#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br1 s GLN 3 N 0.00 2.15 1.01 0.00 -1.52 -1.26 -5.12 119.66 114.92 1br1 s GLN 3 Ca 0.00 -1.85 -0.26 0.00 -1.95 0.00 0.00 55.36 51.30 1br1 s GLN 3 Cb 0.00 -1.92 -0.14 0.00 -0.22 0.00 0.00 33.01 30.74 1br1 s GLN 3 CO 0.00 -0.03 -1.24 1.17 -0.25 0.00 0.00 175.29 174.94 1br1 n LYS 4 N -1.11 -0.31 -3.94 2.91 4.81 -1.26 -4.91 118.16 114.35 1br1 n LYS 4 Ca -0.03 -0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.01 1br1 n LYS 4 Cb 0.64 -1.13 -0.05 0.00 0.02 0.00 0.00 35.03 34.52 1br1 n LYS 4 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1br1 s PRO 5 N -2.27 3.36 -0.18 1.64 0.04 -1.26 -4.93 135.00 131.40 1br1 s PRO 5 Ca 0.39 -0.42 -0.05 0.00 0.04 0.00 0.00 61.00 60.96 1br1 s PRO 5 Cb 0.07 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 1br1 s PRO 5 CO 0.64 0.64 0.00 -0.51 0.04 0.00 0.00 177.00 177.81 1br1 s LEU 6 N -2.22 3.37 0.47 -3.56 1.43 -1.26 -5.08 118.68 111.84 1br1 s LEU 6 Ca 0.31 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1br1 s LEU 6 Cb -0.13 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 1br1 s LEU 6 CO 0.23 0.11 1.35 -0.24 0.23 0.00 0.00 176.35 178.03 1br1 n SER 7 N 3.91 2.83 -0.59 2.29 2.88 -1.26 -4.76 113.62 118.92 1br1 n SER 7 Ca -0.17 1.07 0.47 0.00 -1.33 0.00 0.00 58.87 58.90 1br1 n SER 7 Cb 0.52 -1.56 0.75 0.00 -0.75 0.00 0.00 64.21 63.17 1br1 n SER 7 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1br1 h ASP 8 N 1.93 0.10 0.04 -3.46 3.04 -1.99 0.13 116.42 116.21 1br1 h ASP 8 Ca -0.50 0.08 -0.00 0.00 -3.24 0.00 0.00 57.03 53.37 1br1 h ASP 8 Cb 1.29 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.66 1br1 h ASP 8 CO 0.59 -0.14 -0.02 0.44 -2.04 0.00 0.00 179.24 178.07 1br1 h ASP 9 N 0.00 -0.05 0.00 4.15 5.19 -1.94 -3.21 116.42 120.56 1br1 h ASP 9 Ca 0.91 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1br1 h ASP 9 Cb 3.30 0.01 0.00 0.00 0.18 0.00 0.00 39.33 42.82 1br1 h ASP 9 CO -0.25 0.66 0.25 -0.33 -3.12 0.00 0.00 179.24 176.44 1br1 h GLU 10 N -0.82 0.00 0.00 3.56 5.08 -1.09 0.51 114.58 121.82 1br1 h GLU 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1br1 h GLU 10 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1br1 h GLU 10 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 1br1 n LYS 11 N -2.74 0.68 0.00 2.33 5.02 -0.87 0.60 118.16 123.17 1br1 n LYS 11 Ca -0.02 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1br1 n LYS 11 Cb 0.29 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1br1 n LYS 11 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1br1 n PHE 12 N -0.93 0.00 0.00 2.13 3.72 0.18 -4.44 117.46 118.12 1br1 n PHE 12 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1br1 n PHE 12 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1br1 n PHE 12 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1br1 n LEU 13 N -0.69 0.00 -4.49 4.37 4.77 -0.94 -4.30 117.00 115.71 1br1 n LEU 13 Ca 0.06 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1br1 n LEU 13 Cb 0.36 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1br1 n LEU 13 CO 0.31 0.00 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.56 1br1 s PHE 14 N -0.13 2.69 0.07 -1.77 0.08 0.20 -4.59 117.98 114.53 1br1 s PHE 14 Ca 0.00 -0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.63 1br1 s PHE 14 Cb 0.00 -1.57 -0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1br1 s PHE 14 CO 0.00 0.25 0.77 0.14 -0.10 0.00 0.00 175.22 176.28 1br1 s VAL 15 N -0.86 4.65 -0.54 -0.44 -7.23 -1.26 -4.42 120.40 110.30 1br1 s VAL 15 Ca 0.14 1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 61.70 1br1 s VAL 15 Cb -0.11 -4.12 0.04 0.00 0.56 0.00 0.00 36.38 32.75 1br1 s VAL 15 CO 0.04 0.40 1.01 -1.81 -0.31 0.00 0.00 175.10 174.43 1br1 s ASP 16 N -0.29 6.41 -0.00 4.85 1.01 -1.26 -4.82 116.67 122.57 1br1 s ASP 16 Ca 0.38 -0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1br1 s ASP 16 Cb -0.21 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1br1 s ASP 16 CO 0.24 -1.27 0.08 0.29 0.21 0.00 0.00 175.17 174.72 1br1 n LYS 17 N 7.69 3.46 -2.55 8.23 5.02 -1.26 -4.92 118.16 133.83 1br1 n LYS 17 Ca 0.05 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1br1 n LYS 17 Cb 0.48 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 1br1 n LYS 17 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1br1 s ASN 18 N -1.70 6.42 0.21 4.39 -0.87 -1.26 -4.77 114.94 117.37 1br1 s ASN 18 Ca 0.00 -1.30 -0.01 0.00 -1.57 0.00 0.00 52.86 49.98 1br1 s ASN 18 Cb 0.02 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1br1 s ASN 18 CO 0.10 -1.58 0.29 0.49 -2.57 0.00 0.00 177.10 173.82 1br1 n PHE 19 N 9.08 -1.00 -3.22 2.20 3.72 -1.26 -5.07 117.46 121.90 1br1 n PHE 19 Ca 0.29 -1.44 -0.33 0.00 -0.05 0.00 0.00 57.45 55.93 1br1 n PHE 19 Cb 0.51 0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 39.31 1br1 n PHE 19 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1br1 s VAL 20 N -2.67 4.74 -0.90 -4.37 0.11 -1.26 -4.92 120.40 111.13 1br1 s VAL 20 Ca 0.18 0.86 -0.08 0.00 -2.93 0.00 0.00 61.98 60.01 1br1 s VAL 20 Cb -0.00 -3.65 -0.16 0.00 -1.53 0.00 0.00 36.38 31.03 1br1 s VAL 20 CO 0.13 -0.07 3.16 -0.46 -3.33 0.00 0.00 175.10 174.53 1br1 n ASN 21 N -0.08 7.00 -4.63 3.54 6.94 -1.26 -4.94 115.26 121.83 1br1 n ASN 21 Ca 0.01 -2.50 -0.50 0.00 -0.02 0.00 0.00 54.58 51.57 1br1 n ASN 21 Cb 0.53 -1.46 -0.05 0.00 -2.36 0.00 0.00 39.78 36.44 1br1 n ASN 21 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1br1 n ASN 22 N 3.15 2.27 -0.93 0.53 0.23 -1.26 -4.87 115.26 114.38 1br1 n ASN 22 Ca 0.61 1.10 0.07 0.00 -0.53 0.00 0.00 54.58 55.84 1br1 n ASN 22 Cb 0.51 -1.28 0.22 0.00 -2.08 0.00 0.00 39.78 37.14 1br1 n ASN 22 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1br1 n PRO 23 N 3.05 2.24 0.06 -0.53 -0.05 -1.26 -4.15 135.00 134.36 1br1 n PRO 23 Ca 0.18 -1.75 -0.13 0.00 -0.05 0.00 0.00 63.50 61.75 1br1 n PRO 23 Cb 0.23 -1.43 -0.08 0.00 -0.05 0.00 0.00 33.50 32.17 1br1 n PRO 23 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 1br1 h LEU 24 N 2.78 -0.10 -0.13 1.53 3.38 -1.98 0.71 115.31 121.51 1br1 h LEU 24 Ca 0.00 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1br1 h LEU 24 Cb 0.72 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1br1 h LEU 24 CO 0.03 0.10 -0.70 0.00 0.09 0.00 0.00 178.44 177.96 1br1 h ALA 25 N 0.61 0.26 0.00 1.53 0.00 -1.99 0.20 119.26 119.88 1br1 h ALA 25 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1br1 h ALA 25 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1br1 h ALA 25 CO 0.02 0.58 0.00 0.94 0.00 0.00 0.00 179.25 180.79 1br1 n GLN 26 N -4.03 0.03 -0.09 0.00 0.00 -1.14 -2.47 117.38 109.68 1br1 n GLN 26 Ca -0.08 0.36 -0.12 0.00 -0.00 0.00 0.00 57.00 57.16 1br1 n GLN 26 Cb 0.71 -1.56 -0.08 0.00 0.00 0.00 0.00 30.24 29.31 1br1 n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 n ALA 27 N -1.54 1.62 0.31 1.69 0.00 0.25 -4.41 120.51 118.43 1br1 n ALA 27 Ca 0.02 -0.76 0.19 0.00 0.00 0.00 0.00 53.44 52.89 1br1 n ALA 27 Cb 0.12 0.09 1.01 0.00 0.00 0.00 0.00 19.45 20.67 1br1 n ALA 27 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1br1 h ASP 28 N -0.00 0.00 -0.36 0.00 1.82 -0.62 -2.53 116.42 114.73 1br1 h ASP 28 Ca -0.40 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.35 1br1 h ASP 28 Cb 1.62 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.61 1br1 h ASP 28 CO -0.06 0.00 0.56 4.11 -1.61 0.00 0.00 179.24 182.24 1br1 h TRP 29 N 0.00 0.00 -0.04 0.28 5.08 -1.69 0.16 115.95 119.74 1br1 h TRP 29 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 1br1 h TRP 29 Cb 0.22 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1br1 h TRP 29 CO 0.00 0.00 0.03 0.77 -1.28 0.00 0.00 178.44 177.96 1br1 h SER 30 