 2br3 s TYR 50 CO 0.00 -0.57 1.24 0.45 -1.52 0.00 0.00 175.55 175.15 2br3 s SER 51 N -3.45 7.01 -0.19 -0.18 0.15 -1.26 -4.93 113.70 110.85 2br3 s SER 51 Ca 0.33 2.31 0.09 0.00 0.70 0.00 0.00 55.95 59.39 2br3 s SER 51 Cb 0.03 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.29 2br3 s SER 51 CO 0.20 -0.43 1.41 -0.90 1.20 0.00 0.00 173.24 174.71 2br3 n ASP 52 N 2.45 4.21 0.00 5.45 5.75 -1.26 -4.67 116.55 128.49 2br3 n ASP 52 Ca 0.05 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 2br3 n ASP 52 Cb 0.44 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.30 0.00 -3.22 2.11 -0.00 -1.26 -4.60 117.46 110.78 2br3 n PHE 53 Ca 0.22 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.45 2br3 n PHE 53 Cb 0.97 -0.50 -0.07 0.00 -0.00 0.00 0.00 39.48 39.88 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 -1.99 -0.98 -1.80 -2.13 2.88 -1.26 -4.99 113.62 103.36 2br3 n SER 54 Ca 0.00 -2.56 -0.06 0.00 -1.33 0.00 0.00 58.87 54.92 2br3 n SER 54 Cb 0.00 -0.08 0.25 0.00 -0.75 0.00 0.00 64.21 63.63 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 2.55 3.19 -4.08 -1.46 -0.04 -1.26 -4.97 135.00 128.93 2br3 n PRO 55 Ca 0.25 -2.50 -0.29 0.00 -0.04 0.00 0.00 63.50 60.93 2br3 n PRO 55 Cb 0.51 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.53 3.13 0.15 0.54 1.51 -1.26 -5.00 117.35 113.89 2br3 s TYR 56 Ca 0.45 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.42 2br3 s TYR 56 Cb 0.36 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 2br3 s TYR 56 CO 0.11 0.51 0.32 1.14 -1.11 0.00 0.00 175.55 176.53 2br3 s GLN 57 N -2.66 1.13 -0.25 -0.62 -2.07 -1.26 -0.78 119.66 113.15 2br3 s GLN 57 Ca 0.29 -1.04 -0.04 0.00 -1.82 0.00 0.00 55.36 52.76 2br3 s GLN 57 Cb -0.11 0.41 0.09 0.00 -1.09 0.00 0.00 33.01 32.30 2br3 s GLN 57 CO 0.22 -0.42 0.13 -0.46 -1.32 0.00 0.00 175.29 173.44 2br3 s TRP 58 N -3.92 0.19 -1.05 9.60 -0.11 0.16 -4.77 118.94 119.05 2br3 s TRP 58 Ca 0.12 -0.58 -0.06 0.00 1.22 0.00 0.00 56.10 56.80 2br3 s TRP 58 Cb 0.03 -0.77 0.01 0.00 -1.50 0.00 0.00 33.47 31.23 2br3 s TRP 58 CO -0.04 -0.72 0.78 0.54 -4.62 0.00 0.00 176.95 172.89 2br3 n ARG 59 N 5.27 -5.37 -0.85 5.86 1.74 -1.26 -2.02 116.66 120.02 2br3 n ARG 59 Ca -0.06 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2br3 n ARG 59 Cb 0.45 -5.02 0.00 0.00 -1.02 0.00 0.00 32.46 26.87 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 -1.55 0.62 3.57 -0.13 0.00 -1.26 -5.05 105.19 101.39 2br3 n GLY 60 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.07 0.45 0.99 1.43 -0.86 -4.32 118.68 119.45 2br3 s LEU 61 Ca 0.00 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 2br3 s LEU 61 Cb 0.00 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 2br3 s LEU 61 CO 0.00 0.28 1.22 -0.13 0.23 0.00 0.00 176.35 177.95 2br3 s ARG 62 N -1.38 3.75 -0.18 1.70 0.52 -1.26 0.39 118.95 122.48 2br3 s ARG 62 Ca 0.16 1.92 -0.00 0.00 -0.52 0.00 0.00 55.73 57.29 2br3 s ARG 62 Cb -0.11 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.88 2br3 s ARG 62 CO 0.07 -0.60 -0.16 -1.64 0.02 0.00 0.00 175.30 172.98 2br3 s MET 63 N -2.58 3.11 0.00 3.54 -1.94 0.04 -3.94 119.30 117.52 2br3 s MET 63 Ca 0.63 -0.78 0.26 0.00 -1.71 0.00 0.00 55.69 54.09 2br3 s MET 63 Cb -0.32 -2.67 0.68 0.00 2.01 0.00 0.00 34.83 34.53 2br3 s MET 63 CO 0.40 -0.17 1.52 1.28 -0.01 0.00 0.00 175.02 178.04 2br3 n LEU 64 N 4.57 0.78 -4.63 -0.03 4.77 -1.26 -4.28 117.00 116.91 2br3 n LEU 64 Ca -0.20 -0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.26 2br3 n LEU 64 Cb 0.50 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2br3 n LEU 64 CO 0.27 0.16 -0.05 -0.54 -1.33 0.00 0.00 177.39 175.90 2br3 s LYS 65 N -2.71 4.05 0.78 3.23 1.02 -1.26 -5.08 119.74 119.77 2br3 s LYS 65 Ca 0.19 -0.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.97 2br3 s LYS 65 Cb 0.19 -3.60 0.06 0.00 -0.52 0.00 0.00 37.83 33.96 2br3 s LYS 65 CO 0.59 -0.11 1.15 0.16 -0.92 0.00 0.00 175.35 176.22 2br3 s ASP 66 N 1.38 4.79 0.49 2.83 3.84 -1.26 -4.72 116.67 124.02 2br3 s ASP 66 Ca 0.12 0.90 0.25 0.00 -0.00 0.00 0.00 52.55 53.81 2br3 s ASP 66 Cb -0.15 -1.49 1.31 0.00 -1.38 0.00 0.00 42.92 41.21 2br3 s ASP 66 CO 0.08 -1.74 1.91 -0.65 -0.00 0.00 0.00 175.17 174.78 2br3 h PRO 67 N -0.94 0.14 -0.25 2.11 0.11 -1.98 -0.91 132.00 130.28 2br3 h PRO 67 Ca -0.46 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 2br3 h PRO 67 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2br3 h PRO 67 CO 0.65 0.09 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.51 2br3 h ASP 68 N 0.15 0.91 -0.57 -2.05 3.45 -1.92 -1.31 116.42 115.08 2br3 h ASP 68 Ca 0.38 -0.50 -0.06 0.00 0.43 0.00 0.00 57.03 57.28 2br3 h ASP 68 Cb 1.29 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.77 2br3 h ASP 68 CO -0.06 1.29 0.13 0.74 -1.57 0.00 0.00 179.24 179.77 2br3 h THR 69 N 0.61 1.24 -0.17 0.35 2.02 -1.52 -2.49 112.91 112.95 2br3 h THR 69 Ca 0.00 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 2br3 h THR 69 Cb 1.19 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2br3 h THR 69 CO 0.13 0.34 -0.19 1.56 0.37 0.00 0.00 175.52 177.72 2br3 h GLN 70 N 0.91 0.30 -0.25 6.66 4.20 -1.00 -1.65 115.11 124.27 2br3 h GLN 70 Ca 0.19 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 2br3 h GLN 70 Cb 0.35 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2br3 h GLN 70 CO 0.00 0.49 -0.53 0.00 -0.67 0.00 0.00 178.83 178.12 2br3 h ALA 71 N 1.53 0.60 0.01 3.87 0.00 -1.01 -2.15 119.26 122.11 2br3 h ALA 71 Ca 0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2br3 h ALA 71 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2br3 h ALA 71 CO 0.03 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.24 2br3 h VAL 72 N 0.56 1.30 -0.10 0.00 2.07 -1.17 -2.50 116.25 116.41 2br3 h VAL 72 Ca 0.02 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2br3 h VAL 72 Cb 1.10 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 2br3 h VAL 72 CO 0.11 0.25 -0.07 1.88 0.02 0.00 0.00 177.57 179.76 2br3 h TYR 73 N -0.43 0.14 0.32 1.57 0.99 -1.37 -1.07 116.97 117.12 2br3 h TYR 73 Ca -0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2br3 h TYR 73 Cb 0.42 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.11 2br3 h