#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br4 h TYR 4 N 0.00 0.56 -0.15 1.24 -0.00 -2.06 -3.12 116.97 113.44 2br4 h TYR 4 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 58.73 58.45 2br4 h TYR 4 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 36.58 2br4 h TYR 4 CO 0.00 0.60 -0.72 1.03 -0.00 0.00 0.00 178.16 179.07 2br4 h SER 5 N 0.49 0.82 -2.08 0.10 0.87 -2.10 -3.28 113.55 108.37 2br4 h SER 5 Ca 0.10 -0.52 -0.80 0.00 -1.23 0.00 0.00 61.79 59.34 2br4 h SER 5 Cb 0.45 -0.24 -0.25 0.00 -0.44 0.00 0.00 62.40 61.92 2br4 h SER 5 CO 0.02 1.30 1.27 -2.11 -0.53 0.00 0.00 176.83 176.78 2br4 n ARG 6 N -3.92 5.29 -3.40 2.24 0.00 -1.18 -4.84 116.66 110.86 2br4 n ARG 6 Ca -0.06 -4.46 0.02 0.00 -0.00 0.00 0.00 57.85 53.34 2br4 n ARG 6 Cb 0.71 -2.50 -0.05 0.00 -0.00 0.00 0.00 32.46 30.63 2br4 n ARG 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2br4 s GLN 7 N -3.77 0.21 -0.05 2.89 0.74 -1.24 -4.92 119.66 113.53 2br4 s GLN 7 Ca 0.41 0.48 -0.17 0.00 0.05 0.00 0.00 55.36 56.13 2br4 s GLN 7 Cb 0.19 0.24 -0.05 0.00 1.10 0.00 0.00 33.01 34.48 2br4 s GLN 7 CO -0.12 -0.06 0.46 1.21 -0.55 0.00 0.00 175.29 176.22 2br4 s ASN 8 N 2.05 6.78 -0.13 6.67 3.84 -1.26 -4.92 114.94 127.97 2br4 s ASN 8 Ca -0.03 0.92 -0.07 0.00 0.21 0.00 0.00 52.86 53.89 2br4 s ASN 8 Cb -0.04 -2.28 -0.04 0.00 -0.55 0.00 0.00 41.25 38.34 2br4 s ASN 8 CO -0.16 0.17 0.14 -0.36 -2.79 0.00 0.00 177.10 174.10 2br4 s PHE 9 N -0.30 3.57 0.46 0.43 0.40 -1.26 -5.09 117.98 116.20 2br4 s PHE 9 Ca 0.25 0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 56.87 2br4 s PHE 9 Cb -0.16 -1.97 -0.09 0.00 0.51 0.00 0.00 43.02 41.30 2br4 s PHE 9 CO 0.12 0.68 1.03 -0.51 0.70 0.00 0.00 175.22 177.24 2br4 s LEU 10 N -0.83 3.92 -0.19 -0.37 1.43 -1.26 -5.01 118.68 116.38 2br4 s LEU 10 Ca 0.14 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 2br4 s LEU 10 Cb -0.12 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 2br4 s LEU 10 CO 0.03 -0.66 1.30 -0.62 0.23 0.00 0.00 176.35 176.63 2br4 s ASP 11 N -1.92 6.86 0.01 2.29 -1.08 -1.26 -4.90 116.67 116.67 2br4 s ASP 11 Ca 0.64 1.62 0.17 0.00 -0.52 0.00 0.00 52.55 54.46 2br4 s ASP 11 Cb -0.16 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.46 2br4 s ASP 11 CO 0.20 -0.84 1.53 0.18 0.52 0.00 0.00 175.17 176.76 2br4 n LEU 12 N 6.88 0.02 0.29 -1.34 4.32 -1.26 -2.38 117.00 123.53 2br4 n LEU 12 Ca 0.14 0.50 0.14 0.00 -0.02 0.00 0.00 56.01 56.78 2br4 n LEU 12 Cb 0.45 -0.50 0.85 0.00 -1.62 0.00 0.00 43.42 42.60 2br4 n LEU 12 CO 0.58 -0.23 1.09 0.78 -1.22 0.00 0.00 177.39 178.39 2br4 h ASN 13 N 0.00 0.00 0.11 -1.43 2.35 -2.01 -2.57 115.58 112.03 2br4 h ASN 13 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2br4 h ASN 13 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2br4 h ASN 13 CO 0.00 0.03 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.69 2br4 h LEU 14 N 0.00 0.00 -3.18 1.61 4.07 -1.89 -2.60 115.31 113.32 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 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2br4 h LEU 14 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.44 177.90 2br4 n PHE 15 N -3.85 1.72 -1.69 1.13 0.99 -0.97 -4.91 117.46 109.89 2br4 n PHE 15 Ca -0.03 -0.62 -0.43 0.00 -0.00 0.00 0.00 57.45 56.38 2br4 n PHE 15 Cb 0.13 -0.39 -0.03 0.00 -1.00 0.00 0.00 39.48 38.20 2br4 n PHE 15 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2br4 s ARG 16 N -2.32 3.57 -0.61 -1.08 3.00 -0.98 -2.06 118.95 118.47 2br4 s ARG 16 Ca 0.49 2.20 0.00 0.00 -1.00 0.00 0.00 55.73 57.42 2br4 s ARG 16 Cb 0.35 -4.26 0.00 0.00 0.00 0.00 0.00 34.95 31.04 2br4 s ARG 16 CO 0.18 -1.60 0.00 0.41 0.00 0.00 0.00 175.30 174.29 2br4 n GLY 17 N 5.20 0.58 0.66 8.12 0.00 -1.26 -4.77 105.19 113.71 2br4 n GLY 17 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.65 1.33 0.00 0.99 4.77 -0.87 -5.07 117.00 117.49 2br4 n LEU 18 Ca -0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2br4 n LEU 18 Cb 0.52 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2br4 n LEU 18 CO 0.09 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 2br4 n GLY 19 N 2.60 0.81 0.08 -0.72 0.00 -1.08 -4.90 105.19 101.97 2br4 n GLY 19 Ca -0.09 -2.27 -0.08 0.00 0.00 0.00 0.00 46.02 43.58 2br4 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br4 h GLU 20 N 8.58 0.00 -3.37 1.61 5.08 -1.98 -3.42 114.58 121.09 2br4 h GLU 20 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 2br4 h GLU 20 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 2br4 h GLU 20 CO 0.00 0.56 -0.74 0.34 -1.00 0.00 0.00 179.01 178.16 2br4 s ASP 21 N -6.17 1.21 0.49 1.42 -1.08 -1.26 -5.03 116.67 106.24 2br4 s ASP 21 Ca -0.04 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.29 2br4 s ASP 21 Cb 0.08 -0.18 1.25 0.00 -1.46 0.00 0.00 42.92 42.61 2br4 s ASP 21 CO 0.82 -0.24 2.00 1.55 0.52 0.00 0.00 175.17 179.82 2br4 h PRO 22 N 8.42 0.00 -6.78 4.34 0.13 -1.91 -3.43 132.00 132.76 2br4 h PRO 22 Ca -0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.17 0.17 0.52 0.00 -0.23 0.00 0.00 178.00 178.63 2br4 s ALA 23 N -4.13 3.43 0.16 -0.56 0.00 -1.26 -4.45 121.76 114.95 2br4 s ALA 23 Ca -0.02 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2br4 s ALA 23 Cb 0.13 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2br4 s ALA 23 CO 0.62 -0.28 0.98 -0.47 0.00 0.00 0.00 175.76 176.61 2br4 s TYR 24 N -0.90 3.82 -0.03 0.00 5.04 -1.26 -4.92 117.35 119.09 2br4 s TYR 24 Ca 0.47 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.90 2br4 s TYR 24 Cb -0.33 -3.08 0.02 0.00 0.35 0.00 0.00 41.96 38.92 2br4 s TYR 24 CO 0.42 0.12 -0.02 -1.01 -1.34 0.00 0.00 175.55 173.72 2br4 s HIS 25 N -0.37 0.47 0.59 4.97 3.76 -1.26 -5.00 115.29 118.44 2br4 s HIS 25 Ca 0.46 -0.08 -0.20 0.00 -0.15 0.00 0.00 55.06 55.09 2br4 s HIS 25 Cb -0.25 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 2br4 s HIS 25 CO 0.31 -0.14 1.34 -1.25 -0.85 0.00 0.00 174.74 174.15 2br4 s PRO 26 N 0.93 2.90 0.49 8.40 0.04 -1.26 -4.94 135.00 141.56 2br4 s PRO 26 Ca -0.10 2.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 2br4 s PRO 26 Cb -0.14 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2br4 s PRO 26 CO -0.01 -1.36 1.36 -2.14 0.04 0.00 0.00 177.00 174.89 2br4 s PRO 27 N -3.10 3.48 -0.15 0.56 0.02 -1.26 -5.02 135.00 129.53 2br4 s PRO 27 Ca 0.76 2.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.99 2br4 s PRO 27 Cb -0.40 -2.47 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 2br4 s PRO 27 CO 0.45 -0.93 -0.01 0.08 -0.33 0.00 0.00 177.00 176.26 2br4 s VAL 28 N -1.28 4.13 -0.20 3.83 1.01 -1.26 -5.09 120.40 121.53 2br4 s VAL 28 Ca 0.65 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 2br4 s VAL 28 Cb -0.40 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2br4 s VAL 28 CO 0.50 0.50 0.89 -0.76 0.00 0.00 0.00 175.10 176.23 2br4 s LEU 29 N 0.20 4.13 -0.10 3.92 1.02 -1.26 -4.80 118.68 121.79 2br4 s LEU 29 Ca -0.00 1.19 0.20 0.00 0.02 0.00 0.00 54.13 55.54 2br4 s LEU 29 Cb -0.13 -3.31 -0.30 0.00 0.02 0.00 0.00 46.19 42.47 2br4 s LEU 29 CO 0.02 -0.50 0.32 0.35 0.02 0.00 0.00 176.35 176.56 2br4 n THR 30 N 5.04 0.57 -0.18 5.49 -2.24 -1.26 -4.64 114.28 117.06 2br4 n THR 30 Ca 0.07 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2br4 n THR 30 Cb 0.48 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.46 1.49 -3.84 3.42 5.75 -1.26 -5.05 116.55 114.60 2br4 n ASP 31 Ca -0.16 -1.67 -0.09 0.00 -0.01 0.00 0.00 54.79 52.87 2br4 n ASP 31 Cb 0.81 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.67 0.91 0.66 0.11 1.04 -1.26 -5.14 118.95 114.60 2br4 s ARG 32 Ca 0.00 -0.96 -0.14 0.00 -1.04 0.00 0.00 55.73 53.60 2br4 s ARG 32 Cb 0.00 0.36 -0.01 0.00 -2.04 0.00 0.00 34.95 33.27 2br4 s ARG 32 CO 0.00 -0.30 