#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br4 h ASP 3 N 0.00 0.00 -0.27 6.41 3.45 -2.03 -2.50 116.42 121.48 2br4 h ASP 3 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2br4 h ASP 3 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2br4 h ASP 3 CO 0.00 0.00 0.14 0.10 -1.57 0.00 0.00 179.24 177.91 2br4 h TYR 4 N 0.00 0.42 0.00 4.55 -0.00 -2.03 -2.01 116.97 117.90 2br4 h TYR 4 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.77 2br4 h TYR 4 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 36.80 2br4 h TYR 4 CO 0.00 0.32 0.00 -1.13 -0.00 0.00 0.00 178.16 177.35 2br4 n SER 5 N -4.43 0.49 -1.11 0.10 3.41 -0.94 -3.02 113.62 108.13 2br4 n SER 5 Ca 0.02 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 2br4 n SER 5 Cb 0.12 -0.68 0.27 0.00 -0.26 0.00 0.00 64.21 63.66 2br4 n SER 5 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2br4 n ARG 6 N -1.96 2.42 -4.19 4.33 5.12 -0.76 -4.97 116.66 116.64 2br4 n ARG 6 Ca 0.06 -2.17 -0.16 0.00 -1.93 0.00 0.00 57.85 53.65 2br4 n ARG 6 Cb 0.38 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.05 2br4 n ARG 6 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2br4 s GLN 7 N -1.36 0.60 0.21 5.56 0.74 -1.17 -5.11 119.66 119.14 2br4 s GLN 7 Ca 0.40 -0.52 -0.02 0.00 0.05 0.00 0.00 55.36 55.28 2br4 s GLN 7 Cb 0.22 -0.52 -0.05 0.00 1.10 0.00 0.00 33.01 33.77 2br4 s GLN 7 CO 0.30 0.13 0.41 -0.80 -0.55 0.00 0.00 175.29 174.78 2br4 s ASN 8 N -0.84 6.41 -0.15 6.67 0.01 -1.26 -4.93 114.94 120.84 2br4 s ASN 8 Ca -0.02 0.47 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 2br4 s ASN 8 Cb -0.06 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.58 2br4 s ASN 8 CO 0.00 -0.05 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.00 2br4 s PHE 9 N -1.88 2.41 0.78 2.20 0.40 -1.26 -5.12 117.98 115.51 2br4 s PHE 9 Ca 0.40 -1.32 -0.13 0.00 -0.60 0.00 0.00 56.93 55.28 2br4 s PHE 9 Cb -0.11 -1.70 0.07 0.00 0.51 0.00 0.00 43.02 41.79 2br4 s PHE 9 CO 0.29 -0.66 1.16 -0.51 0.70 0.00 0.00 175.22 176.19 2br4 s LEU 10 N 1.21 3.14 -0.34 -0.37 1.43 -1.26 -4.97 118.68 117.52 2br4 s LEU 10 Ca 0.01 2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 2br4 s LEU 10 Cb -0.14 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2br4 s LEU 10 CO -0.08 -2.40 1.07 -0.62 0.23 0.00 0.00 176.35 174.55 2br4 s ASP 11 N -2.52 6.87 0.00 2.29 -1.08 -1.26 -4.91 116.67 116.06 2br4 s ASP 11 Ca 0.69 0.94 0.15 0.00 -0.52 0.00 0.00 52.55 53.81 2br4 s ASP 11 Cb -0.24 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.33 2br4 s ASP 11 CO 0.50 -0.92 1.48 0.18 0.52 0.00 0.00 175.17 176.93 2br4 n LEU 12 N 6.97 0.00 0.30 -1.34 4.77 -1.26 -1.83 117.00 124.61 2br4 n LEU 12 Ca 0.11 0.49 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 2br4 n LEU 12 Cb 0.47 -0.49 0.93 0.00 -2.33 0.00 0.00 43.42 42.00 2br4 n LEU 12 CO 0.60 -0.24 1.10 0.78 -1.33 0.00 0.00 177.39 178.31 2br4 h ASN 13 N 0.00 0.00 -0.74 -1.43 2.35 -2.01 -2.25 115.58 111.50 2br4 h ASN 13 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 55.96 2br4 h ASN 13 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2br4 h ASN 13 CO 0.00 0.03 0.53 -0.07 -1.65 0.00 0.00 177.43 176.27 2br4 h LEU 14 N 0.00 0.00 -3.15 1.61 4.07 -1.78 -2.32 115.31 113.74 2br4 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2br4 h LEU 14 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2br4 h LEU 14 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 2br4 n PHE 15 N -4.31 1.41 -1.64 1.13 3.01 -0.85 -4.92 117.46 111.29 2br4 n PHE 15 Ca 0.15 -0.63 -0.48 0.00 1.01 0.00 0.00 57.45 57.50 2br4 n PHE 15 Cb 0.81 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 2br4 n PHE 15 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2br4 n ARG 16 N 0.98 2.03 -1.33 -1.08 0.00 -0.88 -1.96 116.66 114.41 2br4 n ARG 16 Ca 0.25 0.71 -0.13 0.00 -0.00 0.00 0.00 57.85 58.68 2br4 n ARG 16 Cb 0.88 -2.69 -0.06 0.00 0.00 0.00 0.00 32.46 30.59 2br4 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2br4 n GLY 17 N 4.83 1.23 0.92 5.14 0.00 -1.26 -4.73 105.19 111.32 2br4 n GLY 17 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 2br4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br4 n LEU 18 N -1.59 0.53 0.00 0.99 4.77 -0.83 -5.10 117.00 115.77 2br4 n LEU 18 Ca -0.13 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2br4 n LEU 18 Cb 0.54 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2br4 n LEU 18 CO 0.20 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2br4 n GLY 19 N 2.96 1.44 0.09 -0.72 0.00 -1.01 -4.87 105.19 103.08 2br4 n GLY 19 Ca -0.05 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.72 2br4 n GLY 19 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2br4 h GLU 20 N 0.00 0.21 -3.75 1.61 4.81 -1.98 -3.43 114.58 112.04 2br4 h GLU 20 Ca 0.00 -0.35 -0.47 0.00 -0.13 0.00 0.00 59.36 58.40 2br4 h GLU 20 Cb 0.00 0.13 -0.38 0.00 0.63 0.00 0.00 28.75 29.13 2br4 h GLU 20 CO 0.00 1.16 -0.77 0.34 -0.73 0.00 0.00 179.01 179.01 2br4 s ASP 21 N -7.03 2.05 0.52 1.04 -1.08 -1.26 -5.02 116.67 105.88 2br4 s ASP 21 Ca -0.03 -0.32 0.34 0.00 -0.52 0.00 0.00 52.55 52.02 2br4 s ASP 21 Cb 0.08 -0.55 1.56 0.00 -1.46 0.00 0.00 42.92 42.55 2br4 s ASP 21 CO 0.87 -0.21 2.02 1.55 0.52 0.00 0.00 175.17 179.91 2br4 h PRO 22 N 8.28 0.00 -6.85 4.34 0.13 -1.92 -3.43 132.00 132.55 2br4 h PRO 22 Ca -0.20 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.43 2br4 h PRO 22 Cb 1.12 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.27 2br4 h PRO 22 CO 0.30 0.00 0.46 0.00 -0.23 0.00 0.00 178.00 178.53 2br4 s ALA 23 N -3.72 3.32 0.16 -0.56 0.00 -1.26 -4.36 121.76 115.34 2br4 s ALA 23 Ca -0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 2br4 s ALA 23 Cb 0.10 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2br4 s ALA 23 CO 0.46 -0.18 1.04 -0.47 0.00 0.00 0.00 175.76 176.61 2br4 s TYR 24 N -1.29 3.69 -0.07 0.00 5.04 -1.26 -4.89 117.35 118.57 2br4 s TYR 24 Ca 0.48 1.69 0.01 0.00 -2.44 0.00 0.00 57.07 56.81 2br4 s TYR 24 Cb -0.29 -3.18 0.02 0.00 0.35 0.00 0.00 41.96 38.85 2br4 s TYR 24 CO 0.38 -0.26 -0.08 -1.01 -1.34 0.00 0.00 175.55 173.23 2br4 s HIS 25 N -0.24 1.19 0.29 4.97 3.76 -1.26 -5.00 115.29 119.00 2br4 s HIS 25 Ca 0.48 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.65 2br4 s HIS 25 Cb -0.27 -0.95 -0.13 0.00 1.11 0.00 0.00 32.58 32.33 2br4 s HIS 25 CO 0.33 -0.29 1.29 -2.30 -0.85 0.00 0.00 174.74 172.91 2br4 n PRO 26 N 4.16 1.93 -1.61 8.40 -0.02 -1.26 -4.93 135.00 141.68 2br4 n PRO 26 Ca -0.21 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 2br4 n PRO 26 Cb 0.51 -2.25 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 2br4 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2br4 s PRO 27 N -1.21 2.40 -0.06 0.52 0.04 -1.26 -5.04 135.00 130.40 2br4 s PRO 27 Ca 0.61 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.46 2br4 s PRO 27 Cb -0.63 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2br4 s PRO 27 CO 0.57 -1.64 -0.14 0.08 0.04 0.00 0.00 177.00 175.91 2br4 s VAL 28 N -1.87 1.22 0.57 -0.36 1.01 -1.26 -5.14 120.40 114.57 2br4 s VAL 28 Ca 0.75 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2br4 s VAL 28 Cb -0.30 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2br4 s VAL 28 CO 0.42 0.37 1.08 -0.76 0.00 0.00 0.00 175.10 176.20 2br4 s LEU 29 N 0.44 3.61 0.02 3.92 2.01 -1.26 -4.84 118.68 122.59 2br4 s LEU 29 Ca -0.11 1.95 0.00 0.00 0.01 0.00 0.00 54.13 55.98 2br4 s LEU 29 Cb -0.14 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.51 2br4 s LEU 29 CO 0.03 -1.17 0.00 0.35 1.01 0.00 0.00 176.35 176.57 2br4 n THR 30 N -1.70 0.17 -1.04 5.49 -2.24 -1.26 -4.85 114.28 108.84 2br4 n THR 30 Ca 0.10 0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 2br4 n THR 30 Cb 0.52 -1.36 0.16 0.00 -2.10 0.00 0.00 70.33 67.55 2br4 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br4 n ASP 31 N -3.02 3.97 -3.61 3.42 5.75 -1.26 -4.89 116.55 116.91 2br4 n ASP 31 Ca 0.00 -3.48 -0.09 0.00 -0.01 0.00 0.00 54.79 51.22 2br4 n ASP 31 