TYR 73 CO 0.07 0.22 -0.15 1.25 -0.00 0.00 0.00 178.16 179.54 2br3 h HIS 74 N 0.14 -0.40 -1.00 4.88 2.76 -1.29 -0.60 115.15 119.64 2br3 h HIS 74 Ca 0.03 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2br3 h HIS 74 Cb 0.22 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 2br3 h HIS 74 CO 0.00 -0.24 0.66 -0.44 -1.30 0.00 0.00 177.93 176.62 2br3 h ASP 75 N -0.44 1.15 -0.53 3.26 3.32 -0.89 -0.92 116.42 121.37 2br3 h ASP 75 Ca -0.04 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2br3 h ASP 75 Cb 0.34 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2br3 h ASP 75 CO 0.07 0.83 0.09 -0.03 -1.72 0.00 0.00 179.24 178.48 2br3 h MET 76 N 1.36 0.88 -0.20 3.56 4.05 -1.11 -1.09 114.93 122.39 2br3 h MET 76 Ca 0.37 -0.24 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2br3 h MET 76 Cb -0.16 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 2br3 h MET 76 CO -0.08 0.86 -0.00 -0.07 0.23 0.00 0.00 176.91 177.85 2br3 h LEU 77 N 0.77 0.35 -1.54 3.39 4.07 -0.75 -1.46 115.31 120.14 2br3 h LEU 77 Ca 0.16 -0.31 0.04 0.00 0.08 0.00 0.00 57.88 57.85 2br3 h LEU 77 Cb 0.41 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 2br3 h LEU 77 CO 0.01 0.57 0.36 -0.25 -1.08 0.00 0.00 178.44 178.05 2br3 h TRP 78 N 0.11 0.58 0.08 1.13 2.91 -1.01 0.29 115.95 120.05 2br3 h TRP 78 Ca 0.06 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 2br3 h TRP 78 Cb 0.40 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 2br3 h TRP 78 CO 0.03 0.34 -0.04 1.49 -1.03 0.00 0.00 178.44 179.23 2br3 h GLU 79 N 0.60 -0.10 -0.01 2.65 4.81 -1.04 -3.38 114.58 118.10 2br3 h GLU 79 Ca 0.22 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 2br3 h GLU 79 Cb 0.12 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2br3 h GLU 79 CO -0.06 0.24 -0.93 1.25 -0.73 0.00 0.00 179.01 178.78 2br3 h LEU 80 N -0.99 0.59 -3.04 1.64 6.46 -1.28 -3.48 115.31 115.21 2br3 h LEU 80 Ca -0.01 -0.46 -0.29 0.00 -0.12 0.00 0.00 57.88 56.99 2br3 h LEU 80 Cb 0.40 -0.18 0.04 0.00 -0.73 0.00 0.00 40.66 40.19 2br3 h LEU 80 CO 0.02 1.26 -0.66 0.54 -0.62 0.00 0.00 178.44 178.97 2br3 n ARG 81 N -3.77 -1.39 -2.58 1.25 1.74 0.09 -4.83 116.66 107.17 2br3 n ARG 81 Ca -0.07 0.91 -0.40 0.00 -0.77 0.00 0.00 57.85 57.52 2br3 n ARG 81 Cb 0.83 -4.27 -0.05 0.00 -1.02 0.00 0.00 32.46 27.95 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 -4.61 4.71 0.15 5.56 0.04 -1.26 -4.62 135.00 134.97 2br3 s PRO 82 Ca 0.19 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.18 2br3 s PRO 82 Cb -0.06 -3.23 0.89 0.00 0.04 0.00 0.00 34.50 32.14 2br3 s PRO 82 CO 0.83 0.30 1.79 0.54 0.04 0.00 0.00 177.00 180.50 2br3 n ARG 83 N 1.45 0.20 -3.76 4.56 5.12 -0.33 -4.58 116.66 119.32 2br3 n ARG 83 Ca -0.01 0.15 -0.13 0.00 -1.93 0.00 0.00 57.85 55.94 2br3 n ARG 83 Cb 0.46 -1.72 -0.13 0.00 -1.16 0.00 0.00 32.46 29.90 2br3 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2br3 s THR 84 N -3.08 -0.03 -0.16 0.55 2.01 -1.10 -1.71 115.64 112.12 2br3 s THR 84 Ca 0.11 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2br3 s THR 84 Cb 0.14 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.38 2br3 s THR 84 CO 0.59 0.04 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.89 2br3 s ILE 85 N 0.87 1.03 0.14 1.82 1.01 -0.59 -1.09 121.20 124.39 2br3 s ILE 85 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2br3 s ILE 85 Cb -0.08 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 2br3 s ILE 85 CO -0.05 0.11 0.30 -0.69 0.00 0.00 0.00 174.94 174.61 2br3 s VAL 86 N 1.67 5.29 -0.24 2.92 1.01 0.41 -1.84 120.40 129.62 2br3 s VAL 86 Ca 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2br3 s VAL 86 Cb -0.15 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.64 2br3 s VAL 86 CO -0.08 -0.03 0.22 -1.61 0.00 0.00 0.00 175.10 173.60 2br3 s GLU 87 N -2.99 0.22 -0.37 2.72 0.41 -0.45 -1.70 118.70 116.54 2br3 s GLU 87 Ca 0.36 -0.02 -0.28 0.00 -0.41 0.00 0.00 54.97 54.62 2br3 s GLU 87 Cb -0.12 -1.11 0.02 0.00 -1.78 0.00 0.00 34.13 31.15 2br3 s GLU 87 CO 0.28 -0.81 1.04 -0.51 -0.49 0.00 0.00 175.26 174.77 2br3 s LEU 88 N 2.29 3.89 0.00 1.80 1.43 -0.47 -1.81 118.68 125.80 2br3 s LEU 88 Ca 0.07 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2br3 s LEU 88 Cb -0.15 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2br3 s LEU 88 CO -0.21 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.03 2br3 n GLY 89 N 4.24 1.12 0.45 -3.19 0.00 -0.66 -0.35 105.19 106.80 2br3 n GLY 89 Ca 0.10 -0.98 -0.19 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 2.34 0.96 0.00 1.61 0.31 -1.26 -4.80 118.33 117.49 2br3 n VAL 90 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2br3 n VAL 90 Cb 0.00 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 -3.76 0.00 0.39 3.52 9.36 -1.26 -2.31 117.16 123.10 2br3 n TYR 91 Ca -0.34 0.00 0.12 0.00 3.32 0.00 0.00 57.90 60.99 2br3 n TYR 91 Cb 0.75 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.52 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 8.84 0.72 0.00 2.98 2.04 -1.26 -3.13 115.26 125.44 2br3 n ASN 92 Ca 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 54.58 54.25 2br3 n ASN 92 Cb 0.00 0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.70 2br3 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2br3 n GLY 93 N 1.29 0.75 0.27 4.83 0.00 -0.98 -1.37 105.19 109.97 2br3 n GLY 93 Ca 0.02 0.00 0.11 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 0.00 0.76 -0.02 0.00 -1.84 -1.88 103.07 100.09 2br3 h GLY 94 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2br3 h GLY 94 CO 0.00 0.00 -0.10 1.76 0.00 0.00 0.00 176.54 178.20 2br3 h SER 95 N 0.00 0.37 -0.37 0.19 0.02 -1.89 -1.83 113.55 110.03 2br3 h SER 95 Ca -0.00 -0.43 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2br3 h SER 95 Cb 0.10 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 2br3 h SER 95 CO 0.01 0.72 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.24 2br3 h LEU 96 N 0.02 -0.39 -0.58 5.07 4.07 -1.74 -0.81 115.31 120.95 2br3 h LEU 96 Ca 0.03 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 2br3 h LEU 96 Cb 0.59 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 2br3 h LEU 96 CO 0.03 -0.14 0.13 0.00 -1.08 0.00 0.00 