1.07 -1.25 -0.04 0.00 0.00 175.30 174.78 2br4 s PRO 33 N -3.87 2.97 0.08 3.89 0.04 -1.26 -4.84 135.00 132.00 2br4 s PRO 33 Ca 0.06 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 2br4 s PRO 33 Cb 0.04 -1.99 -0.21 0.00 0.04 0.00 0.00 34.50 32.39 2br4 s PRO 33 CO -0.10 -1.09 1.21 -0.09 0.04 0.00 0.00 177.00 176.97 2br4 h ARG 34 N -0.13 0.71 -4.54 4.56 2.43 -2.02 -3.39 114.38 112.00 2br4 h ARG 34 Ca -0.46 -0.70 -0.72 0.00 -0.81 0.00 0.00 59.98 57.29 2br4 h ARG 34 Cb 1.23 0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 30.75 2br4 h ARG 34 CO 0.56 1.29 0.27 -0.51 -1.51 0.00 0.00 179.97 180.07 2br4 s ASP 35 N -7.19 6.43 -0.00 -3.80 1.01 -1.26 -5.03 116.67 106.83 2br4 s ASP 35 Ca -0.10 -1.90 -0.30 0.00 0.71 0.00 0.00 52.55 50.96 2br4 s ASP 35 Cb 0.07 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 2br4 s ASP 35 CO 0.91 -0.96 0.98 0.86 0.21 0.00 0.00 175.17 177.16 2br4 s TRP 36 N 2.03 3.66 0.20 4.23 -0.11 -1.26 -5.02 118.94 122.66 2br4 s TRP 36 Ca 0.18 1.69 -0.30 0.00 1.22 0.00 0.00 56.10 58.89 2br4 s TRP 36 Cb -0.16 -3.12 -0.08 0.00 -1.50 0.00 0.00 33.47 28.61 2br4 s TRP 36 CO -0.01 -0.01 1.12 -1.25 -4.62 0.00 0.00 176.95 172.18 2br4 s PRO 37 N 1.02 4.58 0.51 5.86 0.04 -1.26 -4.94 135.00 140.82 2br4 s PRO 37 Ca 0.52 1.78 0.32 0.00 0.04 0.00 0.00 61.00 63.65 2br4 s PRO 37 Cb -0.21 -3.25 1.26 0.00 0.04 0.00 0.00 34.50 32.35 2br4 s PRO 37 CO 0.28 0.07 1.93 -0.07 0.04 0.00 0.00 177.00 179.25 2br4 h LEU 38 N 4.85 0.00 -1.07 -3.56 3.38 -1.98 -1.59 115.31 115.34 2br4 h LEU 38 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2br4 h LEU 38 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2br4 h LEU 38 CO 0.72 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 177.01 2br4 h ASP 39 N 0.00 0.00 -0.37 -0.43 2.03 -2.05 -2.73 116.42 112.88 2br4 h ASP 39 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 2br4 h ASP 39 Cb 0.53 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.92 2br4 h ASP 39 CO 0.00 0.00 -0.05 0.54 -1.03 0.00 0.00 179.24 178.70 2br4 n ARG 40 N -2.95 1.95 -0.32 4.15 1.74 -0.60 -4.86 116.66 115.77 2br4 n ARG 40 Ca 0.02 -3.15 0.05 0.00 -0.77 0.00 0.00 57.85 54.00 2br4 n ARG 40 Cb 0.34 -1.83 0.20 0.00 -1.02 0.00 0.00 32.46 30.14 2br4 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br4 h TRP 41 N 1.07 0.98 0.00 -1.55 7.01 -1.44 -2.28 115.95 119.74 2br4 h TRP 41 Ca 0.22 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 2br4 h TRP 41 Cb 1.68 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 28.44 2br4 h TRP 41 CO 1.00 0.39 -0.11 0.00 -2.79 0.00 0.00 178.44 176.94 2br4 h ALA 42 N 1.49 1.01 -0.01 2.65 0.00 -1.89 -2.86 119.26 119.65 2br4 h ALA 42 Ca 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2br4 h ALA 42 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2br4 h ALA 42 CO -0.26 0.13 -0.12 0.39 0.00 0.00 0.00 179.25 179.40 2br4 n GLU 43 N -3.23 1.33 -2.13 0.00 4.71 -0.86 -4.92 120.64 115.53 2br4 n GLU 43 Ca 0.01 -0.80 -0.41 0.00 -0.01 0.00 0.00 57.16 55.95 2br4 n GLU 43 Cb 0.38 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 2br4 n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2br4 s ALA 44 N -2.22 3.53 0.45 0.62 0.00 -1.08 -4.96 121.76 118.10 2br4 s ALA 44 Ca 0.31 1.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 2br4 s ALA 44 Cb 0.20 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2br4 s ALA 44 CO 0.42 -0.62 1.26 -1.25 0.00 0.00 0.00 175.76 175.57 2br4 s PRO 45 N -1.01 3.74 0.09 0.00 0.04 -1.26 -4.94 135.00 131.66 2br4 s PRO 45 Ca 0.53 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.83 2br4 s PRO 45 Cb -0.39 -2.54 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 2br4 s PRO 45 CO 0.46 -0.64 0.97 0.54 0.04 0.00 0.00 177.00 178.38 2br4 n ARG 46 N -0.29 0.44 -1.61 4.56 5.12 -1.26 -4.95 116.66 118.67 2br4 n ARG 46 Ca 0.06 0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.70 2br4 n ARG 46 Cb 0.45 -1.66 0.10 0.00 -1.16 0.00 0.00 32.46 30.19 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 -4.48 4.37 0.22 0.55 3.84 -1.26 -4.97 116.67 114.94 2br4 s ASP 47 Ca 0.01 1.18 -0.08 0.00 -0.00 0.00 0.00 52.55 53.66 2br4 s ASP 47 Cb 0.13 -1.87 0.30 0.00 -1.38 0.00 0.00 42.92 40.10 2br4 s ASP 47 CO 0.81 -2.03 1.79 0.25 -0.00 0.00 0.00 175.17 175.99 2br4 h LEU 48 N -1.13 0.52 0.00 2.11 5.85 -2.06 -3.46 115.31 117.13 2br4 h LEU 48 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2br4 h LEU 48 Cb 1.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2br4 h LEU 48 CO 0.61 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 179.63 2br4 n GLY 49 N -1.30 0.53 3.55 3.75 0.00 -1.26 -5.07 105.19 105.39 2br4 n GLY 49 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 -0.68 -1.75 1.61 -0.85 -1.26 -4.39 117.35 108.03 2br4 s TYR 50 Ca 0.00 1.28 0.23 0.00 -0.52 0.00 0.00 57.07 58.07 2br4 s TYR 50 Cb 0.00 0.38 0.16 0.00 0.38 0.00 0.00 41.96 42.88 2br4 s TYR 50 CO 0.00 -0.55 1.19 -1.13 -1.52 0.00 0.00 175.55 173.54 2br4 n SER 51 N 1.29 1.55 -3.31 -0.18 3.41 -1.26 -5.00 113.62 110.12 2br4 n SER 51 Ca -0.18 -1.22 -0.45 0.00 -0.26 0.00 0.00 58.87 56.76 2br4 n SER 51 Cb 0.57 0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 64.92 2br4 n SER 51 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2br4 n ASP 52 N -0.48 0.40 0.25 4.04 10.43 -1.26 -4.84 116.55 125.08 2br4 n ASP 52 Ca 0.09 0.84 -0.13 0.00 2.57 0.00 0.00 54.79 58.16 2br4 n ASP 52 Cb 0.41 -0.65 -0.07 0.00 1.84 0.00 0.00 41.12 42.66 2br4 n ASP 52 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 2br4 h PHE 53 N 2.82 -0.97 -2.85 1.24 -0.00 -1.97 -3.34 116.94 111.87 2br4 h PHE 53 Ca -0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 57.02 2br4 h PHE 53 Cb 1.01 0.37 -0.40 0.00 -0.00 0.00 0.00 35.95 36.92 2br4 h PHE 53 CO 0.44 -0.49 -0.77 0.45 -0.00 0.00 0.00 178.31 177.93 2br4 s SER 54 N -3.65 3.35 -0.69 0.41 0.15 -1.26 -5.03 113.70 106.98 2br4 s SER 54 Ca -0.13 -2.71 -0.06 0.00 0.70 0.00 0.00 55.95 53.75 2br4 s SER 54 Cb 0.03 -0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 63.38 2br4 s SER 54 CO 0.42 -0.25 3.00 -0.81 1.20 0.00 0.00 173.24 176.80 2br4 n PRO 55 N 3.40 2.94 -4.50 5.44 -0.04 -1.26 -4.75 135.00 136.24 2br4 n PRO 55 Ca 0.13 -2.13 -0.26 0.00 -0.04 0.00 0.00 63.50 61.20 2br4 n PRO 55 Cb 0.37 -2.31 -0.13 0.00 -0.04 0.00 0.00 33.50 31.38 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 -0.10 1.94 0.03 0.54 1.51 -1.26 -5.07 117.35 114.94 2br4 s TYR 56 Ca 0.62 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 56.11 2br4 s TYR 56 Cb 0.29 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2br4 s TYR 56 CO -0.10 0.18 0.41 1.14 -1.11 0.00 0.00 175.55 176.06 2br4 s GLN 57 N -1.60 0.89 -0.23 -0.62 -2.07 -1.26 -0.55 119.66 114.21 2br4 s GLN 57 Ca 0.09 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 2br4 s GLN 57 Cb -0.10 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.28 2br4 s GLN 57 CO 0.03 -0.29 -0.04 -0.46 -1.32 0.00 0.00 175.29 173.21 2br4 s TRP 58 N -2.26 2.23 -1.31 9.60 -0.11 0.20 -4.86 118.94 122.43 2br4 s TRP 58 Ca -0.07 -1.65 -0.05 0.00 1.22 0.00 0.00 56.10 55.55 2br4 s TRP 58 Cb -0.01 -1.51 0.01 0.00 -1.50 0.00 0.00 33.47 30.46 2br4 s TRP 58 CO -0.01 -0.76 1.06 0.54 -4.62 0.00 0.00 176.95 173.16 2br4 n ARG 59 N 4.72 -7.00 -0.42 5.86 1.74 -1.26 -2.05 116.66 118.24 2br4 n ARG 59 Ca -0.12 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2br4 n ARG 59 Cb 0.44 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.10 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 -1.63 0.87 3.46 -0.13 0.00 -1.26 -5.04 105.19 101.46 2br4 n GLY 60 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 3.01 0.41 0.99 1.43 -0.87 -4.32 118.68 119.34 2br4 s LEU 61 Ca 0.00 