Cb 0.35 -0.82 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 2br4 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br4 s ARG 32 N -3.03 0.48 0.62 0.11 1.04 -1.26 -5.08 118.95 111.82 2br4 s ARG 32 Ca 0.52 0.25 -0.17 0.00 -1.04 0.00 0.00 55.73 55.30 2br4 s ARG 32 Cb 0.44 0.23 -0.02 0.00 -2.04 0.00 0.00 34.95 33.55 2br4 s ARG 32 CO 0.09 -0.12 1.12 -1.25 -0.04 0.00 0.00 175.30 175.10 2br4 s PRO 33 N -0.65 2.99 0.19 3.89 0.04 -1.26 -4.86 135.00 135.34 2br4 s PRO 33 Ca 0.01 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 2br4 s PRO 33 Cb -0.02 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2br4 s PRO 33 CO -0.03 -1.12 1.50 -0.09 0.04 0.00 0.00 177.00 177.31 2br4 h ARG 34 N 0.45 0.54 -4.27 4.56 2.43 -2.01 -3.39 114.38 112.69 2br4 h ARG 34 Ca -0.48 -0.35 -0.74 0.00 -0.81 0.00 0.00 59.98 57.60 2br4 h ARG 34 Cb 1.25 0.04 -0.23 0.00 -0.42 0.00 0.00 29.97 30.61 2br4 h ARG 34 CO 0.55 0.96 -0.32 -0.51 -1.51 0.00 0.00 179.97 179.14 2br4 s ASP 35 N -6.92 6.11 -0.18 -3.80 1.01 -1.26 -5.05 116.67 106.57 2br4 s ASP 35 Ca -0.07 -1.44 -0.18 0.00 0.71 0.00 0.00 52.55 51.56 2br4 s ASP 35 Cb 0.11 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 2br4 s ASP 35 CO 0.84 -0.68 0.52 0.86 0.21 0.00 0.00 175.17 176.92 2br4 s TRP 36 N 1.61 3.41 0.31 4.23 -0.11 -1.26 -5.05 118.94 122.07 2br4 s TRP 36 Ca 0.04 0.81 -0.29 0.00 1.22 0.00 0.00 56.10 57.88 2br4 s TRP 36 Cb -0.25 -2.65 -0.10 0.00 -1.50 0.00 0.00 33.47 28.97 2br4 s TRP 36 CO 0.05 -0.04 1.29 -1.25 -4.62 0.00 0.00 176.95 172.38 2br4 s PRO 37 N 1.41 4.38 0.22 5.86 0.04 -1.26 -4.92 135.00 140.73 2br4 s PRO 37 Ca 0.25 2.16 0.26 0.00 0.04 0.00 0.00 61.00 63.71 2br4 s PRO 37 Cb -0.15 -3.10 0.84 0.00 0.04 0.00 0.00 34.50 32.13 2br4 s PRO 37 CO 0.10 -0.17 1.77 1.28 0.04 0.00 0.00 177.00 180.02 2br4 n LEU 38 N 1.14 0.79 0.25 -3.56 4.32 -1.26 -2.09 117.00 116.60 2br4 n LEU 38 Ca 0.01 0.59 0.13 0.00 -0.02 0.00 0.00 56.01 56.72 2br4 n LEU 38 Cb 0.42 -0.36 0.57 0.00 -1.62 0.00 0.00 43.42 42.43 2br4 n LEU 38 CO 0.59 -0.24 0.90 -2.24 -1.22 0.00 0.00 177.39 175.17 2br4 h ASP 39 N 0.00 0.00 -0.47 -1.43 2.03 -2.05 -3.06 116.42 111.44 2br4 h ASP 39 Ca 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2br4 h ASP 39 Cb 0.68 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.05 2br4 h ASP 39 CO 0.00 0.12 0.07 0.54 -1.03 0.00 0.00 179.24 178.94 2br4 n ARG 40 N -3.27 2.15 -0.32 4.15 5.12 -0.89 -4.84 116.66 118.76 2br4 n ARG 40 Ca 0.00 -3.11 0.07 0.00 -1.93 0.00 0.00 57.85 52.88 2br4 n ARG 40 Cb 0.36 -1.90 0.23 0.00 -1.16 0.00 0.00 32.46 29.99 2br4 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2br4 h TRP 41 N 1.19 0.95 0.00 -1.55 7.01 -1.50 -2.27 115.95 119.79 2br4 h TRP 41 Ca 0.26 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.30 2br4 h TRP 41 Cb 1.87 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 28.64 2br4 h TRP 41 CO 1.07 0.32 0.00 0.00 -2.79 0.00 0.00 178.44 177.04 2br4 h ALA 42 N 1.54 1.00 -0.32 2.65 0.00 -1.88 -2.98 119.26 119.27 2br4 h ALA 42 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2br4 h ALA 42 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2br4 h ALA 42 CO -0.30 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.34 2br4 n GLU 43 N -2.78 2.14 -2.50 0.00 1.02 -0.85 -4.94 120.64 112.73 2br4 n GLU 43 Ca 0.02 -1.73 -0.40 0.00 -0.02 0.00 0.00 57.16 55.03 2br4 n GLU 43 Cb 0.36 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 2br4 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br4 s ALA 44 N -1.59 3.40 0.59 0.62 0.00 -1.13 -4.99 121.76 118.66 2br4 s ALA 44 Ca 0.35 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 2br4 s ALA 44 Cb 0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2br4 s ALA 44 CO 0.28 -0.14 1.29 -1.25 0.00 0.00 0.00 175.76 175.94 2br4 s PRO 45 N -1.33 2.94 0.02 0.00 0.04 -1.26 -4.95 135.00 130.46 2br4 s PRO 45 Ca 0.45 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.76 2br4 s PRO 45 Cb -0.31 -2.05 -0.25 0.00 0.04 0.00 0.00 34.50 31.93 2br4 s PRO 45 CO 0.40 -1.29 0.59 0.54 0.04 0.00 0.00 177.00 177.28 2br4 n ARG 46 N -1.42 0.65 -1.30 4.56 5.12 -1.26 -4.98 116.66 118.04 2br4 n ARG 46 Ca 0.13 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.67 2br4 n ARG 46 Cb 0.47 -1.60 0.16 0.00 -1.16 0.00 0.00 32.46 30.33 2br4 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br4 s ASP 47 N -4.84 2.98 0.23 0.55 1.47 -1.26 -4.95 116.67 110.85 2br4 s ASP 47 Ca -0.06 1.13 -0.08 0.00 1.18 0.00 0.00 52.55 54.72 2br4 s ASP 47 Cb 0.12 -1.77 0.21 0.00 -0.34 0.00 0.00 42.92 41.14 2br4 s ASP 47 CO 0.87 -2.90 1.90 0.25 0.68 0.00 0.00 175.17 175.97 2br4 h LEU 48 N -1.74 1.03 0.00 2.11 5.85 -2.02 -3.46 115.31 117.08 2br4 h LEU 48 Ca -0.53 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2br4 h LEU 48 Cb 1.33 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2br4 h LEU 48 CO 0.59 0.75 0.00 0.61 -0.34 0.00 0.00 178.44 180.05 2br4 n GLY 49 N -1.33 0.81 3.44 3.75 0.00 -1.26 -5.03 105.19 105.57 2br4 n GLY 49 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2br4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br4 s TYR 50 N -2.23 1.07 0.19 1.61 -0.85 -1.26 -4.42 117.35 111.46 2br4 s TYR 50 Ca 0.00 -1.28 -0.30 0.00 -0.52 0.00 0.00 57.07 54.97 2br4 s TYR 50 Cb 0.00 -0.19 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 2br4 s TYR 50 CO 0.00 -1.02 1.31 0.45 -1.52 0.00 0.00 175.55 174.77 2br4 s SER 51 N -3.22 6.90 -0.01 -0.18 0.15 -1.26 -4.92 113.70 111.16 2br4 s SER 51 Ca 0.32 2.38 0.15 0.00 0.70 0.00 0.00 55.95 59.49 2br4 s SER 51 Cb 0.01 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 62.15 2br4 s SER 51 CO 0.19 -0.53 1.35 -0.90 1.20 0.00 0.00 173.24 174.55 2br4 n ASP 52 N 2.79 2.68 -4.63 5.45 3.85 -1.26 -4.72 116.55 120.71 2br4 n ASP 52 Ca 0.07 -2.04 -0.43 0.00 -0.71 0.00 0.00 54.79 51.68 2br4 n ASP 52 Cb 0.43 -0.34 -0.02 0.00 -1.35 0.00 0.00 41.12 39.83 2br4 n ASP 52 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2br4 s PHE 53 N -1.40 2.71 -1.27 2.11 2.19 -1.26 -4.51 117.98 116.56 2br4 s PHE 53 Ca 0.33 0.90 -0.28 0.00 0.33 0.00 0.00 56.93 58.20 2br4 s PHE 53 Cb 0.17 -3.84 0.03 0.00 -1.31 0.00 0.00 43.02 38.08 2br4 s PHE 53 CO 0.21 -1.70 0.57 0.45 1.83 0.00 0.00 175.22 176.59 2br4 n SER 54 N 7.47 -3.29 -0.97 6.13 2.88 -1.26 -4.87 113.62 119.71 2br4 n SER 54 Ca 0.15 -1.28 0.08 0.00 -1.33 0.00 0.00 58.87 56.48 2br4 n SER 54 Cb 0.46 -1.79 0.22 0.00 -0.75 0.00 0.00 64.21 62.36 2br4 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br4 n PRO 55 N -4.93 2.29 -3.40 -1.46 -0.04 -1.26 -4.96 135.00 121.24 2br4 n PRO 55 Ca -0.15 -1.81 -0.32 0.00 -0.04 0.00 0.00 63.50 61.17 2br4 n PRO 55 Cb 0.59 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 2br4 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br4 s TYR 56 N -1.42 3.44 0.19 0.54 1.51 -1.26 -4.99 117.35 115.36 2br4 s TYR 56 Ca 0.33 0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 57.27 2br4 s TYR 56 Cb 0.18 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2br4 s TYR 56 CO 0.21 0.28 0.17 1.14 -1.11 0.00 0.00 175.55 176.25 2br4 s GLN 57 N -2.73 1.19 -0.22 -0.62 -2.07 -1.26 -1.29 119.66 112.66 2br4 s GLN 57 Ca 0.47 -1.50 -0.04 0.00 -1.82 0.00 0.00 55.36 52.46 2br4 s GLN 57 Cb -0.12 0.30 0.09 0.00 -1.09 0.00 0.00 33.01 32.20 2br4 s GLN 57 CO 0.21 -0.40 0.19 -0.46 -1.32 0.00 0.00 175.29 173.50 2br4 s TRP 58 N -4.10 -0.11 -1.42 9.60 -0.11 0.30 -4.79 118.94 118.30 2br4 s TRP 58 Ca 0.32 -0.09 -0.06 0.00 1.22 0.00 0.00 56.10 57.50 2br4 s TRP 58 Cb 0.06 -0.52 0.04 0.00 -1.50 0.00 0.00 33.47 31.55 2br4 s TRP 58 CO 0.09 -0.64 0.77 0.54 -4.62 0.00 0.00 176.95 173.08 2br4 n ARG 59 N 5.30 -4.83 -0.93 5.86 1.74 -1.26 -1.94 116.66 120.60 2br4 n ARG 59 Ca -0.06 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2br4 n ARG 59 Cb 0.48 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 2br4 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 60 N -1.67 0.69 3.56 -0.13 0.00 -1.26 -5.02 105.19 101.35 2br4 n GLY 60 