#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br3 h ASP 3 N 0.00 0.00 0.28 1.20 5.19 -2.05 -2.41 116.42 118.63 2br3 h ASP 3 Ca 0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2br3 h ASP 3 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2br3 h ASP 3 CO 0.00 0.00 -0.74 0.10 -3.12 0.00 0.00 179.24 175.48 2br3 h TYR 4 N 0.00 0.53 0.00 4.55 -0.00 -2.05 -3.25 116.97 116.75 2br3 h TYR 4 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 58.73 58.66 2br3 h TYR 4 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.75 2br3 h TYR 4 CO 0.00 1.00 -0.39 0.66 -0.00 0.00 0.00 178.16 179.42 2br3 h SER 5 N 0.26 0.00 0.21 0.10 4.64 -1.92 -3.26 113.55 113.58 2br3 h SER 5 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2br3 h SER 5 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2br3 h SER 5 CO 0.13 0.39 -0.14 0.54 -0.87 0.00 0.00 176.83 176.88 2br3 n ARG 6 N -3.47 0.98 -4.18 4.77 5.12 -1.23 -4.91 116.66 113.74 2br3 n ARG 6 Ca 0.00 -0.49 -0.31 0.00 -1.93 0.00 0.00 57.85 55.12 2br3 n ARG 6 Cb 0.55 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 2br3 n ARG 6 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2br3 s GLN 7 N -2.36 2.68 -0.07 5.56 0.74 -1.23 -5.10 119.66 119.87 2br3 s GLN 7 Ca 0.30 -0.74 -0.12 0.00 0.05 0.00 0.00 55.36 54.85 2br3 s GLN 7 Cb 0.20 -2.61 -0.05 0.00 1.10 0.00 0.00 33.01 31.65 2br3 s GLN 7 CO 0.46 0.57 0.31 1.21 -0.55 0.00 0.00 175.29 177.29 2br3 s ASN 8 N -2.04 6.61 -0.30 6.67 3.84 -1.26 -5.06 114.94 123.40 2br3 s ASN 8 Ca 0.24 0.72 -0.07 0.00 0.21 0.00 0.00 52.86 53.96 2br3 s ASN 8 Cb -0.12 -2.19 0.01 0.00 -0.55 0.00 0.00 41.25 38.40 2br3 s ASN 8 CO 0.16 0.29 0.10 -0.36 -2.79 0.00 0.00 177.10 174.50 2br3 s PHE 9 N -0.70 3.16 0.31 0.43 0.40 -1.26 -5.07 117.98 115.25 2br3 s PHE 9 Ca 0.20 -0.91 -0.30 0.00 -0.60 0.00 0.00 56.93 55.32 2br3 s PHE 9 Cb -0.15 -2.28 -0.12 0.00 0.51 0.00 0.00 43.02 40.99 2br3 s PHE 9 CO 0.09 -0.56 1.55 1.28 0.70 0.00 0.00 175.22 178.28 2br3 n LEU 10 N 4.89 4.37 -4.70 -0.37 4.77 -1.26 -4.94 117.00 119.75 2br3 n LEU 10 Ca -0.14 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 56.58 2br3 n LEU 10 Cb 0.48 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 2br3 n LEU 10 CO 0.32 0.10 1.09 -0.62 -1.33 0.00 0.00 177.39 176.95 2br3 s ASP 11 N 0.32 6.83 0.02 -1.43 3.68 -1.26 -4.91 116.67 119.92 2br3 s ASP 11 Ca 0.61 2.24 0.28 0.00 2.13 0.00 0.00 52.55 57.81 2br3 s ASP 11 Cb -0.50 -2.57 1.07 0.00 -1.45 0.00 0.00 42.92 39.46 2br3 s ASP 11 CO 0.52 -0.69 1.82 0.18 0.13 0.00 0.00 175.17 177.14 2br3 n LEU 12 N 4.62 0.16 0.19 -1.34 4.32 -1.26 -3.21 117.00 120.47 2br3 n LEU 12 Ca 0.12 0.42 0.14 0.00 -0.02 0.00 0.00 56.01 56.67 2br3 n LEU 12 Cb 0.43 -0.44 0.60 0.00 -1.62 0.00 0.00 43.42 42.39 2br3 n LEU 12 CO 0.59 0.01 0.91 0.78 -1.22 0.00 0.00 177.39 178.45 2br3 h ASN 13 N 0.00 0.00 -0.04 -1.43 2.35 -2.01 -2.52 115.58 111.93 2br3 h ASN 13 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2br3 h ASN 13 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2br3 h ASN 13 CO 0.00 0.00 0.02 -0.07 -1.65 0.00 0.00 177.43 175.73 2br3 h LEU 14 N 0.00 0.07 -3.39 1.61 4.07 -1.96 -2.72 115.31 112.99 2br3 h LEU 14 Ca 0.00 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2br3 h LEU 14 Cb 0.34 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 2br3 h LEU 14 CO 0.00 0.08 0.15 0.49 -1.08 0.00 0.00 178.44 178.07 2br3 n PHE 15 N -4.50 2.07 -1.77 1.13 0.99 -0.95 -4.94 117.46 109.48 2br3 n PHE 15 Ca -0.02 -0.91 -0.43 0.00 -0.00 0.00 0.00 57.45 56.09 2br3 n PHE 15 Cb 0.11 -0.57 -0.03 0.00 -1.00 0.00 0.00 39.48 37.99 2br3 n PHE 15 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2br3 s ARG 16 N -2.65 3.38 -1.61 -1.08 1.81 -1.03 -2.36 118.95 115.41 2br3 s ARG 16 Ca 0.49 1.91 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 2br3 s ARG 16 Cb 0.38 -4.26 0.00 0.00 -0.45 0.00 0.00 34.95 30.62 2br3 s ARG 16 CO 0.13 -1.81 0.00 0.41 -0.68 0.00 0.00 175.30 173.35 2br3 n GLY 17 N 5.40 0.56 0.24 -3.53 0.00 -1.26 -4.82 105.19 101.78 2br3 n GLY 17 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2br3 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br3 n LEU 18 N -2.22 1.54 0.00 0.99 4.77 -0.99 -5.12 117.00 115.96 2br3 n LEU 18 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2br3 n LEU 18 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2br3 n LEU 18 CO 0.25 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2br3 n GLY 19 N 2.68 0.92 0.09 -0.72 0.00 -1.18 -4.83 105.19 102.16 2br3 n GLY 19 Ca 0.00 -2.15 0.12 0.00 0.00 0.00 0.00 46.02 43.99 2br3 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2br3 n GLU 20 N 0.05 0.51 -3.61 1.61 1.02 -1.26 -4.67 120.64 114.29 2br3 n GLU 20 Ca 0.00 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 2br3 n GLU 20 Cb 0.00 -1.76 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 2br3 n GLU 20 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2br3 s ASP 21 N -4.93 1.28 0.61 1.62 -1.08 -1.26 -5.04 116.67 107.86 2br3 s ASP 21 Ca 0.01 -0.03 0.38 0.00 -0.52 0.00 0.00 52.55 52.39 2br3 s ASP 21 Cb 0.11 0.17 1.89 0.00 -1.46 0.00 0.00 42.92 43.63 2br3 s ASP 21 CO 0.78 -0.29 2.18 1.55 0.52 0.00 0.00 175.17 179.92 2br3 h PRO 22 N 8.37 0.00 -7.08 4.34 0.13 -1.90 -3.43 132.00 132.42 2br3 h PRO 22 Ca -0.14 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.51 2br3 h PRO 22 Cb 1.13 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.29 2br3 h PRO 22 CO 0.21 0.01 0.39 0.00 -0.23 0.00 0.00 178.00 178.38 2br3 s ALA 23 N -3.95 2.86 0.10 -0.56 0.00 -1.26 -4.60 121.76 114.35 2br3 s ALA 23 Ca -0.02 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 2br3 s ALA 23 Cb 0.11 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 2br3 s ALA 23 CO 0.48 -0.36 0.72 -0.47 0.00 0.00 0.00 175.76 176.14 2br3 s TYR 24 N -2.02 3.82 -0.01 0.00 5.04 -1.26 -4.93 117.35 118.00 2br3 s TYR 24 Ca 0.67 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.80 2br3 s TYR 24 Cb -0.16 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.43 2br3 s TYR 24 CO 0.21 0.45 -0.02 -1.01 -1.34 0.00 0.00 175.55 173.84 2br3 s HIS 25 N -0.75 0.28 0.34 4.97 3.76 -1.26 -5.04 115.29 117.60 2br3 s HIS 25 Ca 0.35 -0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.94 2br3 s HIS 25 Cb -0.21 -0.23 -0.10 0.00 1.11 0.00 0.00 32.58 33.14 2br3 s HIS 25 CO 0.23 -0.04 1.28 -2.14 -0.85 0.00 0.00 174.74 173.23 2br3 s PRO 26 N 0.20 4.34 0.61 8.40 0.02 -1.26 -4.94 135.00 142.37 2br3 s PRO 26 Ca -0.02 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 62.98 2br3 s PRO 26 Cb -0.04 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 2br3 s PRO 26 CO -0.00 -0.18 1.24 -1.25 -0.33 0.00 0.00 177.00 176.48 2br3 s PRO 27 N -1.82 2.84 -0.09 5.54 0.04 -1.26 -5.02 135.00 135.24 2br3 s PRO 27 Ca 0.49 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2br3 s PRO 27 Cb -0.39 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2br3 s PRO 27 CO 0.51 -1.33 -0.22 0.08 0.04 0.00 0.00 177.00 176.08 2br3 s VAL 28 N -1.51 1.88 0.40 -0.36 1.01 -1.26 -5.12 120.40 115.44 2br3 s VAL 28 Ca 0.79 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 2br3 s VAL 28 Cb -0.33 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 2br3 s VAL 28 CO 0.36 0.52 1.11 -0.76 0.00 0.00 0.00 175.10 176.33 2br3 s LEU 29 N 0.30 4.15 0.05 3.92 2.01 -1.26 -4.87 118.68 122.99 2br3 s LEU 29 Ca -0.15 2.20 -0.01 0.00 0.01 0.00 0.00 54.13 56.17 2br3 s LEU 29 Cb -0.17 -4.11 -0.00 0.00 0.01 0.00 0.00 46.19 41.91 2br3 s LEU 29 CO 0.07 -0.61 -0.02 0.35 1.01 0.00 0.00 176.35 177.15 2br3 n THR 30 N -0.04 0.85 1.45 5.49 -2.24 -1.26 -4.82 114.28 113.71 2br3 n THR 30 Ca 0.05 0.25 0.01 0.00 -2.27 0.00 0.00 64.05 62.10 2br3 n THR 30 Cb 0.48 -1.59 0.05 0.00 -2.10 0.00 0.00 70.33 67.17 2br3 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br3 n ASP 31 N -3.38 0.81 -3.65 3.42 5.75 -1.26 -4.87 116.55 113.37 2br3 n ASP 31 Ca -0.01 -2.03 -0.11 0.00 -0.01 0.00 0.00 54.79 52.63 2br3 n ASP 31 Cb 0.20 