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 2br4 s LEU 61 Cb 0.00 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 2br4 s LEU 61 CO 0.00 0.21 1.08 0.54 0.23 0.00 0.00 176.35 178.41 2br4 n ARG 62 N 3.25 1.51 -4.27 1.70 1.74 -1.26 -0.63 116.66 118.70 2br4 n ARG 62 Ca -0.18 0.54 -0.27 0.00 -0.77 0.00 0.00 57.85 57.17 2br4 n ARG 62 Cb 0.53 -2.12 -0.17 0.00 -1.02 0.00 0.00 32.46 29.67 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 -2.04 1.92 0.07 5.56 -1.94 0.28 -3.91 119.30 119.24 2br4 s MET 63 Ca 0.62 -0.44 0.25 0.00 -1.71 0.00 0.00 55.69 54.41 2br4 s MET 63 Cb -0.55 -1.73 0.45 0.00 2.01 0.00 0.00 34.83 35.01 2br4 s MET 63 CO 0.57 -0.12 1.38 1.28 -0.01 0.00 0.00 175.02 178.12 2br4 n LEU 64 N 4.40 0.58 -4.65 -0.03 4.77 -1.26 -4.26 117.00 116.55 2br4 n LEU 64 Ca -0.18 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2br4 n LEU 64 Cb 0.51 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2br4 n LEU 64 CO 0.22 0.02 0.94 -0.54 -1.33 0.00 0.00 177.39 176.70 2br4 s LYS 65 N -3.10 4.18 0.66 3.23 1.02 -1.26 -5.03 119.74 119.44 2br4 s LYS 65 Ca 0.08 1.25 -0.09 0.00 0.02 0.00 0.00 55.97 57.23 2br4 s LYS 65 Cb 0.15 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 2br4 s LYS 65 CO 0.70 -0.75 1.01 0.16 -0.92 0.00 0.00 175.35 175.56 2br4 s ASP 66 N 1.42 5.49 0.43 2.83 1.47 -1.26 -4.77 116.67 122.28 2br4 s ASP 66 Ca 0.45 0.94 0.19 0.00 1.18 0.00 0.00 52.55 55.31 2br4 s ASP 66 Cb -0.14 -1.81 1.13 0.00 -0.34 0.00 0.00 42.92 41.76 2br4 s ASP 66 CO 0.10 -1.24 1.86 -0.65 0.68 0.00 0.00 175.17 175.93 2br4 h PRO 67 N -0.46 0.34 -0.33 2.11 0.11 -1.98 -0.96 132.00 130.83 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 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2br4 h PRO 67 CO 0.62 0.23 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.87 2br4 h ASP 68 N 0.36 0.87 -0.80 -2.05 3.45 -1.93 -1.94 116.42 114.37 2br4 h ASP 68 Ca 0.46 -0.47 0.01 0.00 0.43 0.00 0.00 57.03 57.46 2br4 h ASP 68 Cb 1.21 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.70 2br4 h ASP 68 CO -0.16 1.16 0.53 0.74 -1.57 0.00 0.00 179.24 179.94 2br4 h THR 69 N 0.59 1.19 -0.44 0.35 2.02 -1.54 -2.69 112.91 112.40 2br4 h THR 69 Ca 0.05 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 2br4 h THR 69 Cb 0.91 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2br4 h THR 69 CO 0.08 0.19 -0.05 1.56 0.37 0.00 0.00 175.52 177.67 2br4 h GLN 70 N 1.06 0.75 -0.11 6.66 4.20 -0.90 -2.31 115.11 124.46 2br4 h GLN 70 Ca 0.30 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 2br4 h GLN 70 Cb -0.09 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2br4 h GLN 70 CO -0.07 0.80 -0.61 0.00 -0.67 0.00 0.00 178.83 178.28 2br4 h ALA 71 N 1.25 0.74 -0.25 3.87 0.00 -1.13 -0.77 119.26 122.97 2br4 h ALA 71 Ca 0.13 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2br4 h ALA 71 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2br4 h ALA 71 CO 0.03 0.72 0.06 0.28 0.00 0.00 0.00 179.25 180.33 2br4 h VAL 72 N 0.29 1.22 -0.46 0.00 2.07 -1.29 -2.04 116.25 116.04 2br4 h VAL 72 Ca -0.01 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2br4 h VAL 72 Cb 1.14 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2br4 h VAL 72 CO 0.10 0.23 -0.05 1.88 0.02 0.00 0.00 177.57 179.76 2br4 h TYR 73 N 0.23 0.85 -0.12 1.57 -1.99 -1.32 0.15 116.97 116.33 2br4 h TYR 73 Ca 0.08 -0.13 0.05 0.00 2.00 0.00 0.00 58.73 60.72 2br4 h TYR 73 Cb 0.29 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 38.74 2br4 h TYR 73 CO 0.01 0.81 -0.29 1.25 -0.00 0.00 0.00 178.16 179.94 2br4 h HIS 74 N 0.72 -0.79 -0.75 4.88 2.76 -1.01 0.19 115.15 121.15 2br4 h HIS 74 Ca 0.13 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2br4 h HIS 74 Cb 0.51 0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2br4 h HIS 74 CO 0.03 -0.37 0.34 -0.44 -1.30 0.00 0.00 177.93 176.18 2br4 h ASP 75 N -0.37 0.99 -0.20 3.26 3.32 -0.89 -0.58 116.42 121.96 2br4 h ASP 75 Ca 0.10 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2br4 h ASP 75 Cb 0.52 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2br4 h ASP 75 CO -0.33 0.85 -0.22 -0.03 -1.72 0.00 0.00 179.24 177.79 2br4 h MET 76 N 1.07 0.50 -0.82 3.56 4.05 -0.54 -2.10 114.93 120.65 2br4 h MET 76 Ca 0.26 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 2br4 h MET 76 Cb 0.14 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 2br4 h MET 76 CO -0.03 0.86 0.38 -0.07 0.23 0.00 0.00 176.91 178.28 2br4 h LEU 77 N 0.16 1.08 -0.76 3.39 4.07 -0.43 -1.19 115.31 121.63 2br4 h LEU 77 Ca 0.03 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 2br4 h LEU 77 Cb 0.78 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 2br4 h LEU 77 CO 0.05 0.92 0.29 -0.25 -1.08 0.00 0.00 178.44 178.38 2br4 h TRP 78 N 1.17 1.17 0.05 1.13 2.91 -0.92 -0.64 115.95 120.81 2br4 h TRP 78 Ca 0.28 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 60.15 2br4 h TRP 78 Cb 0.13 -0.35 0.01 0.00 -0.51 0.00 0.00 29.16 28.44 2br4 h TRP 78 CO 0.02 0.90 -0.27 1.49 -1.03 0.00 0.00 178.44 179.54 2br4 h GLU 79 N 1.11 0.10 -0.00 2.65 4.81 -1.28 -3.37 114.58 118.60 2br4 h GLU 79 Ca 0.25 -0.17 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 2br4 h GLU 79 Cb 0.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2br4 h GLU 79 CO -0.02 1.07 -0.94 1.25 -0.73 0.00 0.00 179.01 179.65 2br4 h LEU 80 N -0.78 0.53 -3.13 1.64 6.46 -1.27 -3.48 115.31 115.26 2br4 h LEU 80 Ca -0.05 -0.42 -0.36 0.00 -0.12 0.00 0.00 57.88 56.93 2br4 h LEU 80 Cb 1.20 -0.16 0.07 0.00 -0.73 0.00 0.00 40.66 41.04 2br4 h LEU 80 CO 0.05 1.22 -0.81 0.54 -0.62 0.00 0.00 178.44 178.81 2br4 n ARG 81 N -3.74 -1.32 -2.23 1.25 1.74 -0.25 -4.83 116.66 107.27 2br4 n ARG 81 Ca -0.07 0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 2br4 n ARG 81 Cb 0.83 -4.18 -0.03 0.00 -1.02 0.00 0.00 32.46 28.06 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 -5.29 4.44 0.16 5.56 0.04 -1.26 -4.63 135.00 134.02 2br4 s PRO 82 Ca 0.33 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.68 2br4 s PRO 82 Cb -0.11 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.48 2br4 s PRO 82 CO 0.84 -0.08 1.19 -0.09 0.04 0.00 0.00 177.00 178.91 2br4 h ARG 83 N 3.80 0.00 -3.23 4.56 9.65 -1.02 -3.40 114.38 124.74 2br4 h ARG 83 Ca -0.48 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.18 2br4 h ARG 83 Cb 1.22 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 29.49 2br4 h ARG 83 CO 0.68 0.00 -0.57 0.99 2.80 0.00 0.00 179.97 183.86 2br4 s THR 84 N -3.25 -0.04 -0.21 0.20 2.01 -0.87 -1.81 115.64 111.67 2br4 s THR 84 Ca 0.03 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2br4 s THR 84 Cb 0.12 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.41 2br4 s THR 84 CO 0.75 0.06 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.99 2br4 s ILE 85 N 1.03 1.84 -0.23 1.82 1.01 -0.75 -1.01 121.20 124.92 2br4 s ILE 85 Ca -0.08 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.32 2br4 s ILE 85 Cb -0.10 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2br4 s ILE 85 CO -0.06 0.18 0.12 -0.69 0.00 0.00 0.00 174.94 174.50 2br4 s VAL 86 N 1.31 5.06 -0.27 2.92 1.01 0.05 -0.94 120.40 129.54 2br4 s VAL 86 Ca -0.02 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2br4 s VAL 86 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2br4 s VAL 86 CO -0.08 0.37 0.03 -1.61 0.00 0.00 0.00 175.10 173.81 2br4 s GLU 87 N 1.01 3.20 -0.52 2.72 0.41 0.67 -0.79 118.70 125.41 2br4 s GLU 87 Ca 0.06 -0.76 -0.23 0.00 -0.41 0.00 0.00 54.97 53.63 2br4 s GLU 87 Cb -0.14 -3.24 0.04 0.00 -1.78 0.00 0.00 34.13 29.02 2br4 s GLU 87 CO 0.04 -0.35 0.84 -0.51 -0.49 0.00 0.00 175.26 174.79 2br4 s LEU 88 N 1.49 4.30 0.00 1.80 1.43 0.03 -0.96 118.68 126.77 2br4 s LEU 