178.44 177.38 2br3 h ALA 97 N 1.34 0.76 0.55 1.53 0.00 -1.40 -2.41 119.26 119.63 2br3 h ALA 97 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2br3 h ALA 97 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2br3 h ALA 97 CO -0.40 0.48 -0.27 2.35 0.00 0.00 0.00 179.25 181.42 2br3 h TRP 98 N 0.84 -0.69 -0.72 0.00 7.01 -0.76 0.47 115.95 122.10 2br3 h TRP 98 Ca 0.18 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.31 2br3 h TRP 98 Cb 0.37 0.23 -0.10 0.00 -2.10 0.00 0.00 29.16 27.55 2br3 h TRP 98 CO 0.03 -0.43 0.18 0.74 -2.79 0.00 0.00 178.44 176.17 2br3 h PHE 99 N -0.74 0.29 -0.07 2.65 -1.00 -1.15 -0.99 116.94 115.92 2br3 h PHE 99 Ca -0.07 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 2br3 h PHE 99 Cb 0.57 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 2br3 h PHE 99 CO -0.04 -0.06 0.04 -0.09 -1.61 0.00 0.00 178.31 176.55 2br3 h ARG 100 N 0.29 0.10 0.53 1.51 1.12 -0.93 -2.06 114.38 114.93 2br3 h ARG 100 Ca 0.40 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.23 2br3 h ARG 100 Cb 0.66 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 30.60 2br3 h ARG 100 CO -0.48 0.17 -0.25 -0.44 -3.11 0.00 0.00 179.97 175.86 2br3 h ASP 101 N 0.01 -0.60 -0.48 -3.80 3.32 -0.31 -1.90 116.42 112.66 2br3 h ASP 101 Ca 0.02 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.18 2br3 h ASP 101 Cb 0.10 0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 2br3 h ASP 101 CO -0.00 -0.41 -0.24 0.25 -1.72 0.00 0.00 179.24 177.11 2br3 h LEU 102 N -0.72 -0.83 -0.75 1.55 5.85 -1.21 -2.00 115.31 117.20 2br3 h LEU 102 Ca -0.07 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2br3 h LEU 102 Cb 0.55 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2br3 h LEU 102 CO 0.12 -0.26 0.45 0.71 -0.34 0.00 0.00 178.44 179.12 2br3 h THR 103 N -0.14 1.05 -0.66 1.05 1.35 -1.31 -2.21 112.91 112.03 2br3 h THR 103 Ca 0.22 -0.29 0.13 0.00 -0.55 0.00 0.00 66.41 65.92 2br3 h THR 103 Cb 0.49 0.12 -0.10 0.00 -1.73 0.00 0.00 68.15 66.92 2br3 h THR 103 CO -0.56 0.16 0.14 0.50 -0.25 0.00 0.00 175.52 175.51 2br3 h LYS 104 N 0.86 0.25 0.00 4.72 3.64 -0.61 -1.71 116.57 123.73 2br3 h LYS 104 Ca 0.32 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.52 2br3 h LYS 104 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2br3 h LYS 104 CO -0.15 0.17 -0.78 0.82 -2.27 0.00 0.00 179.45 177.23 2br3 h ILE 105 N 0.26 1.45 0.00 2.00 2.04 -1.08 -2.64 117.51 119.54 2br3 h ILE 105 Ca 0.36 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.43 2br3 h ILE 105 Cb 0.57 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2br3 h ILE 105 CO -0.46 0.77 0.00 0.23 0.00 0.00 0.00 178.15 178.69 2br3 n MET 106 N -3.45 0.35 -1.04 2.37 2.81 -0.86 -4.90 117.12 112.40 2br3 n MET 106 Ca 0.00 0.06 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2br3 n MET 106 Cb 0.80 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.80 2br3 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br3 n GLY 107 N 0.74 0.49 3.71 3.03 0.00 -0.80 -5.01 105.19 107.35 2br3 n GLY 107 Ca 0.11 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.91 4.89 -0.81 -0.61 1.01 -0.71 -5.00 121.20 118.06 2br3 s ILE 108 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 60.65 62.39 2br3 s ILE 108 Cb 0.00 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.24 2br3 s ILE 108 CO 0.00 0.17 1.24 -0.62 0.00 0.00 0.00 174.94 175.73 2br3 s ASP 109 N 0.97 6.29 0.03 3.58 -1.08 -1.26 -4.22 116.67 120.98 2br3 s ASP 109 Ca 0.50 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.64 2br3 s ASP 109 Cb -0.21 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 2br3 s ASP 109 CO 0.27 -1.59 -0.22 0.00 0.52 0.00 0.00 175.17 174.14 2br3 s GLN 111 N -1.21 3.78 -0.10 0.00 -1.52 -0.70 -4.89 119.66 115.03 2br3 s GLN 111 Ca 0.13 -0.45 -0.01 0.00 -1.95 0.00 0.00 55.36 53.08 2br3 s GLN 111 Cb -0.10 -3.09 -0.03 0.00 -0.22 0.00 0.00 33.01 29.57 2br3 s GLN 111 CO 0.03 0.18 -0.05 0.08 -0.25 0.00 0.00 175.29 175.28 2br3 s VAL 112 N 0.58 3.88 -0.09 1.09 1.01 -0.80 -1.53 120.40 124.53 2br3 s VAL 112 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2br3 s VAL 112 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2br3 s VAL 112 CO 0.02 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 175.00 2br3 s ILE 113 N -0.51 0.87 -0.35 2.22 1.01 -0.77 -1.69 121.20 121.99 2br3 s ILE 113 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2br3 s ILE 113 Cb -0.12 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.46 2br3 s ILE 113 CO 0.02 0.33 0.19 -0.83 0.00 0.00 0.00 174.94 174.66 2br3 s GLY 114 N 1.56 1.91 -0.21 6.18 0.00 0.32 -1.34 107.32 115.74 2br3 s GLY 114 Ca 0.01 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.07 2br3 s GLY 114 CO -0.05 0.80 0.03 -0.42 0.00 0.00 0.00 173.10 173.45 2br3 s ILE 115 N 1.58 4.11 0.06 0.90 1.01 -0.75 -0.82 121.20 127.30 2br3 s ILE 115 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 2br3 s ILE 115 Cb -0.18 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.45 2br3 s ILE 115 CO 0.07 0.40 0.44 -0.62 0.00 0.00 0.00 174.94 175.23 2br3 s ASP 116 N 1.16 -0.31 0.40 3.58 -1.08 -1.02 -1.65 116.67 117.74 2br3 s ASP 116 Ca 0.03 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 2br3 s ASP 116 Cb -0.14 0.45 0.85 0.00 -1.46 0.00 0.00 42.92 42.61 2br3 s ASP 116 CO 0.02 -0.72 1.77 0.08 0.52 0.00 0.00 175.17 176.85 2br3 h ARG 117 N 2.83 0.00 -2.87 4.34 0.11 -1.70 -2.74 114.38 114.35 2br3 h ARG 117 Ca -0.32 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.18 2br3 h ARG 117 Cb 1.22 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.90 2br3 h ARG 117 CO 0.44 0.00 -0.79 0.34 0.10 0.00 0.00 179.97 180.05 2br3 s ASP 118 N -5.39 3.40 -0.02 0.08 2.15 -1.26 -4.77 116.67 110.85 2br3 s ASP 118 Ca 0.06 -2.12 0.13 0.00 0.43 0.00 0.00 52.55 51.04 2br3 s ASP 118 Cb 0.08 -0.65 0.40 0.00 -0.30 0.00 0.00 42.92 42.46 2br3 s ASP 118 CO 0.57 -0.33 1.31 0.18 -0.17 0.00 0.00 175.17 176.73 2br3 n LEU 119 N 4.17 2.56 0.23 -1.34 4.77 -1.26 -4.38 117.00 121.75 2br3 n LEU 119 Ca 0.07 -1.28 0.09 0.00 -0.03 0.00 0.00 56.01 54.85 2br3 n LEU 119 Cb 0.38 -0.34 0.56 0.00 -2.33 0.00 0.00 43.42 41.69 2br3 n LEU 119 CO 0.15 0.57 0.87 0.77 -1.33 0.00 0.00 177.39 178.42 2br3 h SER 120 N 2.53 0.00 -0.10 -1.43 4.64 -1.93 -3.03 113.55 114.23 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 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2br3 h SER 120 CO 0.04 0.21 0.00 0.54 -0.87 0.00 0.00 176.83 176.76 2br3 n ARG 121 N -3.76 1.80 -2.02 4.77 1.74 -1.26 -4.93 116.66 113.02 2br3 n ARG 121 Ca -0.02 -1.19 -0.41 0.00 -0.77 0.00 0.00 57.85 55.47 2br3 n ARG 121 Cb 0.32 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 2br3 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2br3 n GLN 123 N 1.21 1.89 -2.15 0.00 1.13 -0.47 -4.98 117.38 114.01 2br3 n GLN 123 Ca 0.02 -0.61 -0.42 0.00 -1.94 0.00 0.00 57.00 54.05 2br3 n GLN 123 Cb 0.41 -1.