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 2br3 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br3 s ARG 32 N -1.71 1.04 0.41 0.11 1.70 -1.26 -5.15 118.95 114.08 2br3 s ARG 32 Ca 0.07 -0.67 -0.22 0.00 -0.47 0.00 0.00 55.73 54.44 2br3 s ARG 32 Cb 0.04 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 2br3 s ARG 32 CO 0.04 -0.40 0.98 -1.25 -1.08 0.00 0.00 175.30 173.59 2br3 s PRO 33 N -3.61 4.22 0.32 3.89 0.04 -1.26 -4.88 135.00 133.72 2br3 s PRO 33 Ca 0.02 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.40 2br3 s PRO 33 Cb 0.02 -2.36 0.54 0.00 0.04 0.00 0.00 34.50 32.74 2br3 s PRO 33 CO -0.11 -0.05 1.76 -0.09 0.04 0.00 0.00 177.00 178.56 2br3 h ARG 34 N 2.22 0.25 -3.50 4.56 2.43 -2.00 -3.37 114.38 114.97 2br3 h ARG 34 Ca -0.48 -0.10 -0.72 0.00 -0.81 0.00 0.00 59.98 57.87 2br3 h ARG 34 Cb 1.20 -0.01 -0.34 0.00 -0.42 0.00 0.00 29.97 30.39 2br3 h ARG 34 CO 0.62 0.55 -0.16 -0.51 -1.51 0.00 0.00 179.97 178.96 2br3 s ASP 35 N -6.87 5.83 0.11 -3.80 1.01 -1.26 -5.06 116.67 106.63 2br3 s ASP 35 Ca -0.05 -3.23 -0.31 0.00 0.71 0.00 0.00 52.55 49.67 2br3 s ASP 35 Cb 0.14 -1.94 -0.08 0.00 1.01 0.00 0.00 42.92 42.06 2br3 s ASP 35 CO 0.76 -0.31 1.36 0.86 0.21 0.00 0.00 175.17 178.04 2br3 s TRP 36 N -0.62 3.27 0.48 4.23 -0.11 -1.26 -4.99 118.94 119.95 2br3 s TRP 36 Ca 0.22 1.02 -0.23 0.00 1.22 0.00 0.00 56.10 58.33 2br3 s TRP 36 Cb -0.13 -3.64 -0.07 0.00 -1.50 0.00 0.00 33.47 28.13 2br3 s TRP 36 CO -0.08 -2.20 1.24 -1.25 -4.62 0.00 0.00 176.95 170.04 2br3 s PRO 37 N 1.04 3.58 0.20 5.86 0.04 -1.26 -4.94 135.00 139.51 2br3 s PRO 37 Ca 0.63 1.95 0.24 0.00 0.04 0.00 0.00 61.00 63.87 2br3 s PRO 37 Cb -0.36 -2.39 0.45 0.00 0.04 0.00 0.00 34.50 32.24 2br3 s PRO 37 CO 0.30 -0.75 1.46 -0.07 0.04 0.00 0.00 177.00 177.99 2br3 h LEU 38 N 1.91 0.00 0.00 -3.56 4.07 -1.98 -3.07 115.31 112.68 2br3 h LEU 38 Ca -0.50 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.36 2br3 h LEU 38 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2br3 h LEU 38 CO 0.59 0.05 0.00 -0.90 -1.08 0.00 0.00 178.44 177.10 2br3 n ASP 39 N -2.34 0.00 -1.10 -0.43 5.75 -1.26 -2.66 116.55 114.50 2br3 n ASP 39 Ca 0.04 0.14 0.02 0.00 -0.01 0.00 0.00 54.79 54.98 2br3 n ASP 39 Cb 0.46 -0.36 0.13 0.00 -1.03 0.00 0.00 41.12 40.32 2br3 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2br3 n ARG 40 N -1.36 1.42 -0.22 0.11 1.74 -1.16 -4.90 116.66 112.28 2br3 n ARG 40 Ca 0.09 -3.08 0.02 0.00 -0.77 0.00 0.00 57.85 54.11 2br3 n ARG 40 Cb 0.22 -1.28 0.14 0.00 -1.02 0.00 0.00 32.46 30.52 2br3 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br3 h TRP 41 N 1.21 0.34 0.00 -1.55 7.01 -1.51 -0.92 115.95 120.54 2br3 h TRP 41 Ca -0.02 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 2br3 h TRP 41 Cb 1.30 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 2br3 h TRP 41 CO 0.61 0.02 -0.23 0.00 -2.79 0.00 0.00 178.44 176.05 2br3 h ALA 42 N 1.50 1.08 0.00 2.65 0.00 -1.90 -2.77 119.26 119.82 2br3 h ALA 42 Ca 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2br3 h ALA 42 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2br3 h ALA 42 CO -0.40 0.29 -0.07 0.93 0.00 0.00 0.00 179.25 180.01 2br3 h GLU 43 N 0.00 0.00 -7.03 0.00 5.08 -1.56 -3.46 114.58 107.61 2br3 h GLU 43 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 2br3 h GLU 43 Cb 0.68 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.04 2br3 h GLU 43 CO 0.03 0.07 0.57 0.00 -1.00 0.00 0.00 179.01 178.68 2br3 s ALA 44 N -3.82 2.89 0.51 3.43 0.00 -1.05 -4.98 121.76 118.73 2br3 s ALA 44 Ca -0.00 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 2br3 s ALA 44 Cb 0.10 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2br3 s ALA 44 CO 0.55 -1.11 1.01 -1.25 0.00 0.00 0.00 175.76 174.96 2br3 s PRO 45 N -2.82 3.81 0.00 0.00 0.04 -1.26 -4.99 135.00 129.78 2br3 s PRO 45 Ca 0.68 1.18 0.17 0.00 0.04 0.00 0.00 61.00 63.07 2br3 s PRO 45 Cb -0.36 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.94 2br3 s PRO 45 CO 0.43 -0.40 0.75 0.54 0.04 0.00 0.00 177.00 178.37 2br3 n ARG 46 N -1.29 1.59 -1.81 4.56 5.12 -1.26 -4.97 116.66 118.60 2br3 n ARG 46 Ca 0.08 -0.23 -0.30 0.00 -1.93 0.00 0.00 57.85 55.47 2br3 n ARG 46 Cb 0.53 -1.28 0.17 0.00 -1.16 0.00 0.00 32.46 30.71 2br3 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br3 s ASP 47 N -2.40 3.23 0.07 0.55 3.84 -1.26 -4.99 116.67 115.70 2br3 s ASP 47 Ca 0.08 0.47 -0.19 0.00 -0.00 0.00 0.00 52.55 52.91 2br3 s ASP 47 Cb 0.13 -0.67 -0.10 0.00 -1.38 0.00 0.00 42.92 40.89 2br3 s ASP 47 CO 0.61 -2.68 1.46 0.25 -0.00 0.00 0.00 175.17 174.81 2br3 h LEU 48 N -1.60 0.40 0.00 2.11 5.85 -2.02 -3.47 115.31 116.58 2br3 h LEU 48 Ca -0.45 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2br3 h LEU 48 Cb 1.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2br3 h LEU 48 CO 0.46 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 2br3 n GLY 49 N -0.16 0.66 3.66 3.75 0.00 -1.26 -5.06 105.19 106.77 2br3 n GLY 49 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2br3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br3 s TYR 50 N -2.00 -0.21 0.21 1.61 -0.85 -1.26 -4.49 117.35 110.36 2br3 s TYR 50 Ca 0.00 -0.03 -0.32 0.00 -0.52 0.00 0.00 57.07 56.20 2br3 s TYR 50 Cb 0.00 0.60 -0.14 0.00 0.38 0.00 0.00 41.96 42.80 2br3 s TYR 50 CO 0.00 -0.70 1.42 0.45 -1.52 0.00 0.00 175.55 175.19 2br3 n SER 51 N -0.39 2.66 -0.80 -0.18 2.88 -1.26 -4.89 113.62 111.64 2br3 n SER 51 Ca -0.07 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.67 2br3 n SER 51 Cb 0.61 -1.40 0.19 0.00 -0.75 0.00 0.00 64.21 62.86 2br3 n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br3 n ASP 52 N 2.38 2.33 0.00 -3.46 5.75 -1.26 -4.69 116.55 117.60 2br3 n ASP 52 Ca 0.13 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2br3 n ASP 52 Cb 0.30 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2br3 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br3 n PHE 53 N 0.73 0.00 -3.27 2.11 -0.00 -1.26 -4.52 117.46 111.24 2br3 n PHE 53 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.36 2br3 n PHE 53 Cb 0.38 -0.18 -0.08 0.00 -0.00 0.00 0.00 39.48 39.59 2br3 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br3 n SER 54 N -1.18 -1.04 -1.97 -2.13 2.88 -1.26 -4.98 113.62 103.94 2br3 n SER 54 Ca 0.00 -2.47 -0.03 0.00 -1.33 0.00 0.00 58.87 55.04 2br3 n SER 54 Cb 0.00 -0.13 0.33 0.00 -0.75 0.00 0.00 64.21 63.66 2br3 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br3 n PRO 55 N 2.85 4.00 -3.69 -1.46 -0.04 -1.26 -4.93 135.00 130.47 2br3 n PRO 55 Ca 0.28 -3.03 -0.33 0.00 -0.04 0.00 0.00 63.50 60.37 2br3 n PRO 55 Cb 0.49 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 2br3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br3 s TYR 56 N -2.88 3.54 0.10 0.54 1.51 -1.26 -5.00 117.35 113.89 2br3 s TYR 56 Ca 0.54 0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 57.13 2br3 s TYR 56 Cb 0.43 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2br3 s TYR 56 CO 0.14 0.52 0.19 1.14 -1.11 0.00 0.00 175.55 176.43 2br3 s GLN 57 N -2.16 0.87 -0.24 -0.62 -2.07 -1.26 -0.67 119.66 113.51 2br3 s GLN 57 Ca 0.34 -1.01 -0.02 0.00 -1.82 0.00 0.00 55.36 52.85 2br3 s GLN 57 Cb -0.13 0.34 0.08 0.00 -1.09 0.00 0.00 33.01 32.20 2br3 s GLN 57 CO 0.20 -0.28 0.07 -0.46 -1.32 0.00 0.00 175.29 173.50 2br3 s TRP 58 N -3.88 1.10 -1.35 9.60 -0.11 0.13 -4.84 118.94 119.59 2br3 s TRP 58 Ca 0.07 -1.09 -0.05 0.00 1.22 0.00 0.00 56.10 56.24 2br3 s TRP 58 Cb 0.05 -1.19 0.02 0.00 -1.50 0.00 0.00 33.47 30.85 2br3 s TRP 58 CO -0.10 -0.71 0.96 0.54 -4.62 0.00 0.00 176.95 173.02 2br3 n ARG 59 N 5.03 -6.21 -0.99 5.86 1.74 -1.26 -1.87 116.66 118.96 2br3 n ARG 59 Ca -0.07 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2br3 n ARG 59 Cb 0.45 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 2br3 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 60 N -1.61 0.75 3.72 -0.13 0.00 -1.26 -5.02 105.19 101.65 2br3 n GLY 60 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2br3 