N 0.00 0.00 0.00 0.11 0.02 -1.78 -0.50 113.55 111.40 1br1 h SER 30 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1br1 h SER 30 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1br1 h SER 30 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1br1 n ALA 31 N -2.55 2.41 -0.30 3.77 0.00 0.56 -4.43 120.51 119.97 1br1 n ALA 31 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.66 1br1 n ALA 31 Cb 0.13 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 18.81 1br1 n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1br1 n LYS 32 N 1.10 -0.01 0.00 0.00 5.02 -0.20 0.15 118.16 124.21 1br1 n LYS 32 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1br1 n LYS 32 Cb 0.29 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1br1 n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1br1 n LYS 33 N -3.56 0.01 -2.17 1.97 4.76 -1.26 -4.69 118.16 113.22 1br1 n LYS 33 Ca 0.23 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 1br1 n LYS 33 Cb 0.93 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.92 1br1 n LYS 33 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1br1 s LEU 34 N -1.35 4.32 0.00 -0.35 1.43 0.39 0.13 118.68 123.25 1br1 s LEU 34 Ca 0.00 2.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 1br1 s LEU 34 Cb 0.00 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1br1 s LEU 34 CO 0.00 -0.75 0.12 1.33 0.23 0.00 0.00 176.35 177.28 1br1 n VAL 35 N 4.72 0.00 -4.43 -1.59 0.24 0.19 -4.18 118.33 113.28 1br1 n VAL 35 Ca 0.14 -1.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.08 1br1 n VAL 35 Cb 0.43 0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 33.21 1br1 n VAL 35 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1br1 s TRP 36 N -2.60 2.64 0.10 6.34 0.52 0.28 -2.48 118.94 123.74 1br1 s TRP 36 Ca 0.17 -0.21 -0.23 0.00 0.02 0.00 0.00 56.10 55.86 1br1 s TRP 36 Cb 0.01 -1.44 0.06 0.00 -1.15 0.00 0.00 33.47 30.95 1br1 s TRP 36 CO 0.12 0.35 0.56 0.14 0.02 0.00 0.00 176.95 178.14 1br1 s VAL 37 N -1.07 0.02 0.54 4.03 -7.23 -0.90 -0.20 120.40 115.60 1br1 s VAL 37 Ca 0.18 -0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.10 1br1 s VAL 37 Cb -0.11 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 1br1 s VAL 37 CO 0.09 -0.09 -0.44 -2.65 -0.31 0.00 0.00 175.10 171.71 1br1 n PRO 38 N 0.01 0.00 -3.15 4.82 -0.01 -1.26 -0.38 135.00 135.03 1br1 n PRO 38 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 63.50 63.37 1br1 n PRO 38 Cb 0.63 -0.54 -0.02 0.00 -0.01 0.00 0.00 33.50 33.56 1br1 n PRO 38 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1br1 s SER 39 N -0.54 -0.24 0.00 2.55 0.15 -1.22 -4.21 113.70 110.20 1br1 s SER 39 Ca 0.22 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1br1 s SER 39 Cb -0.10 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1br1 s SER 39 CO 0.45 -0.04 0.40 -0.62 1.20 0.00 0.00 173.24 174.62 1br1 n GLU 40 N 5.43 0.43 0.00 5.44 1.02 -1.26 -0.68 120.64 131.03 1br1 n GLU 40 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1br1 n GLU 40 Cb 0.55 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1br1 n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1br1 n LYS 41 N -0.38 0.67 0.00 3.49 4.76 -1.26 -4.87 118.16 120.56 1br1 n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1br1 n LYS 41 Cb 0.02 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1br1 n LYS 41 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1br1 n HIS 42 N 0.00 0.00 0.00 2.13 8.25 -1.07 -4.72 115.22 119.80 1br1 n HIS 42 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1br1 n HIS 42 Cb 0.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1br1 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1br1 n GLY 43 N -0.04 0.85 3.47 -1.41 0.00 0.15 -4.63 105.19 103.58 1br1 n GLY 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1br1 n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 44 N 0.00 -0.13 0.08 1.61 0.08 -1.26 -3.37 117.98 114.99 1br1 s PHE 44 Ca 0.00 -0.21 -0.24 0.00 0.12 0.00 0.00 56.93 56.61 1br1 s PHE 44 Cb 0.00 0.35 0.06 0.00 -0.57 0.00 0.00 43.02 42.86 1br1 s PHE 44 CO 0.00 -0.87 0.57 -1.83 -0.10 0.00 0.00 175.22 172.99 1br1 s GLU 45 N -3.86 1.13 0.33 0.44 -1.05 0.49 -4.79 118.70 111.40 1br1 s GLU 45 Ca 0.08 -0.27 -0.28 0.00 -0.15 0.00 0.00 54.97 54.36 1br1 s GLU 45 Cb -0.00 0.52 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1br1 s GLU 45 CO -0.05 -0.44 1.18 0.00 0.95 0.00 0.00 175.26 176.91 1br1 s ALA 46 N -2.79 3.35 0.02 -0.84 0.00 -1.26 -2.11 121.76 118.13 1br1 s ALA 46 Ca -0.03 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 1br1 s ALA 46 Cb -0.00 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1br1 s ALA 46 CO -0.04 -0.42 0.96 0.00 0.00 0.00 0.00 175.76 176.26 1br1 s ALA 47 N -1.24 -1.82 -0.05 0.00 0.00 -1.03 -2.15 121.76 115.46 1br1 s ALA 47 Ca 0.50 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.29 1br1 s ALA 47 Cb -0.34 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1br1 s ALA 47 CO 0.44 -0.80 -0.11 0.45 0.00 0.00 0.00 175.76 175.74 1br1 s SER 48 N -2.61 1.51 0.24 0.00 0.15 -0.06 0.53 113.70 113.47 1br1 s SER 48 Ca 0.08 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 1br1 s SER 48 Cb -0.01 -0.60 -0.15 0.00 -1.71 0.00 0.00 66.02 63.55 1br1 s SER 48 CO -0.05 0.04 0.95 -0.38 1.20 0.00 0.00 173.24 175.00 1br1 n ILE 49 N 3.64 1.70 -0.03 6.45 5.41 0.34 -1.40 119.36 135.47 1br1 n ILE 49 Ca -0.22 -0.42 -0.04 0.00 1.00 0.00 0.00 62.75 63.07 1br1 n ILE 49 Cb 0.52 -0.75 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1br1 n ILE 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1br1 n LYS 50 N 1.03 1.04 -3.42 0.38 4.76 0.59 -4.80 118.16 117.76 1br1 n LYS 50 Ca 0.13 0.03 0.01 0.00 -2.87 0.00 0.00 58.31 55.61 1br1 n LYS 50 Cb 0.28 -1.13 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 1br1 n LYS 50 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1br1 s GLU 51 N -2.12 0.43 -0.42 1.97 2.12 -0.51 -4.95 118.70 115.21 1br1 s GLU 51 Ca -0.07 1.00 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 1br1 s GLU 51 Cb 0.02 0.59 0.03 0.00 0.26 0.00 0.00 34.13 35.02 1br1 s GLU 51 CO 0.16 -0.24 1.11 -1.21 -0.54 0.00 0.00 175.26 174.54 1br1 s GLU 52 N 2.74 3.83 -0.70 4.30 2.02 -1.26 0.36 118.70 129.98 1br1 s GLU 52 Ca 0.01 0.72 0.05 0.00 0.02 0.00 0.00 54.97 55.77 1br1 s GLU 52 Cb -0.10 -3.85 0.18 0.00 0.10 0.00 0.00 34.13 30.46 1br1 s GLU 52 CO -0.18 -1.22 0.53 1.63 0.02 0.00 0.00 175.26 176.04 1br1 n LYS 53 N 7.50 1.92 0.00 1.61 4.76 0.13 -4.98 118.16 129.10 1br1 n LYS 53 Ca 0.12 -4.52 0.00 0.00 -2.87 0.00 0.00 58.31 51.04 1br1 n LYS 53 Cb 0.48 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1br1 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1br1 n GLY 54 N 1.83 2.58 0.09 0.72 0.00 -1.26 -1.46 105.19 107.69 1br1 n GLY 54 Ca 0.21 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1br1 n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1br1 n ASP 55 N 0.27 0.16 -4.38 1.61 2.03 -1.26 -4.53 116.55 110.45 1br1 n ASP 55 Ca 0.00 0.40 -0.19 0.00 0.52 0.00 0.00 54.79 55.51 1br1 n ASP 55 Cb 0.00 -0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 39.95 1br1 n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1br1 s GLU 56 N -2.93 1.43 -0.13 -0.67 8.01 -0.54 0.23 118.70 124.10 1br1 s GLU 56 Ca -0.01 -1.69 -0.13 0.00 0.01 0.00 0.00 54.97 53.15 1br1 s GLU 56 Cb 0.02 -1.07 0.04 0.00 -4.31 0.00 0.00 34.13 28.81 1br1 s GLU 56 CO 0.06 0.08 0.37 0.08 0.01 0.00 0.00 175.26 175.86 1br1 s VAL 57 N -3.05 0.00 -0.02 2.63 1.01 0.25 0.20 120.40 121.42 1br1 s VAL 57 Ca 0.26 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 1br1 s VAL 57 Cb 0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1br1 s VAL 57 CO 