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.68 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 -1.12 3.29 0.66 5.09 1.01 -1.26 -5.00 121.20 123.88 2br3 s ILE 124 Ca 0.07 0.90 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 2br3 s ILE 124 Cb 0.07 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 2br3 s ILE 124 CO 0.19 0.06 1.26 -2.84 0.00 0.00 0.00 174.94 173.61 2br3 s PRO 125 N 1.30 2.48 0.47 2.79 0.02 -1.26 -4.93 135.00 135.87 2br3 s PRO 125 Ca 0.65 1.97 0.12 0.00 0.02 0.00 0.00 61.00 63.76 2br3 s PRO 125 Cb -0.37 -1.85 1.08 0.00 0.02 0.00 0.00 34.50 33.38 2br3 s PRO 125 CO 0.30 -1.62 2.10 0.00 -0.33 0.00 0.00 177.00 177.44 2br3 h ALA 126 N 0.37 1.85 -0.19 -1.55 0.00 -2.02 -2.77 119.26 114.96 2br3 h ALA 126 Ca -0.50 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2br3 h ALA 126 Cb 1.32 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2br3 h ALA 126 CO 0.52 0.13 0.13 -1.13 0.00 0.00 0.00 179.25 178.90 2br3 n SER 127 N -4.49 3.26 -2.36 0.00 3.41 -1.26 -3.63 113.62 108.55 2br3 n SER 127 Ca -0.01 -2.32 -0.03 0.00 -0.26 0.00 0.00 58.87 56.26 2br3 n SER 127 Cb 0.10 -0.59 0.09 0.00 -0.26 0.00 0.00 64.21 63.55 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 0.23 -1.20 -0.26 4.04 4.64 -1.04 -4.98 116.55 117.97 2br3 n ASP 128 Ca 0.11 -2.17 0.09 0.00 -1.38 0.00 0.00 54.79 51.45 2br3 n ASP 128 Cb 0.71 0.55 0.17 0.00 -1.04 0.00 0.00 41.12 41.51 2br3 n ASP 128 CO 0.00 0.00 0.00 0.80 -0.82 0.00 0.00 177.20 177.18 2br3 n MET 129 N -1.20 1.60 -1.82 -0.67 1.56 -1.24 -4.85 117.12 110.50 2br3 n MET 129 Ca -0.18 -2.68 -0.42 0.00 -0.27 0.00 0.00 57.70 54.15 2br3 n MET 129 Cb 0.85 -1.57 -0.03 0.00 2.15 0.00 0.00 33.22 34.61 2br3 n MET 129 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2br3 s GLU 130 N -2.90 4.17 -1.05 2.12 2.12 -1.26 -2.24 118.70 119.67 2br3 s GLU 130 Ca 0.34 2.46 -0.01 0.00 0.36 0.00 0.00 54.97 58.12 2br3 s GLU 130 Cb 0.30 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2br3 s GLU 130 CO 0.03 -0.80 0.17 0.09 -0.54 0.00 0.00 175.26 174.22 2br3 n ASN 131 N 5.81 -4.22 -3.92 -1.70 5.03 -1.26 -5.01 115.26 109.99 2br3 n ASN 131 Ca 0.17 -0.09 -0.19 0.00 0.87 0.00 0.00 54.58 55.34 2br3 n ASN 131 Cb 0.40 -3.26 -0.16 0.00 -1.02 0.00 0.00 39.78 35.74 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 -2.78 0.50 -0.07 2.41 1.01 -0.95 -1.91 121.20 119.41 2br3 s ILE 132 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2br3 s ILE 132 Cb -0.04 -0.50 0.03 0.00 0.01 0.00 0.00 42.46 41.96 2br3 s ILE 132 CO 0.11 0.19 -0.01 -0.89 0.00 0.00 0.00 174.94 174.34 2br3 s THR 133 N 0.56 0.41 0.45 2.92 2.01 -0.68 -4.98 115.64 116.33 2br3 s THR 133 Ca -0.07 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2br3 s THR 133 Cb -0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 2br3 s THR 133 CO -0.00 0.26 0.76 -0.76 -0.69 0.00 0.00 174.62 174.19 2br3 s LEU 134 N 1.83 3.70 -0.28 4.42 1.02 -1.26 -0.52 118.68 127.59 2br3 s LEU 134 Ca 0.03 0.93 -0.00 0.00 0.02 0.00 0.00 54.13 55.10 2br3 s LEU 134 Cb -0.12 -3.86 0.17 0.00 0.02 0.00 0.00 46.19 42.39 2br3 s LEU 134 CO -0.05 -0.52 0.50 -1.00 0.02 0.00 0.00 176.35 175.30 2br3 s HIS 135 N -2.64 -1.30 0.17 0.29 3.76 0.00 -4.90 115.29 110.67 2br3 s HIS 135 Ca 0.47 1.18 -0.31 0.00 -0.15 0.00 0.00 55.06 56.25 2br3 s HIS 135 Cb -0.10 0.27 -0.09 0.00 1.11 0.00 0.00 32.58 33.77 2br3 s HIS 135 CO 0.42 -0.86 1.36 -1.14 -0.85 0.00 0.00 174.74 173.67 2br3 s GLN 136 N 2.71 4.34 -0.22 1.40 2.00 -1.26 -2.42 119.66 126.21 2br3 s GLN 136 Ca 0.15 2.10 -0.34 0.00 -2.00 0.00 0.00 55.36 55.27 2br3 s GLN 136 Cb -0.14 -3.21 0.15 0.00 0.80 0.00 0.00 33.01 30.61 2br3 s GLN 136 CO -0.21 -0.36 1.26 0.20 -0.50 0.00 0.00 175.29 175.68 2br3 s GLY 137 N 0.69 -0.21 -0.11 2.59 0.00 -1.03 -4.93 107.32 104.32 2br3 s GLY 137 Ca 0.61 1.90 -0.05 0.00 0.00 0.00 0.00 44.72 47.18 2br3 s GLY 137 CO 0.35 0.68 0.06 -0.35 0.00 0.00 0.00 173.10 173.84 2br3 s ASP 138 N -1.88 5.70 0.07 1.64 3.68 -1.26 -1.97 116.67 122.65 2br3 s ASP 138 Ca 0.09 0.24 -0.30 0.00 2.13 0.00 0.00 52.55 54.72 2br3 s ASP 138 Cb -0.01 -1.76 -0.18 0.00 -1.45 0.00 0.00 42.92 39.52 2br3 s ASP 138 CO -0.04 0.35 1.63 0.00 0.13 0.00 0.00 175.17 177.24 2br3 h SER 140 N -0.65 0.41 -3.58 0.00 0.87 -1.92 -3.32 113.55 105.35 2br3 h SER 140 Ca -0.06 0.22 -0.57 0.00 -1.23 0.00 0.00 61.79 60.14 2br3 h SER 140 Cb 0.49 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.57 2br3 h SER 140 CO 0.10 -0.28 0.81 -0.62 -0.53 0.00 0.00 176.83 176.32 2br3 s ASP 141 N -4.70 6.54 0.18 6.23 2.15 -1.07 -4.89 116.67 121.11 2br3 s ASP 141 Ca -0.09 0.24 0.20 0.00 0.43 0.00 0.00 52.55 53.33 2br3 s ASP 141 Cb 0.32 -2.51 0.87 0.00 -0.30 0.00 0.00 42.92 41.29 2br3 s ASP 141 CO 0.79 -1.23 1.62 0.18 -0.17 0.00 0.00 175.17 176.36 2br3 n LEU 142 N 7.73 0.46 -0.00 -1.34 4.77 -1.25 -2.57 117.00 124.80 2br3 n LEU 142 Ca 0.09 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2br3 n LEU 142 Cb 0.49 -0.56 0.45 0.00 -2.33 0.00 0.00 43.42 41.46 2br3 n LEU 142 CO 0.69 -0.49 0.72 0.41 -1.33 0.00 0.00 177.39 177.39 2br3 n THR 143 N -2.02 0.00 -0.22 -5.08 -1.04 -1.26 -3.02 114.28 101.65 2br3 n THR 143 Ca 0.02 -0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.23 2br3 n THR 143 Cb 0.20 -0.15 0.55 0.00 -1.82 0.00 0.00 70.33 69.11 2br3 n THR 143 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2br3 h THR 144 N 0.00 0.67 0.00 12.58 2.02 -1.77 -3.23 112.91 123.20 2br3 h THR 144 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2br3 