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br3 s LEU 61 N 0.00 3.72 0.50 0.99 1.43 -0.78 -4.37 118.68 120.16 2br3 s LEU 61 Ca 0.00 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 2br3 s LEU 61 Cb 0.00 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 2br3 s LEU 61 CO 0.00 0.34 1.18 -0.13 0.23 0.00 0.00 176.35 177.96 2br3 s ARG 62 N -1.25 3.54 -0.14 1.70 0.52 -1.26 0.19 118.95 122.25 2br3 s ARG 62 Ca 0.17 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.16 2br3 s ARG 62 Cb -0.12 -2.25 0.02 0.00 0.52 0.00 0.00 34.95 33.12 2br3 s ARG 62 CO 0.07 -0.73 -0.14 -1.64 0.02 0.00 0.00 175.30 172.88 2br3 s MET 63 N -2.91 2.29 0.22 3.54 -1.94 0.16 -3.98 119.30 116.68 2br3 s MET 63 Ca 0.68 -0.56 0.24 0.00 -1.71 0.00 0.00 55.69 54.34 2br3 s MET 63 Cb -0.28 -2.09 0.39 0.00 2.01 0.00 0.00 34.83 34.86 2br3 s MET 63 CO 0.34 -0.22 1.44 -0.07 -0.01 0.00 0.00 175.02 176.50 2br3 h LEU 64 N 7.99 0.00 -8.97 -0.03 3.38 -1.96 -3.39 115.31 112.33 2br3 h LEU 64 Ca -0.38 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 2br3 h LEU 64 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 2br3 h LEU 64 CO 0.53 0.04 0.00 -0.54 0.09 0.00 0.00 178.44 178.56 2br3 s LYS 65 N -3.20 4.07 0.86 1.13 1.02 -1.26 -5.07 119.74 117.29 2br3 s LYS 65 Ca 0.06 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.27 2br3 s LYS 65 Cb 0.11 -3.65 0.11 0.00 -0.52 0.00 0.00 37.83 33.87 2br3 s LYS 65 CO 0.69 -0.36 1.15 0.16 -0.92 0.00 0.00 175.35 176.07 2br3 s ASP 66 N 1.54 4.03 0.42 2.83 1.47 -1.26 -4.72 116.67 120.98 2br3 s ASP 66 Ca 0.22 0.90 0.16 0.00 1.18 0.00 0.00 52.55 55.01 2br3 s ASP 66 Cb -0.16 -1.44 1.06 0.00 -0.34 0.00 0.00 42.92 42.04 2br3 s ASP 66 CO 0.09 -2.22 1.88 -0.65 0.68 0.00 0.00 175.17 174.96 2br3 h PRO 67 N -1.27 0.41 -0.14 2.11 0.11 -1.97 -1.72 132.00 129.53 2br3 h PRO 67 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2br3 h PRO 67 Cb 1.33 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2br3 h PRO 67 CO 0.64 0.27 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.15 2br3 h ASP 68 N 0.43 0.34 -0.96 -2.05 5.19 -1.94 -1.38 116.42 116.05 2br3 h ASP 68 Ca 0.43 -0.45 0.13 0.00 -0.62 0.00 0.00 57.03 56.51 2br3 h ASP 68 Cb 1.01 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.35 2br3 h ASP 68 CO -0.15 0.72 0.61 0.74 -3.12 0.00 0.00 179.24 178.04 2br3 h THR 69 N -0.03 0.89 -0.58 0.35 2.02 -1.65 -1.93 112.91 111.98 2br3 h THR 69 Ca 0.03 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2br3 h THR 69 Cb 0.61 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2br3 h THR 69 CO 0.03 0.16 0.24 1.56 0.37 0.00 0.00 175.52 177.88 2br3 h GLN 70 N 0.89 0.86 -0.71 6.66 4.20 -0.91 -1.47 115.11 124.63 2br3 h GLN 70 Ca 0.48 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 59.06 2br3 h GLN 70 Cb 0.56 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2br3 h GLN 70 CO -0.24 0.73 0.45 0.00 -0.67 0.00 0.00 178.83 179.10 2br3 h ALA 71 N 1.09 0.93 -0.59 3.87 0.00 -0.54 -0.38 119.26 123.64 2br3 h ALA 71 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2br3 h ALA 71 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2br3 h ALA 71 CO -0.02 0.24 0.11 0.28 0.00 0.00 0.00 179.25 179.86 2br3 h VAL 72 N 0.88 1.25 0.00 0.00 2.07 -1.02 -2.49 116.25 116.94 2br3 h VAL 72 Ca 0.28 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2br3 h VAL 72 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2br3 h VAL 72 CO -0.10 0.35 -0.35 1.88 0.02 0.00 0.00 177.57 179.37 2br3 h TYR 73 N 0.87 0.00 0.14 1.57 -1.99 -0.98 -2.26 116.97 114.32 2br3 h TYR 73 Ca 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 2br3 h TYR 73 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 2br3 h TYR 73 CO 0.03 0.35 -0.07 1.25 -0.00 0.00 0.00 178.16 179.73 2br3 h HIS 74 N 0.00 -0.17 -0.78 4.88 2.76 -0.74 -1.06 115.15 120.05 2br3 h HIS 74 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2br3 h HIS 74 Cb 0.90 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.88 2br3 h HIS 74 CO 0.00 0.12 0.44 -0.44 -1.30 0.00 0.00 177.93 176.75 2br3 h ASP 75 N -0.46 0.95 0.27 3.26 3.32 -1.35 -0.71 116.42 121.70 2br3 h ASP 75 Ca -0.02 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 2br3 h ASP 75 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2br3 h ASP 75 CO 0.03 0.75 -0.61 -0.03 -1.72 0.00 0.00 179.24 177.66 2br3 h MET 76 N 1.08 0.33 -0.07 3.56 4.05 -1.39 -1.43 114.93 121.06 2br3 h MET 76 Ca 0.28 -0.23 -0.20 0.00 -0.28 0.00 0.00 59.70 59.27 2br3 h MET 76 Cb -0.00 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2br3 h MET 76 CO -0.05 0.84 -0.78 -0.07 0.23 0.00 0.00 176.91 177.08 2br3 h LEU 77 N 0.25 0.56 -0.86 3.39 4.07 -0.73 -2.06 115.31 119.93 2br3 h LEU 77 Ca -0.01 -0.38 -0.10 0.00 0.08 0.00 0.00 57.88 57.47 2br3 h LEU 77 Cb 1.13 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 2br3 h LEU 77 CO 0.10 1.14 -0.50 -0.25 -1.08 0.00 0.00 178.44 177.86 2br3 h TRP 78 N 0.30 0.00 0.02 1.13 2.91 -0.99 -1.63 115.95 117.70 2br3 h TRP 78 Ca -0.04 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.85 2br3 h TRP 78 Cb 1.38 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.02 2br3 h TRP 78 CO 0.05 0.50 -0.69 1.49 -1.03 0.00 0.00 178.44 178.77 2br3 h GLU 79 N 0.00 0.05 0.00 2.65 4.81 -1.23 -3.39 114.58 117.47 2br3 h GLU 79 Ca -0.00 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 2br3 h GLU 79 Cb 0.99 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2br3 h GLU 79 CO 0.06 1.04 -1.37 1.25 -0.73 0.00 0.00 179.01 179.27 2br3 h LEU 80 N -0.86 0.00 -3.12 1.64 6.46 -1.47 -3.49 115.31 114.47 2br3 h LEU 80 Ca -0.17 -0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.19 2br3 h LEU 80 Cb 1.25 -0.00 0.09 0.00 -0.73 0.00 0.00 40.66 41.27 2br3 h LEU 80 CO -0.06 1.00 -0.88 0.54 -0.62 0.00 0.00 178.44 178.42 2br3 n ARG 81 N -3.19 -1.33 -2.21 1.25 1.74 -0.61 -4.81 116.66 107.49 2br3 n ARG 81 Ca -0.09 0.57 -0.40 0.00 -0.77 0.00 0.00 57.85 57.16 2br3 n ARG 81 Cb 1.00 -4.29 -0.02 0.00 -1.02 0.00 0.00 32.46 28.12 2br3 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br3 s PRO 82 N -5.59 4.36 0.23 5.56 0.04 -1.26 -4.64 135.00 133.70 2br3 s PRO 82 Ca 0.42 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.67 2br3 s PRO 82 Cb -0.14 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.40 2br3 s PRO 82 CO 0.84 -0.13 1.42 0.00 0.04 0.00 0.00 177.00 179.17 2br3 h ARG 83 N 3.35 0.00 -4.07 4.56 2.47 -1.00 -3.41 114.38 116.28 2br3 h ARG 83 Ca -0.48 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 57.95 2br3 h ARG 83 Cb 1.23 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.27 2br3 h ARG 83 CO 0.65 0.66 -0.74 0.99 0.56 0.00 0.00 179.97 182.10 2br3 s THR 84 N -2.96 0.24 -0.18 2.04 2.01 -0.94 -1.69 115.64 114.16 2br3 s THR 84 Ca 0.02 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2br3 s THR 84 Cb 0.09 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.42 2br3 s THR 84 CO 0.77 0.05 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.03 2br3 s ILE 85 N -0.13 1.40 -0.24 1.82 1.01 -0.63 -1.99 121.20 122.45 2br3 s ILE 85 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 2br3 s ILE 85 Cb -0.02 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 2br3 s ILE 85 CO -0.00 0.17 0.11 -0.69 0.00 0.00 0.00 174.94 174.53 2br3 s VAL 86 N 1.51 4.85 -0.23 2.92 1.01 0.01 -0.72 120.40 129.75 2br3 s VAL 86 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2br3 s VAL 86 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2br3 s VAL 86 CO -0.08 0.35 0.05 -1.61 0.00 0.00 0.00 175.10 173.81 2br3 s GLU 87 N 1.21 3.66 -0.43 2.72 0.41 0.77 -1.11 118.70 125.92 2br3 s GLU 87 Ca 0.06 -0.48 -0.16 0.00 -0.41 0.00 0.00 54.97 53.97 2br3 s GLU 87 Cb -0.14 -3.25 0.03 0.00 -1.78 0.00 0.00 34.13 28.99 2br3 s GLU 87 CO 0.05 -0.11 0.41 -1.17 -0.49 0.00 0.00 175.26 173.94 2br3 s LEU 88 N 1.37 5.06 0.00 1.80 0.20 0.71 -1.76 118.68 126.06 2br3 s LEU 88 Ca 0.05 -0.86 0.00 0.00 0.69 0.00 0.00 54.13 54.01 2br3 s LEU 88 Cb -0.15 -2.29 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 