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2br4 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br4 s LEU 61 N 0.00 3.28 0.32 0.99 1.43 -0.82 -4.26 118.68 119.61 2br4 s LEU 61 Ca 0.00 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 2br4 s LEU 61 Cb 0.00 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.35 2br4 s LEU 61 CO 0.00 0.27 1.50 0.54 0.23 0.00 0.00 176.35 178.89 2br4 n ARG 62 N 2.87 2.54 -3.99 1.70 1.74 -1.26 -0.54 116.66 119.71 2br4 n ARG 62 Ca -0.18 0.90 -0.30 0.00 -0.77 0.00 0.00 57.85 57.50 2br4 n ARG 62 Cb 0.53 -2.62 -0.16 0.00 -1.02 0.00 0.00 32.46 29.18 2br4 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br4 s MET 63 N -1.14 2.06 -0.06 5.56 -1.94 -0.41 -3.50 119.30 119.87 2br4 s MET 63 Ca 0.60 -0.57 0.08 0.00 -1.71 0.00 0.00 55.69 54.10 2br4 s MET 63 Cb -0.52 -2.09 0.35 0.00 2.01 0.00 0.00 34.83 34.59 2br4 s MET 63 CO 0.55 -0.30 1.17 1.28 -0.01 0.00 0.00 175.02 177.71 2br4 n LEU 64 N 4.79 2.64 -4.53 -0.03 4.77 -1.26 -4.26 117.00 119.12 2br4 n LEU 64 Ca -0.15 -1.33 -0.36 0.00 -0.03 0.00 0.00 56.01 54.14 2br4 n LEU 64 Cb 0.49 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 2br4 n LEU 64 CO 0.20 0.45 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.91 2br4 s LYS 65 N -1.70 3.80 0.64 3.23 1.02 -1.26 -5.10 119.74 120.37 2br4 s LYS 65 Ca 0.25 -0.41 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 2br4 s LYS 65 Cb 0.16 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2br4 s LYS 65 CO 0.11 -0.04 1.03 0.16 -0.92 0.00 0.00 175.35 175.69 2br4 s ASP 66 N 1.24 5.85 0.41 2.83 3.84 -1.26 -4.77 116.67 124.82 2br4 s ASP 66 Ca 0.05 1.21 0.17 0.00 -0.00 0.00 0.00 52.55 53.98 2br4 s ASP 66 Cb -0.14 -2.17 1.07 0.00 -1.38 0.00 0.00 42.92 40.30 2br4 s ASP 66 CO 0.04 -1.06 1.86 -0.65 -0.00 0.00 0.00 175.17 175.36 2br4 h PRO 67 N -0.41 0.41 -0.35 2.11 0.11 -1.99 -0.66 132.00 131.22 2br4 h PRO 67 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2br4 h PRO 67 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2br4 h PRO 67 CO 0.63 0.27 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.92 2br4 h ASP 68 N 0.42 0.81 -0.52 -2.05 5.19 -1.92 -1.52 116.42 116.83 2br4 h ASP 68 Ca 0.47 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2br4 h ASP 68 Cb 1.14 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2br4 h ASP 68 CO -0.18 1.07 0.24 0.74 -3.12 0.00 0.00 179.24 177.99 2br4 h THR 69 N 0.65 1.20 -0.87 0.35 2.02 -1.43 -2.60 112.91 112.23 2br4 h THR 69 Ca 0.07 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.75 2br4 h THR 69 Cb 0.87 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 2br4 h THR 69 CO 0.08 0.22 0.57 1.56 0.37 0.00 0.00 175.52 178.32 2br4 h GLN 70 N 0.69 0.95 -0.59 6.66 4.20 -1.15 -1.51 115.11 124.35 2br4 h GLN 70 Ca 0.18 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2br4 h GLN 70 Cb 0.13 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2br4 h GLN 70 CO -0.02 0.63 0.17 0.00 -0.67 0.00 0.00 178.83 178.93 2br4 h ALA 71 N 1.53 0.78 0.20 3.87 0.00 -1.11 -1.35 119.26 123.17 2br4 h ALA 71 Ca 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2br4 h ALA 71 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2br4 h ALA 71 CO -0.14 0.47 -0.10 0.28 0.00 0.00 0.00 179.25 179.77 2br4 h VAL 72 N 0.85 0.87 0.00 0.00 2.07 -1.04 -2.67 116.25 116.34 2br4 h VAL 72 Ca 0.19 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2br4 h VAL 72 Cb 0.32 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2br4 h VAL 72 CO -0.00 0.08 -0.09 1.88 0.02 0.00 0.00 177.57 179.45 2br4 h TYR 73 N -0.43 0.00 0.04 1.57 0.99 -1.22 -0.93 116.97 116.99 2br4 h TYR 73 Ca -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2br4 h TYR 73 Cb 0.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.06 2br4 h TYR 73 CO -0.02 0.09 -0.02 1.25 -0.00 0.00 0.00 178.16 179.47 2br4 h HIS 74 N 0.00 -0.05 -0.79 4.88 2.76 -1.14 -0.82 115.15 119.99 2br4 h HIS 74 Ca -0.00 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2br4 h HIS 74 Cb 0.20 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 2br4 h HIS 74 CO 0.00 0.34 0.49 -0.44 -1.30 0.00 0.00 177.93 177.02 2br4 h ASP 75 N -0.46 0.77 -0.29 3.26 3.32 -1.10 -0.59 116.42 121.33 2br4 h ASP 75 Ca -0.01 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2br4 h ASP 75 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2br4 h ASP 75 CO 0.01 0.50 -0.11 -0.03 -1.72 0.00 0.00 179.24 177.90 2br4 h MET 76 N 0.91 0.59 -0.85 3.56 4.05 -1.12 -1.83 114.93 120.23 2br4 h MET 76 Ca 0.34 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2br4 h MET 76 Cb 0.12 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 2br4 h MET 76 CO -0.16 0.81 0.49 -0.07 0.23 0.00 0.00 176.91 178.21 2br4 h LEU 77 N 0.35 1.03 -1.16 3.39 4.07 -0.93 -0.65 115.31 121.41 2br4 h LEU 77 Ca 0.07 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 2br4 h LEU 77 Cb 0.61 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2br4 h LEU 77 CO 0.04 0.81 -0.34 -0.25 -1.08 0.00 0.00 178.44 177.61 2br4 h TRP 78 N 1.18 0.00 0.02 1.13 2.91 -0.74 -1.41 115.95 119.04 2br4 h TRP 78 Ca 0.30 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 60.13 2br4 h TRP 78 Cb -0.02 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.61 2br4 h TRP 78 CO 0.01 0.34 -1.02 1.49 -1.03 0.00 0.00 178.44 178.22 2br4 h GLU 79 N 0.00 0.05 0.15 2.65 4.81 -1.05 -3.41 114.58 117.78 2br4 h GLU 79 Ca -0.00 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 58.83 2br4 h GLU 79 Cb 0.76 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2br4 h GLU 79 CO 0.04 1.04 -1.56 1.25 -0.73 0.00 0.00 179.01 179.06 2br4 h LEU 80 N -0.86 0.49 -2.90 1.64 6.46 -1.19 -3.49 115.31 115.47 2br4 h LEU 80 Ca -0.27 -0.66 -0.31 0.00 -0.12 0.00 0.00 57.88 56.52 2br4 h LEU 80 Cb 1.33 -0.16 0.10 0.00 -0.73 0.00 0.00 40.66 41.20 2br4 h LEU 80 CO -0.11 1.54 -0.78 0.54 -0.62 0.00 0.00 178.44 179.01 2br4 n ARG 81 N -3.51 -1.56 -2.07 1.25 1.74 -0.53 -4.80 116.66 107.17 2br4 n ARG 81 Ca -0.18 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.26 2br4 n ARG 81 Cb 1.06 -4.76 -0.02 0.00 -1.02 0.00 0.00 32.46 27.72 2br4 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br4 s PRO 82 N -4.97 4.32 0.33 5.56 0.04 -1.26 -4.56 135.00 134.45 2br4 s PRO 82 Ca 0.37 2.26 0.19 0.00 0.04 0.00 0.00 61.00 63.86 2br4 s PRO 82 Cb -0.10 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.53 2br4 s PRO 82 CO 0.81 -0.26 1.45 0.00 0.04 0.00 0.00 177.00 179.04 2br4 h ARG 83 N 3.69 0.00 -4.24 4.56 2.47 -1.10 -3.39 114.38 116.37 2br4 h ARG 83 Ca -0.48 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 57.89 2br4 h ARG 83 Cb 1.23 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.25 2br4 h ARG 83 CO 0.68 0.23 -0.76 0.99 0.56 0.00 0.00 179.97 181.67 2br4 s THR 84 N -3.10 0.43 -0.15 2.04 2.01 -1.02 -0.05 115.64 115.79 2br4 s THR 84 Ca 0.04 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 2br4 s THR 84 Cb 0.07 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.22 2br4 s THR 84 CO 0.72 0.14 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.08 2br4 s ILE 85 N 0.13 1.26 -0.16 1.82 1.01 -0.37 -1.57 121.20 123.32 2br4 s ILE 85 Ca -0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2br4 s ILE 85 Cb -0.05 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2br4 s ILE 85 CO -0.00 0.26 0.08 -0.69 0.00 0.00 0.00 174.94 174.58 2br4 s VAL 86 N 1.59 4.92 -0.27 2.92 1.01 -0.03 -0.57 120.40 129.96 2br4 s VAL 86 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2br4 s VAL 86 Cb -0.14 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.12 2br4 s VAL 86 CO -0.08 0.50 -0.03 -1.61 0.00 0.00 0.00 175.10 173.88 2br4 s GLU 87 N 0.01 1.63 -0.14 2.72 0.41 -0.05 -1.52 118.70 121.77 2br4 s GLU 87 Ca 0.07 -1.30 -0.29 0.00 -0.41 0.00 0.00 54.97 53.04 2br4 s GLU 87 Cb -0.12 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.47 2br4 s GLU 87 CO 0.01 -0.72 1.18 -0.51 -0.49 0.00 0.00 175.26 174.73 2br4 s LEU 88 N 1.23 4.20 0.00 1.80 1.43 -0.19 -1.56 118.68 125.60 2br4 s LEU 88 Ca -0.01 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 2br4 s LEU 88 Cb -0.19 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2br4 s LEU 88 CO -0.08 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.45 2br4 n GLY 89 N 3.43 -1.71 0.13 -3.19 0.00 0.24 -0.72 105.19 103.38 2br4 n GLY 89 Ca 0.12 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 2br4 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br4 n VAL 90 N 0.71 1.48 0.00 1.61 0.31 -1.25 -4.81 118.33 116.37 2br4 n VAL 90 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2br4 n VAL 90 Cb 0.00 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2br4 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br4 n TYR 91 N -3.30 0.00 0.20 3.52 9.36 -1.26 -2.02 117.16 123.66 2br4 n TYR 91 Ca -0.46 0.00 0.05 0.00 3.32 0.00 0.00 57.90 60.81 2br4 n TYR 91 Cb 0.98 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.77 2br4 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br4 n ASN 92 N 6.46 2.21 0.00 2.98 6.94 -1.26 -2.58 115.26 130.01 2br4 n ASN 92 Ca 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 2br4 n ASN 92 Cb 0.00 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2br4 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br4 n GLY 93 N 0.50 0.82 0.26 4.83 0.00 -0.86 -1.87 105.19 108.88 2br4 n GLY 93 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2br4 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br4 h GLY 94 N 0.00 -0.41 2.00 -0.02 0.00 -1.77 -1.94 103.07 100.93 2br4 h GLY 94 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 2br4 h GLY 94 CO 0.00 -0.20 -0.26 1.48 0.00 0.00 0.00 176.54 177.56 2br4 h SER 95 N -0.42 0.00 0.59 0.19 4.64 -1.86 -1.53 113.55 115.16 2br4 h SER 95 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2br4 h SER 95 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2br4 h SER 95 CO -0.13 0.26 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.74 2br4 h LEU 96 N 0.00 -0.68 -1.28 5.97 4.07 -1.79 -0.55 115.31 121.05 2br4 h LEU 96 Ca -0.00 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.96 2br4 h LEU 96 Cb 0.62 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 2br4 h LEU 96 CO 0.03 -0.41 0.49 0.00 -1.08 0.00 0.00 178.44 177.47 2br4 h ALA 97 N -0.56 1.50 -0.44 1.53 0.00 -1.19 -1.33 119.26 118.77 2br4 h ALA 97 Ca -0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2br4 h ALA 97 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2br4 h ALA 97 CO 0.13 0.46 -0.13 2.35 0.00 0.00 0.00 179.25 182.07 2br4 h TRP 98 N 0.98 0.97 -0.60 0.00 7.01 -1.25 0.37 115.95 123.43 2br4 h TRP 98 Ca 0.28 -0.22 -0.09 0.00 2.11 0.00 0.00 58.89 60.97 2br4 h TRP 98 Cb -0.08 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 2br4 h TRP 98 CO -0.00 0.97 0.01 0.74 -2.79 0.00 0.00 178.44 177.37 2br4 h PHE 99 N 0.68 1.14 -0.27 2.65 0.05 -0.65 -0.59 116.94 119.95 2br4 h PHE 99 Ca 0.11 -0.19 -0.07 0.00 3.82 0.00 0.00 57.97 61.63 2br4 h PHE 99 Cb 0.67 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 38.32 2br4 h PHE 99 CO 0.05 1.01 -0.10 -0.09 -0.18 0.00 0.00 178.31 178.99 2br4 h ARG 100 N 0.94 0.54 -0.20 1.51 1.12 -1.17 -2.50 114.38 114.63 2br4 h ARG 100 Ca 0.17 -0.23 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2br4 h ARG 100 Cb 0.55 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 2br4 h ARG 100 CO 0.03 0.78 0.08 -0.44 -3.11 0.00 0.00 179.97 177.31 2br4 h ASP 101 N 0.28 0.27 0.13 -3.80 3.32 -0.82 -1.90 116.42 113.91 2br4 h ASP 101 Ca 0.06 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2br4 h ASP 101 Cb 0.60 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 2br4 h ASP 101 CO 0.03 0.35 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.63 2br4 h LEU 102 N 0.17 -0.58 -1.80 1.55 -0.00 -1.13 -1.60 115.31 111.93 2br4 h LEU 102 Ca 0.07 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 2br4 h LEU 102 Cb 0.16 0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2br4 h LEU 102 CO -0.01 -0.29 0.07 0.71 -0.00 0.00 0.00 178.44 178.92 2br4 h THR 103 N -0.40 1.06 -0.36 0.22 1.35 -1.42 -1.84 112.91 111.52 2br4 h THR 103 Ca 0.02 -0.16 -0.16 0.00 -0.55 0.00 0.00 66.41 65.56 2br4 h THR 103 Cb 0.41 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2br4 h THR 103 CO -0.10 0.06 -0.40 0.50 -0.25 0.00 0.00 175.52 175.34 2br4 h LYS 104 N 0.20 0.87 -0.38 4.72 3.64 -0.96 0.54 116.57 125.20 2br4 h LYS 104 Ca 0.05 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 2br4 h LYS 104 Cb 0.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2br4 h LYS 104 CO -0.01 1.10 0.02 0.82 -2.27 0.00 0.00 179.45 179.12 2br4 h ILE 105 N 0.71 1.21 -0.00 2.00 1.08 -0.50 -2.75 117.51 119.25 2br4 h ILE 105 Ca 0.06 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2br4 h ILE 105 Cb 0.98 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2br4 h ILE 105 CO 0.09 0.28 -0.05 0.23 -0.69 0.00 0.00 178.15 178.02 2br4 n MET 106 N -4.27 0.89 -1.30 2.37 2.81 -0.87 -4.90 117.12 111.85 2br4 n MET 106 Ca 0.02 -0.24 -0.04 0.00 -1.81 0.00 0.00 57.70 55.63 2br4 n MET 106 Cb 0.25 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 2br4 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br4 n GLY 107 N 1.18 0.61 3.66 3.03 0.00 -1.04 -5.02 105.19 107.60 2br4 n GLY 107 Ca 0.18 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 2br4 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br4 s ILE 108 N -2.16 5.21 -1.02 -0.61 1.01 0.16 -5.02 121.20 118.78 2br4 s ILE 108 Ca 0.00 0.63 -0.21 0.00 0.00 0.00 0.00 60.65 61.07 2br4 s ILE 108 Cb 0.00 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.85 2br4 s ILE 108 CO 0.00 0.24 1.36 -0.62 0.00 0.00 0.00 174.94 175.92 2br4 s ASP 109 N 1.15 6.59 -0.09 3.58 2.15 -1.26 -4.16 116.67 124.63 2br4 s ASP 109 Ca 0.17 -1.77 0.04 0.00 0.43 0.00 0.00 52.55 51.42 2br4 s ASP 109 Cb -0.15 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2br4 s ASP 109 CO 0.08 -1.31 -0.22 0.00 -0.17 0.00 0.00 175.17 173.55 2br4 s GLN 111 N 0.16 4.31 -0.16 0.00 -1.52 0.93 -4.90 119.66 118.48 2br4 s GLN 111 Ca -0.12 0.51 -0.05 0.00 -1.95 0.00 0.00 55.36 53.75 2br4 s GLN 111 Cb -0.16 -3.48 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 2br4 s GLN 111 CO 0.07 0.05 0.02 0.08 -0.25 0.00 0.00 175.29 175.25 2br4 s VAL 112 N 0.97 4.38 -0.06 1.09 1.01 0.22 -1.24 120.40 126.78 2br4 s VAL 112 Ca 0.27 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2br4 s VAL 112 Cb -0.16 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2br4 s VAL 112 CO 0.11 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.89 2br4 s ILE 113 N 0.22 1.54 -0.03 2.22 1.01 0.26 -1.35 121.20 125.06 2br4 s ILE 113 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2br4 s ILE 113 Cb -0.13 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2br4 s ILE 113 CO 0.02 0.44 -0.25 -0.83 0.00 0.00 0.00 174.94 174.31 2br4 s GLY 114 N 0.17 1.26 -0.06 6.18 0.00 0.37 -0.87 107.32 114.37 2br4 s GLY 114 Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.58 2br4 s GLY 114 CO 0.04 -0.81 -0.09 -0.42 0.00 0.00 0.00 173.10 171.82 2br4 s ILE 115 N -0.43 0.89 -0.09 0.90 1.01 -0.60 -1.31 121.20 121.57 2br4 s ILE 115 Ca 0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 2br4 s ILE 115 Cb -0.11 -0.84 0.07 0.00 0.01 0.00 0.00 42.46 41.58 2br4 s ILE 115 CO 0.01 0.30 0.67 -0.62 0.00 0.00 0.00 174.94 175.29 2br4 s ASP 116 N 0.78 -0.65 0.42 3.58 -1.08 -0.98 -0.59 116.67 118.15 2br4 s ASP 116 Ca -0.13 0.81 0.23 0.00 -0.52 0.00 0.00 52.55 52.94 2br4 s ASP 116 Cb -0.15 0.69 0.69 0.00 -1.46 0.00 0.00 42.92 42.69 2br4 s ASP 116 CO 0.02 -0.54 1.73 0.08 0.52 0.00 0.00 175.17 176.98 2br4 h ARG 117 N 3.40 0.00 -2.88 4.34 0.11 -1.67 -0.01 114.38 117.67 2br4 h ARG 117 Ca -0.27 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.31 2br4 h ARG 117 Cb 1.15 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.82 2br4 h ARG 117 CO 0.33 0.22 -0.76 0.34 0.10 0.00 0.00 179.97 180.21 2br4 s ASP 118 N -6.19 2.98 -0.07 0.08 2.15 -1.26 -4.58 116.67 109.78 2br4 s ASP 118 Ca 