h THR 144 Cb 0.50 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2br3 h THR 144 CO 0.00 0.06 -1.24 0.49 0.37 0.00 0.00 175.52 175.20 2br3 n PHE 145 N -4.47 0.09 -0.12 3.16 3.01 -1.17 -4.21 117.46 113.75 2br3 n PHE 145 Ca 0.18 0.03 -0.05 0.00 1.01 0.00 0.00 57.45 58.62 2br3 n PHE 145 Cb 0.71 -0.28 0.03 0.00 -0.01 0.00 0.00 39.48 39.94 2br3 n PHE 145 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2br3 h GLU 146 N 0.00 0.16 0.00 -1.08 4.57 -1.71 -2.99 114.58 113.53 2br3 h GLU 146 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2br3 h GLU 146 Cb 0.70 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2br3 h GLU 146 CO 0.00 0.10 0.00 0.72 -1.18 0.00 0.00 179.01 178.65 2br3 n HIS 147 N -5.14 0.00 -1.58 0.92 8.25 -1.26 -1.44 115.22 114.98 2br3 n HIS 147 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 2br3 n HIS 147 Cb 0.19 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.70 4.32 -0.95 2.41 7.99 -1.13 -4.55 117.00 124.40 2br3 n LEU 148 Ca 0.04 -4.02 0.08 0.00 -0.01 0.00 0.00 56.01 52.10 2br3 n LEU 148 Cb 0.02 -0.59 0.22 0.00 -0.11 0.00 0.00 43.42 42.96 2br3 n LEU 148 CO 0.03 1.46 0.68 -1.14 -1.51 0.00 0.00 177.39 176.91 2br3 n ARG 149 N -1.04 2.26 -0.01 3.23 0.00 -0.52 -3.99 116.66 116.59 2br3 n ARG 149 Ca 0.35 -1.78 -0.06 0.00 -0.00 0.00 0.00 57.85 56.36 2br3 n ARG 149 Cb 0.95 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 31.85 2br3 n ARG 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2br3 n GLU 150 N 0.88 0.63 -2.30 -0.14 1.02 -1.26 -5.01 120.64 114.46 2br3 n GLU 150 Ca 0.16 0.26 -0.34 0.00 -0.02 0.00 0.00 57.16 57.22 2br3 n GLU 150 Cb 0.45 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2br3 n GLU 150 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2br3 s MET 151 N -2.68 3.45 0.87 3.49 -1.94 -1.26 -5.02 119.30 116.22 2br3 s MET 151 Ca -0.05 1.49 -0.14 0.00 -1.71 0.00 0.00 55.69 55.29 2br3 s MET 151 Cb 0.08 -2.03 0.13 0.00 2.01 0.00 0.00 34.83 35.02 2br3 s MET 151 CO 0.82 -0.74 1.23 0.00 -0.01 0.00 0.00 175.02 176.32 2br3 s ALA 152 N -1.92 2.44 0.29 3.03 0.00 -1.26 -5.04 121.76 119.30 2br3 s ALA 152 Ca 0.70 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.90 2br3 s ALA 152 Cb -0.21 -2.89 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2br3 s ALA 152 CO 0.26 -2.00 -0.14 -1.01 0.00 0.00 0.00 175.76 172.87 2br3 s HIS 153 N -3.68 2.18 0.91 0.00 3.76 -1.26 -4.02 115.29 113.18 2br3 s HIS 153 Ca 0.67 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.99 2br3 s HIS 153 Cb -0.08 -1.10 0.14 0.00 1.11 0.00 0.00 32.58 32.65 2br3 s HIS 153 CO 0.51 0.56 1.09 -2.14 -0.85 0.00 0.00 174.74 173.91 2br3 s PRO 154 N -3.59 1.15 0.01 8.40 0.02 -1.26 -4.31 135.00 135.41 2br3 s PRO 154 Ca 0.30 0.93 0.02 0.00 0.02 0.00 0.00 61.00 62.27 2br3 s PRO 154 Cb -0.01 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 2br3 s PRO 154 CO 0.14 -2.35 -0.06 -1.17 -0.33 0.00 0.00 177.00 173.23 2br3 s LEU 155 N -6.32 2.09 -0.20 -5.54 0.20 -1.26 -1.18 118.68 106.47 2br3 s LEU 155 Ca 0.64 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.23 2br3 s LEU 155 Cb -0.19 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.35 2br3 s LEU 155 CO 0.58 -0.02 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.81 2br3 s ILE 156 N -0.52 2.12 -0.21 6.68 1.01 -0.25 -1.52 121.20 128.51 2br3 s ILE 156 Ca -0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 2br3 s ILE 156 Cb -0.05 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2br3 s ILE 156 CO 0.00 0.42 0.06 0.12 0.00 0.00 0.00 174.94 175.54 2br3 s PHE 157 N 1.26 3.15 -0.15 3.97 5.36 -0.50 -0.45 117.98 130.63 2br3 s PHE 157 Ca 0.02 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 2br3 s PHE 157 Cb -0.15 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.40 2br3 s PHE 157 CO -0.11 -0.11 -0.20 0.42 -1.46 0.00 0.00 175.22 173.76 2br3 s ILE 158 N 0.99 1.95 -0.53 3.12 1.01 -0.69 -1.10 121.20 125.96 2br3 s ILE 158 Ca 0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 2br3 s ILE 158 Cb -0.14 -1.75 0.07 0.00 0.01 0.00 0.00 42.46 40.65 2br3 s ILE 158 CO 0.03 0.53 0.66 -0.62 0.00 0.00 0.00 174.94 175.54 2br3 s ASP 159 N 0.99 6.22 -0.17 3.58 -1.08 -0.05 -1.37 116.67 124.80 2br3 s ASP 159 Ca -0.03 -1.00 0.16 0.00 -0.52 0.00 0.00 52.55 51.16 2br3 s ASP 159 Cb -0.15 -2.30 0.52 0.00 -1.46 0.00 0.00 42.92 39.53 2br3 s ASP 159 CO -0.05 -0.97 1.42 0.47 0.52 0.00 0.00 175.17 176.56 2br3 n ASP 160 N 6.30 3.85 -0.03 -0.34 8.00 0.53 -2.58 116.55 132.29 2br3 n ASP 160 Ca -0.07 -2.94 -0.03 0.00 0.71 0.00 0.00 54.79 52.46 2br3 n ASP 160 Cb 0.45 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.41 1.88 -1.51 2.24 0.00 -1.09 -4.64 120.51 116.98 2br3 n ALA 161 Ca 0.21 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 2br3 n ALA 161 Cb 0.86 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.48 -0.10 -5.24 0.00 8.25 -1.26 -5.00 115.22 109.39 2br3 n HIS 162 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 2br3 n HIS 162 Cb 0.63 -2.36 -0.16 0.00 1.12 0.00 0.00 29.99 29.22 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 -2.49 2.21 -1.62 -1.41 0.00 -1.26 -4.68 121.76 112.51 2br3 s ALA 163 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 2br3 s ALA 163 Cb 0.00 -0.66 0.12 0.00 0.00 0.00 0.00 23.12 22.58 2br3 s ALA 163 CO 0.00 0.47 0.89 -1.71 0.00 0.00 0.00 175.76 175.41 2br3 n ASN 164 N 2.72 -4.10 0.04 0.00 5.15 -1.26 -4.76 115.26 113.05 2br3 n ASN 164 Ca -0.17 -0.90 -0.20 0.00 -0.60 0.00 0.00 54.58 52.71 2br3 n ASN 164 Cb 0.52 -3.32 -0.11 0.00 -0.53 0.00 0.00 39.78 36.33 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 -1.80 1.32 -0.06 -0.44 2.02 -1.98 -2.44 112.91 109.54 2br3 h THR 165 Ca -0.59 -2.27 -0.09 0.00 0.77 0.00 0.00 66.41 64.24 2br3 h THR 165 Cb 1.38 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 2br3 h THR 165 CO 0.73 0.69 -0.38 -0.26 0.37 0.00 0.00 175.52 176.66 2br3 h PHE 166 N 0.23 0.14 -0.02 3.16 -1.00 -1.97 -0.72 116.94 116.75 2br3 h PHE 166 Ca -0.13 -0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.47 2br3 h PHE 166 Cb 1.66 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 41.17 2br3 h PHE 166 CO 0.12 0.49 -0.64 -0.91 -1.61 0.00 0.00 178.31 175.76 2br3 h ASN 167 N 0.10 0.11 0.41 2.17 2.35 -1.95 -2.38 115.58 116.40 2br3 h ASN 167 Ca 0.01 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 2br3 h ASN 167 Cb 0.73 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2br3 h ASN 167 CO 0.05 0.72 -0.60 0.40 -1.65 0.00 0.00 177.43 176.35 2br3 h ILE 168 N 0.07 1.39 -0.27 2.81 2.04 -1.08 -1.72 117.51 120.75 2br3 h ILE 168 Ca -0.01 -1.99 -0.16 0.00 1.00 0.00 0.00 64.86 63.71 2br3 h ILE 168 Cb 1.14 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 2br3 h ILE 168 CO 0.09 0.58 -0.47 -0.03 0.00 0.00 0.00 178.15 178.32 2br3 h MET 169 N 0.14 0.71 -0.01 2.37 4.05 -0.99 -1.53 114.93 119.66 2br3 h MET 169 Ca -0.01 -0.41 -0.21 0.00 -0.28 0.00 0.00 59.70 58.79 2br3 h MET 169 Cb 1.09 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2br3 h MET 169 CO 0.09 1.03 -0.89 1.57 0.23 0.00 0.00 176.91 178.93 2br3 h LYS 170 N 0.57 0.35 -0.61 0.39 2.10 -1.41 -1.67 116.57 116.29 2br3 h LYS 170 Ca 0.03 -0.37 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 2br3 h LYS 170 Cb 1.03 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.43 2br3 h LYS 170 CO 0.10 1.05 0.30 2.35 -2.00 0.00 0.00 179.45 181.24 2br3 h TRP 171 N 0.20 0.88 0.19 0.07 7.01 -1.19 -2.62 115.95 120.48 2br3 h TRP 171 Ca -0.06 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 2br3 h TRP 171 Cb 1.52 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.31 2br3 h TRP 171 CO 0.05 0.66 -0.09 0.00 -2.79 0.00 0.00 178.44 176.27 2br3 h ALA 172 N 1.13 -0.25 -0.83 2.65 0.00 -1.21 -1.88 119.26 118.87 2br3 h ALA 172 Ca 0.21 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2br3 h ALA 172 Cb 0.11 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 2br3 h ALA 172 CO -0.03 -0.44 0.12 0.28 0.00 0.00 0.00 179.25 179.19 2br3 h VAL 173 N -0.65 0.32 -0.08 0.00 2.07 -1.30 0.13 116.25 116.74 2br3 h VAL 173 Ca -0.03 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 2br3 h VAL 173 Cb 0.47 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2br3 h VAL 173 CO 0.04 0.03 -0.52 0.44 0.02 0.00 0.00 177.57 177.58 2br3 h ASP 174 N 0.16 0.60 -0.01 0.57 3.32 -1.40 -3.40 116.42 116.27 2br3 h ASP 174 Ca 0.49 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2br3 h ASP 174 Cb 0.93 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2br3 h ASP 174 CO -0.67 1.17 -0.01 1.41 -1.72 0.00 0.00 179.24 179.43 2br3 n HIS 175 N -4.23 0.00 0.04 4.55 8.25 -0.72 -4.87 115.22 118.24 2br3 n HIS 175 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2br3 n HIS 175 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 0.17 0.02 -4.63 2.41 7.94 0.38 -4.98 117.00 118.31 2br3 n LEU 176 Ca 0.02 0.12 -0.41 0.00 -1.11 0.00 0.00 56.01 54.64 2br3 n LEU 176 Cb 0.11 0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.07 2br3 n LEU 176 CO 0.03 -0.51 0.45 -0.76 -1.11 0.00 0.00 177.39 175.49 2br3 s LEU 177 N -5.72 4.08 0.00 -1.96 1.43 -1.01 -5.05 118.68 110.45 2br3 s LEU 177 Ca 0.00 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2br3 s LEU 177 Cb 0.00 -2.93 0.14 0.00 0.03 0.00 0.00 46.19 43.42 2br3 s LEU 177 CO 0.00 -0.39 0.91 -0.62 0.23 0.00 0.00 176.35 176.48 2br3 n GLU 178 N 5.67 -0.16 -1.96 1.70 4.71 -1.26 -4.93 120.64 124.41 2br3 n GLU 178 Ca 0.01 -2.30 -0.41 0.00 -0.01 0.00 0.00 57.16 54.44 2br3 n GLU 178 Cb 0.49 -0.66 -0.02 0.00 -1.01 0.00 0.00 31.44 30.24 2br3 n GLU 178 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2br3 s GLU 179 N -4.86 4.23 0.00 3.49 2.12 -1.26 -2.61 118.70 119.81 2br3 s GLU 179 Ca 0.59 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.29 2br3 s GLU 179 Cb -0.03 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2br3 s GLU 179 CO 0.39 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2br3 n GLY 180 N 1.76 3.38 3.77 -1.50 0.00 -0.65 -5.00 105.19 106.94 2br3 n GLY 180 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.83 5.31 -0.11 1.61 1.11 -1.07 -4.70 116.67 117.98 2br3 s ASP 181 Ca 0.00 2.13 -0.04 0.00 0.18 0.00 0.00 52.55 54.81 2br3 s ASP 181 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2br3 s ASP 181 CO 0.00 -1.50 0.06 -0.31 1.18 0.00 0.00 175.17 174.60 2br3 s TYR 182 N -2.02 3.32 -0.26 4.23 1.51 -0.58 -1.04 117.35 122.51 2br3 s TYR 182 Ca 0.71 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 57.07 2br3 s TYR 182 Cb -0.23 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.79 2br3 s TYR 182 CO 0.35 0.52 -0.10 0.12 -1.11 0.00 0.00 175.55 175.33 2br3 s PHE 183 N -0.76 3.22 -0.17 2.71 5.36 0.36 -1.41 117.98 127.29 2br3 s PHE 183 Ca 0.12 -2.16 -0.01 0.00 -0.96 0.00 0.00 56.93 53.92 2br3 s PHE 183 Cb -0.12 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.59 2br3 s PHE 183 CO 0.03 -0.85 -0.11 0.42 -1.46 0.00 0.00 175.22 173.24 2br3 s ILE 184 N 1.15 3.04 -0.25 3.12 1.01 -0.25 -1.92 121.20 127.09 2br3 s ILE 184 Ca -0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 2br3 s ILE 184 Cb -0.19 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2br3 s ILE 184 CO -0.05 0.49 0.11 -0.63 0.00 0.00 0.00 174.94 174.87 2br3 s ILE 185 N 0.84 4.71 0.06 2.92 1.01 -0.43 -0.87 121.20 129.45 2br3 s ILE 185 Ca -0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2br3 s ILE 185 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2br3 s ILE 185 CO 0.00 0.32 0.37 -1.61 0.00 0.00 0.00 174.94 174.02 2br3 s GLU 186 N 1.56 3.71 0.00 2.79 2.02 -1.07 -4.52 118.70 123.20 2br3 s GLU 186 Ca 0.06 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.16 2br3 s GLU 186 Cb -0.15 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.06 2br3 s GLU 186 CO 0.06 0.58 0.00 -0.25 0.02 0.00 0.00 175.26 175.67 2br3 n ASP 187 N 0.94 0.00 0.07 -0.19 8.00 0.60 -4.68 116.55 121.29 2br3 n ASP 187 Ca -0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.46 2br3 n ASP 187 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.00 -0.52 -1.24 2.86 -1.86 -3.38 114.93 110.79 2br3 h MET 188 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2br3 h MET 188 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2br3 h MET 188 CO 0.00 0.18 0.26 0.82 1.06 0.00 0.00 176.91 179.23 2br3 h ILE 189 N 0.00 0.94 -0.55 -1.22 5.03 -1.85 -0.90 117.51 118.96 2br3 