0.09 -0.01 0.59 0.42 0.00 0.00 0.00 175.10 176.19 1br1 s THR 58 N 0.11 4.94 0.02 3.92 -4.23 0.16 -1.49 115.64 119.07 1br1 s THR 58 Ca -0.01 1.22 -0.07 0.00 -1.18 0.00 0.00 61.69 61.65 1br1 s THR 58 Cb -0.03 -3.92 -0.00 0.00 1.34 0.00 0.00 72.50 69.89 1br1 s THR 58 CO 0.01 0.40 0.14 -0.69 -0.54 0.00 0.00 174.62 173.94 1br1 s VAL 59 N -0.08 0.10 -0.13 2.29 1.01 -0.48 0.22 120.40 123.34 1br1 s VAL 59 Ca 0.31 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1br1 s VAL 59 Cb -0.18 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1br1 s VAL 59 CO 0.17 -0.46 -0.19 -0.70 0.00 0.00 0.00 175.10 173.92 1br1 s GLU 60 N -1.94 3.17 -0.05 2.72 2.12 -0.49 -0.81 118.70 123.42 1br1 s GLU 60 Ca -0.10 -0.79 -0.32 0.00 0.36 0.00 0.00 54.97 54.11 1br1 s GLU 60 Cb -0.05 -2.49 -0.10 0.00 0.26 0.00 0.00 34.13 31.75 1br1 s GLU 60 CO -0.01 0.11 1.95 1.28 -0.54 0.00 0.00 175.26 178.05 1br1 n LEU 61 N 3.76 3.74 -0.55 2.70 4.77 0.48 -0.88 117.00 131.02 1br1 n LEU 61 Ca -0.19 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1br1 n LEU 61 Cb 0.52 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1br1 n LEU 61 CO 0.29 0.01 0.18 0.00 -1.33 0.00 0.00 177.39 176.54 1br1 n GLN 62 N 7.22 0.64 0.00 3.23 10.64 -0.91 -1.70 117.38 136.50 1br1 n GLN 62 Ca 0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1br1 n GLN 62 Cb 0.35 -1.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.43 1br1 n GLN 62 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1br1 n GLU 63 N 0.23 0.00 0.00 2.61 4.07 -1.26 -4.83 120.64 121.46 1br1 n GLU 63 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 1br1 n GLU 63 Cb 0.18 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 31.98 1br1 n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1br1 n ASN 64 N -1.11 0.00 0.00 4.31 4.05 -1.24 -4.82 115.26 116.46 1br1 n ASN 64 Ca 0.00 -1.26 0.00 0.00 0.45 0.00 0.00 54.58 53.77 1br1 n ASN 64 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1br1 n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1br1 n GLY 65 N 0.54 0.32 3.74 8.20 0.00 -0.69 -4.92 105.19 112.38 1br1 n GLY 65 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1br1 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 66 N -0.53 2.11 -0.27 1.61 2.36 -1.26 -4.71 119.74 119.04 1br1 s LYS 66 Ca 0.00 1.49 0.02 0.00 -2.55 0.00 0.00 55.97 54.92 1br1 s LYS 66 Cb 0.00 -1.86 0.07 0.00 -1.05 0.00 0.00 37.83 35.00 1br1 s LYS 66 CO 0.00 -1.80 -0.03 0.21 1.55 0.00 0.00 175.35 175.28 1br1 s LYS 67 N -4.34 1.65 0.04 4.03 2.20 -1.26 -0.39 119.74 121.67 1br1 s LYS 67 Ca 0.68 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1br1 s LYS 67 Cb -0.23 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1br1 s LYS 67 CO 0.49 -0.71 -0.13 0.08 -0.36 0.00 0.00 175.35 174.72 1br1 s VAL 68 N 1.22 1.03 -0.14 4.02 1.01 0.01 -4.98 120.40 122.56 1br1 s VAL 68 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1br1 s VAL 68 Cb -0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1br1 s VAL 68 CO -0.08 -0.04 -0.09 -0.89 0.00 0.00 0.00 175.10 174.00 1br1 s THR 69 N -0.89 3.43 0.30 3.92 2.01 -1.26 -1.38 115.64 121.77 1br1 s THR 69 Ca 0.00 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.54 1br1 s THR 69 Cb -0.08 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 1br1 s THR 69 CO 0.01 0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.65 1br1 s LEU 70 N 0.33 2.50 0.50 4.42 1.43 -0.55 -4.95 118.68 122.36 1br1 s LEU 70 Ca -0.08 -1.23 -0.22 0.00 -1.03 0.00 0.00 54.13 51.56 1br1 s LEU 70 Cb -0.15 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.33 1br1 s LEU 70 CO 0.04 -0.38 1.12 -0.24 0.23 0.00 0.00 176.35 177.13 1br1 n SER 71 N -0.65 1.69 -0.93 2.29 2.88 -1.26 -0.59 113.62 117.04 1br1 n SER 71 Ca -0.05 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1br1 n SER 71 Cb 0.64 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1br1 n SER 71 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1br1 n LYS 72 N -0.41 0.48 0.00 -1.46 4.81 0.63 -1.42 118.16 120.79 1br1 n LYS 72 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1br1 n LYS 72 Cb 0.43 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1br1 n LYS 72 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1br1 n ASP 73 N 0.69 0.00 -0.60 3.14 5.75 -1.26 -4.81 116.55 119.45 1br1 n ASP 73 Ca 0.00 -1.00 0.06 0.00 -0.01 0.00 0.00 54.79 53.84 1br1 n ASP 73 Cb 0.22 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.42 1br1 n ASP 73 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1br1 n ASP 74 N 0.00 2.48 -4.83 -1.12 9.92 -0.51 -4.96 116.55 117.53 1br1 n ASP 74 Ca 0.00 -1.72 -0.30 0.00 -0.53 0.00 0.00 54.79 52.23 1br1 n ASP 74 Cb 0.47 -0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.79 1br1 n ASP 74 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1br1 s ILE 75 N -1.04 4.87 -0.04 0.53 -4.36 -1.26 -4.26 121.20 115.64 1br1 s ILE 75 Ca 0.20 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1br1 s ILE 75 Cb 0.12 -3.37 0.02 0.00 1.25 0.00 0.00 42.46 40.49 1br1 s ILE 75 CO 0.17 0.12 -0.05 -1.10 0.24 0.00 0.00 174.94 174.32 1br1 s GLN 76 N -2.47 0.85 0.23 0.37 -0.21 0.72 -4.89 119.66 114.27 1br1 s GLN 76 Ca 0.32 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.28 1br1 s GLN 76 Cb -0.12 -0.85 -0.15 0.00 1.00 0.00 0.00 33.01 32.89 1br1 s GLN 76 CO 0.24 -0.07 0.94 1.63 -2.12 0.00 0.00 175.29 175.91 1br1 n LYS 77 N 4.02 0.97 -3.86 2.91 4.01 -1.26 0.10 118.16 125.05 1br1 n LYS 77 Ca -0.25 0.34 -0.33 0.00 -0.51 0.00 0.00 58.31 57.56 1br1 n LYS 77 Cb 0.51 -1.67 -0.05 0.00 -0.51 0.00 0.00 35.03 33.32 1br1 n LYS 77 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1br1 s MET 78 N -1.10 3.48 0.21 1.97 1.75 -1.26 -4.71 119.30 119.65 1br1 s MET 78 Ca 0.64 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.72 1br1 s MET 78 Cb -0.80 -3.06 -0.06 0.00 2.84 0.00 0.00 34.83 33.74 1br1 s MET 78 CO 0.57 0.64 0.50 -0.80 -0.65 0.00 0.00 175.02 175.28 1br1 s ASN 79 N -2.08 6.56 0.80 1.11 0.02 -1.26 -4.96 114.94 115.14 1br1 s ASN 79 Ca 0.30 0.80 -0.14 0.00 -1.02 0.00 0.00 52.86 52.80 1br1 s ASN 79 Cb -0.13 -2.18 0.06 0.00 0.02 0.00 0.00 41.25 39.03 1br1 s ASN 79 CO 0.21 -0.05 1.07 -2.65 0.02 0.00 0.00 177.10 175.69 1br1 n PRO 80 N -0.18 0.19 0.22 -0.60 -0.02 -1.26 -4.85 135.00 128.50 1br1 n PRO 80 Ca -0.01 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1br1 n PRO 80 Cb 0.52 -2.33 0.77 0.00 -0.02 0.00 0.00 33.50 32.45 1br1 n PRO 80 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1br1 h PRO 81 N -0.84 0.00 0.00 0.52 0.14 -1.97 -1.83 132.00 128.02 1br1 h PRO 81 Ca -0.46 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1br1 h PRO 81 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.45 1br1 h PRO 81 CO 0.45 0.00 0.00 1.17 0.14 0.00 0.00 178.00 179.76 1br1 n LYS 82 N -2.53 0.87 -0.00 0.86 0.00 -1.26 -2.89 118.16 113.21 1br1 n LYS 82 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.31 1br1 n LYS 82 Cb 0.07 -1.12 0.01 0.00 0.00 0.00 0.00 35.03 33.99 1br1 n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1br1 n PHE 83 N -0.62 0.01 -1.66 5.64 3.72 -0.69 -5.03 117.46 118.83 1br1 n PHE 83 Ca 0.05 -0.04 -0.47 0.00 -0.05 0.00 0.00 57.45 56.93 1br1 n PHE 83 Cb 0.02 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 1br1 n PHE 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1br1 n SER 84 N 0.11 2.93 -3.61 4.37 2.88 -1.14 -1.49 113.62 117.67 1br1 n SER 84 Ca 0.02 1.07 -0.23 0.00 -1.33 0.00 0.00 58.87 58.39 1br1 n SER 84 Cb 0.08 -1.38 0.07 0.00 -0.75 0.00 0.00 64.21 62.24 1br1 n SER 84 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1br1 n LYS 85 N 3.83 -7.40 -1.11 -1.46 4.01 -1.26 -4.94 118.16 109.83 1br1 n LYS 85 Ca 0.18 0.80 -0.34 0.00 -0.51 0.00 0.00 58.31 58.44 1br1 n LYS 85 Cb 0.27 -5.82 0.11 0.00 -0.51 0.00 0.00 35.03 29.08 1br1 n LYS 85 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1br1 n VAL 86 N -4.80 1.79 0.01 -0.18 3.14 -0.56 -4.97 118.33 112.76 1br1 n VAL 86 Ca -0.05 -0.25 -0.19 0.00 -2.96 0.00 0.00 64.34 60.89 1br1 n VAL 86 Cb 0.58 -1.04 -0.14 0.00 -1.06 0.00 0.00 33.84 32.18 1br1 n VAL 86 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1br1 h GLU 87 N -0.85 0.23 -3.29 1.45 4.39 -1.92 -3.45 114.58 111.15 1br1 h GLU 87 Ca -0.46 -0.40 -0.61 0.00 0.34 0.00 0.00 59.36 58.23 1br1 h GLU 87 Cb 1.31 0.15 -0.40 0.00 -0.10 0.00 0.00 28.75 29.71 1br1 h GLU 87 CO 0.44 1.11 -0.73 0.34 -1.16 0.00 0.00 179.01 179.00 1br1 s ASP 88 N -6.91 3.88 0.28 1.42 -1.08 -1.26 -1.30 116.67 111.69 1br1 s ASP 88 Ca -0.18 -2.37 0.17 0.00 -0.52 0.00 0.00 52.55 49.64 1br1 s ASP 88 Cb 0.07 -1.08 1.00 0.00 -1.46 0.00 0.00 42.92 41.45 1br1 s ASP 88 CO 0.79 -0.31 1.15 0.23 0.52 0.00 0.00 175.17 177.55 1br1 n MET 89 N 3.90 -0.04 0.00 4.34 2.81 -0.87 0.23 117.12 127.48 1br1 n MET 89 Ca 0.05 0.99 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 1br1 n MET 89 Cb 0.37 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1br1 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1br1 n ALA 90 N -2.47 1.34 -0.09 3.04 0.00 -1.26 -1.99 120.51 119.07 1br1 n ALA 90 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.54 1br1 n ALA 90 Cb 0.97 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 1br1 n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1br1 n GLU 91 N -0.50 0.42 -1.53 0.00 1.02 0.62 -4.92 120.64 115.75 1br1 n GLU 91 Ca 0.00 0.18 -0.57 0.00 -0.02 0.00 0.00 57.16 56.75 1br1 n GLU 91 Cb 0.00 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 1br1 n GLU 91 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1br1 n LEU 92 N -3.97 0.48 0.00 -4.62 4.77 -0.84 -4.75 117.00 108.07 1br1 n LEU 92 Ca -0.33 1.15 0.04 0.00 -0.03 0.00 0.00 56.01 56.84 1br1 n LEU 92 Cb 0.69 -1.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.00 1br1 n LEU 92 CO 0.05 -1.66 0.45 0.35 -1.33 0.00 0.00 177.39 175.25 1br1 n THR 93 N 1.79 0.00 -3.62 -5.08 -2.24 -1.26 -4.39 114.28 99.48 1br1 n THR 93 Ca 0.19 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.76 1br1 n THR 93 Cb 0.11 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 67.68 1br1 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1br1 s LEU 95 N 2.20 4.18 0.08 0.00 1.43 -1.26 -4.80 118.68 120.51 1br1 s LEU 95 Ca 0.04 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.37 1br1 s LEU 95 Cb -0.14 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.75 1br1 s LEU 95 CO -0.07 0.02 0.44 0.20 0.23 0.00 0.00 176.35 177.17 1br1 s ASN 96 N 0.84 -0.32 0.49 2.29 -0.87 -1.26 -4.97 114.94 111.14 1br1 s ASN 96 Ca 0.16 -0.06 0.32 0.00 -1.57 0.00 0.00 52.86 51.70 1br1 s ASN 96 Cb -0.14 0.46 1.37 0.00 -0.02 0.00 0.00 41.25 42.92 1br1 s ASN 96 CO 0.06 -0.75 1.95 -0.08 -2.57 0.00 0.00 177.10 175.70 1br1 h GLU 97 N 2.70 0.00 0.00 -0.60 4.81 -1.98 -1.92 114.58 117.59 1br1 h GLU 97 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1br1 h GLU 97 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1br1 h GLU 97 CO 0.44 0.00 -0.07 0.00 -0.73 0.00 0.00 179.01 178.65 1br1 h ALA 98 N 2.06 0.00 0.63 2.92 0.00 -1.97 -3.17 119.26 119.73 1br1 h ALA 98 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1br1 h ALA 98 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1br1 h ALA 98 CO 0.00 0.07 -0.45 0.77 0.00 0.00 0.00 179.25 179.64 1br1 h SER 99 N -0.84 -1.17 -1.28 0.00 0.02 -1.87 0.55 113.55 108.96 1br1 h SER 99 Ca 0.00 0.08 0.43 0.00 -0.84 0.00 0.00 61.79 61.46 1br1 h SER 99 Cb 0.07 0.36 -0.13 0.00 0.14 0.00 0.00 62.40 62.84 1br1 h SER 99 CO 0.00 -0.66 0.81 0.58 -1.14 0.00 0.00 176.83 176.43 1br1 h VAL 100 N -1.03 0.11 0.31 2.27 2.07 -1.56 0.82 116.25 119.25 1br1 h VAL 100 Ca -0.08 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1br1 h VAL 100 Cb 0.85 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1br1 h VAL 100 CO 0.04 0.02 -0.15 0.25 0.02 0.00 0.00 177.57 177.75 1br1 h LEU 101 N 0.09 -0.36 0.00 2.57 5.85 -1.27 -3.04 115.31 119.15 1br1 h LEU 101 Ca 0.82 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.42 1br1 h LEU 101 Cb 2.52 0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.64 1br1 h LEU 101 CO -0.46 0.11 0.00 1.57 -0.34 0.00 0.00 178.44 179.32 1br1 n HIS 102 N -5.06 0.00 -0.34 1.25 -0.00 0.26 -0.36 115.22 110.97 1br1 n HIS 102 Ca -0.07 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.05 1br1 n HIS 102 Cb 0.23 -0.47 -0.03 0.00 -0.12 0.00 0.00 29.99 29.60 1br1 n HIS 102 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1br1 n ASN 103 N -2.80 -0.74 -0.30 0.26 5.15 0.55 0.21 115.26 117.59 1br1 n ASN 103 Ca 0.00 1.48 0.05 0.00 -0.60 0.00 0.00 54.58 55.51 1br1 n ASN 103 Cb 0.00 -0.26 0.20 0.00 -0.53 0.00 0.00 39.78 39.19 1br1 n ASN 103 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1br1 h LEU 104 N 0.00 0.65 0.15 1.20 3.38 -1.17 -1.95 115.31 117.57 1br1 h LEU 104 Ca 0.20 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1br1 h LEU 104 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1br1 h LEU 104 CO -0.81 0.33 -0.11 -0.09 0.09 0.00 0.00 178.44 177.86 1br1 h ARG 105 N 0.75 -0.25 0.00 1.13 2.43 0.55 -1.36 114.38 117.63 1br1 h ARG 105 Ca 0.44 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1br1 h ARG 105 Cb 0.49 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1br1 h ARG 105 CO -0.29 -0.17 0.00 0.39 -1.51 0.00 0.00 179.97 178.39 1br1 n GLU 106 N -5.22 0.00 -0.27 0.20 4.71 -0.28 -1.45 120.64 118.33 1br1 n GLU 106 Ca -0.08 0.34 0.26 0.00 -0.01 0.00 0.00 57.16 57.67 1br1 n GLU 106 Cb 0.14 -1.23 0.48 0.00 -1.01 0.00 0.00 31.44 29.82 1br1 n GLU 106 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1br1 n ARG 107 N -1.35 -0.05 0.08 3.49 1.74 -0.80 0.95 116.66 120.72 1br1 n ARG 107 Ca 0.00 1.18 -0.12 0.00 -0.77 0.00 0.00 57.85 58.14 1br1 n ARG 107 Cb 0.00 -2.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.27 1br1 n ARG 107 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1br1 h TYR 108 N 0.00 -0.20 0.00 -1.55 3.20 -0.80 0.64 116.97 118.26 1br1 h TYR 108 Ca 0.70 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.49 1br1 h TYR 108 Cb 1.83 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.16 1br1 h TYR 108 CO -0.05 -0.12 -0.40 0.74 -1.64 0.00 0.00 178.16 176.68 1br1 h PHE 109 N -0.17 0.00 0.00 -3.82 0.04 0.18 -2.61 116.94 110.55 1br1 h PHE 109 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1br1 h PHE 109 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1br1 h PHE 109 CO -0.11 0.40 0.00 0.77 -0.60 0.00 0.00 178.31 178.78 1br1 h SER 110 N 0.00 0.00 0.00 2.17 0.02 -0.41 -3.46 113.55 111.87 1br1 h SER 110 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1br1 h SER 110 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1br1 h SER 110 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1br1 n GLY 111 N 0.20 1.01 3.64 -3.77 0.00 -0.70 -4.89 105.19 100.67 1br1 n GLY 111 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1br1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1br1 s LEU 112 N 0.00 3.73 -0.15 0.99 1.43 0.14 -4.79 118.68 120.03 1br1 s LEU 112 Ca 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1br1 s LEU 112 Cb 0.00 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.19 1br1 s LEU 112 CO 0.00 0.22 -0.11 2.30 0.23 0.00 0.00 176.35 178.99 1br1 n ILE 113 N 3.23 0.91 -2.46 -0.59 -5.35 -1.26 -2.87 119.36 110.96 1br1 n ILE 113 Ca -0.17 -0.38 -0.42 0.00 -0.27 0.00 0.00 62.75 61.51 1br1 n ILE 113 Cb 0.53 -1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.39 1br1 n ILE 113 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1br1 s TYR 114 N -2.32 3.50 -0.05 4.28 1.51 -1.26 -3.26 117.35 119.75 1br1 s TYR 114 Ca -0.19 1.44 -0.06 0.00 -1.01 0.00 0.00 57.07 57.25 1br1 s TYR 114 Cb 0.05 -3.36 0.01 0.00 -0.11 0.00 0.00 41.96 38.56 1br1 s TYR 114 CO 0.39 -0.98 0.17 0.99 -1.11 0.00 0.00 175.55 175.01 1br1 s THR 115 N 0.45 0.01 0.19 -0.71 2.01 -0.85 -4.72 115.64 112.01 1br1 s THR 115 Ca 0.54 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 1br1 s THR 115 Cb -0.29 -0.