88 Ca 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2br4 s LEU 88 Cb -0.16 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2br4 s LEU 88 CO 0.00 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.11 2br4 n GLY 89 N 5.09 1.02 0.14 -3.19 0.00 0.14 -0.17 105.19 108.22 2br4 n GLY 89 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 2.22 1.53 0.00 1.61 0.31 -1.24 -4.83 118.33 117.92 2br4 n VAL 90 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2br4 n VAL 90 Cb 0.00 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 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 -4.25 0.00 1.05 3.52 9.36 -1.26 -2.11 117.16 123.47 2br4 n TYR 91 Ca -0.54 0.00 0.12 0.00 3.32 0.00 0.00 57.90 60.80 2br4 n TYR 91 Cb 0.88 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 39.75 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 11.39 0.85 0.00 2.98 6.94 -1.26 -2.25 115.26 133.91 2br4 n ASN 92 Ca 0.00 -0.66 0.00 0.00 -0.02 0.00 0.00 54.58 53.90 2br4 n ASN 92 Cb 0.00 0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 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 1.46 0.68 0.19 4.83 0.00 -0.90 -1.21 105.19 110.25 2br4 n GLY 93 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.61 2.00 -0.02 0.00 -1.81 -1.73 103.07 102.12 2br4 h GLY 94 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2br4 h GLY 94 CO 0.00 0.26 -0.30 1.48 0.00 0.00 0.00 176.54 177.98 2br4 h SER 95 N 0.54 0.00 -0.02 0.19 4.64 -1.89 -1.06 113.55 115.94 2br4 h SER 95 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2br4 h SER 95 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2br4 h SER 95 CO -0.02 0.30 0.02 -0.07 -0.87 0.00 0.00 176.83 176.18 2br4 h LEU 96 N 0.00 0.03 -0.98 5.97 4.07 -1.72 -1.47 115.31 121.20 2br4 h LEU 96 Ca -0.00 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 2br4 h LEU 96 Cb 0.72 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2br4 h LEU 96 CO 0.04 0.05 -0.41 0.00 -1.08 0.00 0.00 178.44 177.04 2br4 h ALA 97 N 0.98 1.15 -0.13 1.53 0.00 -0.98 -2.37 119.26 119.43 2br4 h ALA 97 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2br4 h ALA 97 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2br4 h ALA 97 CO -0.00 0.58 -0.00 2.35 0.00 0.00 0.00 179.25 182.17 2br4 h TRP 98 N 0.17 0.26 -0.55 0.00 7.01 -1.11 -1.31 115.95 120.40 2br4 h TRP 98 Ca 0.01 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.91 2br4 h TRP 98 Cb 0.80 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 2br4 h TRP 98 CO 0.01 0.47 0.12 0.74 -2.79 0.00 0.00 178.44 176.99 2br4 h PHE 99 N -0.03 0.94 -0.47 2.65 0.05 -1.11 0.81 116.94 119.78 2br4 h PHE 99 Ca 0.04 -0.12 -0.06 0.00 3.82 0.00 0.00 57.97 61.64 2br4 h PHE 99 Cb 0.37 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.04 2br4 h PHE 99 CO 0.03 0.83 0.05 -0.09 -0.18 0.00 0.00 178.31 178.95 2br4 h ARG 100 N 0.79 0.80 -0.61 1.51 1.12 -1.46 -2.44 114.38 114.08 2br4 h ARG 100 Ca 0.17 -0.23 -0.08 0.00 -1.11 0.00 0.00 59.98 58.73 2br4 h ARG 100 Cb 0.37 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 2br4 h ARG 100 CO 0.01 0.82 0.06 -0.44 -3.11 0.00 0.00 179.97 177.30 2br4 h ASP 101 N 0.66 1.01 -0.24 -3.80 3.32 -0.97 -1.61 116.42 114.79 2br4 h ASP 101 Ca 0.14 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2br4 h ASP 101 Cb 0.43 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2br4 h ASP 101 CO 0.01 1.04 -0.02 0.25 -1.72 0.00 0.00 179.24 178.81 2br4 h LEU 102 N 0.95 0.43 -1.17 1.55 5.85 -0.81 -2.03 115.31 120.07 2br4 h LEU 102 Ca 0.18 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2br4 h LEU 102 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2br4 h LEU 102 CO 0.02 0.65 0.02 0.71 -0.34 0.00 0.00 178.44 179.51 2br4 h THR 103 N 0.19 1.20 -0.25 1.05 1.35 -1.44 -1.94 112.91 113.07 2br4 h THR 103 Ca 0.06 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 2br4 h THR 103 Cb 0.45 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2br4 h THR 103 CO 0.02 0.28 0.12 0.50 -0.25 0.00 0.00 175.52 176.18 2br4 h LYS 104 N 0.57 0.37 0.00 4.72 3.64 -0.99 0.25 116.57 125.13 2br4 h LYS 104 Ca 0.12 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2br4 h LYS 104 Cb 0.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2br4 h LYS 104 CO 0.01 0.38 -0.30 0.82 -2.27 0.00 0.00 179.45 178.09 2br4 h ILE 105 N 0.27 0.99 -0.01 2.00 2.04 -1.20 -2.13 117.51 119.48 2br4 h ILE 105 Ca 0.09 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2br4 h ILE 105 Cb 0.14 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2br4 h ILE 105 CO -0.01 0.29 -0.09 0.23 0.00 0.00 0.00 178.15 178.57 2br4 n MET 106 N -3.87 0.98 -1.15 2.37 2.81 -0.75 -4.93 117.12 112.59 2br4 n MET 106 Ca -0.02 -0.41 -0.05 0.00 -1.81 0.00 0.00 57.70 55.42 2br4 n MET 106 Cb 0.38 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.22 0.77 3.66 3.03 0.00 -0.79 -5.01 105.19 108.07 2br4 n GLY 107 Ca 0.17 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.12 5.07 -1.08 -0.61 1.01 0.01 -5.01 121.20 118.48 2br4 s ILE 108 Ca 0.00 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 61.48 2br4 s ILE 108 Cb 0.00 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.65 2br4 s ILE 108 CO 0.00 0.15 1.49 -0.62 0.00 0.00 0.00 174.94 175.96 2br4 s ASP 109 N 1.19 6.59 -0.10 3.58 2.15 -1.26 -4.22 116.67 124.59 2br4 s ASP 109 Ca 0.26 -1.71 0.03 0.00 0.43 0.00 0.00 52.55 51.55 2br4 s ASP 109 Cb -0.16 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2br4 s ASP 109 CO 0.10 -1.40 -0.20 0.00 -0.17 0.00 0.00 175.17 173.50 2br4 s GLN 111 N 0.20 4.13 -0.25 0.00 -1.52 -0.75 -4.89 119.66 116.58 2br4 s GLN 111 Ca -0.12 0.17 -0.09 0.00 -1.95 0.00 0.00 55.36 53.37 2br4 s GLN 111 Cb -0.16 -3.57 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 2br4 s GLN 111 CO 0.07 -0.12 0.12 0.08 -0.25 0.00 0.00 175.29 175.19 2br4 s VAL 112 N 1.56 4.82 -0.14 1.09 1.01 -0.36 -1.80 120.40 126.57 2br4 s VAL 112 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2br4 s VAL 112 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2br4 s VAL 112 CO 0.08 0.33 -0.15 -0.63 0.00 0.00 0.00 175.10 174.73 2br4 s ILE 113 N 1.39 2.76 -0.11 2.22 1.01 -0.11 -1.41 121.20 126.94 2br4 s ILE 113 Ca 0.06 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2br4 s ILE 113 Cb -0.15 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2br4 s ILE 113 CO 0.06 0.52 -0.22 -0.83 0.00 0.00 0.00 174.94 174.47 2br4 s GLY 114 N 0.55 1.36 -0.09 6.18 0.00 -0.04 -0.24 107.32 115.04 2br4 s GLY 114 Ca -0.10 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.67 2br4 s GLY 114 CO 0.04 -0.24 -0.21 -0.42 0.00 0.00 0.00 173.10 172.26 2br4 s ILE 115 N 0.45 2.33 0.03 0.90 1.01 -0.13 -1.63 121.20 124.17 2br4 s ILE 115 Ca -0.15 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 2br4 s ILE 115 Cb -0.17 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.43 2br4 s ILE 115 CO 0.06 0.56 0.34 -0.62 0.00 0.00 0.00 174.94 175.28 2br4 s ASP 116 N 0.10 -0.19 0.29 3.58 -1.08 -1.06 0.24 116.67 118.56 2br4 s ASP 116 Ca -0.10 -0.08 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 2br4 s ASP 116 Cb -0.16 0.37 0.42 0.00 -1.46 0.00 0.00 42.92 42.10 2br4 s ASP 116 CO 0.06 -0.60 1.65 0.08 0.52 0.00 0.00 175.17 176.87 2br4 h ARG 117 N 3.25 0.00 -3.15 4.34 0.11 -1.63 -1.50 114.38 115.80 2br4 h ARG 117 Ca -0.31 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.19 2br4 h ARG 117 Cb 1.20 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.88 2br4 h ARG 117 CO 0.44 0.57 -0.77 0.34 0.10 0.00 0.00 179.97 180.65 2br4 s ASP 118 N -6.83 3.70 0.00 0.08 2.15 -1.26 -4.43 116.67 110.09 2br4 s ASP 118 Ca -0.01 -1.83 0.27 0.00 0.43 0.00 0.00 52.55 51.40 2br4 s ASP 118 Cb 0.13 -0.72 1.04 0.00 -0.30 