2br3 s LEU 88 CO 0.03 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.12 2br3 n GLY 89 N 5.14 0.18 0.83 7.98 0.00 0.31 -0.36 105.19 119.28 2br3 n GLY 89 Ca -0.09 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 2br3 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br3 n VAL 90 N 2.04 0.58 0.00 1.61 0.31 -1.25 -4.76 118.33 116.85 2br3 n VAL 90 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2br3 n VAL 90 Cb 0.00 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 2br3 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br3 n TYR 91 N -3.38 0.00 0.90 3.52 9.36 -1.26 -3.23 117.16 123.07 2br3 n TYR 91 Ca -0.09 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.24 2br3 n TYR 91 Cb 0.45 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.29 2br3 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br3 n ASN 92 N 11.40 0.63 0.00 2.98 6.94 -1.26 -2.33 115.26 133.62 2br3 n ASN 92 Ca 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 2br3 n ASN 92 Cb 0.00 0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 2br3 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br3 n GLY 93 N 1.47 0.75 0.20 4.83 0.00 -1.20 -0.11 105.19 111.12 2br3 n GLY 93 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2br3 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br3 h GLY 94 N 0.00 0.67 1.03 -0.02 0.00 -1.84 -1.75 103.07 101.16 2br3 h GLY 94 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2br3 h GLY 94 CO 0.00 0.03 0.07 1.76 0.00 0.00 0.00 176.54 178.40 2br3 h SER 95 N 0.38 0.92 0.23 0.19 0.02 -1.90 -1.83 113.55 111.56 2br3 h SER 95 Ca 0.23 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2br3 h SER 95 Cb 0.23 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2br3 h SER 95 CO -0.22 0.96 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.01 2br3 h LEU 96 N 0.84 -0.98 -0.61 5.07 4.07 -1.76 0.12 115.31 122.06 2br3 h LEU 96 Ca 0.17 0.10 0.10 0.00 0.08 0.00 0.00 57.88 58.32 2br3 h LEU 96 Cb 0.45 0.35 -0.07 0.00 1.08 0.00 0.00 40.66 42.46 2br3 h LEU 96 CO 0.02 -0.46 0.22 0.00 -1.08 0.00 0.00 178.44 177.14 2br3 h ALA 97 N -0.11 0.78 -0.11 1.53 0.00 -1.34 -1.56 119.26 118.45 2br3 h ALA 97 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2br3 h ALA 97 Cb 0.63 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2br3 h ALA 97 CO -0.13 -0.20 0.06 2.35 0.00 0.00 0.00 179.25 181.33 2br3 h TRP 98 N 0.40 0.16 -0.47 0.00 7.01 -0.89 -0.79 115.95 121.37 2br3 h TRP 98 Ca 0.31 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.33 2br3 h TRP 98 Cb 0.39 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 2br3 h TRP 98 CO -0.17 0.20 0.26 0.74 -2.79 0.00 0.00 178.44 176.68 2br3 h PHE 99 N 0.07 0.48 -0.15 2.65 0.05 -0.43 -0.06 116.94 119.55 2br3 h PHE 99 Ca 0.04 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.83 2br3 h PHE 99 Cb 0.09 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 2br3 h PHE 99 CO -0.04 0.26 0.02 -0.09 -0.18 0.00 0.00 178.31 178.28 2br3 h ARG 100 N 0.52 0.26 -0.84 1.51 1.12 -1.17 -2.00 114.38 113.78 2br3 h ARG 100 Ca 0.20 -0.07 0.01 0.00 -1.11 0.00 0.00 59.98 59.00 2br3 h ARG 100 Cb 0.06 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.95 2br3 h ARG 100 CO -0.11 0.45 0.55 -0.44 -3.11 0.00 0.00 179.97 177.31 2br3 h ASP 101 N 0.03 0.96 -0.07 -3.80 3.32 -0.93 -1.37 116.42 114.57 2br3 h ASP 101 Ca 0.05 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 2br3 h ASP 101 Cb 0.32 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.65 2br3 h ASP 101 CO 0.00 0.70 -0.86 0.25 -1.72 0.00 0.00 179.24 177.61 2br3 h LEU 102 N 1.13 0.88 -0.71 1.55 5.85 -0.86 -1.86 115.31 121.29 2br3 h LEU 102 Ca 0.31 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2br3 h LEU 102 Cb -0.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 2br3 h LEU 102 CO -0.07 1.44 0.35 0.71 -0.34 0.00 0.00 178.44 180.53 2br3 h THR 103 N 0.40 1.23 -0.53 1.05 1.35 -1.27 -2.23 112.91 112.91 2br3 h THR 103 Ca -0.09 -0.65 0.05 0.00 -0.55 0.00 0.00 66.41 65.18 2br3 h THR 103 Cb 1.51 0.34 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 2br3 h THR 103 CO 0.17 0.27 0.25 0.50 -0.25 0.00 0.00 175.52 176.47 2br3 h LYS 104 N 0.99 0.47 0.00 4.72 3.11 -1.15 -0.75 116.57 123.96 2br3 h LYS 104 Ca 0.25 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.99 2br3 h LYS 104 Cb 0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2br3 h LYS 104 CO -0.03 0.31 -0.32 0.82 -2.81 0.00 0.00 179.45 177.41 2br3 h ILE 105 N 0.48 1.21 -0.00 2.00 2.04 -1.10 -2.35 117.51 119.79 2br3 h ILE 105 Ca 0.24 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2br3 h ILE 105 Cb 0.18 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2br3 h ILE 105 CO -0.19 0.32 -0.26 0.23 0.00 0.00 0.00 178.15 178.25 2br3 n MET 106 N -4.12 0.29 -1.40 2.37 2.81 -0.86 -4.93 117.12 111.28 2br3 n MET 106 Ca -0.02 -0.13 -0.05 0.00 -1.81 0.00 0.00 57.70 55.70 2br3 n MET 106 Cb 0.37 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 2br3 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br3 n GLY 107 N 1.42 0.59 3.64 3.03 0.00 -0.84 -5.02 105.19 108.01 2br3 n GLY 107 Ca 0.09 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2br3 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br3 s ILE 108 N -2.19 5.18 -0.41 -0.61 1.01 -0.35 -5.03 121.20 118.80 2br3 s ILE 108 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 2br3 s ILE 108 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2br3 s ILE 108 CO 0.00 0.20 1.33 -0.62 0.00 0.00 0.00 174.94 175.85 2br3 s ASP 109 N 1.30 6.46 -0.09 3.58 2.15 -1.26 -4.16 116.67 124.65 2br3 s ASP 109 Ca 0.17 0.79 -0.05 0.00 0.43 0.00 0.00 52.55 53.90 2br3 s ASP 109 Cb -0.15 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2br3 s ASP 109 CO 0.09 -1.34 0.22 0.00 -0.17 0.00 0.00 175.17 173.97 2br3 s GLN 111 N 1.24 4.03 -0.15 0.00 -1.52 -0.68 -4.90 119.66 117.66 2br3 s GLN 111 Ca -0.09 0.30 -0.03 0.00 -1.95 0.00 0.00 55.36 53.58 2br3 s GLN 111 Cb -0.11 -3.30 -0.02 0.00 -0.22 0.00 0.00 33.01 29.35 2br3 s GLN 111 CO -0.08 0.50 -0.05 0.08 -0.25 0.00 0.00 175.29 175.49 2br3 s VAL 112 N -0.41 3.72 -0.08 1.09 1.01 -0.44 -1.60 120.40 123.69 2br3 s VAL 112 Ca 0.22 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2br3 s VAL 112 Cb -0.15 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2br3 s VAL 112 CO 0.10 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.88 2br3 s ILE 113 N 0.41 1.64 -0.07 2.22 1.01 0.10 -0.75 121.20 125.77 2br3 s ILE 113 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2br3 s ILE 113 Cb -0.15 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 2br3 s ILE 113 CO 0.03 0.47 -0.22 -0.83 0.00 0.00 0.00 174.94 174.39 2br3 s GLY 114 N 0.49 1.36 -0.09 6.18 0.00 -0.04 -0.17 107.32 115.06 2br3 s GLY 114 Ca -0.17 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.57 2br3 s GLY 114 CO 0.07 -0.59 -0.20 -0.42 0.00 0.00 0.00 173.10 171.96 2br3 s ILE 115 N -0.15 1.72 0.01 0.90 1.01 -0.72 -0.99 121.20 122.97 2br3 s ILE 115 Ca -0.03 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.57 2br3 s ILE 115 Cb -0.14 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.88 2br3 s ILE 115 CO 0.04 0.48 0.51 -0.62 0.00 0.00 0.00 174.94 175.35 2br3 s ASP 116 N 0.43 -0.43 0.28 3.58 -1.08 -1.00 -0.53 116.67 117.92 2br3 s ASP 116 Ca -0.17 0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 52.13 2br3 s ASP 116 Cb -0.17 0.46 0.39 0.00 -1.46 0.00 0.00 42.92 42.14 2br3 s ASP 116 CO 0.07 -0.63 1.88 -0.09 0.52 0.00 0.00 175.17 176.92 2br3 h ARG 117 N 3.09 0.99 -3.62 4.34 1.12 -1.64 -0.36 114.38 118.30 2br3 h ARG 117 Ca -0.30 -0.13 -0.58 0.00 -1.11 0.00 0.00 59.98 57.86 2br3 h ARG 117 Cb 1.18 -0.18 -0.40 0.00 -0.01 0.00 0.00 29.97 30.56 2br3 h ARG 117 CO 0.41 0.77 -0.76 0.34 -3.11 0.00 0.00 179.97 177.61 2br3 s ASP 118 N -6.43 3.88 -0.16 -3.80 2.15 -1.26 -4.52 116.67 106.53 2br3 s ASP 118 Ca -0.11 -1.51 0.14 0.00 0.43 0.00 0.00 52.55 51.51 2br3 s ASP 118 Cb 0.17 -0.86 0.70 0.00 -0.30 0.00 0.00 42.92 42.63 2br3 s ASP 118 CO 0.80 -0.39 1.59 0.18 -0.17 0.00 0.00 175.17 177.18 2br3 n LEU 119 N 4.85 4.85 0.21 -1.34 4.77 -1.26 -4.39 117.00 124.69 2br3 n LEU 119 Ca -0.03 -2.46 0.09 0.00 -0.03 0.00 0.00 56.01 53.58 2br3 n LEU 119 Cb 0.43 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 41.24 2br3 n LEU 119 CO 0.12 0.66 0.74 0.77 -1.33 0.00 0.00 177.39 178.35 2br3 h SER 120 N 3.67 0.00 1.26 -1.43 4.64 -1.94 -3.16 113.55 116.58 2br3 h SER 120 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2br3 h SER 120 Cb 1.