0.02 -0.99 0.12 0.00 0.43 0.00 0.00 52.55 52.14 2br4 s ASP 118 Cb 0.09 -0.28 0.46 0.00 -0.30 0.00 0.00 42.92 42.89 2br4 s ASP 118 CO 0.65 -0.40 1.32 0.18 -0.17 0.00 0.00 175.17 176.75 2br4 n LEU 119 N 5.26 3.21 0.24 -1.34 4.77 -1.26 -4.40 117.00 123.47 2br4 n LEU 119 Ca -0.06 -1.62 0.13 0.00 -0.03 0.00 0.00 56.01 54.43 2br4 n LEU 119 Cb 0.45 -0.46 0.39 0.00 -2.33 0.00 0.00 43.42 41.47 2br4 n LEU 119 CO 0.06 0.56 0.85 0.77 -1.33 0.00 0.00 177.39 178.31 2br4 h SER 120 N 2.64 0.00 0.43 -1.43 4.64 -1.94 -3.03 113.55 114.87 2br4 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br4 h SER 120 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2br4 h SER 120 CO 0.15 0.07 -0.34 0.54 -0.87 0.00 0.00 176.83 176.37 2br4 n ARG 121 N -3.14 0.36 -1.95 4.77 3.00 -1.26 -4.91 116.66 113.53 2br4 n ARG 121 Ca 0.02 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.85 57.25 2br4 n ARG 121 Cb 0.45 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.39 2br4 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br4 n GLN 123 N 5.87 2.95 -2.14 0.00 1.13 -0.78 -4.97 117.38 119.44 2br4 n GLN 123 Ca 0.16 -2.37 -0.42 0.00 -1.94 0.00 0.00 57.00 52.43 2br4 n GLN 123 Cb 0.41 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 2br4 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br4 s ILE 124 N -1.27 3.42 0.38 5.09 1.01 -1.26 -4.95 121.20 123.62 2br4 s ILE 124 Ca 0.34 0.90 -0.26 0.00 0.00 0.00 0.00 60.65 61.63 2br4 s ILE 124 Cb 0.20 -3.58 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 2br4 s ILE 124 CO 0.20 0.02 1.10 -2.65 0.00 0.00 0.00 174.94 173.62 2br4 n PRO 125 N 4.96 1.59 0.29 2.79 -0.02 -1.26 -4.86 135.00 138.50 2br4 n PRO 125 Ca 0.13 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 2br4 n PRO 125 Cb 0.42 -2.11 0.98 0.00 -0.02 0.00 0.00 33.50 32.77 2br4 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2br4 h ALA 126 N 1.91 1.43 -0.01 3.55 0.00 -2.02 -1.17 119.26 122.96 2br4 h ALA 126 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2br4 h ALA 126 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2br4 h ALA 126 CO 0.59 -0.07 -0.04 -1.13 0.00 0.00 0.00 179.25 178.60 2br4 n SER 127 N -3.59 0.71 -1.82 0.00 3.41 -1.26 -4.12 113.62 106.94 2br4 n SER 127 Ca -0.02 -1.05 -0.08 0.00 -0.26 0.00 0.00 58.87 57.46 2br4 n SER 127 Cb 0.14 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 2br4 n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2br4 n ASP 128 N -0.56 2.98 -0.45 4.04 10.43 -0.44 -4.74 116.55 127.80 2br4 n ASP 128 Ca 0.19 -3.19 0.04 0.00 2.57 0.00 0.00 54.79 54.41 2br4 n ASP 128 Cb 0.26 -0.41 0.09 0.00 1.84 0.00 0.00 41.12 42.90 2br4 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 2br4 n MET 129 N -0.63 2.09 -1.62 -1.24 2.81 -1.26 -4.86 117.12 112.41 2br4 n MET 129 Ca 0.25 -1.66 -0.51 0.00 -1.81 0.00 0.00 57.70 53.98 2br4 n MET 129 Cb 0.89 -1.20 -0.06 0.00 -0.71 0.00 0.00 33.22 32.15 2br4 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2br4 n GLU 130 N 0.35 1.40 -1.72 0.03 2.13 -1.26 -1.20 120.64 120.37 2br4 n GLU 130 Ca 0.08 0.51 -0.21 0.00 0.66 0.00 0.00 57.16 58.20 2br4 n GLU 130 Cb 0.34 -2.19 -0.08 0.00 0.27 0.00 0.00 31.44 29.78 2br4 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br4 n ASN 131 N 3.03 -5.57 -4.19 4.31 4.13 -1.26 -4.98 115.26 110.74 2br4 n ASN 131 Ca 0.19 0.43 -0.29 0.00 1.68 0.00 0.00 54.58 56.60 2br4 n ASN 131 Cb 0.21 -4.85 -0.16 0.00 -1.54 0.00 0.00 39.78 33.44 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2br4 s ILE 132 N -2.81 1.71 -0.01 2.41 1.01 -0.34 -0.61 121.20 122.55 2br4 s ILE 132 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2br4 s ILE 132 Cb 0.00 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2br4 s ILE 132 CO 0.00 0.48 -0.08 -0.89 0.00 0.00 0.00 174.94 174.45 2br4 s THR 133 N 0.03 0.68 -0.04 2.92 2.01 -0.46 -4.96 115.64 115.82 2br4 s THR 133 Ca -0.06 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.66 2br4 s THR 133 Cb -0.13 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2br4 s THR 133 CO 0.04 0.20 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.15 2br4 s LEU 134 N -0.12 2.06 -0.09 4.42 1.02 -1.26 -0.48 118.68 124.23 2br4 s LEU 134 Ca 0.02 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.69 2br4 s LEU 134 Cb -0.04 -1.34 0.02 0.00 0.02 0.00 0.00 46.19 44.85 2br4 s LEU 134 CO -0.00 0.28 -0.08 -1.00 0.02 0.00 0.00 176.35 175.57 2br4 s HIS 135 N -0.36 1.29 -0.02 0.29 3.76 -0.43 -4.97 115.29 114.85 2br4 s HIS 135 Ca 0.03 -0.55 -0.25 0.00 -0.15 0.00 0.00 55.06 54.14 2br4 s HIS 135 Cb -0.12 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 2br4 s HIS 135 CO 0.01 -0.39 0.75 -1.14 -0.85 0.00 0.00 174.74 173.13 2br4 s GLN 136 N 1.35 4.47 0.00 1.40 0.74 -1.26 -2.31 119.66 124.05 2br4 s GLN 136 Ca -0.02 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.39 2br4 s GLN 136 Cb -0.14 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.55 2br4 s GLN 136 CO -0.04 0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.24 2br4 n GLY 137 N 2.85 0.86 3.79 2.59 0.00 -0.02 -4.94 105.19 110.31 2br4 n GLY 137 Ca -0.01 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 2br4 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br4 s ASP 138 N 0.00 6.41 0.47 1.61 -1.08 -1.26 -1.81 116.67 121.01 2br4 s ASP 138 Ca 0.00 0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.76 2br4 s ASP 138 Cb 0.00 -2.13 1.13 0.00 -1.46 0.00 0.00 42.92 40.46 2br4 s ASP 138 CO 0.00 0.25 1.93 0.00 0.52 0.00 0.00 175.17 177.87 2br4 n SER 140 N -3.54 0.35 -4.29 0.00 7.64 -1.26 -4.43 113.62 108.09 2br4 n SER 140 Ca -0.01 0.61 -0.34 0.00 1.01 0.00 0.00 58.87 60.14 2br4 n SER 140 Cb 0.35 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 2br4 n SER 140 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2br4 s ASP 141 N -3.64 3.87 0.00 6.43 1.01 -1.09 -5.00 116.67 118.25 2br4 s ASP 141 Ca 0.03 -0.42 0.12 0.00 0.71 0.00 0.00 52.55 52.99 2br4 s ASP 141 Cb 0.07 -1.61 0.53 0.00 1.01 0.00 0.00 42.92 42.92 2br4 s ASP 141 CO 0.26 0.08 1.37 0.18 0.21 0.00 0.00 175.17 177.27 2br4 n LEU 142 N 4.13 0.00 -0.35 1.23 4.77 -1.26 -2.72 117.00 122.80 2br4 n LEU 142 Ca -0.19 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2br4 n LEU 142 Cb 0.52 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 2br4 n LEU 142 CO 0.29 -0.28 1.24 0.71 -1.33 0.00 0.00 177.39 178.02 2br4 h THR 143 N 0.00 1.05 -1.06 -5.08 1.35 -1.94 -2.52 112.91 104.71 2br4 h THR 143 Ca 0.00 -0.38 0.28 0.00 -0.55 0.00 0.00 66.41 65.76 2br4 h THR 143 Cb 0.19 -0.14 -0.09 0.00 -1.73 0.00 0.00 68.15 66.38 2br4 h THR 143 CO 0.00 0.20 0.69 0.74 -0.25 0.00 0.00 175.52 176.90 2br4 h THR 144 N 1.09 0.49 0.01 6.82 2.02 -1.75 -2.62 112.91 118.97 2br4 h THR 144 Ca 0.42 -0.12 -0.33 0.00 0.77 0.00 0.00 66.41 67.15 2br4 h THR 144 Cb 0.21 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 2br4 h THR 144 CO -0.19 0.06 -2.02 0.49 0.37 0.00 0.00 175.52 174.24 2br4 n PHE 145 N -4.60 0.59 0.13 3.16 3.01 -0.97 -4.14 117.46 114.64 2br4 n PHE 145 Ca 0.26 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.93 2br4 n PHE 145 Cb 0.93 -1.11 0.30 0.00 -0.01 0.00 0.00 39.48 39.59 2br4 n PHE 145 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2br4 h GLU 146 N 0.00 0.14 0.00 -1.08 5.08 -1.20 -2.87 114.58 114.66 2br4 h GLU 146 Ca -0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2br4 h GLU 146 Cb 2.