0.00 0.00 42.92 43.07 2br4 s ASP 118 CO 0.75 -0.38 1.74 0.18 -0.17 0.00 0.00 175.17 177.29 2br4 n LEU 119 N 4.57 1.45 0.24 -1.34 4.77 -1.26 -4.20 117.00 121.23 2br4 n LEU 119 Ca 0.01 -0.51 0.09 0.00 -0.03 0.00 0.00 56.01 55.58 2br4 n LEU 119 Cb 0.40 -0.02 0.61 0.00 -2.33 0.00 0.00 43.42 42.09 2br4 n LEU 119 CO 0.13 0.25 0.93 0.77 -1.33 0.00 0.00 177.39 178.14 2br4 h SER 120 N 2.22 0.00 1.09 -1.43 4.64 -1.93 -2.16 113.55 115.98 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2br4 h SER 120 CO 0.00 0.16 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 2br4 n ARG 121 N -3.96 0.18 -1.87 4.77 3.00 -1.26 -4.86 116.66 112.65 2br4 n ARG 121 Ca -0.02 0.25 -0.42 0.00 -0.01 0.00 0.00 57.85 57.64 2br4 n ARG 121 Cb 0.25 -1.75 -0.03 0.00 0.00 0.00 0.00 32.46 30.93 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 7.35 0.87 -2.10 0.00 1.13 -0.35 -4.92 117.38 119.37 2br4 n GLN 123 Ca 0.19 -0.62 -0.42 0.00 -1.94 0.00 0.00 57.00 54.20 2br4 n GLN 123 Cb 0.42 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.56 3.48 0.77 5.09 1.01 -1.25 -4.99 121.20 122.76 2br4 s ILE 124 Ca 0.20 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 2br4 s ILE 124 Cb 0.18 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 39.17 2br4 s ILE 124 CO 0.57 -0.02 1.14 -2.16 0.00 0.00 0.00 174.94 174.48 2br4 s PRO 125 N 2.76 2.03 0.33 2.79 0.04 -1.26 -4.95 135.00 136.73 2br4 s PRO 125 Ca 0.68 1.46 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2br4 s PRO 125 Cb -0.34 -1.85 0.57 0.00 0.04 0.00 0.00 34.50 32.92 2br4 s PRO 125 CO 0.28 -1.86 1.85 0.00 0.04 0.00 0.00 177.00 177.31 2br4 h ALA 126 N -0.87 1.33 0.00 8.56 0.00 -2.01 -2.64 119.26 123.64 2br4 h ALA 126 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2br4 h ALA 126 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2br4 h ALA 126 CO 0.49 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 179.07 2br4 n SER 127 N -4.26 0.00 -1.47 0.00 3.41 -1.26 -3.13 113.62 106.91 2br4 n SER 127 Ca 0.01 -0.49 -0.03 0.00 -0.26 0.00 0.00 58.87 58.10 2br4 n SER 127 Cb 0.27 -0.06 0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2br4 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2br4 n ASP 128 N -1.06 2.37 -0.88 4.04 2.03 -0.99 -4.82 116.55 117.23 2br4 n ASP 128 Ca 0.14 -3.20 0.08 0.00 0.52 0.00 0.00 54.79 52.33 2br4 n ASP 128 Cb 0.09 -0.43 0.25 0.00 -0.72 0.00 0.00 41.12 40.31 2br4 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2br4 n MET 129 N -0.60 2.76 -2.16 -0.67 2.81 -1.18 -4.89 117.12 113.20 2br4 n MET 129 Ca 0.21 -2.86 -0.42 0.00 -1.81 0.00 0.00 57.70 52.82 2br4 n MET 129 Cb 0.88 -1.83 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 2br4 n MET 129 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2br4 s GLU 130 N -2.87 4.34 -1.67 0.03 2.12 -1.26 -2.36 118.70 117.02 2br4 s GLU 130 Ca 0.42 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.87 2br4 s GLU 130 Cb 0.35 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.54 2br4 s GLU 130 CO 0.08 -0.36 0.00 0.09 -0.54 0.00 0.00 175.26 174.53 2br4 n ASN 131 N 3.07 -5.21 -3.82 -1.70 3.02 -1.26 -5.00 115.26 104.35 2br4 n ASN 131 Ca 0.08 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.51 2br4 n ASN 131 Cb 0.42 -4.29 -0.17 0.00 -0.61 0.00 0.00 39.78 35.13 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br4 s ILE 132 N -2.81 0.78 -0.13 2.41 1.01 -1.00 -1.23 121.20 120.23 2br4 s ILE 132 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 2br4 s ILE 132 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2br4 s ILE 132 CO 0.00 0.06 0.02 -0.89 0.00 0.00 0.00 174.94 174.13 2br4 s THR 133 N 1.77 4.47 0.27 2.92 2.01 -0.50 -4.94 115.64 121.63 2br4 s THR 133 Ca 0.01 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.89 2br4 s THR 133 Cb -0.15 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2br4 s THR 133 CO -0.07 0.54 0.40 -0.76 -0.69 0.00 0.00 174.62 174.04 2br4 s LEU 134 N -0.28 4.23 -0.24 4.42 1.02 -1.26 -0.86 118.68 125.72 2br4 s LEU 134 Ca 0.07 0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.28 2br4 s LEU 134 Cb -0.12 -2.92 0.13 0.00 0.02 0.00 0.00 46.19 43.29 2br4 s LEU 134 CO 0.02 -0.15 0.46 -1.00 0.02 0.00 0.00 176.35 175.71 2br4 s HIS 135 N -2.06 -1.00 0.45 0.29 3.76 -0.64 -4.91 115.29 111.19 2br4 s HIS 135 Ca 0.36 1.43 -0.21 0.00 -0.15 0.00 0.00 55.06 56.49 2br4 s HIS 135 Cb -0.09 0.31 -0.10 0.00 1.11 0.00 0.00 32.58 33.81 2br4 s HIS 135 CO 0.30 -0.64 0.98 -1.14 -0.85 0.00 0.00 174.74 173.39 2br4 s GLN 136 N 2.66 4.06 0.00 1.40 0.74 -1.26 -2.55 119.66 124.72 2br4 s GLN 136 Ca 0.06 1.20 0.00 0.00 0.05 0.00 0.00 55.36 56.67 2br4 s GLN 136 Cb -0.14 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.83 2br4 s GLN 136 CO -0.16 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.81 2br4 n GLY 137 N -0.53 3.86 3.88 2.59 0.00 -0.56 -4.91 105.19 109.51 2br4 n GLY 137 Ca 0.08 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 6.49 -0.05 1.61 3.68 -1.26 -1.68 116.67 125.46 2br4 s ASP 138 Ca 0.00 1.08 0.16 0.00 2.13 0.00 0.00 52.55 55.92 2br4 s ASP 138 Cb 0.00 -2.30 -0.21 0.00 -1.45 0.00 0.00 42.92 38.96 2br4 s ASP 138 CO 0.00 -0.40 0.56 0.00 0.13 0.00 0.00 175.17 175.46 2br4 n SER 140 N -2.88 0.00 -3.71 0.00 2.88 -1.26 -4.41 113.62 104.24 2br4 n SER 140 Ca -0.18 0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 2br4 n SER 140 Cb 0.98 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 64.25 2br4 n SER 140 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2br4 s ASP 141 N -1.94 -0.51 0.00 -3.46 -4.77 -1.25 -5.06 116.67 99.69 2br4 s ASP 141 Ca 0.00 0.98 0.24 0.00 -3.30 0.00 0.00 52.55 50.47 2br4 s ASP 141 Cb 0.00 0.99 1.20 0.00 -1.09 0.00 0.00 42.92 44.02 2br4 s ASP 141 CO 0.00 -0.17 1.80 0.18 0.70 0.00 0.00 175.17 177.68 2br4 n LEU 142 N 2.80 0.00 0.25 2.11 7.99 -1.26 -3.19 117.00 125.71 2br4 n LEU 142 Ca -0.13 0.32 0.11 0.00 -0.01 0.00 0.00 56.01 56.29 2br4 n LEU 142 Cb 0.57 -0.32 0.68 0.00 -0.11 0.00 0.00 43.42 44.24 2br4 n LEU 142 CO 0.11 -0.06 0.97 0.00 -1.51 0.00 0.00 177.39 176.89 2br4 h THR 143 N 0.00 0.75 -0.43 -5.08 1.03 -1.96 -2.50 112.91 104.73 2br4 h THR 143 Ca 0.00 -0.49 0.07 0.00 -0.01 0.00 0.00 66.41 65.98 2br4 h THR 143 Cb 0.26 1.30 -0.06 0.00 -1.07 0.00 0.00 68.15 68.57 2br4 h THR 143 CO 0.00 0.12 0.05 0.74 -0.01 0.00 0.00 175.52 176.42 2br4 h THR 144 N 0.00 0.72 0.00 0.00 2.02 -1.78 -3.19 112.91 110.68 2br4 h THR 144 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 2br4 h THR 144 Cb 0.29 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2br4 h THR 144 CO 0.02 0.03 -0.57 -0.26 0.37 0.00 0.00 175.52 175.11 2br4 h PHE 145 N 0.16 0.00 0.00 3.16 -1.00 -1.70 -3.27 116.94 114.30 2br4 h PHE 145 Ca 0.21 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.96 2br4 h PHE 145 Cb 0.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 2br4 h PHE 145 CO -0.24 0.57 -0.16 0.93 -1.61 0.00 0.00 178.31 177.79 2br4 h GLU 146 N 0.00 0.00 -3.09 1.51 4.39 -1.53 -3.28 114.58 112.59 2br4 h GLU 146 Ca -0.01 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.98 2br4 h GLU 146 Cb 1.