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2br3 h SER 120 CO 0.34 0.24 -0.10 0.03 -0.87 0.00 0.00 176.83 176.46 2br3 h ARG 121 N 0.00 0.00 -6.72 4.77 -0.00 -1.77 -3.46 114.38 107.20 2br3 h ARG 121 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.90 2br3 h ARG 121 Cb 0.92 0.00 0.12 0.00 0.00 0.00 0.00 29.97 31.00 2br3 h ARG 121 CO 0.03 0.10 0.41 0.00 0.00 0.00 0.00 179.97 180.51 2br3 n GLN 123 N 0.39 0.43 -2.20 0.00 1.13 0.84 -4.97 117.38 112.99 2br3 n GLN 123 Ca 0.06 -0.76 -0.42 0.00 -1.94 0.00 0.00 57.00 53.94 2br3 n GLN 123 Cb 0.37 -0.91 -0.03 0.00 0.11 0.00 0.00 30.24 29.78 2br3 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br3 s ILE 124 N -0.31 3.68 0.26 5.09 1.01 -1.26 -4.96 121.20 124.71 2br3 s ILE 124 Ca 0.00 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 61.39 2br3 s ILE 124 Cb 0.00 -3.67 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 2br3 s ILE 124 CO 0.00 -0.01 1.48 -2.65 0.00 0.00 0.00 174.94 173.76 2br3 n PRO 125 N 5.55 2.30 0.28 2.79 -0.02 -1.26 -4.88 135.00 139.76 2br3 n PRO 125 Ca 0.14 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.56 2br3 n PRO 125 Cb 0.43 -2.52 0.82 0.00 -0.02 0.00 0.00 33.50 32.21 2br3 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2br3 h ALA 126 N 4.45 1.64 0.00 3.55 0.00 -2.02 -1.21 119.26 125.67 2br3 h ALA 126 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2br3 h ALA 126 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2br3 h ALA 126 CO 0.77 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.91 2br3 n SER 127 N -4.04 0.04 -2.77 0.00 3.41 -1.26 -3.57 113.62 105.44 2br3 n SER 127 Ca -0.03 -1.26 -0.01 0.00 -0.26 0.00 0.00 58.87 57.31 2br3 n SER 127 Cb 0.10 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2br3 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2br3 n ASP 128 N -0.45 1.68 -0.44 4.04 2.03 -0.46 -4.84 116.55 118.11 2br3 n ASP 128 Ca 0.00 -2.08 0.04 0.00 0.52 0.00 0.00 54.79 53.27 2br3 n ASP 128 Cb 0.01 -0.47 0.10 0.00 -0.72 0.00 0.00 41.12 40.04 2br3 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2br3 n MET 129 N -0.57 2.36 -1.67 -0.67 2.81 -1.23 -4.89 117.12 113.25 2br3 n MET 129 Ca 0.08 -1.72 -0.50 0.00 -1.81 0.00 0.00 57.70 53.75 2br3 n MET 129 Cb 0.82 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 32.08 2br3 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2br3 n GLU 130 N 0.29 1.82 -2.49 0.03 2.13 -1.26 -0.37 120.64 120.80 2br3 n GLU 130 Ca 0.08 0.66 -0.18 0.00 0.66 0.00 0.00 57.16 58.38 2br3 n GLU 130 Cb 0.35 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2br3 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br3 n ASN 131 N 4.98 -5.23 -4.03 4.31 3.02 -1.26 -4.99 115.26 112.05 2br3 n ASN 131 Ca 0.21 -0.08 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 2br3 n ASN 131 Cb 0.25 -4.25 -0.17 0.00 -0.61 0.00 0.00 39.78 35.00 2br3 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br3 s ILE 132 N -2.93 1.15 -0.13 2.41 1.01 0.51 -1.32 121.20 121.89 2br3 s ILE 132 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2br3 s ILE 132 Cb -0.03 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.41 2br3 s ILE 132 CO 0.09 0.36 -0.08 -0.89 0.00 0.00 0.00 174.94 174.41 2br3 s THR 133 N 0.67 1.15 -0.00 2.92 2.01 0.07 -4.95 115.64 117.51 2br3 s THR 133 Ca -0.14 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 2br3 s THR 133 Cb -0.16 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 2br3 s THR 133 CO 0.04 0.33 0.59 -0.76 -0.69 0.00 0.00 174.62 174.12 2br3 s LEU 134 N 1.65 4.42 -0.17 4.42 2.01 -1.26 -0.86 118.68 128.89 2br3 s LEU 134 Ca 0.04 1.16 0.00 0.00 0.01 0.00 0.00 54.13 55.34 2br3 s LEU 134 Cb -0.13 -2.91 0.01 0.00 0.01 0.00 0.00 46.19 43.16 2br3 s LEU 134 CO -0.09 0.12 -0.16 -1.00 1.01 0.00 0.00 176.35 176.23 2br3 s HIS 135 N -0.27 2.79 0.06 0.29 3.76 -0.16 -4.96 115.29 116.80 2br3 s HIS 135 Ca 0.31 -1.25 -0.27 0.00 -0.15 0.00 0.00 55.06 53.70 2br3 s HIS 135 Cb -0.18 -1.92 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 2br3 s HIS 135 CO 0.17 -0.60 0.84 -1.14 -0.85 0.00 0.00 174.74 173.16 2br3 s GLN 136 N 1.05 4.57 0.00 1.40 2.00 -1.26 -2.38 119.66 125.04 2br3 s GLN 136 Ca -0.01 1.21 0.00 0.00 -2.00 0.00 0.00 55.36 54.56 2br3 s GLN 136 Cb -0.15 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.29 2br3 s GLN 136 CO -0.05 0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.40 2br3 n GLY 137 N 2.37 2.17 3.70 2.59 0.00 -0.15 -4.93 105.19 110.94 2br3 n GLY 137 Ca -0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2br3 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br3 s ASP 138 N 0.00 7.01 0.14 1.61 3.68 -1.26 -1.67 116.67 126.18 2br3 s ASP 138 Ca 0.00 2.01 -0.14 0.00 2.13 0.00 0.00 52.55 56.55 2br3 s ASP 138 Cb 0.00 -2.57 0.01 0.00 -1.45 0.00 0.00 42.92 38.90 2br3 s ASP 138 CO 0.00 -0.55 1.63 0.00 0.13 0.00 0.00 175.17 176.38 2br3 n SER 140 N -4.50 7.33 -3.16 0.00 3.41 -1.26 -4.64 113.62 110.80 2br3 n SER 140 Ca 0.00 -2.65 0.04 0.00 -0.26 0.00 0.00 58.87 56.00 2br3 n SER 140 Cb 0.23 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 62.70 2br3 n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2br3 s ASP 141 N 1.78 -1.25 0.60 4.04 -1.08 -1.24 -5.02 116.67 114.49 2br3 s ASP 141 Ca 0.66 0.81 0.39 0.00 -0.52 0.00 0.00 52.55 53.90 2br3 s ASP 141 Cb 0.24 2.06 2.03 0.00 -1.46 0.00 0.00 42.92 45.79 2br3 s ASP 141 CO -0.06 -0.23 2.20 -0.07 0.52 0.00 0.00 175.17 177.53 2br3 h LEU 142 N 8.00 0.00 -0.41 -1.34 3.38 -1.89 -2.46 115.31 120.59 2br3 h LEU 142 Ca -0.22 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.83 2br3 h LEU 142 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2br3 h LEU 142 CO 0.21 0.00 -0.03 0.74 0.09 0.00 0.00 178.44 179.44 2br3 h THR 143 N 0.00 0.66 -0.99 0.22 2.02 -1.95 -1.94 112.91 110.93 2br3 h THR 143 Ca 0.00 -0.02 0.22 0.00 0.77 0.00 0.00 66.41 67.38 2br3 h THR 143 Cb 0.13 0.58 -0.12 0.00 -1.74 0.00 0.00 68.15 67.01 2br3 h THR 143 CO 0.00 0.01 0.58 0.74 0.37 0.00 0.00 175.52 177.22 2br3 h THR 144 N 0.07 0.58 0.01 3.16 2.02 -1.70 -1.65 112.91 115.41 2br3 h THR 144 Ca 0.20 -0.21 -0.29 0.00 0.77 0.00 0.00 66.41 66.88 2br3 h THR 144 Cb 0.29 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 2br3 h THR 144 CO -0.36 0.11 -1.65 -0.26 0.37 0.00 0.00 175.52 173.73 2br3 h PHE 145 N 0.62 0.05 0.00 3.16 -1.00 -1.70 -3.20 116.94 114.88 2br3 h PHE 145 Ca 0.61 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.35 2br3 h PHE 145 Cb 1.10 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.66 2br3 h PHE 145 CO -0.02 1.08 -0.01 0.93 -1.61 0.00 0.00 178.31 178.67 2br3 h GLU 146 N 0.01 0.00 0.00 1.51 5.08 -0.66 -2.64 114.58 117.88 2br3 h GLU 146 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2br3 h GLU 146 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2br3 h GLU 146 CO 0.09 0.01 -0.95 0.72 -1.00 0.00 0.00 179.01 177.89 2br3 n HIS 147 N -3.92 0.24 -1.80 4.33 8.25 -0.69 -4.92 115.22 116.71 2br3 n HIS 147 Ca -0.03 0.07 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 2br3 n HIS 147 Cb 0.10 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 30.84 2br3 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br3 s LEU 148 N -3.80 3.82 0.93 2.41 1.43 -1.00 -5.02 118.68 117.45 2br3 s LEU 148 Ca 0.05 2.72 -0.14 0.00 -1.03 0.00 0.00 54.13 55.73 2br3 s LEU 148 Cb 0.15 -4.32 0.16 0.00 0.03 0.00 0.00 46.19 42.20 2br3 s LEU 148 CO 0.79 -1.60 1.18 -0.60 0.23 0.00 0.00 176.35 