h ILE 189 Ca -0.08 -0.17 0.06 0.00 -0.12 0.00 0.00 64.86 64.54 2br3 h ILE 189 Cb 1.32 0.39 -0.03 0.00 -3.03 0.00 0.00 36.82 35.47 2br3 h ILE 189 CO 0.03 0.09 0.36 -0.65 -0.68 0.00 0.00 178.15 177.30 2br3 h PRO 190 N 0.50 0.50 0.03 2.37 0.11 -1.82 -1.90 132.00 131.79 2br3 h PRO 190 Ca 0.23 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.16 2br3 h PRO 190 Cb 0.15 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.16 2br3 h PRO 190 CO -0.17 0.33 -0.61 1.88 -0.21 0.00 0.00 178.00 179.22 2br3 h TYR 191 N 0.51 0.56 -0.56 0.65 -1.99 -1.52 -2.38 116.97 112.24 2br3 h TYR 191 Ca 0.24 -0.32 0.04 0.00 2.00 0.00 0.00 58.73 60.68 2br3 h TYR 191 Cb 0.28 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.91 2br3 h TYR 191 CO -0.00 1.16 0.31 -1.49 -0.00 0.00 0.00 178.16 178.14 2br3 h TRP 192 N -0.20 0.56 0.00 4.88 6.55 -1.11 -0.48 115.95 126.14 2br3 h TRP 192 Ca -0.08 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.70 2br3 h TRP 192 Cb 1.35 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 29.47 2br3 h TRP 192 CO 0.16 0.29 -0.36 -0.92 -1.05 0.00 0.00 178.44 176.55 2br3 h TYR 193 N 0.59 0.00 -0.13 0.49 3.20 -1.43 0.38 116.97 120.07 2br3 h TYR 193 Ca 0.24 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.91 2br3 h TYR 193 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2br3 h TYR 193 CO -0.09 0.36 -0.73 -0.09 -1.64 0.00 0.00 178.16 175.98 2br3 h ARG 194 N 0.00 0.62 0.00 1.82 2.43 -0.83 -3.09 114.38 115.34 2br3 h ARG 194 Ca -0.00 -0.49 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 2br3 h ARG 194 Cb 0.65 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2br3 h ARG 194 CO 0.05 1.11 -1.21 0.66 -1.51 0.00 0.00 179.97 179.07 2br3 n TYR 195 N -3.90 0.95 -2.92 2.20 0.53 -0.26 -4.63 117.16 109.14 2br3 n TYR 195 Ca -0.06 0.30 -0.14 0.00 -1.02 0.00 0.00 57.90 56.98 2br3 n TYR 195 Cb 0.71 -1.01 0.02 0.00 -1.03 0.00 0.00 39.34 38.03 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 -2.28 0.19 -0.17 -0.72 0.00 0.13 -5.01 120.51 112.65 2br3 n ALA 196 Ca -0.05 -2.21 -0.02 0.00 0.00 0.00 0.00 53.44 51.16 2br3 n ALA 196 Cb 0.68 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 19.10 2br3 n ALA 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2br3 h PRO 197 N 3.63 0.33 0.70 0.00 0.11 -1.69 -1.18 132.00 133.89 2br3 h PRO 197 Ca -0.05 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2br3 h PRO 197 Cb 1.00 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.04 2br3 h PRO 197 CO 0.34 0.22 -0.33 1.96 -0.21 0.00 0.00 178.00 179.98 2br3 h GLN 198 N 0.34 -0.90 -0.42 1.05 4.20 -1.94 -2.13 115.11 115.31 2br3 h GLN 198 Ca 0.25 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 2br3 h GLN 198 Cb 0.29 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2br3 h GLN 198 CO -0.27 -0.57 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.19 2br3 h LEU 199 N -1.13 0.70 -0.44 1.46 3.38 -1.97 -2.49 115.31 114.83 2br3 h LEU 199 Ca -0.10 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2br3 h LEU 199 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2br3 h LEU 199 CO 0.16 0.81 -0.01 0.15 0.09 0.00 0.00 178.44 179.63 2br3 h PHE 200 N 0.67 0.85 -0.33 1.13 3.57 -1.23 -2.27 116.94 119.33 2br3 h PHE 200 Ca 0.12 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2br3 h PHE 200 Cb 0.50 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2br3 h PHE 200 CO 0.02 0.84 -0.17 0.77 -2.23 0.00 0.00 178.31 177.55 2br3 h SER 201 N 0.62 0.58 -0.31 0.41 0.02 -1.13 -1.50 113.55 112.25 2br3 h SER 201 Ca 0.12 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2br3 h SER 201 Cb 0.51 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2br3 h SER 201 CO 0.02 0.77 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.24 2br3 h GLU 202 N 0.54 0.65 -0.11 3.45 4.81 -1.37 -1.05 114.58 121.50 2br3 h GLU 202 Ca 0.09 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2br3 h GLU 202 Cb 0.59 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2br3 h GLU 202 CO 0.04 0.88 -0.05 1.88 -0.73 0.00 0.00 179.01 181.03 2br3 h TYR 203 N 0.41 0.26 -0.39 0.92 0.99 -1.30 -1.37 116.97 116.49 2br3 h TYR 203 Ca 0.07 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2br3 h TYR 203 Cb 0.69 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 2br3 h TYR 203 CO 0.06 0.57 0.21 1.25 -0.00 0.00 0.00 178.16 180.26 2br3 h LEU 204 N -0.12 0.49 -1.79 3.88 6.46 -1.30 -2.25 115.31 120.68 2br3 h LEU 204 Ca 0.03 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2br3 h LEU 204 Cb 0.50 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2br3 h LEU 204 CO 0.02 0.44 0.00 1.23 -0.62 0.00 0.00 178.44 179.51 2br3 h GLY 205 N 0.50 0.00 2.00 3.75 0.00 -1.18 -2.17 103.07 105.98 2br3 h GLY 205 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2br3 h GLY 205 CO -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.41 2br3 h ALA 206 N 2.04 1.78 -0.72 3.60 0.00 -0.60 -2.21 119.26 123.13 2br3 h ALA 206 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2br3 h ALA 206 Cb 0.31 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.88 2br3 h ALA 206 CO 0.00 0.13 0.43 1.19 0.00 0.00 0.00 179.25 181.00 2br3 n PHE 207 N -4.35 2.27 0.23 0.00 3.01 -0.81 -4.52 117.46 113.28 2br3 n PHE 207 Ca -0.03 -1.39 0.09 0.00 1.01 0.00 0.00 57.45 57.13 2br3 n PHE 207 Cb 0.18 -0.73 0.54 0.00 -0.01 0.00 0.00 39.48 39.45 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 1.16 0.00 -0.00 -1.08 0.11 -1.54 -1.68 114.38 111.35 2br3 h ARG 208 Ca 0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.50 2br3 h ARG 208 Cb 2.