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.01 2br4 h GLU 146 CO 0.07 0.16 3.03 0.72 -1.16 0.00 0.00 179.01 181.84 2br4 n HIS 147 N -3.49 2.71 -3.87 4.33 8.25 -1.23 -4.86 115.22 117.05 2br4 n HIS 147 Ca -0.01 -2.95 -0.29 0.00 -0.26 0.00 0.00 57.72 54.22 2br4 n HIS 147 Cb 0.33 -2.21 -0.16 0.00 1.12 0.00 0.00 29.99 29.06 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 -0.33 1.88 -0.22 2.41 1.02 -1.24 -5.09 118.68 117.11 2br4 s LEU 148 Ca 0.57 -0.91 -0.29 0.00 0.02 0.00 0.00 54.13 53.52 2br4 s LEU 148 Cb 0.16 -0.93 -0.06 0.00 0.02 0.00 0.00 46.19 45.38 2br4 s LEU 148 CO -0.07 -0.24 2.20 0.54 0.02 0.00 0.00 176.35 178.80 2br4 n ARG 149 N 4.84 1.91 -1.53 1.70 1.74 -1.26 -4.75 116.66 119.30 2br4 n ARG 149 Ca -0.11 0.54 -0.49 0.00 -0.77 0.00 0.00 57.85 57.02 2br4 n ARG 149 Cb 0.46 -3.11 -0.06 0.00 -1.02 0.00 0.00 32.46 28.73 2br4 n ARG 149 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2br4 n GLU 150 N 8.57 1.48 -2.66 5.56 4.07 -1.26 -4.90 120.64 131.50 2br4 n GLU 150 Ca 0.31 0.44 -0.21 0.00 -0.06 0.00 0.00 57.16 57.63 2br4 n GLU 150 Cb 0.41 -2.67 0.04 0.00 -0.06 0.00 0.00 31.44 29.16 2br4 n GLU 150 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2br4 s MET 151 N 5.79 2.57 0.58 5.31 0.23 -1.26 -5.09 119.30 127.43 2br4 s MET 151 Ca 1.04 -0.76 -0.08 0.00 -1.03 0.00 0.00 55.69 54.86 2br4 s MET 151 Cb -0.71 -2.49 -0.03 0.00 -1.53 0.00 0.00 34.83 30.07 2br4 s MET 151 CO 0.47 -0.69 0.93 0.00 -2.03 0.00 0.00 175.02 173.70 2br4 s ALA 152 N -2.75 3.21 0.24 3.16 0.00 -1.26 -5.07 121.76 119.29 2br4 s ALA 152 Ca 0.57 -0.34 0.12 0.00 0.00 0.00 0.00 51.96 52.30 2br4 s ALA 152 Cb -0.10 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 2br4 s ALA 152 CO 0.38 -0.63 -0.21 -1.01 0.00 0.00 0.00 175.76 174.29 2br4 s HIS 153 N -3.02 2.26 0.92 0.00 3.76 -1.26 -3.84 115.29 114.11 2br4 s HIS 153 Ca 0.52 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 2br4 s HIS 153 Cb -0.11 -1.03 0.15 0.00 1.11 0.00 0.00 32.58 32.70 2br4 s HIS 153 CO 0.49 0.62 1.11 -2.14 -0.85 0.00 0.00 174.74 173.97 2br4 s PRO 154 N -3.20 1.01 -0.01 8.40 0.02 -1.26 -4.53 135.00 135.44 2br4 s PRO 154 Ca 0.26 1.23 0.01 0.00 0.02 0.00 0.00 61.00 62.52 2br4 s PRO 154 Cb -0.06 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.71 2br4 s PRO 154 CO 0.13 -2.53 -0.04 -1.17 -0.33 0.00 0.00 177.00 173.05 2br4 s LEU 155 N -6.50 1.96 -0.17 -5.54 0.20 -1.26 -0.49 118.68 106.88 2br4 s LEU 155 Ca 0.65 -0.08 0.01 0.00 0.69 0.00 0.00 54.13 55.40 2br4 s LEU 155 Cb -0.21 -0.23 0.01 0.00 -0.43 0.00 0.00 46.19 45.33 2br4 s LEU 155 CO 0.58 0.05 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.87 2br4 s ILE 156 N -0.04 2.20 -0.25 6.68 1.01 -0.18 -1.74 121.20 128.88 2br4 s ILE 156 Ca 0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 2br4 s ILE 156 Cb -0.02 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2br4 s ILE 156 CO -0.00 0.53 0.01 0.12 0.00 0.00 0.00 174.94 175.60 2br4 s PHE 157 N 1.12 3.06 -0.26 3.97 5.36 -0.29 -0.77 117.98 130.16 2br4 s PHE 157 Ca 0.01 -0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 54.95 2br4 s PHE 157 Cb -0.14 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 2br4 s PHE 157 CO -0.08 -0.56 -0.01 0.42 -1.46 0.00 0.00 175.22 173.52 2br4 s ILE 158 N 1.48 3.24 -0.48 3.12 1.01 0.03 -0.85 121.20 128.76 2br4 s ILE 158 Ca 0.04 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 2br4 s ILE 158 Cb -0.16 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.69 2br4 s ILE 158 CO -0.01 0.16 1.05 -0.62 0.00 0.00 0.00 174.94 175.53 2br4 s ASP 159 N 1.38 6.57 -0.01 3.58 3.68 0.11 -0.79 116.67 131.19 2br4 s ASP 159 Ca 0.01 0.29 0.01 0.00 2.13 0.00 0.00 52.55 54.99 2br4 s ASP 159 Cb -0.17 -2.51 0.01 0.00 -1.45 0.00 0.00 42.92 38.81 2br4 s ASP 159 CO -0.02 -1.18 0.94 0.47 0.13 0.00 0.00 175.17 175.51 2br4 n ASP 160 N 7.59 1.73 -0.01 -0.34 8.00 0.76 -2.36 116.55 131.91 2br4 n ASP 160 Ca 0.09 -1.91 0.04 0.00 0.71 0.00 0.00 54.79 53.73 2br4 n ASP 160 Cb 0.49 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br4 n ALA 161 N -0.47 2.33 -2.21 2.24 0.00 -0.67 -4.67 120.51 117.06 2br4 n ALA 161 Ca 0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 2br4 n ALA 161 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.93 -0.75 -5.11 0.00 8.25 -1.26 -4.98 115.22 109.44 2br4 n HIS 162 Ca -0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.10 2br4 n HIS 162 Cb 0.34 -3.70 -0.15 0.00 1.12 0.00 0.00 29.99 27.60 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 -2.93 2.34 -1.76 -1.41 0.00 -1.26 -4.72 121.76 112.01 2br4 s ALA 163 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2br4 s ALA 163 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2br4 s ALA 163 CO 0.00 0.41 0.00 -1.71 0.00 0.00 0.00 175.76 174.46 2br4 n ASN 164 N 2.95 -5.58 -0.03 0.00 4.05 -1.26 -4.70 115.26 110.69 2br4 n ASN 164 Ca -0.18 0.10 -0.09 0.00 0.45 0.00 0.00 54.58 54.86 2br4 n ASN 164 Cb 0.52 -4.70 -0.03 0.00 1.23 0.00 0.00 39.78 36.80 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br4 h THR 165 N 0.00 0.86 -0.31 -0.44 2.02 -1.94 -2.05 112.91 111.05 2br4 h THR 165 Ca -0.46 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2br4 h THR 165 Cb 1.34 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2br4 h THR 165 CO 0.56 0.01 -0.11 -0.26 0.37 0.00 0.00 175.52 176.09 2br4 h PHE 166 N 0.03 0.57 -0.10 3.16 -1.00 -1.99 0.31 116.94 117.92 2br4 h PHE 166 Ca 0.08 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2br4 h PHE 166 Cb 0.11 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2br4 h PHE 166 CO -0.17 0.62 -0.20 -0.91 -1.61 0.00 0.00 178.31 176.04 2br4 h ASN 167 N 0.49 0.16 0.03 2.17 2.35 -1.78 -0.70 115.58 118.30 2br4 h ASN 167 Ca 0.09 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.59 2br4 h ASN 167 Cb 0.48 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.82 2br4 h ASN 167 CO 0.03 0.37 -0.81 0.40 -1.65 0.00 0.00 177.43 175.77 2br4 h ILE 168 N 0.15 1.32 -0.61 2.81 2.04 -0.76 -1.57 117.51 120.88 2br4 h ILE 168 Ca 0.03 -2.09 -0.08 0.00 1.00 0.00 0.00 64.86 63.72 2br4 h ILE 168 Cb 0.45 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2br4 h ILE 168 CO 0.03 0.65 0.08 -0.03 0.00 0.00 0.00 178.15 178.87 2br4 h MET 169 N 0.42 1.01 -0.06 2.37 4.05 -0.64 0.11 114.93 122.20 2br4 h MET 169 Ca -0.06 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2br4 h MET 169 Cb 1.42 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.10 2br4 h MET 169 CO 0.16 0.94 0.04 -0.22 0.23 0.00 0.00 176.91 178.05 2br4 h LYS 170 N 0.94 0.07 -0.95 0.39 3.64 -1.13 -1.46 116.57 118.08 2br4 h LYS 170 Ca 0.19 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 2br4 h LYS 170 Cb 0.44 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2br4 h LYS 170 CO 0.01 0.06 0.60 2.35 -2.27 0.00 0.00 179.45 180.21 2br4 h TRP 171 N 0.06 1.10 -0.28 1.91 7.01 -0.86 -1.68 115.95 123.22 2br4 h TRP 171 Ca 0.02 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.90 2br4 h TRP 171 Cb 0.01 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.70 2br4 h TRP 171 CO -0.07 0.52 -0.42 0.00 -2.79 0.00 0.00 178.44 175.68 2br4 h ALA 172 N 1.46 0.74 -0.39 2.65 0.00 -0.45 -1.98 119.26 121.29 2br4 h ALA 172 Ca 0.43 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2br4 h ALA 172 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2br4 h ALA 172 CO -0.20 0.66 -0.33 0.28 0.00 0.00 0.00 179.25 179.66 2br4 h VAL 173 N 0.55 1.28 0.00 0.00 2.07 -0.96 0.62 116.25 119.81 2br4 h VAL 173 Ca 0.04 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2br4 h VAL 173 Cb 0.96 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2br4 h VAL 173 CO 0.09 0.50 0.00 0.44 0.02 0.00 0.00 177.57 178.62 2br4 h ASP 174 N 0.72 0.00 0.00 0.57 3.32 -1.18 -3.40 116.42 116.45 2br4 h ASP 174 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2br4 h ASP 174 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2br4 h ASP 174 CO 0.08 0.00 -0.78 1.41 -1.72 0.00 0.00 179.24 178.24 2br4 n HIS 175 N -2.75 0.00 0.00 4.55 8.25 -0.76 -5.01 115.22 119.51 2br4 n HIS 175 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2br4 n HIS 175 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.91 0.85 -4.76 2.41 7.94 -0.73 -5.08 117.00 115.73 2br4 n LEU 176 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 2br4 n LEU 176 Cb 0.39 