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.34 2br4 h GLU 146 CO 0.05 0.49 -0.06 0.72 -1.00 0.00 0.00 179.01 179.21 2br4 n HIS 147 N -4.08 0.21 -1.79 4.33 8.25 -1.08 -4.83 115.22 116.22 2br4 n HIS 147 Ca -0.01 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 2br4 n HIS 147 Cb 0.42 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 2br4 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br4 s LEU 148 N -3.34 4.36 0.73 2.41 1.02 -1.09 -5.01 118.68 117.76 2br4 s LEU 148 Ca 0.13 2.88 -0.12 0.00 0.02 0.00 0.00 54.13 57.04 2br4 s LEU 148 Cb 0.17 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.80 2br4 s LEU 148 CO 0.56 -0.91 1.12 -0.13 0.02 0.00 0.00 176.35 177.01 2br4 s ARG 149 N 0.21 2.63 0.51 1.70 0.52 -1.26 -4.99 118.95 118.27 2br4 s ARG 149 Ca 0.67 0.37 -0.23 0.00 -0.52 0.00 0.00 55.73 56.03 2br4 s ARG 149 Cb -0.48 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 2br4 s ARG 149 CO 0.41 -1.18 1.32 0.39 0.02 0.00 0.00 175.30 176.26 2br4 n GLU 150 N -3.09 1.76 -4.45 3.54 1.02 -1.26 -5.02 120.64 113.15 2br4 n GLU 150 Ca 0.07 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.63 2br4 n GLU 150 Cb 0.58 -2.52 -0.13 0.00 -0.02 0.00 0.00 31.44 29.35 2br4 n GLU 150 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2br4 s MET 151 N -2.68 1.13 0.72 3.49 -1.94 -1.26 -5.14 119.30 113.62 2br4 s MET 151 Ca 0.68 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.65 2br4 s MET 151 Cb -0.44 -1.22 0.02 0.00 2.01 0.00 0.00 34.83 35.20 2br4 s MET 151 CO 0.52 0.30 1.07 0.00 -0.01 0.00 0.00 175.02 176.90 2br4 s ALA 152 N -0.90 2.56 0.23 3.03 0.00 -1.26 -5.06 121.76 120.36 2br4 s ALA 152 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.13 2br4 s ALA 152 Cb -0.09 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2br4 s ALA 152 CO 0.02 -1.36 -0.14 -1.01 0.00 0.00 0.00 175.76 173.27 2br4 s HIS 153 N -3.05 1.85 1.03 0.00 3.76 -1.26 -4.02 115.29 113.59 2br4 s HIS 153 Ca 0.59 -0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 2br4 s HIS 153 Cb -0.14 -0.89 0.21 0.00 1.11 0.00 0.00 32.58 32.87 2br4 s HIS 153 CO 0.55 0.41 1.08 -2.14 -0.85 0.00 0.00 174.74 173.79 2br4 s PRO 154 N -3.64 0.12 -0.02 8.40 0.02 -1.26 -4.43 135.00 134.19 2br4 s PRO 154 Ca 0.25 1.16 -0.02 0.00 0.02 0.00 0.00 61.00 62.41 2br4 s PRO 154 Cb -0.01 -1.65 0.01 0.00 0.02 0.00 0.00 34.50 32.87 2br4 s PRO 154 CO 0.09 -3.12 0.06 -1.17 -0.33 0.00 0.00 177.00 172.54 2br4 s LEU 155 N -6.86 1.60 -0.21 -5.54 0.20 -1.26 -0.65 118.68 105.96 2br4 s LEU 155 Ca 0.67 0.12 -0.02 0.00 0.69 0.00 0.00 54.13 55.59 2br4 s LEU 155 Cb -0.23 0.17 -0.00 0.00 -0.43 0.00 0.00 46.19 45.69 2br4 s LEU 155 CO 0.61 -0.04 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.90 2br4 s ILE 156 N 0.27 2.98 -0.16 6.68 1.01 -0.61 -1.67 121.20 129.70 2br4 s ILE 156 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2br4 s ILE 156 Cb -0.03 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2br4 s ILE 156 CO -0.01 0.46 -0.03 0.12 0.00 0.00 0.00 174.94 175.48 2br4 s PHE 157 N 1.38 3.02 -0.17 3.97 5.36 -0.17 -0.86 117.98 130.52 2br4 s PHE 157 Ca 0.05 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 2br4 s PHE 157 Cb -0.14 -1.97 0.04 0.00 -0.34 0.00 0.00 43.02 40.60 2br4 s PHE 157 CO -0.06 -0.08 -0.09 0.42 -1.46 0.00 0.00 175.22 173.95 2br4 s ILE 158 N 0.47 1.41 -0.43 3.12 1.01 -0.57 -1.07 121.20 125.13 2br4 s ILE 158 Ca -0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 2br4 s ILE 158 Cb -0.14 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.88 2br4 s ILE 158 CO 0.03 0.24 1.03 -0.62 0.00 0.00 0.00 174.94 175.61 2br4 s ASP 159 N 1.52 6.65 -0.06 3.58 3.68 0.60 -1.02 116.67 131.62 2br4 s ASP 159 Ca 0.01 0.48 0.08 0.00 2.13 0.00 0.00 52.55 55.26 2br4 s ASP 159 Cb -0.15 -2.51 0.13 0.00 -1.45 0.00 0.00 42.92 38.94 2br4 s ASP 159 CO -0.09 -1.07 1.01 -0.67 0.13 0.00 0.00 175.17 174.49 2br4 n ASP 160 N 7.31 1.37 -0.02 -0.34 4.64 0.10 -1.92 116.55 127.70 2br4 n ASP 160 Ca 0.09 -2.38 -0.02 0.00 -1.38 0.00 0.00 54.79 51.11 2br4 n ASP 160 Cb 0.48 -0.25 -0.03 0.00 -1.04 0.00 0.00 41.12 40.29 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2br4 n ALA 161 N -0.72 1.91 -1.44 -1.67 0.00 -1.15 -4.59 120.51 112.84 2br4 n ALA 161 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2br4 n ALA 161 Cb 0.58 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 2br4 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br4 n HIS 162 N -2.14 -0.08 -5.04 0.00 8.25 -1.26 -5.00 115.22 109.94 2br4 n HIS 162 Ca -0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 2br4 n HIS 162 Cb 0.62 -1.52 -0.16 0.00 1.12 0.00 0.00 29.99 30.05 2br4 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br4 s ALA 163 N -2.25 1.84 -1.52 -1.41 0.00 -1.26 -4.69 121.76 112.46 2br4 s ALA 163 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2br4 s ALA 163 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2br4 s ALA 163 CO 0.00 0.33 0.34 -1.71 0.00 0.00 0.00 175.76 174.72 2br4 n ASN 164 N 3.12 -5.47 -0.32 0.00 5.15 -1.26 -4.68 115.26 111.80 2br4 n ASN 164 Ca -0.18 -0.16 -0.04 0.00 -0.60 0.00 0.00 54.58 53.61 2br4 n ASN 164 Cb 0.52 -4.49 0.10 0.00 -0.53 0.00 0.00 39.78 35.39 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2br4 h THR 165 N -0.75 1.26 0.07 -0.44 2.02 -1.94 -1.86 112.91 111.27 2br4 h THR 165 Ca -0.48 -0.64 -0.25 0.00 0.77 0.00 0.00 66.41 65.82 2br4 h THR 165 Cb 1.34 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2br4 h THR 165 CO 0.54 0.29 -1.11 -0.26 0.37 0.00 0.00 175.52 175.35 2br4 h PHE 166 N 1.24 0.39 -0.28 3.16 -1.00 -1.99 -1.12 116.94 117.33 2br4 h PHE 166 Ca 0.31 -0.26 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 2br4 h PHE 166 Cb 0.03 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 2br4 h PHE 166 CO 0.01 1.17 -0.18 -0.91 -1.61 0.00 0.00 178.31 176.79 2br4 h ASN 167 N 0.08 0.50 -0.30 2.17 2.35 -1.93 -1.27 115.58 117.18 2br4 h ASN 167 Ca -0.09 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 55.34 2br4 h ASN 167 Cb 1.82 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 40.05 2br4 h ASN 167 CO 0.18 0.70 -0.47 0.40 -1.65 0.00 0.00 177.43 176.58 2br4 h ILE 168 N 0.46 1.28 -0.55 2.81 2.04 -1.28 -1.70 117.51 120.57 2br4 h ILE 168 Ca 0.08 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 2br4 h ILE 168 Cb 0.58 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2br4 h ILE 168 CO 0.04 0.54 0.10 -0.03 0.00 0.00 0.00 178.15 178.80 2br4 h MET 169 N 0.69 0.90 -0.82 2.37 4.05 -1.06 0.10 114.93 121.17 2br4 h MET 169 Ca 0.04 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2br4 h MET 169 Cb 1.07 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 2br4 h MET 169 CO 0.11 0.87 0.50 -0.22 0.23 0.00 0.00 176.91 178.39 2br4 h LYS 170 N 0.79 1.12 -0.54 0.39 3.64 -1.22 -0.96 116.57 119.79 2br4 h LYS 170 Ca 0.17 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2br4 h LYS 170 Cb 0.40 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2br4 h LYS 170 CO 0.01 0.78 0.21 2.35 -2.27 0.00 0.00 179.45 180.53 2br4 h TRP 171 N 1.13 0.82 -0.18 1.91 7.01 -0.80 -2.89 115.95 122.96 2br4 h TRP 171 Ca 0.30 -0.06 -0.13 0.00 2.11 0.00 0.00 58.89 61.10 2br4 h TRP 171 Cb -0.05 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 2br4 h TRP 171 CO -0.00 0.68 -0.45 0.00 -2.79 0.00 0.00 178.44 175.88 2br4 h ALA 172 N 1.06 0.90 -0.30 2.65 0.00 -0.38 -1.29 119.26 121.90 2br4 h ALA 172 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2br4 h ALA 172 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2br4 h ALA 172 CO -0.01 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.23 2br4 h VAL 173 N 0.36 1.22 0.01 0.00 2.07 -1.14 0.23 116.25 119.01 2br4 h VAL 173 Ca 0.02 -0.76 -0.20 0.00 0.82 0.00 0.00 66.70 66.58 2br4 h VAL 173 Cb 0.93 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2br4 h VAL 173 CO 0.08 0.25 -0.91 0.44 0.02 0.00 0.00 177.57 177.45 2br4 h ASP 174 N 0.33 0.21 0.00 0.57 3.45 -1.32 -3.38 116.42 116.28 2br4 h ASP 174 Ca 0.09 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.37 2br4 h ASP 174 Cb 0.31 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2br4 h ASP 174 CO 0.00 1.01 0.00 1.41 -1.57 0.00 0.00 179.24 180.09 2br4 n HIS 175 N -3.61 0.00 0.11 4.55 8.25 -0.50 -4.94 115.22 119.08 2br4 n HIS 175 Ca -0.03 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2br4 n HIS 175 Cb 0.83 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.93 2br4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br4 n LEU 176 N -0.08 -0.23 -4.72 2.41 7.94 -0.74 -5.01 117.00 116.58 2br4 n LEU 176 Ca 0.00 0.37 -0.42 0.00 -1.11 0.00 0.00 56.01 54.85 2br4 