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.41 2br3 h ARG 208 CO 0.79 0.23 -0.20 -0.25 0.10 0.00 0.00 179.97 180.63 2br3 n ASP 209 N -3.68 0.44 0.00 0.08 8.00 -1.26 -4.59 116.55 115.54 2br3 n ASP 209 Ca -0.01 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2br3 n ASP 209 Cb 0.35 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.17 0.00 -4.01 2.53 0.24 -1.11 -4.99 118.33 109.82 2br3 n VAL 210 Ca 0.10 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 2br3 n VAL 210 Cb 0.31 -1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 31.64 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 -5.42 3.88 0.07 1.34 1.43 -0.65 -2.99 118.68 116.35 2br3 s LEU 211 Ca 0.00 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2br3 s LEU 211 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2br3 s LEU 211 CO 0.00 -0.11 0.20 -0.94 0.23 0.00 0.00 176.35 175.73 2br3 s SER 212 N -3.91 0.07 -0.28 2.29 1.04 -0.61 -4.57 113.70 107.74 2br3 s SER 212 Ca 0.35 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 2br3 s SER 212 Cb -0.08 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2br3 s SER 212 CO 0.26 -0.67 0.61 -0.32 0.98 0.00 0.00 173.24 174.11 2br3 s MET 213 N -3.35 4.01 -0.63 4.02 1.75 -1.26 -1.80 119.30 122.04 2br3 s MET 213 Ca 0.01 0.40 -0.28 0.00 -1.25 0.00 0.00 55.69 54.58 2br3 s MET 213 Cb 0.02 -3.69 0.03 0.00 2.84 0.00 0.00 34.83 34.03 2br3 s MET 213 CO -0.08 -0.48 1.28 0.34 -0.65 0.00 0.00 175.02 175.43 2br3 s ASP 214 N 1.56 6.26 0.52 1.11 -1.08 -0.79 -4.87 116.67 119.37 2br3 s ASP 214 Ca 0.25 -0.04 0.32 0.00 -0.52 0.00 0.00 52.55 52.56 2br3 s ASP 214 Cb -0.15 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.01 2br3 s ASP 214 CO 0.10 -1.67 1.94 0.24 0.52 0.00 0.00 175.17 176.30 2br3 h MET 215 N 10.12 0.00 -0.10 4.34 2.86 -1.94 -1.35 114.93 128.86 2br3 h MET 215 Ca -0.26 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 2br3 h MET 215 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2br3 h MET 215 CO 1.22 0.00 -0.28 1.25 1.06 0.00 0.00 176.91 180.16 2br3 h LEU 216 N 0.00 0.18 0.00 1.22 5.85 -1.99 -3.33 115.31 117.24 2br3 h LEU 216 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2br3 h LEU 216 Cb 0.54 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2br3 h LEU 216 CO 0.00 0.46 -0.93 -1.22 -0.34 0.00 0.00 178.44 176.40 2br3 n TYR 217 N -4.15 0.00 1.71 1.25 0.53 -1.02 -4.78 117.16 110.70 2br3 n TYR 217 Ca -0.01 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.02 2br3 n TYR 217 Cb 0.37 -0.10 0.78 0.00 -1.03 0.00 0.00 39.34 39.35 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 -1.52 2.66 -1.80 -0.72 0.00 -0.54 -2.98 120.51 115.61 2br3 n ALA 218 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.24 2br3 n ALA 218 Cb 0.17 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.81 1.41 -0.33 0.00 3.02 -1.26 -0.82 115.26 116.47 2br3 n ASN 219 Ca 0.20 -2.98 0.05 0.00 -0.03 0.00 0.00 54.58 51.81 2br3 n ASN 219 Cb 0.21 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.59 2.60 -3.47 5.41 0.00 -1.16 -4.97 120.51 118.34 2br3 n ALA 220 Ca 0.12 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 2br3 n ALA 220 Cb 0.81 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 2br3 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br3 s SER 221 N -1.01 -0.59 0.32 0.00 1.04 -1.26 -4.78 113.70 107.42 2br3 s SER 221 Ca 0.10 0.57 0.13 0.00 0.48 0.00 0.00 55.95 57.23 2br3 s SER 221 Cb 0.08 0.52 0.54 0.00 0.10 0.00 0.00 66.02 67.26 2br3 s SER 221 CO 0.17 -0.62 1.70 0.77 0.98 0.00 0.00 173.24 176.24 2br3 h SER 222 N 3.01 0.00 0.48 7.02 4.64 -1.95 -1.36 113.55 125.39 2br3 h SER 222 Ca -0.28 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 2br3 h SER 222 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2br3 h SER 222 CO 0.39 0.49 -0.61 1.56 -0.87 0.00 0.00 176.83 177.79 2br3 h GLN 223 N 0.00 0.13 -0.02 4.77 4.20 -1.97 -3.15 115.11 119.07 2br3 h GLN 223 Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2br3 h GLN 223 Cb 0.92 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2br3 h GLN 223 CO 0.06 0.70 -0.18 1.28 -0.67 0.00 0.00 178.83 180.03 2br3 n LEU 224 N -3.84 2.45 -4.63 1.46 4.77 -1.12 -0.29 117.00 115.79 2br3 n LEU 224 Ca -0.02 -0.84 -0.66 0.00 -0.03 0.00 0.00 56.01 54.46 2br3 n LEU 224 Cb 0.62 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2br3 n LEU 224 CO 0.43 0.42 1.29 -0.67 -1.33 0.00 0.00 177.39 177.53 2br3 n ASP 225 N 0.68 1.10 -1.69 -1.43 2.03 -0.53 -1.04 116.55 115.68 2br3 n ASP 225 Ca 0.13 1.07 -0.20 0.00 0.52 0.00 0.00 54.79 56.31 2br3 n ASP 225 Cb 0.52 -0.88 -0.07 0.00 -0.72 0.00 0.00 41.12 39.96 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 4.82 -1.48 -0.03 -0.67 1.74 -0.00 -4.63 116.66 116.42 2br3 n ARG 226 Ca 0.37 1.12 0.01 0.00 -0.77 0.00 0.00 57.85 58.58 2br3 n ARG 226 Cb -0.06 -5.53 0.01 0.00 -1.02 0.00 0.00 32.46 25.87 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 -0.45 1.05 3.44 -0.13 0.00 -0.20 -4.96 105.19 103.93 2br3 n GLY 227 Ca -0.20 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.77 5.07 0.31 1.61 1.01 -1.25 -1.32 120.40 125.05 2br3 s VAL 228 Ca 0.03 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.45 2br3 s VAL 228 Cb 0.02 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2br3 s VAL 228 CO 0.00 -0.25 -0.13 -0.76 0.00 0.00 0.00 175.10 173.96 2br3 s LEU 229 N 1.65 2.65 0.09 3.92 1.43 -0.81 -1.89 118.68 125.72 2br3 s LEU 229 Ca 0.04 -1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 2br3 s LEU 229 Cb -0.19 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.13 2br3 s LEU 229 CO 0.09 -0.13 0.67 0.00 0.23 0.00 0.00 176.35 177.21 2br3 s ARG 230 N -3.59 1.15 -0.90 1.70 1.70 -0.74 -0.49 118.95 117.78 2br3 s ARG 230 Ca 0.31 -0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 55.00 2br3 s ARG 230 Cb -0.00 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 34.95 2br3 s ARG 230 CO 0.15 -0.48 1.40 0.50 -1.08 0.00 0.00 175.30 175.79 2br3 s ARG 231 N -3.21 3.40 -0.03 3.89 3.00 -0.21 -1.57 118.95 124.23 2br3 s ARG 231 Ca -0.00 -0.74 -0.22 0.00 -1.00 0.00 0.00 55.73 53.77 2br3 s ARG 231 Cb -0.01 -4.89 0.04 0.00 0.00 0.00 0.00 34.95 30.10 2br3 s ARG 231 CO -0.09 -2.22 0.48 0.08 0.00 0.00 0.00 175.30 173.55 2br3 s VAL 232 N 5.44 0.03 0.30 7.11 1.01 -1.16 -1.64 120.40 131.49 2br3 s VAL 232 Ca 0.43 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2br3 s VAL 232 Cb -0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 2br3 s VAL 232 CO 0.00 -0.14 1.23 0.00 0.00 0.00 0.00 175.10 176.19 2br3 s ALA 233 N -1.34 3.47 -2.38 5.51 0.00 -1.26 -4.22 121.76 121.53 2br3 s ALA 233 Ca -0.12 1.11 0.29 0.00 0.00 0.00 0.00 51.96 53.24 2br3 s ALA 233 Cb -0.03 -3.42 1.25 0.00 0.00 0.00 0.00 23.12 20.93 2br3 s ALA 233 CO 0.06 -0.45 1.86 0.00 0.00 0.00 0.00 175.76 177.24