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.29 2br4 n LEU 176 CO 0.00 0.06 0.72 -0.76 -1.11 0.00 0.00 177.39 176.30 2br4 s LEU 177 N -5.26 4.56 0.22 -1.96 1.43 0.13 -5.05 118.68 112.76 2br4 s LEU 177 Ca 0.00 2.09 0.10 0.00 -1.03 0.00 0.00 54.13 55.29 2br4 s LEU 177 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2br4 s LEU 177 CO 0.00 -0.03 -0.18 -1.61 0.23 0.00 0.00 176.35 174.76 2br4 s GLU 178 N -1.43 1.47 -0.26 1.70 2.02 -1.26 -4.92 118.70 116.02 2br4 s GLU 178 Ca 0.44 -1.61 -0.42 0.00 0.02 0.00 0.00 54.97 53.40 2br4 s GLU 178 Cb -0.28 -1.48 -0.18 0.00 0.10 0.00 0.00 34.13 32.29 2br4 s GLU 178 CO 0.35 0.28 1.53 -1.91 0.02 0.00 0.00 175.26 175.53 2br4 n GLU 179 N -0.27 0.57 0.00 1.61 2.13 -1.26 -1.18 120.64 122.24 2br4 n GLU 179 Ca -0.08 0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2br4 n GLU 179 Cb 0.59 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.51 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 3.45 3.03 3.77 8.31 0.00 0.01 -4.98 105.19 118.78 2br4 n GLY 180 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.69 5.66 -0.04 1.61 1.01 -0.33 -4.66 116.67 119.24 2br4 s ASP 181 Ca 0.00 2.23 -0.03 0.00 0.71 0.00 0.00 52.55 55.46 2br4 s ASP 181 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2br4 s ASP 181 CO 0.00 -1.26 0.14 -0.31 0.21 0.00 0.00 175.17 173.94 2br4 s TYR 182 N -1.71 3.47 -0.15 4.23 1.51 -0.71 -0.56 117.35 123.43 2br4 s TYR 182 Ca 0.73 0.35 0.01 0.00 -1.01 0.00 0.00 57.07 57.15 2br4 s TYR 182 Cb -0.26 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2br4 s TYR 182 CO 0.29 0.63 -0.16 0.12 -1.11 0.00 0.00 175.55 175.33 2br4 s PHE 183 N -1.20 2.28 -0.10 2.71 5.36 0.12 -1.14 117.98 126.01 2br4 s PHE 183 Ca 0.22 -1.27 0.03 0.00 -0.96 0.00 0.00 56.93 54.96 2br4 s PHE 183 Cb -0.12 -1.64 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 2br4 s PHE 183 CO 0.13 -0.67 -0.20 0.42 -1.46 0.00 0.00 175.22 173.44 2br4 s ILE 184 N 1.35 1.79 -0.38 3.12 1.01 -0.03 -1.37 121.20 126.69 2br4 s ILE 184 Ca 0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 2br4 s ILE 184 Cb -0.13 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 40.83 2br4 s ILE 184 CO -0.10 0.50 0.19 -0.63 0.00 0.00 0.00 174.94 174.90 2br4 s ILE 185 N 0.62 3.88 0.13 2.92 1.01 -0.24 0.07 121.20 129.59 2br4 s ILE 185 Ca -0.13 -1.40 -0.28 0.00 0.00 0.00 0.00 60.65 58.83 2br4 s ILE 185 Cb -0.17 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 2br4 s ILE 185 CO 0.04 -0.41 0.88 -1.61 0.00 0.00 0.00 174.94 173.85 2br4 s GLU 186 N 1.37 4.67 0.00 2.79 2.02 -1.00 -4.53 118.70 124.02 2br4 s GLU 186 Ca 0.02 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2br4 s GLU 186 Cb -0.22 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2br4 s GLU 186 CO 0.01 0.35 0.00 -0.25 0.02 0.00 0.00 175.26 175.39 2br4 n ASP 187 N 2.32 0.00 0.07 -0.19 8.00 0.67 -4.71 116.55 122.72 2br4 n ASP 187 Ca -0.01 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.43 2br4 n ASP 187 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 2br4 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br4 h MET 188 N 0.00 0.00 -0.18 -1.24 2.86 -1.85 -3.39 114.93 111.14 2br4 h MET 188 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2br4 h MET 188 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2br4 h MET 188 CO 0.00 0.92 -0.23 0.82 1.06 0.00 0.00 176.91 179.48 2br4 h ILE 189 N 0.00 0.43 -0.23 -1.22 1.08 -1.84 -0.34 117.51 115.38 2br4 h ILE 189 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2br4 h ILE 189 Cb 1.65 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 2br4 h ILE 189 CO 0.12 0.00 0.06 -0.65 -0.69 0.00 0.00 178.15 176.99 2br4 h PRO 190 N -0.27 0.33 -0.13 2.37 0.11 -1.81 -1.45 132.00 131.15 2br4 h PRO 190 Ca 0.11 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.98 2br4 h PRO 190 Cb 0.44 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.50 2br4 h PRO 190 CO -0.33 0.31 -0.73 1.88 -0.21 0.00 0.00 178.00 178.91 2br4 h TYR 191 N 0.33 0.98 -0.22 0.65 -1.99 -1.56 -2.38 116.97 112.78 2br4 h TYR 191 Ca 0.08 -0.44 -0.08 0.00 2.00 0.00 0.00 58.73 60.29 2br4 h TYR 191 Cb 0.13 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 2br4 h TYR 191 CO 0.00 1.27 -0.19 -1.49 -0.00 0.00 0.00 178.16 177.75 2br4 h TRP 192 N 0.42 0.42 -0.11 4.88 6.55 -0.64 -0.47 115.95 127.00 2br4 h TRP 192 Ca -0.06 -0.07 -0.19 0.00 0.95 0.00 0.00 58.89 59.52 2br4 h TRP 192 Cb 1.37 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 29.56 2br4 h TRP 192 CO 0.10 0.57 -0.72 -0.92 -1.05 0.00 0.00 178.44 176.41 2br4 h TYR 193 N 0.35 0.70 -0.05 0.49 3.20 -1.32 -1.00 116.97 119.34 2br4 h TYR 193 Ca 0.06 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.63 2br4 h TYR 193 Cb 0.55 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2br4 h TYR 193 CO 0.01 1.07 0.02 -0.09 -1.64 0.00 0.00 178.16 177.54 2br4 h ARG 194 N 0.36 0.08 0.09 1.82 2.43 -1.06 -2.44 114.38 115.67 2br4 h ARG 194 Ca -0.03 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 2br4 h ARG 194 Cb 1.31 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2br4 h ARG 194 CO 0.13 0.19 -1.43 1.88 -1.51 0.00 0.00 179.97 179.23 2br4 h TYR 195 N -0.05 0.35 -2.04 2.20 0.99 -1.11 -3.39 116.97 113.92 2br4 h TYR 195 Ca 0.02 -0.25 -0.51 0.00 2.00 0.00 0.00 58.73 59.98 2br4 h TYR 195 Cb 0.13 -0.01 -0.40 0.00 1.00 0.00 0.00 36.73 37.45 2br4 h TYR 195 CO -0.03 1.28 -1.11 0.00 -0.00 0.00 0.00 178.16 178.30 2br4 n ALA 196 N -2.59 2.43 -0.29 3.88 0.00 -0.38 -4.99 120.51 118.56 2br4 n ALA 196 Ca -0.13 -3.58 0.09 0.00 0.00 0.00 0.00 53.44 49.82 2br4 n ALA 196 Cb 1.03 -0.88 0.24 0.00 0.00 0.00 0.00 19.45 19.84 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 3.23 0.50 0.06 0.00 0.13 -1.57 -1.74 132.00 132.61 2br4 h PRO 197 Ca 0.10 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2br4 h PRO 197 Cb 0.89 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2br4 h PRO 197 CO 0.54 0.33 -0.03 1.96 -0.23 0.00 0.00 178.00 180.57 2br4 h GLN 198 N 0.51 -0.08 -0.40 0.86 4.20 -1.92 -1.17 115.11 117.11 2br4 h GLN 198 Ca 0.49 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.18 2br4 h GLN 198 Cb 0.78 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2br4 h GLN 198 CO -0.43 0.42 0.17 -0.07 -0.67 0.00 0.00 178.83 178.25 2br4 h LEU 199 N -0.63 0.54 -0.16 1.46 3.38 -1.95 -2.21 115.31 115.75 2br4 h LEU 199 Ca -0.01 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2br4 h LEU 199 Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2br4 h LEU 199 CO 0.01 0.54 -0.09 0.15 0.09 0.00 0.00 178.44 179.14 2br4 h PHE 200 N 0.50 -0.22 -0.94 1.13 3.57 -1.35 0.21 116.94 119.84 2br4 h PHE 200 Ca 0.13 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 2br4 h PHE 200 Cb 0.16 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 2br4 h PHE 200 CO -0.01 -0.14 0.59 0.77 -2.23 0.00 0.00 178.31 177.29 2br4 h SER 201 N -0.08 0.90 -0.06 0.41 0.02 -1.12 -1.08 113.55 112.55 2br4 h SER 201 Ca 0.09 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2br4 h SER 201 Cb 0.22 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2br4 h SER 201 CO -0.21 0.54 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.63 2br4 h GLU 202 N 1.02 0.32 0.09 3.45 4.81 -0.81 -1.87 114.58 121.59 2br4 h GLU 202 Ca 0.43 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2br4 h GLU 202 Cb 0.29 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2br4 h GLU 202 CO -0.21 0.91 -0.04 1.88 -0.73 0.00 0.00 179.01 180.81 2br4 h TYR 203 N -0.19 -0.11 -0.79 0.92 0.99 -0.39 -0.48 116.97 116.91 2br4 h TYR 203 Ca -0.02 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.72 2br4 h TYR 203 Cb 0.97 0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.69 2br4 h