n LEU 176 Cb 0.12 0.39 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2br4 n LEU 176 CO 0.00 -0.68 0.90 -0.76 -1.11 0.00 0.00 177.39 175.74 2br4 s LEU 177 N -6.40 4.39 0.37 -1.96 1.43 0.74 -5.03 118.68 112.22 2br4 s LEU 177 Ca 0.00 2.09 0.08 0.00 -1.03 0.00 0.00 54.13 55.27 2br4 s LEU 177 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2br4 s LEU 177 CO 0.00 -0.47 0.12 -1.61 0.23 0.00 0.00 176.35 174.62 2br4 s GLU 178 N 0.81 2.22 0.03 1.70 2.02 -1.26 -4.89 118.70 119.33 2br4 s GLU 178 Ca 0.58 -1.74 -0.37 0.00 0.02 0.00 0.00 54.97 53.46 2br4 s GLU 178 Cb -0.31 -2.01 -0.16 0.00 0.10 0.00 0.00 34.13 31.75 2br4 s GLU 178 CO 0.31 0.02 1.43 -1.91 0.02 0.00 0.00 175.26 175.13 2br4 n GLU 179 N -1.13 1.25 0.00 1.61 2.13 -1.26 -1.69 120.64 121.55 2br4 n GLU 179 Ca -0.03 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2br4 n GLU 179 Cb 0.63 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2br4 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br4 n GLY 180 N 2.90 1.04 3.77 8.31 0.00 -0.99 -4.97 105.19 115.24 2br4 n GLY 180 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2br4 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br4 s ASP 181 N -2.52 4.89 0.01 1.61 1.01 -0.68 -4.75 116.67 116.23 2br4 s ASP 181 Ca 0.00 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.20 2br4 s ASP 181 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2br4 s ASP 181 CO 0.00 -1.78 0.02 -0.31 0.21 0.00 0.00 175.17 173.32 2br4 s TYR 182 N -2.57 3.12 -0.15 4.23 1.51 -0.67 -1.57 117.35 121.26 2br4 s TYR 182 Ca 0.65 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 2br4 s TYR 182 Cb -0.19 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2br4 s TYR 182 CO 0.47 0.49 -0.12 0.12 -1.11 0.00 0.00 175.55 175.40 2br4 s PHE 183 N -1.13 2.02 -0.16 2.71 5.36 -0.50 -0.99 117.98 125.29 2br4 s PHE 183 Ca 0.21 -1.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.03 2br4 s PHE 183 Cb -0.12 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2br4 s PHE 183 CO 0.12 -0.64 -0.14 0.42 -1.46 0.00 0.00 175.22 173.52 2br4 s ILE 184 N 1.53 1.64 -0.48 3.12 1.01 -0.23 -1.97 121.20 125.82 2br4 s ILE 184 Ca 0.04 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2br4 s ILE 184 Cb -0.13 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 40.83 2br4 s ILE 184 CO -0.10 0.41 0.48 -0.63 0.00 0.00 0.00 174.94 175.11 2br4 s ILE 185 N 1.45 5.09 0.27 2.92 1.01 -0.58 -0.29 121.20 131.07 2br4 s ILE 185 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 2br4 s ILE 185 Cb -0.13 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 2br4 s ILE 185 CO -0.10 -0.66 0.99 -1.61 0.00 0.00 0.00 174.94 173.55 2br4 s GLU 186 N 2.03 4.74 0.00 2.79 2.02 -0.81 -4.42 118.70 125.05 2br4 s GLU 186 Ca 0.08 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.62 2br4 s GLU 186 Cb -0.22 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2br4 s GLU 186 CO 0.09 0.38 0.00 -0.25 0.02 0.00 0.00 175.26 175.50 2br4 n ASP 187 N 1.23 0.00 0.01 -0.19 8.00 0.17 -4.60 116.55 121.17 2br4 n ASP 187 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 2br4 n ASP 187 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 2br4 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br4 n MET 188 N 0.00 0.63 -0.09 -1.24 1.56 -1.26 -4.38 117.12 112.34 2br4 n MET 188 Ca 0.00 0.21 -0.10 0.00 -0.27 0.00 0.00 57.70 57.54 2br4 n MET 188 Cb 0.00 -1.78 -0.03 0.00 2.15 0.00 0.00 33.22 33.57 2br4 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2br4 h ILE 189 N 0.00 1.17 -0.78 1.12 2.04 -1.81 -1.96 117.51 117.29 2br4 h ILE 189 Ca -0.20 -0.49 0.15 0.00 1.00 0.00 0.00 64.86 65.31 2br4 h ILE 189 Cb 1.68 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 2br4 h ILE 189 CO 0.05 0.17 0.52 -0.65 0.00 0.00 0.00 178.15 178.24 2br4 h PRO 190 N 0.31 0.43 0.06 2.37 0.11 -1.80 -2.28 132.00 131.21 2br4 h PRO 190 Ca 0.09 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.89 2br4 h PRO 190 Cb 0.16 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.19 2br4 h PRO 190 CO -0.01 0.29 -1.15 1.88 -0.21 0.00 0.00 178.00 178.80 2br4 h TYR 191 N 0.45 1.03 -0.49 0.65 -1.99 -1.61 -2.84 116.97 112.18 2br4 h TYR 191 Ca 0.38 -0.61 -0.11 0.00 2.00 0.00 0.00 58.73 60.40 2br4 h TYR 191 Cb 0.85 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 2br4 h TYR 191 CO -0.00 1.45 -0.13 -1.49 -0.00 0.00 0.00 178.16 177.98 2br4 h TRP 192 N 0.34 1.02 -0.31 4.88 6.55 -1.18 -1.12 115.95 126.14 2br4 h TRP 192 Ca -0.16 -0.21 -0.07 0.00 0.95 0.00 0.00 58.89 59.41 2br4 h TRP 192 Cb 1.81 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 29.84 2br4 h TRP 192 CO 0.11 0.98 -0.09 -0.92 -1.05 0.00 0.00 178.44 177.47 2br4 h TYR 193 N 0.81 0.54 0.06 0.49 3.20 -1.49 0.25 116.97 120.83 2br4 h TYR 193 Ca 0.13 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2br4 h TYR 193 Cb 0.66 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2br4 h TYR 193 CO 0.04 0.59 -0.03 -0.09 -1.64 0.00 0.00 178.16 177.03 2br4 h ARG 194 N 0.47 -0.07 0.06 1.82 2.43 -1.22 -2.95 114.38 114.92 2br4 h ARG 194 Ca 0.09 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.03 2br4 h ARG 194 Cb 0.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2br4 h ARG 194 CO 0.02 0.38 -1.10 1.88 -1.51 0.00 0.00 179.97 179.65 2br4 h TYR 195 N -0.55 0.25 -2.01 2.20 0.99 -1.16 -3.40 116.97 113.28 2br4 h TYR 195 Ca -0.01 -0.18 -0.49 0.00 2.00 0.00 0.00 58.73 60.05 2br4 h TYR 195 Cb 0.49 -0.01 -0.40 0.00 1.00 0.00 0.00 36.73 37.81 2br4 h TYR 195 CO 0.08 1.12 -1.16 0.00 -0.00 0.00 0.00 178.16 178.20 2br4 n ALA 196 N -2.44 2.17 -0.18 3.88 0.00 0.88 -4.99 120.51 119.82 2br4 n ALA 196 Ca -0.04 -3.47 -0.02 0.00 0.00 0.00 0.00 53.44 49.92 2br4 n ALA 196 Cb 0.97 -0.91 0.21 0.00 0.00 0.00 0.00 19.45 19.71 2br4 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br4 h PRO 197 N 3.08 0.93 0.37 0.00 0.13 -1.63 -0.21 132.00 134.67 2br4 h PRO 197 Ca 0.10 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2br4 h PRO 197 Cb 0.94 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2br4 h PRO 197 CO 0.51 0.72 -0.18 1.96 -0.23 0.00 0.00 178.00 180.79 2br4 h GLN 198 N 0.93 -0.47 -0.62 0.86 4.20 -1.93 -2.01 115.11 116.07 2br4 h GLN 198 Ca 0.23 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 2br4 h GLN 198 Cb 0.10 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2br4 h GLN 198 CO -0.03 -0.16 0.22 -0.07 -0.67 0.00 0.00 178.83 178.11 2br4 h LEU 199 N -0.82 0.86 -0.56 1.46 3.38 -1.94 -2.15 115.31 115.54 2br4 h LEU 199 Ca -0.05 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2br4 h LEU 199 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2br4 h LEU 199 CO 0.08 0.79 -0.21 0.15 0.09 0.00 0.00 178.44 179.34 2br4 h PHE 200 N 0.91 1.07 -0.05 1.13 3.57 -1.05 0.07 116.94 122.60 2br4 h PHE 200 Ca 0.21 -0.25 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 2br4 h PHE 200 Cb 0.22 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2br4 h PHE 200 CO 0.02 1.05 -0.66 0.77 -2.23 0.00 0.00 178.31 177.26 2br4 h SER 201 N 0.81 0.24 -0.25 0.41 0.02 -1.24 -1.91 113.55 111.64 2br4 h SER 201 Ca 0.11 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 2br4 h SER 201 Cb 0.