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1br1 s THR 115 CO 0.32 -0.06 0.59 -0.31 -0.69 0.00 0.00 174.62 174.47 1br1 s TYR 116 N -0.15 3.56 -0.42 4.92 2.02 -0.42 -0.45 117.35 126.40 1br1 s TYR 116 Ca -0.02 1.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.79 1br1 s TYR 116 Cb -0.02 -2.39 0.16 0.00 -0.40 0.00 0.00 41.96 39.31 1br1 s TYR 116 CO 0.00 0.36 0.33 -1.54 -1.57 0.00 0.00 175.55 173.13 1br1 s SER 117 N -1.88 1.97 1.50 2.29 1.04 -0.39 -2.06 113.70 116.16 1br1 s SER 117 Ca 0.42 -2.96 0.00 0.00 0.48 0.00 0.00 55.95 53.88 1br1 s SER 117 Cb -0.14 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1br1 s SER 117 CO 0.20 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1br1 n GLY 118 N 3.00 2.65 0.07 7.32 0.00 -1.26 -3.26 105.19 113.72 1br1 n GLY 118 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1br1 n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1br1 h LEU 119 N 0.00 0.00-10.48 0.99 3.38 -1.97 -3.47 115.31 103.76 1br1 h LEU 119 Ca 0.00 -0.21 -0.44 0.00 0.09 0.00 0.00 57.88 57.33 1br1 h LEU 119 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 1br1 h LEU 119 CO 0.00 0.80 0.24 0.72 0.09 0.00 0.00 178.44 180.29 1br1 s PHE 120 N -2.00 1.54 -0.04 1.13 -0.71 -1.20 -4.92 117.98 111.77 1br1 s PHE 120 Ca -0.12 0.66 -0.03 0.00 -1.04 0.00 0.00 56.93 56.40 1br1 s PHE 120 Cb 0.01 -3.50 0.02 0.00 -1.21 0.00 0.00 43.02 38.33 1br1 s PHE 120 CO 0.25 -3.08 0.10 0.00 -1.34 0.00 0.00 175.22 171.16 1br1 s VAL 122 N 0.30 4.21 -0.48 0.00 1.01 0.41 -2.57 120.40 123.28 1br1 s VAL 122 Ca -0.02 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1br1 s VAL 122 Cb -0.03 -3.69 0.23 0.00 0.00 0.00 0.00 36.38 32.88 1br1 s VAL 122 CO -0.01 -0.86 0.79 0.52 0.00 0.00 0.00 175.10 175.54 1br1 n VAL 123 N -2.76 -0.14 -1.64 2.92 0.31 -1.20 -2.01 118.33 113.82 1br1 n VAL 123 Ca 0.05 -1.80 -0.45 0.00 -0.01 0.00 0.00 64.34 62.14 1br1 n VAL 123 Cb 0.56 0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 34.29 1br1 n VAL 123 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1br1 n ILE 124 N 1.91 0.57 -1.53 2.52 -0.00 -1.20 -3.55 119.36 118.09 1br1 n ILE 124 Ca 0.13 -0.21 -0.49 0.00 -0.00 0.00 0.00 62.75 62.19 1br1 n ILE 124 Cb 0.60 -2.17 -0.04 0.00 -0.00 0.00 0.00 39.64 38.03 1br1 n ILE 124 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1br1 n ASN 125 N 8.30 0.59 -0.03 4.38 2.85 -0.91 -4.77 115.26 125.68 1br1 n ASN 125 Ca 0.25 1.15 -0.21 0.00 -0.11 0.00 0.00 54.58 55.65 1br1 n ASN 125 Cb 0.36 -1.14 -0.13 0.00 1.24 0.00 0.00 39.78 40.11 1br1 n ASN 125 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1br1 h PRO 126 N 2.46 0.17 0.00 1.20 0.13 -1.93 -3.43 132.00 130.60 1br1 h PRO 126 Ca -0.40 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1br1 h PRO 126 Cb 1.37 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1br1 h PRO 126 CO 0.64 1.14 0.00 0.66 -0.23 0.00 0.00 178.00 180.22 1br1 n TYR 127 N -3.97 0.00 -4.44 1.56 4.01 -1.26 -4.16 117.16 108.90 1br1 n TYR 127 Ca -0.29 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.21 1br1 n TYR 127 Cb 0.87 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.75 1br1 n TYR 127 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1br1 s LYS 128 N -0.03 1.59 -1.46 -0.72 2.20 -1.26 -4.83 119.74 115.24 1br1 s LYS 128 Ca 0.00 -1.66 -0.11 0.00 -0.36 0.00 0.00 55.97 53.84 1br1 s LYS 128 Cb 0.00 -1.75 0.04 0.00 -1.51 0.00 0.00 37.83 34.61 1br1 s LYS 128 CO 0.00 0.35 2.37 1.04 -0.36 0.00 0.00 175.35 178.75 1br1 n GLN 129 N -0.26 3.41 -1.08 4.03 3.00 -1.26 -4.98 117.38 120.23 1br1 n GLN 129 Ca -0.08 -2.77 -0.33 0.00 -0.01 0.00 0.00 57.00 53.81 1br1 n GLN 129 Cb 0.58 -3.02 0.13 0.00 0.00 0.00 0.00 30.24 27.93 1br1 n GLN 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1br1 n LEU 130 N 4.54 4.25 -3.82 1.08 4.77 -1.26 -4.94 117.00 121.62 1br1 n LEU 130 Ca 0.58 0.58 -0.38 0.00 -0.03 0.00 0.00 56.01 56.75 1br1 n LEU 130 Cb 0.33 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1br1 n LEU 130 CO 0.85 -1.77 0.81 -0.81 -1.33 0.00 0.00 177.39 175.14 1br1 n PRO 131 N -3.26 3.88 -0.85 3.23 -0.04 -1.26 -4.74 135.00 131.97 1br1 n PRO 131 Ca 0.13 -4.60 0.05 0.00 -0.04 0.00 0.00 63.50 59.05 1br1 n PRO 131 Cb 0.50 -2.43 0.11 0.00 -0.04 0.00 0.00 33.50 31.65 1br1 n PRO 131 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1br1 n ILE 132 N 1.16 1.15 -3.69 0.52 -5.35 -1.26 -4.92 119.36 106.97 1br1 n ILE 132 Ca 0.27 -1.99 -0.28 0.00 -0.27 0.00 0.00 62.75 60.49 1br1 n ILE 132 Cb 0.36 0.28 -0.16 0.00 -1.74 0.00 0.00 39.64 38.37 1br1 n ILE 132 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1br1 s TYR 133 N -1.70 0.93 -0.09 4.28 2.02 -1.26 -4.97 117.35 116.56 1br1 s TYR 133 Ca 0.32 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.79 1br1 s TYR 133 Cb 0.33 -1.08 0.11 0.00 -0.40 0.00 0.00 41.96 40.92 1br1 s TYR 133 CO -0.09 -0.67 0.92 0.45 -1.57 0.00 0.00 175.55 174.59 1br1 s SER 134 N 1.89 -0.41 0.27 2.29 0.15 -1.26 -4.84 113.70 111.80 1br1 s SER 134 Ca 0.03 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.93 1br1 s SER 134 Cb -0.17 0.36 0.53 0.00 -1.71 0.00 0.00 66.02 65.04 1br1 s SER 134 CO -0.15 -0.47 1.59 -0.08 1.20 0.00 0.00 173.24 175.33 1br1 h GLU 135 N 2.43 0.03 -0.41 5.44 4.57 0.62 0.52 114.58 127.78 1br1 h GLU 135 Ca -0.21 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1br1 h GLU 135 Cb 1.19 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.69 1br1 h GLU 135 CO 0.32 0.02 -0.50 -0.22 -1.18 0.00 0.00 179.01 177.45 1br1 h LYS 136 N 0.04 -0.31 0.00 1.92 3.64 -1.91 0.48 116.57 120.43 1br1 h LYS 136 Ca 0.48 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1br1 h LYS 136 Cb 0.88 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1br1 h LYS 136 CO -0.85 -0.21 -0.16 0.82 -2.27 0.00 0.00 179.45 176.78 1br1 h ILE 137 N -0.32 0.85 0.09 2.00 1.08 -0.62 -2.56 117.51 118.02 1br1 h ILE 137 Ca 0.07 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1br1 h ILE 137 Cb 0.51 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1br1 h ILE 137 CO -0.56 0.16 -0.04 0.40 -0.69 0.00 0.00 178.15 177.42 1br1 h ILE 138 N 0.00 0.97 0.00 -0.67 1.08 0.19 -2.68 117.51 116.40 1br1 h ILE 138 Ca -0.00 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1br1 h ILE 138 Cb 0.35 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1br1 h ILE 138 CO 0.02 0.06 -0.11 0.44 -0.69 0.00 0.00 178.15 177.86 1br1 h ASP 139 N -0.23 0.00 -0.38 1.72 3.32 -0.91 -0.58 116.42 119.37 1br1 h ASP 139 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1br1 h ASP 139 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1br1 h ASP 139 CO 0.02 0.11 0.09 0.24 -1.72 0.00 0.00 179.24 177.98 1br1 h MET 140 N 0.00 0.61 0.00 3.56 2.86 -1.14 -3.10 114.93 117.72 1br1 h MET 140 Ca -0.00 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1br1 h MET 140 Cb 0.47 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1br1 h MET 140 CO 0.01 0.65 -0.37 1.88 1.06 0.00 0.00 176.91 180.14 1br1 h TYR 141 N 0.47 0.00 -1.15 -0.22 0.05 -1.15 -3.42 116.97 111.55 1br1 h TYR 141 Ca 0.12 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.21 1br1 h TYR 141 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1br1 