TYR 203 CO 0.13 0.04 0.53 -0.07 -0.00 0.00 0.00 178.16 178.79 2br4 h LEU 204 N -0.24 0.89 -1.39 3.88 3.38 -1.30 -2.51 115.31 118.02 2br4 h LEU 204 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2br4 h LEU 204 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2br4 h LEU 204 CO 0.02 0.64 -0.08 1.23 0.09 0.00 0.00 178.44 180.33 2br4 h GLY 205 N 1.05 0.00 2.00 0.83 0.00 -0.76 -2.60 103.07 103.59 2br4 h GLY 205 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2br4 h GLY 205 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.47 2br4 h ALA 206 N 1.92 1.00 -0.53 3.60 0.00 -0.63 -2.53 119.26 122.08 2br4 h ALA 206 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br4 h ALA 206 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2br4 h ALA 206 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2br4 n PHE 207 N -2.97 1.78 0.09 0.00 3.01 -0.98 -4.70 117.46 113.69 2br4 n PHE 207 Ca -0.00 -0.63 0.05 0.00 1.01 0.00 0.00 57.45 57.88 2br4 n PHE 207 Cb 0.24 -0.43 0.48 0.00 -0.01 0.00 0.00 39.48 39.76 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 3.60 0.35 -0.00 -1.08 0.11 -1.59 -1.24 114.38 114.53 2br4 h ARG 208 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2br4 h ARG 208 Cb 1.74 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.75 2br4 h ARG 208 CO 0.40 0.27 -0.29 -0.25 0.10 0.00 0.00 179.97 180.20 2br4 n ASP 209 N -4.46 0.67 0.00 0.08 8.00 -1.26 -4.44 116.55 115.13 2br4 n ASP 209 Ca 0.01 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2br4 n ASP 209 Cb 0.10 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.05 0.00 -4.54 2.53 0.24 -0.98 -4.88 118.33 109.66 2br4 n VAL 210 Ca 0.10 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.12 2br4 n VAL 210 Cb 0.33 -0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 31.82 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 -4.40 2.26 0.30 1.34 1.43 -0.50 -1.45 118.68 117.66 2br4 s LEU 211 Ca 0.00 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2br4 s LEU 211 Cb 0.00 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 2br4 s LEU 211 CO 0.00 0.18 -0.06 -0.94 0.23 0.00 0.00 176.35 175.76 2br4 s SER 212 N -1.71 3.04 -0.25 2.29 1.04 -0.54 -4.53 113.70 113.03 2br4 s SER 212 Ca 0.11 -1.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.21 2br4 s SER 212 Cb -0.10 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 2br4 s SER 212 CO 0.04 -0.32 0.25 -0.32 0.98 0.00 0.00 173.24 173.87 2br4 s MET 213 N -3.70 4.03 -0.62 4.02 1.75 -1.26 -1.56 119.30 121.95 2br4 s MET 213 Ca 0.31 -0.15 -0.27 0.00 -1.25 0.00 0.00 55.69 54.33 2br4 s MET 213 Cb 0.04 -3.61 0.03 0.00 2.84 0.00 0.00 34.83 34.13 2br4 s MET 213 CO 0.13 -0.11 1.18 0.34 -0.65 0.00 0.00 175.02 175.91 2br4 s ASP 214 N 1.43 6.35 0.00 1.11 -1.08 -0.65 -4.87 116.67 118.96 2br4 s ASP 214 Ca 0.11 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.21 2br4 s ASP 214 Cb -0.15 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 39.97 2br4 s ASP 214 CO 0.08 -1.55 1.73 0.23 0.52 0.00 0.00 175.17 176.19 2br4 n MET 215 N 8.55 0.94 0.12 4.34 2.81 -1.26 -1.06 117.12 131.56 2br4 n MET 215 Ca 0.06 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.73 2br4 n MET 215 Cb 0.49 -1.33 -0.14 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.80 0.00 4.03 6.46 -1.99 -3.40 115.31 121.20 2br4 h LEU 216 Ca 0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 2br4 h LEU 216 Cb 0.00 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2br4 h LEU 216 CO 0.00 1.60 -0.74 -1.22 -0.62 0.00 0.00 178.44 177.47 2br4 n TYR 217 N -3.73 0.00 0.11 1.25 0.53 -1.06 -4.72 117.16 109.55 2br4 n TYR 217 Ca -0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.73 2br4 n TYR 217 Cb 1.03 -0.07 0.25 0.00 -1.03 0.00 0.00 39.34 39.53 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 1.05 1.17 -0.56 -0.72 0.00 -1.31 -2.89 119.26 116.00 2br4 h ALA 218 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2br4 h ALA 218 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2br4 h ALA 218 CO 0.00 0.56 0.00 0.09 0.00 0.00 0.00 179.25 179.90 2br4 n ASN 219 N -4.04 4.33 0.04 0.00 3.02 -1.26 -1.00 115.26 116.35 2br4 n ASN 219 Ca -0.01 -2.43 0.11 0.00 -0.03 0.00 0.00 54.58 52.22 2br4 n ASN 219 Cb 0.46 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.84 3.13 -2.54 5.41 0.00 -1.09 -4.90 120.51 121.36 2br4 n ALA 220 Ca 0.23 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 2br4 n ALA 220 Cb 0.81 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 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 -4.33 0.34 0.20 0.00 1.04 -1.26 -4.83 113.70 104.86 2br4 s SER 221 Ca 0.00 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.81 2br4 s SER 221 Cb 0.13 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 2br4 s SER 221 CO 0.82 -0.47 1.40 0.77 0.98 0.00 0.00 173.24 176.74 2br4 h SER 222 N 3.80 0.00 0.21 7.02 4.64 -1.94 -2.12 113.55 125.17 2br4 h SER 222 Ca -0.33 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.81 2br4 h SER 222 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2br4 h SER 222 CO 0.54 0.76 -0.69 1.56 -0.87 0.00 0.00 176.83 178.13 2br4 h GLN 223 N 0.00 0.43 -0.12 4.77 4.20 -1.96 -3.20 115.11 119.23 2br4 h GLN 223 Ca -0.01 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2br4 h GLN 223 Cb 1.52 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.36 2br4 h GLN 223 CO 0.10 0.97 0.00 1.28 -0.67 0.00 0.00 178.83 180.50 2br4 n LEU 224 N -3.86 2.63 -4.32 1.46 4.77 -1.21 -0.23 117.00 116.23 2br4 n LEU 224 Ca -0.04 -0.97 -0.61 0.00 -0.03 0.00 0.00 56.01 54.36 2br4 n LEU 224 Cb 0.69 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 2br4 n LEU 224 CO 0.48 0.48 1.62 -0.67 -1.33 0.00 0.00 177.39 177.97 2br4 n ASP 225 N 1.02 0.83 -2.66 -1.43 2.03 -0.80 -0.87 116.55 114.67 2br4 n ASP 225 Ca 0.16 0.77 -0.17 0.00 0.52 0.00 0.00 54.79 56.07 2br4 n ASP 225 Cb 0.52 -0.89 -0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 6.83 -2.68 -0.07 -0.67 1.74 -0.17 -4.60 116.66 117.04 2br4 n ARG 226 Ca 0.50 0.72 0.01 0.00 -0.77 0.00 0.00 57.85 58.31 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 -1.01 0.37 3.53 -0.13 0.00 -0.05 -4.97 105.19 102.92 2br4 n GLY 227 Ca -0.14 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.65 5.02 0.07 1.61 1.01 -1.25 -1.08 120.40 125.13 2br4 s VAL 228 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2br4 s VAL 228 Cb 0.03 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2br4 s VAL 228 CO 0.00 -0.33 -0.23 -0.76 0.00 0.00 0.00 175.10 173.78 2br4 s LEU 229 N 2.34 2.22 0.09 3.92 1.43 -0.47 -1.64 118.68 126.57 2br4 s LEU 229 Ca 0.16 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2br4 s LEU 229 Cb -0.16 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2br4 s LEU 229 CO 0.14 0.16 -0.08 0.00 0.23 0.00 0.00 176.35 176.81 2br4 s ARG 230 N -1.47 0.82 -0.25 1.70 1.70 -0.60 0.10 118.95 120.94 2br4 s ARG 230 Ca 0.09 -1.22 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 2br4 s ARG 230 Cb -0.09 -0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 33.94 2br4 s ARG 230 CO 0.03 0.03 1.24 0.50 -1.08 0.00 0.00 175.30 176.01 2br4 s ARG 231 N -3.23 4.07 0.65 3.89 6.06 0.27 -1.46 118.95 129.21 2br4 s ARG 231 Ca 0.08 1.37 -0.09 0.00 -2.50 0.00 0.00 55.73 54.58 2br4 s ARG 231 Cb 0.01 -3.80 0.01 0.00 0.06 0.00 0.00 34.95 31.22 2br4 s ARG 231 CO -0.02 -0.91 1.02 0.14 -2.50 0.00 0.00 175.30 173.02 2br4 s VAL 232 N 3.89 3.66 -1.68 7.11 -7.23 -0.53 -0.81 120.40 124.82 2br4 s VAL 232 Ca 0.53 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2br4 s VAL 232 Cb -0.18 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2br4 s VAL 232 CO 0.18 -0.61 0.42 0.00 -0.31 0.00 0.00 175.10 174.78