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2br4 h SER 201 CO 0.06 0.83 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.79 2br4 h GLU 202 N 0.14 0.75 -0.08 3.45 5.08 -1.22 -1.99 114.58 120.72 2br4 h GLU 202 Ca -0.01 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2br4 h GLU 202 Cb 1.19 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2br4 h GLU 202 CO 0.10 1.11 -0.04 1.88 -1.00 0.00 0.00 179.01 181.05 2br4 h TYR 203 N 0.49 0.19 -0.64 4.33 0.99 -0.94 -1.87 116.97 119.52 2br4 h TYR 203 Ca 0.01 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 2br4 h TYR 203 Cb 1.07 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.73 2br4 h TYR 203 CO 0.08 0.54 0.22 -0.07 -0.00 0.00 0.00 178.16 178.93 2br4 h LEU 204 N -0.21 0.89 -1.87 3.88 3.38 -1.44 -2.35 115.31 117.58 2br4 h LEU 204 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2br4 h LEU 204 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2br4 h LEU 204 CO 0.01 0.82 -0.13 1.23 0.09 0.00 0.00 178.44 180.46 2br4 h GLY 205 N 1.04 0.00 2.00 0.83 0.00 -1.24 -2.33 103.07 103.37 2br4 h GLY 205 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2br4 h GLY 205 CO -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.38 2br4 h ALA 206 N 1.87 1.27 -0.43 3.60 0.00 -0.77 -2.55 119.26 122.24 2br4 h ALA 206 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2br4 h ALA 206 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2br4 h ALA 206 CO 0.02 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.64 2br4 n PHE 207 N -3.66 1.27 0.22 0.00 3.01 -0.88 -4.64 117.46 112.79 2br4 n PHE 207 Ca -0.02 -0.47 0.06 0.00 1.01 0.00 0.00 57.45 58.04 2br4 n PHE 207 Cb 0.27 -0.29 0.52 0.00 -0.01 0.00 0.00 39.48 39.96 2br4 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br4 h ARG 208 N 2.85 0.00 -0.01 -1.08 0.11 -1.56 -1.83 114.38 112.86 2br4 h ARG 208 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2br4 h ARG 208 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2br4 h ARG 208 CO 0.26 0.20 -0.28 -0.25 0.10 0.00 0.00 179.97 180.00 2br4 n ASP 209 N -4.15 1.16 -0.00 0.08 8.00 -1.26 -4.41 116.55 115.97 2br4 n ASP 209 Ca -0.02 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2br4 n ASP 209 Cb 0.27 0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2br4 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br4 n VAL 210 N -0.56 0.01 -4.11 2.53 0.24 -0.91 -4.82 118.33 110.72 2br4 n VAL 210 Ca 0.12 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.26 2br4 n VAL 210 Cb 0.36 -0.16 -0.12 0.00 -1.47 0.00 0.00 33.84 32.45 2br4 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br4 s LEU 211 N -3.48 2.22 0.11 1.34 1.43 -0.74 -1.01 118.68 118.56 2br4 s LEU 211 Ca -0.00 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2br4 s LEU 211 Cb 0.00 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 2br4 s LEU 211 CO 0.02 -0.14 -0.09 -0.94 0.23 0.00 0.00 176.35 175.43 2br4 s SER 212 N -1.40 1.44 -0.06 2.29 1.04 -0.64 -4.59 113.70 111.78 2br4 s SER 212 Ca -0.07 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.18 2br4 s SER 212 Cb -0.09 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2br4 s SER 212 CO 0.01 -0.32 0.97 -0.32 0.98 0.00 0.00 173.24 174.56 2br4 s MET 213 N -3.19 4.47 -0.69 4.02 1.75 -1.26 -1.32 119.30 123.09 2br4 s MET 213 Ca 0.09 1.35 -0.24 0.00 -1.25 0.00 0.00 55.69 55.64 2br4 s MET 213 Cb -0.00 -3.50 0.06 0.00 2.84 0.00 0.00 34.83 34.22 2br4 s MET 213 CO -0.01 -0.18 1.06 0.34 -0.65 0.00 0.00 175.02 175.58 2br4 s ASP 214 N 1.05 6.18 0.02 1.11 -1.08 -0.45 -4.90 116.67 118.60 2br4 s ASP 214 Ca 0.49 -0.87 0.17 0.00 -0.52 0.00 0.00 52.55 51.82 2br4 s ASP 214 Cb -0.19 -2.46 0.72 0.00 -1.46 0.00 0.00 42.92 39.53 2br4 s ASP 214 CO 0.22 -1.55 1.54 0.23 0.52 0.00 0.00 175.17 176.13 2br4 n MET 215 N 8.16 0.02 0.10 4.34 2.81 -1.26 -1.03 117.12 130.26 2br4 n MET 215 Ca -0.01 0.24 -0.05 0.00 -1.81 0.00 0.00 57.70 56.07 2br4 n MET 215 Cb 0.46 -1.54 0.03 0.00 -0.71 0.00 0.00 33.22 31.47 2br4 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br4 h LEU 216 N 0.00 0.07 0.00 4.03 5.85 -1.98 -3.37 115.31 119.92 2br4 h LEU 216 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2br4 h LEU 216 Cb 0.29 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2br4 h LEU 216 CO 0.00 0.85 -1.08 -1.22 -0.34 0.00 0.00 178.44 176.64 2br4 n TYR 217 N -3.62 0.00 0.25 1.25 0.53 -0.95 -4.78 117.16 109.83 2br4 n TYR 217 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.98 2br4 n TYR 217 Cb 0.77 -0.13 0.63 0.00 -1.03 0.00 0.00 39.34 39.58 2br4 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br4 h ALA 218 N 0.78 1.20 -0.29 -0.72 0.00 -1.24 -2.75 119.26 116.24 2br4 h ALA 218 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2br4 h ALA 218 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2br4 h ALA 218 CO 0.00 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 2br4 n ASN 219 N -3.57 3.20 -0.80 0.00 3.02 -1.26 -0.96 115.26 114.88 2br4 n ASN 219 Ca -0.01 -2.37 0.12 0.00 -0.03 0.00 0.00 54.58 52.29 2br4 n ASN 219 Cb 0.31 -0.33 0.27 0.00 -0.61 0.00 0.00 39.78 39.41 2br4 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br4 n ALA 220 N 0.08 2.50 -3.61 5.41 0.00 -1.04 -4.91 120.51 118.94 2br4 n ALA 220 Ca 0.14 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 2br4 n ALA 220 Cb 0.58 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2br4 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br4 s SER 221 N -1.91 -0.67 0.37 0.00 1.04 -1.26 -4.75 113.70 106.52 2br4 s SER 221 Ca 0.33 1.17 0.11 0.00 0.48 0.00 0.00 55.95 58.05 2br4 s SER 221 Cb 0.20 1.15 0.72 0.00 0.10 0.00 0.00 66.02 68.20 2br4 s SER 221 CO 0.31 -0.31 1.84 0.77 0.98 0.00 0.00 173.24 176.83 2br4 h SER 222 N 4.38 0.07 0.55 7.02 4.64 -1.95 -0.74 113.55 127.52 2br4 h SER 222 Ca -0.28 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 60.87 2br4 h SER 222 Cb 1.16 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2br4 h SER 222 CO 0.14 0.39 -0.67 1.56 -0.87 0.00 0.00 176.83 177.38 2br4 h GLN 223 N 0.07 0.10 -0.02 4.77 4.20 -1.96 -3.11 115.11 119.16 2br4 h GLN 223 Ca 0.01 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2br4 h GLN 223 Cb 0.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2br4 h GLN 223 CO 0.04 0.73 -0.15 1.28 -0.67 0.00 0.00 178.83 180.07 2br4 n LEU 224 N -3.78 2.32 -4.03 1.46 4.77 -1.07 0.41 117.00 117.09 2br4 n LEU 224 Ca -0.02 -0.79 -0.57 0.00 -0.03 0.00 0.00 56.01 54.60 2br4 n LEU 224 Cb 0.66 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 2br4 n LEU 224 CO 0.44 0.40 1.42 -0.67 -1.33 0.00 0.00 177.39 177.65 2br4 n ASP 225 N 0.62 0.81 -2.23 -1.43 2.03 -0.31 -0.72 116.55 115.32 2br4 n ASP 225 Ca 0.13 0.76 -0.16 0.00 0.52 0.00 0.00 54.79 56.05 2br4 n ASP 225 Cb 0.50 -0.82 -0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2br4 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br4 n ARG 226 N 5.90 -1.85 -0.00 -0.67 1.74 -0.14 -4.55 116.66 117.09 2br4 n ARG 226 Ca 0.44 0.82 0.01 0.00 -0.77 0.00 0.00 57.85 58.35 2br4 n ARG 226 Cb -0.04 -5.39 0.01 0.00 -1.02 0.00 0.00 32.46 26.02 2br4 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 227 N -0.78 -0.85 3.53 -0.13 0.00 0.10 -4.97 105.19 102.10 2br4 n GLY 227 Ca -0.19 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2br4 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br4 s VAL 228 N -0.22 5.13 0.13 1.61 1.01 -1.25 -1.53 120.40 125.28 2br4 s VAL 228 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2br4 s VAL 228 Cb 0.01 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2br4 s VAL 228 CO 0.02 -0.19 -0.21 -0.76 0.00 0.00 0.00 175.10 173.96 2br4 s LEU 229 N 2.09 2.36 0.14 3.92 1.43 -0.83 -1.34 118.68 126.44 2br4 s LEU 229 Ca 0.13 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2br4 s LEU 229 Cb -0.17 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2br4 s LEU 229 CO 0.12 0.05 -0.01 0.00 0.23 0.00 0.00 176.35 176.74 2br4 s ARG 230 N -2.29 0.98 0.25 1.70 1.70 -0.43 -1.41 118.95 119.45 2br4 s ARG 230 Ca 0.12 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 53.63 2br4 s ARG 230 Cb -0.08 -0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.04 2br4 s ARG 230 CO 0.06 -0.11 1.18 1.03 -1.08 0.00 0.00 175.30 176.37 2br4 s ARG 231 N -3.91 4.53 0.24 3.89 1.81 -0.61 -1.62 118.95 123.28 2br4 s ARG 231 Ca 0.19 1.91 0.07 0.00 -1.72 0.00 0.00 55.73 56.18 2br4 s ARG 231 Cb 0.06 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 2br4 s ARG 231 CO 0.00 0.02 0.19 0.54 -0.68 0.00 0.00 175.30 175.37 2br4 s VAL 232 N -0.70 4.48 -1.72 3.52 0.11 -0.18 -2.35 120.40 123.56 2br4 s VAL 232 Ca 0.49 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2br4 s VAL 232 Cb -0.34 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2br4 s VAL 232 CO 0.41 -0.31 0.43 0.00 -3.33 0.00 0.00 175.10 172.30