176.35 2br3 s ARG 149 N -2.97 0.95 -0.14 1.70 3.52 -1.26 -5.00 118.95 115.75 2br3 s ARG 149 Ca 0.73 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 56.09 2br3 s ARG 149 Cb -0.39 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 2br3 s ARG 149 CO 0.46 -2.28 1.29 -1.83 -0.81 0.00 0.00 175.30 172.12 2br3 s GLU 150 N -5.49 4.24 0.28 5.12 -1.05 -1.26 -5.03 118.70 115.52 2br3 s GLU 150 Ca 0.66 1.71 0.05 0.00 -0.15 0.00 0.00 54.97 57.25 2br3 s GLU 150 Cb -0.11 -3.75 -0.02 0.00 -0.44 0.00 0.00 34.13 29.81 2br3 s GLU 150 CO 0.53 -0.68 0.41 -1.64 0.95 0.00 0.00 175.26 174.83 2br3 s MET 151 N 3.34 3.31 0.32 -4.83 -1.94 -1.26 -5.10 119.30 113.14 2br3 s MET 151 Ca 0.56 -0.85 -0.20 0.00 -1.71 0.00 0.00 55.69 53.50 2br3 s MET 151 Cb -0.23 -2.85 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 2br3 s MET 151 CO 0.17 0.27 0.82 0.00 -0.01 0.00 0.00 175.02 176.26 2br3 s ALA 152 N -2.07 3.26 0.17 3.03 0.00 -1.26 -5.06 121.76 119.83 2br3 s ALA 152 Ca 0.39 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.66 2br3 s ALA 152 Cb -0.09 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2br3 s ALA 152 CO 0.30 0.26 -0.00 -1.01 0.00 0.00 0.00 175.76 175.31 2br3 s HIS 153 N -1.84 2.85 0.83 0.00 3.76 -1.26 -3.35 115.29 116.27 2br3 s HIS 153 Ca 0.52 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.19 2br3 s HIS 153 Cb -0.13 -1.38 0.09 0.00 1.11 0.00 0.00 32.58 32.27 2br3 s HIS 153 CO 0.18 0.52 1.10 -2.14 -0.85 0.00 0.00 174.74 173.55 2br3 s PRO 154 N -2.92 1.80 0.03 8.40 0.02 -1.26 -4.49 135.00 136.58 2br3 s PRO 154 Ca 0.27 1.16 0.03 0.00 0.02 0.00 0.00 61.00 62.47 2br3 s PRO 154 Cb -0.09 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2br3 s PRO 154 CO 0.18 -1.96 -0.08 -1.17 -0.33 0.00 0.00 177.00 173.64 2br3 s LEU 155 N -6.11 2.18 -0.14 -5.54 0.20 -1.26 -0.49 118.68 107.52 2br3 s LEU 155 Ca 0.63 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.03 2br3 s LEU 155 Cb -0.18 -0.28 0.02 0.00 -0.43 0.00 0.00 46.19 45.32 2br3 s LEU 155 CO 0.57 -0.09 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.79 2br3 s ILE 156 N -0.96 1.38 -0.19 6.68 1.01 -0.84 -1.86 121.20 126.43 2br3 s ILE 156 Ca -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 2br3 s ILE 156 Cb -0.08 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2br3 s ILE 156 CO 0.00 0.42 -0.03 0.12 0.00 0.00 0.00 174.94 175.45 2br3 s PHE 157 N 1.56 2.99 -0.13 3.97 5.36 -0.24 -0.81 117.98 130.69 2br3 s PHE 157 Ca 0.05 -0.56 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 2br3 s PHE 157 Cb -0.13 -2.03 0.02 0.00 -0.34 0.00 0.00 43.02 40.54 2br3 s PHE 157 CO -0.10 -0.26 -0.15 0.42 -1.46 0.00 0.00 175.22 173.67 2br3 s ILE 158 N 0.89 1.59 -0.58 3.12 1.01 -0.27 -0.68 121.20 126.28 2br3 s ILE 158 Ca -0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 2br3 s ILE 158 Cb -0.15 -1.47 0.09 0.00 0.01 0.00 0.00 42.46 40.95 2br3 s ILE 158 CO 0.01 0.46 0.71 -0.62 0.00 0.00 0.00 174.94 175.51 2br3 s ASP 159 N 1.25 6.19 -0.03 3.58 3.68 0.37 -0.21 116.67 131.50 2br3 s ASP 159 Ca -0.00 -1.33 0.18 0.00 2.13 0.00 0.00 52.55 53.53 2br3 s ASP 159 Cb -0.14 -2.31 0.56 0.00 -1.45 0.00 0.00 42.92 39.58 2br3 s ASP 159 CO -0.07 -1.11 1.47 0.47 0.13 0.00 0.00 175.17 176.06 2br3 n ASP 160 N 6.41 3.81 -0.11 -0.34 8.00 0.52 -2.61 116.55 132.23 2br3 n ASP 160 Ca -0.09 -2.12 -0.20 0.00 0.71 0.00 0.00 54.79 53.09 2br3 n ASP 160 Cb 0.43 -0.43 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2br3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br3 n ALA 161 N 1.14 1.54 -1.71 2.24 0.00 -0.92 -4.76 120.51 118.03 2br3 n ALA 161 Ca 0.21 -0.91 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 2br3 n ALA 161 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 2br3 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br3 n HIS 162 N -3.59 -0.17 -5.12 0.00 8.25 -1.26 -5.03 115.22 108.30 2br3 n HIS 162 Ca -0.41 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.73 2br3 n HIS 162 Cb 0.86 -1.70 -0.17 0.00 1.12 0.00 0.00 29.99 30.10 2br3 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br3 s ALA 163 N -2.29 2.06 -1.52 -1.41 0.00 -1.26 -4.67 121.76 112.67 2br3 s ALA 163 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2br3 s ALA 163 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.35 2br3 s ALA 163 CO 0.00 0.25 0.44 -1.71 0.00 0.00 0.00 175.76 174.75 2br3 n ASN 164 N 3.58 -5.54 -0.14 0.00 4.05 -1.26 -4.55 115.26 111.41 2br3 n ASN 164 Ca -0.20 -0.22 -0.12 0.00 0.45 0.00 0.00 54.58 54.49 2br3 n ASN 164 Cb 0.53 -4.52 -0.01 0.00 1.23 0.00 0.00 39.78 37.00 2br3 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br3 h THR 165 N -0.99 1.27 0.00 -0.44 2.02 -1.97 -2.81 112.91 110.00 2br3 h THR 165 Ca -0.49 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.24 2br3 h THR 165 Cb 1.34 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2br3 h THR 165 CO 0.55 0.47 -0.29 -0.26 0.37 0.00 0.00 175.52 176.36 2br3 h PHE 166 N 0.74 0.00 -0.15 3.16 -1.00 -1.98 -2.10 116.94 115.61 2br3 h PHE 166 Ca 0.09 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.69 2br3 h PHE 166 Cb 0.81 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.37 2br3 h PHE 166 CO 0.06 0.29 -0.61 -0.91 -1.61 0.00 0.00 178.31 175.52 2br3 h ASN 167 N 0.00 0.79 -0.44 2.17 2.35 -1.90 -2.65 115.58 115.90 2br3 h ASN 167 Ca -0.00 -0.62 0.07 0.00 -0.55 0.00 0.00 56.30 55.20 2br3 h ASN 167 Cb 0.64 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2br3 h ASN 167 CO 0.04 1.28 0.30 0.40 -1.65 0.00 0.00 177.43 177.80 2br3 h ILE 168 N 0.35 0.92 -0.00 2.81 2.04 -1.25 -2.03 117.51 120.35 2br3 h ILE 168 Ca -0.04 -0.10 -0.26 0.00 1.00 0.00 0.00 64.86 65.47 2br3 h ILE 168 Cb 1.25 0.61 0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2br3 h ILE 168 CO 0.13 0.05 -1.02 -0.03 0.00 0.00 0.00 178.15 177.28 2br3 h MET 169 N 0.29 0.64 -0.55 2.37 4.05 -1.30 -1.53 114.93 118.90 2br3 h MET 169 Ca 0.20 -0.69 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 2br3 h MET 169 Cb 0.42 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 2br3 h MET 169 CO -0.04 1.28 0.14 -0.22 0.23 0.00 0.00 176.91 178.30 2br3 h LYS 170 N 0.36 0.83 -0.40 0.39 3.64 -1.09 -1.25 116.57 119.05 2br3 h LYS 170 Ca -0.12 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 2br3 h LYS 170 Cb 1.67 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 2br3 h LYS 170 CO 0.20 0.74 0.06 2.35 -2.27 0.00 0.00 179.45 180.53 2br3 h TRP 171 N 0.80 0.71 -0.46 1.91 7.01 -1.32 -2.79 115.95 121.80 2br3 h TRP 171 Ca 0.18 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 2br3 h TRP 171 Cb 0.28 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2br3 h TRP 171 CO 0.02 0.69 0.28 0.00 -2.79 0.00 0.00 178.44 176.65 2br3 h ALA 172 N 0.92 0.59 -0.44 2.65 0.00 -0.74 -1.09 119.26 121.15 2br3 h ALA 172 Ca 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2br3 h ALA 172 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2br3 h ALA 172 CO 0.01 0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.61 2br3 h VAL 173 N 0.62 1.23 0.00 0.00 2.07 -1.25 -1.10 116.25 117.82 2br3 h VAL 173 Ca 0.17 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 2br3 h VAL 173 Cb -0.02 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2br3 h VAL 173 CO -0.03 0.33 -0.39 0.44 0.02 0.00 0.00 177.57 177.94 2br3 h ASP 174 N 0.68 0.00 0.00 0.57 3.32 -1.16 -3.42 116.42 116.40 2br3 h ASP 174 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2br3 h ASP 174 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2br3 h ASP 174 CO 0.02 0.10 -0.10 1.41 -1.72 0.00 0.00 179.24 178.95 2br3 n HIS 175 N -3.00 0.00 0.06 4.55 8.25 -0.46 -4.98 115.22 119.65 2br3 n HIS 175 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2br3 n HIS 175 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2br3 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br3 n LEU 176 N -0.32 0.19 -4.75 2.41 7.94 -0.70 -5.04 117.00 116.72 2br3 n LEU 176 Ca 0.00 0.21 -0.41 0.00 -1.11 0.00 0.00 56.01 54.69 