h TYR 141 CO 0.02 0.06 1.28 1.17 -1.05 0.00 0.00 178.16 179.64 1br1 n LYS 142 N -2.98 1.07 0.00 4.88 4.81 -0.28 -0.77 118.16 124.89 1br1 n LYS 142 Ca 0.02 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1br1 n LYS 142 Cb 0.56 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1br1 n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1br1 n GLY 143 N 6.01 2.28 3.65 3.14 0.00 -1.26 -4.96 105.19 114.05 1br1 n GLY 143 Ca 0.38 -0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.83 1br1 n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1br1 n LYS 144 N 0.00 1.43 0.00 1.61 3.00 0.05 -4.95 118.16 119.30 1br1 n LYS 144 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1br1 n LYS 144 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 32.81 1br1 n LYS 144 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1br1 n LYS 145 N 4.11 -0.19 0.02 1.64 4.81 -1.26 -4.90 118.16 122.39 1br1 n LYS 145 Ca 0.21 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.47 1br1 n LYS 145 Cb 0.20 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.14 1br1 n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1br1 h ARG 146 N 0.00 0.49 0.00 1.64 -0.00 -1.92 -3.36 114.38 111.23 1br1 h ARG 146 Ca 0.00 -0.55 -0.01 0.00 -0.50 0.00 0.00 59.98 58.92 1br1 h ARG 146 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.13 1br1 h ARG 146 CO 0.00 1.19 -1.44 -2.39 0.00 0.00 0.00 179.97 177.33 1br1 n HIS 147 N -4.09 0.57 0.33 3.04 1.44 -1.26 -4.14 115.22 111.11 1br1 n HIS 147 Ca -0.11 0.17 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 1br1 n HIS 147 Cb 0.76 -0.78 0.08 0.00 0.12 0.00 0.00 29.99 30.17 1br1 n HIS 147 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1br1 n GLU 148 N -2.52 0.17 -3.84 -1.40 -0.58 -1.26 -4.68 120.64 106.53 1br1 n GLU 148 Ca -0.02 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.65 1br1 n GLU 148 Cb 0.58 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.18 1br1 n GLU 148 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1br1 s MET 149 N -2.00 1.72 0.35 3.49 -1.94 -1.26 -4.90 119.30 114.76 1br1 s MET 149 Ca 0.04 -0.97 -0.07 0.00 -1.71 0.00 0.00 55.69 52.98 1br1 s MET 149 Cb 0.02 0.58 -0.05 0.00 2.01 0.00 0.00 34.83 37.38 1br1 s MET 149 CO 0.03 -0.79 0.66 -1.25 -0.01 0.00 0.00 175.02 173.66 1br1 s PRO 150 N -3.68 3.68 0.03 2.03 0.04 -1.26 -4.94 135.00 130.89 1br1 s PRO 150 Ca 0.12 0.19 -0.37 0.00 0.04 0.00 0.00 61.00 60.97 1br1 s PRO 150 Cb -0.05 -2.53 -0.17 0.00 0.04 0.00 0.00 34.50 31.80 1br1 s PRO 150 CO 0.07 0.08 1.41 -0.35 0.04 0.00 0.00 177.00 178.24 1br1 n PRO 151 N -1.22 1.15 -3.46 0.56 -0.04 -1.26 -4.93 135.00 125.80 1br1 n PRO 151 Ca -0.00 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1br1 n PRO 151 Cb 0.54 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 1br1 n PRO 151 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1br1 s HIS 152 N 0.99 -0.48 0.04 0.54 2.46 -1.26 -4.69 115.29 112.90 1br1 s HIS 152 Ca 0.87 0.35 -0.25 0.00 0.47 0.00 0.00 55.06 56.50 1br1 s HIS 152 Cb -0.97 0.54 -0.17 0.00 -0.13 0.00 0.00 32.58 31.85 1br1 s HIS 152 CO 0.50 -0.72 1.52 0.97 -2.47 0.00 0.00 174.74 174.54 1br1 h ILE 153 N 2.08 0.99 -0.07 0.89 6.09 -1.96 -2.20 117.51 123.34 1br1 h ILE 153 Ca -0.29 -0.41 0.02 0.00 -1.37 0.00 0.00 64.86 62.81 1br1 h ILE 153 Cb 1.27 1.25 -0.00 0.00 0.47 0.00 0.00 36.82 39.81 1br1 h ILE 153 CO 0.35 0.10 0.66 1.88 -3.07 0.00 0.00 178.15 178.08 1br1 h TYR 154 N -0.34 0.00 0.04 2.19 0.05 -1.95 0.46 116.97 117.42 1br1 h TYR 154 Ca -0.02 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1br1 h TYR 154 Cb 0.28 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.03 1br1 h TYR 154 CO -0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 178.16 176.67 1br1 h ALA 155 N 0.74 -0.01 -0.73 3.88 0.00 -1.75 -2.66 119.26 118.73 1br1 h ALA 155 Ca 0.04 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1br1 h ALA 155 Cb 1.36 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1br1 h ALA 155 CO -0.00 0.20 0.48 0.82 0.00 0.00 0.00 179.25 180.75 1br1 h ILE 156 N -0.49 1.17 -0.05 0.00 2.04 -0.06 0.20 117.51 120.32 1br1 h ILE 156 Ca -0.07 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1br1 h ILE 156 Cb 1.25 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1br1 h ILE 156 CO 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 178.15 178.32 1br1 h ALA 157 N 1.27 -0.06 -0.32 1.87 0.00 -1.45 -1.91 119.26 118.66 1br1 h ALA 157 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1br1 h ALA 157 Cb -0.10 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1br1 h ALA 157 CO -0.07 -0.57 -0.30 0.22 0.00 0.00 0.00 179.25 178.54 1br1 h ASP 158 N -0.14 0.69 -0.87 0.00 1.82 -1.09 -0.56 116.42 116.28 1br1 h ASP 158 Ca 0.05 -0.27 0.03 0.00 -0.39 0.00 0.00 57.03 56.45 1br1 h ASP 158 Cb 0.21 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1br1 h ASP 158 CO -0.13 0.95 0.57 0.74 -1.61 0.00 0.00 179.24 179.76 1br1 h THR 159 N 0.57 1.16 0.20 2.25 2.02 -0.35 -1.84 112.91 116.92 1br1 h THR 159 Ca 0.07 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1br1 h THR 159 Cb 0.80 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1br1 h THR 159 CO 0.07 0.20 -0.09 0.00 0.37 0.00 0.00 175.52 176.06 1br1 h ALA 160 N 1.49 -0.27 -0.31 6.16 0.00 -1.24 -2.50 119.26 122.60 1br1 h ALA 160 Ca 0.34 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1br1 h ALA 160 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1br1 h ALA 160 CO -0.09 -0.25 0.76 -0.92 0.00 0.00 0.00 179.25 178.74 1br1 h TYR 161 N -1.04 0.00 0.00 0.00 3.20 -0.99 0.41 116.97 118.55 1br1 h TYR 161 Ca -0.03 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 1br1 h TYR 161 Cb 0.20 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1br1 h TYR 161 CO 0.00 0.00 -1.07 -2.13 -1.64 0.00 0.00 178.16 173.32 1br1 n ARG 162 N -3.00 0.52 -0.33 1.82 0.63 -0.70 -3.79 116.66 111.81 1br1 n ARG 162 Ca 0.06 0.52 0.31 0.00 -0.92 0.00 0.00 57.85 57.82 1br1 n ARG 162 Cb 0.87 -1.69 0.58 0.00 0.45 0.00 0.00 32.46 32.67 1br1 n ARG 162 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1br1 h SER 163 N -1.00 0.34 0.85 6.15 0.87 0.16 0.95 113.55 121.88 1br1 h SER 163 Ca -0.23 0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1br1 h SER 163 Cb 1.02 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1br1 h SER 163 CO -0.14 -0.39 -0.42 -0.03 -0.53 0.00 0.00 176.83 175.31 1br1 h MET 164 N 0.04 -1.12 0.00 2.24 1.85 -0.99 -2.42 114.93 114.53 1br1 h MET 164 Ca 0.84 0.08 0.00 0.00 -0.61 0.00 0.00 59.70 60.00 1br1 h MET 164 Cb 2.20 0.25 0.00 0.00 0.43 0.00 0.00 31.60 34.48 1br1 h MET 164 CO -0.74 -0.75 0.00 1.28 -0.40 0.00 0.00 176.91 176.31 1br1 n LEU 165 N -5.15 0.02 -0.05 3.39 4.77 0.30 -1.14 117.00 119.14 1br1 n LEU 165 Ca -0.14 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1br1 n LEU 165 Cb 0.46 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1br1 n LEU 165 CO 0.35 -0.42 -0.22 1.56 -1.33 0.00 0.00 177.39 177.33 1br1 h GLN 166 N 0.00 0.00 -0.60 3.23 1.08 -0.21 -3.40 115.11 115.21 1br1 h GLN 166 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1br1 h GLN 166 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1br1 h GLN 166 CO 0.00 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 177.48 1br1 n ASP 167 N -3.96 3.53 -3.41 1.46 5.68 -0.95 -4.98 116.55 113.92 1br1 n ASP 167 Ca -0.04 -2.22 -0.34 0.00 -0.50 0.00 0.00 54.79 51.68 1br1 n ASP 167 Cb 0.16 -0.46 0.03 0.00 -1.14 0.00 0.00 41.12 39.72 1br1 n ASP 167 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1br1 n ARG 168 N 0.94 -1.97 -3.08 0.11 1.74 -0.29 -4.99 116.66 109.12 1br1 n ARG 168 Ca 0.20 1.52 0.03 0.00 -0.77 0.00 0.00 57.85 58.83 1br1 n