2br3 n LEU 176 Cb 0.00 0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.00 2br3 n LEU 176 CO 0.00 -0.58 1.12 -0.76 -1.11 0.00 0.00 177.39 176.06 2br3 s LEU 177 N -6.31 4.38 0.31 -1.96 1.43 -0.50 -5.03 118.68 111.00 2br3 s LEU 177 Ca 0.00 2.72 0.09 0.00 -1.03 0.00 0.00 54.13 55.91 2br3 s LEU 177 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2br3 s LEU 177 CO 0.00 -0.73 0.02 -1.61 0.23 0.00 0.00 176.35 174.26 2br3 s GLU 178 N -0.51 2.17 0.03 1.70 2.02 -1.26 -4.93 118.70 117.91 2br3 s GLU 178 Ca 0.59 -1.62 -0.39 0.00 0.02 0.00 0.00 54.97 53.58 2br3 s GLU 178 Cb -0.43 -2.03 -0.19 0.00 0.10 0.00 0.00 34.13 31.58 2br3 s GLU 178 CO 0.45 0.21 1.18 -1.91 0.02 0.00 0.00 175.26 175.21 2br3 n GLU 179 N -0.95 0.44 -0.07 1.61 0.00 -1.26 -1.27 120.64 119.13 2br3 n GLU 179 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2br3 n GLU 179 Cb 0.61 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.33 2br3 n GLU 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2br3 n GLY 180 N 1.92 1.60 3.82 8.31 0.00 -1.23 -4.98 105.19 114.63 2br3 n GLY 180 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2br3 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br3 s ASP 181 N -3.12 6.90 -0.14 1.61 1.01 -0.40 -4.76 116.67 117.77 2br3 s ASP 181 Ca 0.00 1.66 -0.06 0.00 0.71 0.00 0.00 52.55 54.86 2br3 s ASP 181 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2br3 s ASP 181 CO 0.00 -0.38 0.06 -0.31 0.21 0.00 0.00 175.17 174.75 2br3 s TYR 182 N -2.22 3.31 -0.35 4.23 1.51 -0.78 -1.83 117.35 121.22 2br3 s TYR 182 Ca 0.61 0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 56.88 2br3 s TYR 182 Cb -0.09 -1.95 0.08 0.00 -0.11 0.00 0.00 41.96 39.89 2br3 s TYR 182 CO 0.15 0.40 0.08 0.12 -1.11 0.00 0.00 175.55 175.19 2br3 s PHE 183 N -0.37 3.47 -0.16 2.71 5.36 0.74 -1.07 117.98 128.66 2br3 s PHE 183 Ca 0.09 -2.27 -0.06 0.00 -0.96 0.00 0.00 56.93 53.73 2br3 s PHE 183 Cb -0.12 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2br3 s PHE 183 CO 0.02 -0.89 0.03 0.42 -1.46 0.00 0.00 175.22 173.33 2br3 s ILE 184 N 1.15 4.52 -0.36 3.12 1.01 0.14 -2.39 121.20 128.39 2br3 s ILE 184 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2br3 s ILE 184 Cb -0.21 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.32 2br3 s ILE 184 CO -0.03 0.50 0.14 -0.63 0.00 0.00 0.00 174.94 174.92 2br3 s ILE 185 N 0.11 3.77 0.22 2.92 1.01 0.17 -0.48 121.20 128.92 2br3 s ILE 185 Ca 0.03 -1.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 2br3 s ILE 185 Cb -0.13 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 2br3 s ILE 185 CO 0.01 -0.30 1.05 -1.61 0.00 0.00 0.00 174.94 174.09 2br3 s GLU 186 N 1.37 4.69 0.00 2.79 2.02 -1.07 -4.50 118.70 124.00 2br3 s GLU 186 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.66 2br3 s GLU 186 Cb -0.21 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2br3 s GLU 186 CO 0.02 0.25 0.00 -0.25 0.02 0.00 0.00 175.26 175.30 2br3 n ASP 187 N 1.77 0.00 -0.01 -0.19 8.00 0.11 -4.65 116.55 121.58 2br3 n ASP 187 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2br3 n ASP 187 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 2br3 n ASP 187 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2br3 n MET 188 N 0.00 0.63 -0.11 -1.24 1.56 -1.26 -4.38 117.12 112.32 2br3 n MET 188 Ca 0.00 0.26 -0.10 0.00 -0.27 0.00 0.00 57.70 57.60 2br3 n MET 188 Cb 0.00 -1.79 -0.02 0.00 2.15 0.00 0.00 33.22 33.56 2br3 n MET 188 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2br3 h ILE 189 N 0.00 1.19 -0.45 1.12 2.04 -1.83 -1.60 117.51 117.98 2br3 h ILE 189 Ca -0.25 -0.57 0.12 0.00 1.00 0.00 0.00 64.86 65.15 2br3 h ILE 189 Cb 1.88 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2br3 h ILE 189 CO 0.07 0.20 0.32 -0.65 0.00 0.00 0.00 178.15 178.08 2br3 h PRO 190 N 0.38 0.06 0.02 2.37 0.11 -1.80 -1.47 132.00 131.67 2br3 h PRO 190 Ca 0.11 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 2br3 h PRO 190 Cb 0.19 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.30 2br3 h PRO 190 CO -0.01 0.04 -0.69 1.88 -0.21 0.00 0.00 178.00 179.01 2br3 h TYR 191 N 0.06 0.65 -0.85 0.65 -1.99 -1.56 -2.51 116.97 111.42 2br3 h TYR 191 Ca 0.21 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.57 2br3 h TYR 191 Cb 0.77 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.39 2br3 h TYR 191 CO -0.00 1.20 0.55 -1.49 -0.00 0.00 0.00 178.16 178.42 2br3 h TRP 192 N -0.08 1.09 -0.51 4.88 6.55 -1.05 -0.54 115.95 126.28 2br3 h TRP 192 Ca -0.09 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.67 2br3 h TRP 192 Cb 1.41 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 29.33 2br3 h TRP 192 CO 0.15 0.70 -0.06 -0.92 -1.05 0.00 0.00 178.44 177.26 2br3 h TYR 193 N 1.17 1.00 -0.52 0.49 3.20 -1.33 -0.89 116.97 120.08 2br3 h TYR 193 Ca 0.31 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 2br3 h TYR 193 Cb -0.10 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 2br3 h TYR 193 CO 0.00 0.93 -0.08 -0.09 -1.64 0.00 0.00 178.16 177.28 2br3 h ARG 194 N 0.83 0.97 0.00 1.82 9.65 -0.91 -2.60 114.38 124.14 2br3 h ARG 194 Ca 0.14 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2br3 h ARG 194 Cb 0.57 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2br3 h ARG 194 CO 0.03 1.02 -0.89 0.66 2.80 0.00 0.00 179.97 183.59 2br3 n TYR 195 N -4.21 0.52 -2.75 2.20 0.53 -0.28 -4.59 117.16 108.57 2br3 n TYR 195 Ca 0.01 0.15 -0.09 0.00 -1.02 0.00 0.00 57.90 56.95 2br3 n TYR 195 Cb 0.38 -0.63 0.09 0.00 -1.03 0.00 0.00 39.34 38.14 2br3 n TYR 195 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br3 n ALA 196 N -1.91 0.61 -0.31 -0.72 0.00 -0.35 -5.02 120.51 112.82 2br3 n ALA 196 Ca 0.02 -1.70 0.02 0.00 0.00 0.00 0.00 53.44 51.77 2br3 n ALA 196 Cb 0.46 -1.06 0.21 0.00 0.00 0.00 0.00 19.45 19.06 2br3 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br3 h PRO 197 N 2.60 1.09 0.34 0.00 0.13 -1.60 -0.87 132.00 133.69 2br3 h PRO 197 Ca -0.15 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2br3 h PRO 197 Cb 1.17 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2br3 h PRO 197 CO 0.11 0.72 -0.16 0.37 -0.23 0.00 0.00 178.00 178.81 2br3 h GLN 198 N 1.12 -0.44 -0.46 0.86 5.75 -1.93 -1.76 115.11 118.25 2br3 h GLN 198 Ca 0.36 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.83 2br3 h GLN 198 Cb 0.04 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2br3 h GLN 198 CO -0.11 -0.11 0.05 -0.07 -2.65 0.00 0.00 178.83 175.94 2br3 h LEU 199 N -0.88 0.68 -0.24 -2.39 3.38 -1.94 -2.48 115.31 111.45 2br3 h LEU 199 Ca -0.05 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2br3 h LEU 199 Cb 0.53 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2br3 h LEU 199 CO 0.08 0.72 -0.33 0.15 0.09 0.00 0.00 178.44 179.14 2br3 h PHE 200 N 0.69 0.80 -0.36 1.13 3.57 -1.21 -1.34 116.94 120.23 2br3 h PHE 200 Ca 0.15 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.40 2br3 h PHE 200 Cb 0.36 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2br3 h PHE 200 CO 0.02 1.01 0.21 0.77 -2.23 0.00 0.00 178.31 178.09 2br3 h SER 201 N 0.36 0.35 -0.27 0.41 0.02 -1.15 -1.51 113.55 111.75 2br3 h SER 201 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2br3 h SER 201 Cb 0.92 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2br3 h SER 201 CO 0.08 0.25 0.03 -0.08 -1.14 0.00 0.00 176.83 175.98 2br3 h GLU 202 N 0.44 0.46 -0.60 3.45 4.81 -1.41 -0.58 114.58 121.15 2br3 h GLU 202 Ca 0.14 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2br3 h GLU 202 Cb -0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2br3 h GLU 202 CO -0.06 0.59 0.36 1.88 -0.73 0.00 0.00 179.01 181.05 2br3 h TYR 203 N 0.27 0.79 -0.29 0.92 0.99 -1.12 -1.36 116.97 117.18 2br3 h TYR 203 Ca 0.08 -0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.64 2br3 h TYR 203 Cb 0.36 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.83 2br3 h TYR 203 CO 0.03 0.54 -0.49 1.25 -0.00 0.00 0.00 178.16 179.49 2br3 h LEU 204 N 0.80 0.85 -2.44 3.88 6.46 -1.24 -2.82 115.31 120.80 2br3 h LEU 204 Ca 0.21 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2br3 h LEU 204 Cb -0.02 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.67 2br3 h LEU 204 CO -0.04 1.19 -0.03 1.23 -0.62 0.00 0.00 178.44 180.18 2br3 h GLY 205 N 0.85 0.00 2.00 3.75 0.00 -0.62 -2.32 103.07 106.72 2br3 h GLY 205 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2br3 h GLY 205 CO 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.56 2br3 h ALA 206 N 1.97 1.20 -0.55 3.60 0.00 -0.99 -2.17 119.26 122.32 2br3 h ALA 206 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2br3 h ALA 206 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2br3 h ALA 206 CO 0.00 0.11 0.06 1.19 0.00 0.00 0.00 179.25 180.62 2br3 n PHE 207 N -3.48 1.93 0.26 0.00 3.01 -0.87 -4.61 117.46 113.70 2br3 n PHE 207 Ca -0.02 -0.75 0.11 0.00 1.01 0.00 0.00 57.45 57.80 2br3 n PHE 207 Cb 0.23 -0.51 0.70 0.00 -0.01 0.00 0.00 39.48 39.89 2br3 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br3 h ARG 208 N 3.22 0.00 -0.02 -1.08 0.11 -1.54 -0.34 114.38 114.73 2br3 h ARG 208 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2br3 h ARG 208 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 2br3 h ARG 208 CO 0.49 0.10 -0.03 -0.25 0.10 0.00 0.00 179.97 180.38 2br3 n ASP 209 N -3.95 1.91 0.00 0.08 8.00 -1.26 -4.50 116.55 116.84 2br3 n ASP 209 Ca -0.02 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.88 2br3 n ASP 209 Cb 0.19 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2br3 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br3 n VAL 210 N 0.45 0.00 -4.22 2.53 0.24 -0.95 -4.84 118.33 111.54 2br3 n VAL 210 Ca 0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.29 2br3 n VAL 210 Cb 0.43 -0.28 -0.11 0.00 -1.47 0.00 0.00 33.84 32.41 2br3 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br3 s LEU 211 N -2.04 2.37 0.04 1.34 1.43 -0.18 -2.42 118.68 119.22 2br3 s LEU 211 Ca 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2br3 s LEU 211 Cb 0.00 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 2br3 s LEU 211 CO 0.00 -0.14 -0.04 -0.94 0.23 0.00 0.00 176.35 175.46 2br3 s SER 212 N -2.26 0.48 -0.12 2.29 1.04 -0.73 -4.43 113.70 109.97 2br3 s SER 212 Ca 0.06 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 2br3 s SER 212 Cb -0.06 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2br3 s SER 212 CO 0.02 -0.45 1.04 -0.32 0.98 0.00 0.00 173.24 174.51 2br3 s MET 213 N -2.81 4.39 -0.71 4.02 1.75 -1.26 -2.01 119.30 122.66 2br3 s MET 213 Ca -0.02 1.42 -0.25 0.00 -1.25 0.00 0.00 55.69 55.58 2br3 s MET 213 Cb -0.00 -3.56 0.05 0.00 2.84 0.00 0.00 34.83 34.15 2br3 s MET 213 CO -0.05 -0.38 1.16 0.34 -0.65 0.00 0.00 175.02 175.44 2br3 s ASP 214 N 1.16 6.17 0.00 1.11 -1.08 -0.78 -4.90 116.67 118.35 2br3 s ASP 214 Ca 0.49 -0.68 0.17 0.00 -0.52 0.00 0.00 52.55 52.01 2br3 s ASP 214 Cb -0.19 -2.50 0.76 0.00 -1.46 0.00 0.00 42.92 39.53 2br3 s ASP 214 CO 0.17 -1.68 1.53 0.23 0.52 0.00 0.00 175.17 175.94 2br3 n MET 215 N 8.71 0.07 0.14 4.34 2.81 -1.26 -1.41 117.12 130.51 2br3 n MET 215 Ca 0.01 0.19 0.02 0.00 -1.81 0.00 0.00 57.70 56.10 2br3 n MET 215 Cb 0.48 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.54 2br3 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br3 h LEU 216 N 0.00 0.00 0.00 4.03 5.85 -1.99 -3.38 115.31 119.82 2br3 h LEU 216 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2br3 h LEU 216 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2br3 h LEU 216 CO 0.00 0.55 -0.97 -1.22 -0.34 0.00 0.00 178.44 176.46 2br3 n TYR 217 N -3.30 0.00 0.29 1.25 0.53 -0.96 -4.78 117.16 110.20 2br3 n TYR 217 Ca 0.01 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.07 2br3 n TYR 217 Cb 0.73 0.00 0.88 0.00 -1.03 0.00 0.00 39.34 39.92 2br3 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br3 h ALA 218 N 0.00 1.12 -0.16 -0.72 0.00 -1.41 -2.70 119.26 115.39 2br3 h ALA 218 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2br3 h ALA 218 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2br3 h ALA 218 CO 0.00 0.06 -0.08 0.09 0.00 0.00 0.00 179.25 179.32 2br3 n ASN 219 N -3.31 2.80 -0.87 0.00 3.02 -1.26 -1.03 115.26 114.61 2br3 n ASN 219 Ca -0.02 -3.31 0.10 0.00 -0.03 0.00 0.00 54.58 51.32 2br3 n ASN 219 Cb 0.20 -0.52 0.13 0.00 -0.61 0.00 0.00 39.78 38.98 2br3 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br3 n ALA 220 N -1.03 2.42 -3.60 5.41 0.00 -1.02 -4.95 120.51 117.73 2br3 n ALA 220 Ca 0.22 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 2br3 n ALA 220 Cb 0.81 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 2br3 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2br3 s SER 221 N -1.42 -0.45 0.33 0.00 0.15 -1.26 -4.80 113.70 106.25 2br3 s SER 221 Ca 0.28 0.70 0.14 0.00 0.70 0.00 0.00 55.95 57.77 2br3 s SER 221 Cb 0.17 0.66 0.57 0.00 -1.71 0.00 0.00 66.02 65.71 2br3 s SER 221 CO 0.25 -0.27 1.71 0.77 1.20 0.00 0.00 173.24 176.90 2br3 h SER 222 N 3.50 0.00 0.43 5.45 4.64 -1.96 -2.40 113.55 123.21 2br3 h SER 222 Ca -0.24 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.83 2br3 h SER 222 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2br3 h SER 222 CO 0.21 0.47 -1.09 1.56 -0.87 0.00 0.00 176.83 177.11 2br3 h GLN 223 N 0.00 0.38 -0.30 4.77 4.20 -1.97 -3.26 115.11 118.92 2br3 h GLN 223 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2br3 h GLN 223 Cb 0.92 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2br3 h GLN 223 CO 0.06 1.18 0.00 1.28 -0.67 0.00 0.00 178.83 180.68 2br3 n LEU 224 N -3.67 2.75 -4.49 1.46 4.77 -1.22 0.05 117.00 116.65 2br3 n LEU 224 Ca -0.08 -1.18 -0.48 0.00 -0.03 0.00 0.00 56.01 54.24 2br3 n LEU 224 Cb 0.92 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.76 2br3 n LEU 224 CO 0.53 0.59 1.83 -0.67 -1.33 0.00 0.00 177.39 178.33 2br3 n ASP 225 N 1.03 2.44 -1.39 -1.43 2.03 -0.90 -1.07 116.55 117.26 2br3 n ASP 225 Ca 0.18 0.33 -0.12 0.00 0.52 0.00 0.00 54.79 55.69 2br3 n ASP 225 Cb 0.50 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.54 2br3 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br3 n ARG 226 N 8.39 -0.98 -0.37 -0.67 1.74 -0.19 -4.55 116.66 120.03 2br3 n ARG 226 Ca 0.38 0.61 0.03 0.00 -0.77 0.00 0.00 57.85 58.10 2br3 n ARG 226 Cb 0.30 -4.79 0.04 0.00 -1.02 0.00 0.00 32.46 26.99 2br3 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br3 n GLY 227 N -1.03 1.66 3.38 -0.13 0.00 -0.23 -4.92 105.19 103.91 2br3 n GLY 227 Ca -0.15 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2br3 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br3 s VAL 228 N -0.80 4.49 0.13 1.61 1.01 -1.25 -0.66 120.40 124.94 2br3 s VAL 228 Ca 0.09 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2br3 s VAL 228 Cb 0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2br3 s VAL 228 CO 0.01 -0.17 -0.18 -0.76 0.00 0.00 0.00 175.10 174.00 2br3 s LEU 229 N 1.55 2.37 0.14 3.92 1.43 -1.01 -1.87 118.68 125.22 2br3 s LEU 229 Ca 0.02 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 2br3 s LEU 229 Cb -0.19 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.29 2br3 s LEU 229 CO 0.06 -0.02 0.42 0.00 0.23 0.00 0.00 176.35 177.04 2br3 s ARG 230 N -2.38 1.13 0.09 1.70 1.70 -0.85 -0.18 118.95 120.16 2br3 s ARG 230 Ca 0.10 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 2br3 s ARG 230 Cb -0.07 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 2br3 s ARG 230 CO 0.05 -0.45 1.20 0.50 -1.08 0.00 0.00 175.30 175.52 2br3 s ARG 231 N -3.82 4.45 0.00 3.89 3.00 -0.76 -1.78 118.95 123.93 2br3 s ARG 231 Ca 0.04 1.80 0.00 0.00 -1.00 0.00 0.00 55.73 56.57 2br3 s ARG 231 Cb 0.01 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.64 2br3 s ARG 231 CO -0.10 -0.22 0.00 0.28 0.00 0.00 0.00 175.30 175.26 2br3 n VAL 232 N 3.62 -0.55 -0.60 7.11 0.31 -1.02 -3.49 118.33 123.72 2br3 n VAL 232 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2br3 n VAL 232 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2br3 n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51