ARG 168 Cb 0.63 -2.53 -0.00 0.00 -1.02 0.00 0.00 32.46 29.54 1br1 n ARG 168 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1br1 s GLU 169 N -2.44 0.39 0.16 5.56 2.12 -1.18 -5.07 118.70 118.26 1br1 s GLU 169 Ca 0.36 0.12 -0.07 0.00 0.36 0.00 0.00 54.97 55.73 1br1 s GLU 169 Cb -0.04 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1br1 s GLU 169 CO 0.84 -0.65 0.00 -0.25 -0.54 0.00 0.00 175.26 174.66 1br1 n ASP 170 N 4.73 -1.17 -4.16 -1.70 8.00 -1.26 -4.57 116.55 116.42 1br1 n ASP 170 Ca 0.08 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.75 1br1 n ASP 170 Cb 0.58 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1br1 n ASP 170 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1br1 s GLN 171 N -0.37 0.87 0.01 -1.24 -1.52 -1.18 -0.60 119.66 115.63 1br1 s GLN 171 Ca 0.21 -1.38 0.03 0.00 -1.95 0.00 0.00 55.36 52.28 1br1 s GLN 171 Cb -0.21 -0.04 -0.01 0.00 -0.22 0.00 0.00 33.01 32.53 1br1 s GLN 171 CO 0.23 -0.11 -0.09 -1.54 -0.25 0.00 0.00 175.29 173.53 1br1 s SER 172 N -3.05 1.08 -0.29 5.90 1.04 0.28 0.14 113.70 118.81 1br1 s SER 172 Ca 0.16 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1br1 s SER 172 Cb 0.07 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.16 1br1 s SER 172 CO -0.03 0.06 -0.04 -0.63 0.98 0.00 0.00 173.24 173.58 1br1 s ILE 173 N -0.44 2.40 -0.41 -1.02 1.01 0.54 0.91 121.20 124.20 1br1 s ILE 173 Ca 0.01 -1.77 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 1br1 s ILE 173 Cb -0.05 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1br1 s ILE 173 CO 0.00 -0.20 0.27 -0.76 0.00 0.00 0.00 174.94 174.25 1br1 s LEU 174 N 1.09 5.05 -0.49 2.97 1.43 0.06 -1.34 118.68 127.44 1br1 s LEU 174 Ca -0.03 -1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 51.69 1br1 s LEU 174 Cb -0.20 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1br1 s LEU 174 CO -0.05 -0.48 0.96 0.00 0.23 0.00 0.00 176.35 177.01 1br1 n THR 176 N 6.40 0.00 0.00 0.00 -2.24 -1.25 -4.61 114.28 112.58 1br1 n THR 176 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1br1 n THR 176 Cb 0.48 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1br1 n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br1 n GLY 177 N 5.00 0.48 3.67 3.38 0.00 -1.26 -3.65 105.19 112.81 1br1 n GLY 177 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1br1 n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1br1 s GLU 178 N -4.83 0.96 0.03 1.61 -1.05 -1.26 -4.52 118.70 109.64 1br1 s GLU 178 Ca 0.00 1.30 -0.36 0.00 -0.15 0.00 0.00 54.97 55.75 1br1 s GLU 178 Cb 0.00 -1.74 -0.16 0.00 -0.44 0.00 0.00 34.13 31.80 1br1 s GLU 178 CO 0.00 -2.59 1.49 0.45 0.95 0.00 0.00 175.26 175.57 1br1 n SER 179 N -4.18 2.21 0.00 0.83 2.88 -0.72 -1.50 113.62 113.14 1br1 n SER 179 Ca 0.09 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1br1 n SER 179 Cb 0.53 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1br1 n SER 179 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1br1 n GLY 180 N 3.11 3.03 0.00 0.46 0.00 -1.26 -4.91 105.19 105.62 1br1 n GLY 180 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1br1 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n ALA 181 N -0.29 0.96 -0.44 4.61 0.00 -0.57 -4.66 120.51 120.13 1br1 n ALA 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1br1 n ALA 181 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1br1 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 182 N -0.57 0.73 0.34 0.00 0.00 -1.26 -3.89 105.19 100.53 1br1 n GLY 182 Ca 0.00 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.69 1br1 n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1br1 h LYS 183 N 0.03 0.60 0.13 1.61 6.56 -1.83 -3.09 116.57 120.58 1br1 h LYS 183 Ca 0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1br1 h LYS 183 Cb 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.53 1br1 h LYS 183 CO 0.00 0.40 -0.06 1.15 -2.06 0.00 0.00 179.45 178.87 1br1 h THR 184 N 0.62 0.00 -0.60 -0.16 2.02 -1.93 -3.28 112.91 109.58 1br1 h THR 184 Ca 0.60 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.72 1br1 h THR 184 Cb 1.06 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1br1 h THR 184 CO -0.45 0.00 -0.35 -0.62 0.37 0.00 0.00 175.52 174.47 1br1 n GLU 185 N -2.79 -0.26 0.29 6.66 -0.58 -1.20 0.25 120.64 123.00 1br1 n GLU 185 Ca -0.02 1.07 0.08 0.00 -0.42 0.00 0.00 57.16 57.87 1br1 n GLU 185 Cb 0.07 -1.58 0.45 0.00 -0.57 0.00 0.00 31.44 29.81 1br1 n GLU 185 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1br1 h ASN 186 N 0.00 0.00 0.11 1.62 2.35 -1.68 0.54 115.58 118.52 1br1 h ASN 186 Ca 0.10 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 1br1 h ASN 186 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1br1 h ASN 186 CO -0.56 0.00 -1.47 0.74 -1.65 0.00 0.00 177.43 174.48 1br1 h THR 187 N 0.00 0.97 -0.42 2.81 2.02 0.32 -3.13 112.91 115.48 1br1 h THR 187 Ca 0.00 -2.38 0.09 0.00 0.77 0.00 0.00 66.41 64.89 1br1 h THR 187 Cb 1.06 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 70.11 1br1 h THR 187 CO 0.00 0.70 0.30 0.11 0.37 0.00 0.00 175.52 177.00 1br1 h LYS 188 N -0.30 0.15 0.32 6.66 1.57 0.69 -1.99 116.57 123.68 1br1 h LYS 188 Ca -0.32 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1br1 h LYS 188 Cb 1.77 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1br1 h LYS 188 CO 0.05 0.10 -0.15 0.87 -0.57 0.00 0.00 179.45 179.74 1br1 h LYS 189 N 0.16 -0.42 -1.19 3.15 1.79 -1.45 -0.13 116.57 118.48 1br1 h LYS 189 Ca 0.20 0.03 0.36 0.00 -2.18 0.00 0.00 60.65 59.06 1br1 h LYS 189 Cb 0.58 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 31.21 1br1 h LYS 189 CO -0.03 -0.10 0.76 0.28 -1.08 0.00 0.00 179.45 179.29 1br1 h VAL 190 N -0.94 0.28 0.05 0.50 2.07 -1.32 0.93 116.25 117.82 1br1 h VAL 190 Ca -0.04 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1br1 h VAL 190 Cb 0.51 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1br1 h VAL 190 CO 0.07 0.04 -0.50 0.40 0.02 0.00 0.00 177.57 177.60 1br1 h ILE 191 N 0.21 1.55 -0.72 4.57 2.04 -1.36 -2.64 117.51 121.16 1br1 h ILE 191 Ca 0.73 -2.27 0.16 0.00 1.00 0.00 0.00 64.86 64.48 1br1 h ILE 191 Cb 2.12 3.00 -0.13 0.00 -0.74 0.00 0.00 36.82 41.07 1br1 h ILE 191 CO -0.39 0.63 -0.05 -0.61 0.00 0.00 0.00 178.15 177.73 1br1 h GLN 192 N -0.45 0.07 0.39 2.37 4.15 0.26 0.46 115.11 122.36 1br1 h GLN 192 Ca -0.08 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1br1 h GLN 192 Cb 1.31 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1br1 h GLN 192 CO 0.10 0.05 -0.19 -0.92 -1.93 0.00 0.00 178.83 175.93 1br1 h TYR 193 N 0.07 -0.49 0.00 3.99 5.03 -0.25 -3.12 116.97 122.21 1br1 h TYR 193 Ca 0.38 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1br1 h TYR 193 Cb 0.64 0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1br1 h TYR 193 CO -0.46 -0.30 0.38 -0.07 -1.32 0.00 0.00 178.16 176.39 1br1 h LEU 194 N -0.75 0.00 -0.69 2.82 4.07 -1.08 0.17 115.31 119.85 1br1 h LEU 194 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1br1 h LEU 194 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1br1 h LEU 194 CO 0.09 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1br1 h ALA 195 N 1.22 1.00 0.00 1.53 0.00 -0.02 -2.77 119.26 120.21 1br1 h ALA 195 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1br1 h ALA 195 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1br1 h ALA 195 CO 0.00 0.00 -1.26 1.55 0.00 0.00 0.00 179.25 179.54 1br1 n VAL 196 N -2.82 0.26 0.27 0.00 3.14 0.42 -4.15 118.33 115.45 1br1 n VAL 196 Ca 0.03 -0.09 0.15 0.00 -2.96 0.00 0.00 64.34 61.46 1br1 n VAL 196 Cb 0.38 -0.86 0.72 0.00 -1.06 0.00 0.00 33.84 33.02 1br1 n VAL 196 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1br1 h VAL 197 N -0.04 0.28 0.00 1.55 2.07 -1.22 -3.28 116.25 115.61 1br1 h VAL 197 Ca -0.11 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1br1 h VAL 197 Cb 1.15 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1br1 h VAL 197 CO -0.03 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1br1 n ALA 198 N -2.17 1.78 -1.10 1.67 0.00 -1.05 -5.02 120.51 114.61 1br1 n ALA 198 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 1br1 n ALA 198 Cb 0.28 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.91 1br1 n ALA 198 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 199 N -0.61 2.62 -0.01 0.00 1.04 -1.24 -3.07 113.70 112.43 1br1 s SER 199 Ca 0.00 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 57.72 1br1 s SER 199 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1br1 s SER 199 CO 0.00 -3.15 0.13 -0.55 0.98 0.00 0.00 173.24 170.65 1br1 s SER 200 N -3.34 6.01 0.20 7.02 0.15 -1.26 -4.87 113.70 117.61 1br1 s SER 200 Ca 0.65 0.25 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1br1 s SER 200 Cb -0.19 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1br1 s SER 200 CO 0.58 0.27 0.23 -1.38 1.20 0.00 0.00 173.24 174.15 1br1 s HIS 201 N -1.24 3.27 -0.25 3.44 -3.43 -1.26 -4.26 115.29 111.56 1br1 s HIS 201 Ca 0.24 -0.02 -0.00 0.00 -0.80 0.00 0.00 55.06 54.48 1br1 s HIS 201 Cb -0.12 -1.52 0.19 0.00 -1.43 0.00 0.00 32.58 29.70 1br1 s HIS 201 CO 0.15 0.50 1.91 1.17 -2.00 0.00 0.00 174.74 176.48 1br1 n LYS 202 N -0.88 1.63 0.00 -0.38 4.81 -1.26 -4.92 118.16 117.16 1br1 n LYS 202 Ca -0.08 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.09 1br1 n LYS 202 Cb 0.56 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1br1 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1br1 n GLY 203 N 0.44 1.21 7.00 3.14 0.00 -1.26 -5.21 105.19 110.51 1br1 n GLY 203 Ca 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1br1 n GLY 203 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1br1 n LYS 204 N 2.36 0.00 0.00 1.61 4.76 -1.26 -5.20 118.16 120.43 1br1 n LYS 204 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1br1 n LYS 204 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1br1 n LYS 204 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1br1 n GLN 211 N 0.00 0.00 0.00 1.97 10.64 -1.23 -5.16 117.38 123.60 1br1 n GLN 211 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1br1 n GLN 211 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1br1 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1br1 n GLY 212 N 0.34 2.91 0.00 2.61 0.00 -1.26 -0.45 105.19 109.34 1br1 n GLY 212 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1br1 n GLY 212 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1br1 n PRO 213 N 14.00 0.04 -1.57 1.61 -0.04 -1.26 0.12 135.00 147.90 1br1 n PRO 213 Ca 0.00 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1br1 n PRO 213 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1br1 n PRO 213 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1br1 n SER 214 N -1.45 2.84 0.00 3.54 7.64 0.41 -4.86 113.62 121.74 1br1 n SER 214 Ca 0.03 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1br1 n SER 214 Cb 0.11 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1br1 n SER 214 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1br1 n PHE 215 N 12.57 0.00 -3.16 1.43 -0.00 -1.26 -3.52 117.46 123.52 1br1 n PHE 215 Ca 0.34 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.36 1br1 n PHE 215 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.85 1br1 n PHE 215 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1br1 s SER 216 N 0.00 6.27 0.86 -2.13 1.04 -1.26 -5.05 113.70 113.43 1br1 s SER 216 Ca 0.00 -0.59 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 1br1 s SER 216 Cb 0.00 -2.29 0.14 0.00 0.10 0.00 0.00 66.02 63.97 1br1 s SER 216 CO 0.00 -0.78 1.21 -0.31 0.98 0.00 0.00 173.24 174.33 1br1 s TYR 217 N 2.65 2.12 0.00 5.02 1.51 -1.26 -4.94 117.35 122.45 1br1 s TYR 217 Ca 0.18 0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 1br1 s TYR 217 Cb -0.16 -3.71 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 1br1 s TYR 217 CO 0.16 -2.15 0.00 0.41 -1.11 0.00 0.00 175.55 172.86 1br1 n GLY 218 N -3.43 -3.68 0.14 0.71 0.00 -1.26 -4.83 105.19 92.84 1br1 n GLY 218 Ca 0.12 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1br1 n GLY 218 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1br1 h GLU 219 N 0.00 0.37 0.19 1.61 3.07 -1.98 -3.24 114.58 114.59 1br1 h GLU 219 Ca 0.00 -0.62 -0.31 0.00 -0.50 0.00 0.00 59.36 57.92 1br1 h GLU 219 Cb 0.00 0.23 0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1br1 h GLU 219 CO 0.00 1.27 -1.48 1.25 -1.40 0.00 0.00 179.01 178.65 1br1 h LEU 220 N 0.10 0.63 -2.68 1.33 5.85 -1.97 -3.22 115.31 115.34 1br1 h LEU 220 Ca -0.32 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 57.49 1br1 h LEU 220 Cb 2.08 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 1br1 h LEU 220 CO 0.18 1.68 0.05 -0.33 -0.34 0.00 0.00 178.44 179.68 1br1 h GLU 221 N -0.02 0.00 0.04 1.25 3.07 -1.91 0.27 114.58 117.28 1br1 h GLU 221 Ca -0.28 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1br1 h GLU 221 Cb 2.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.91 1br1 h GLU 221 CO 0.18 0.00 -0.02 -0.22 -1.40 0.00 0.00 179.01 177.56 1br1 h LYS 222 N 0.00 -0.05 -0.00 2.33 3.64 -1.58 -2.65 116.57 118.26 1br1 h LYS 222 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1br1 h LYS 222 Cb 0.11 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1br1 h LYS 222 CO -0.00 0.12 -0.00 1.96 -2.27 0.00 0.00 179.45 179.26 1br1 h GLN 223 N -0.21 0.01 -1.07 1.90 4.20 -0.89 -2.93 115.11 116.11 1br1 h GLN 223 Ca -0.01 -0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.01 1br1 h GLN 223 Cb 0.19 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1br1 h GLN 223 CO 0.01 0.55 0.99 1.25 -0.67 0.00 0.00 178.83 180.95 1br1 h LEU 224 N -0.53 0.00 0.22 1.46 5.85 -0.61 0.57 115.31 122.26 1br1 h LEU 224 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1br1 h LEU 224 Cb 0.55 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.60 1br1 h LEU 224 CO 0.00 0.00 -1.56 0.25 -0.34 0.00 0.00 178.44 176.79 1br1 h LEU 225 N 0.00 0.72 -0.15 2.25 5.85 -1.33 -3.35 115.31 119.29 1br1 h LEU 225 Ca 0.51 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1br1 h LEU 225 Cb 2.48 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 43.27 1br1 h LEU 225 CO -0.01 1.73 -0.01 1.67 -0.34 0.00 0.00 178.44 181.48 1br1 n GLN 226 N -3.70 0.95 0.09 1.25 -0.06 0.19 -4.29 117.38 111.82 1br1 n GLN 226 Ca -0.20 -0.15 -0.04 0.00 -2.00 0.00 0.00 57.00 54.60 1br1 n GLN 226 Cb 1.07 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 25.73 1br1 n GLN 226 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1br1 h ALA 227 N 3.90 -0.44 -1.17 1.69 0.00 -1.47 -3.31 119.26 118.46 1br1 h ALA 227 Ca 0.00 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.20 1br1 h ALA 227 Cb 0.16 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1br1 h ALA 227 CO 0.00 -0.41 0.75 -0.97 0.00 0.00 0.00 179.25 178.61 1br1 h ASN 228 N -0.65 0.35 0.47 0.00 -0.73 -1.80 0.55 115.58 113.77 1br1 h ASN 228 Ca -0.03 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1br1 h ASN 228 Cb 0.22 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1br1 h ASN 228 CO 0.05 -0.06 0.00 -0.81 -0.37 0.00 0.00 177.43 176.24 1br1 n PRO 229 N -4.69 0.07 -0.07 6.67 -0.04 -1.25 -2.17 135.00 133.53 1br1 n PRO 229 Ca 0.31 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1br1 n PRO 229 Cb 1.15 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.09 1br1 n PRO 229 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1br1 n ILE 230 N -1.43 1.34 0.33 0.52 5.41 0.19 -4.05 119.36 121.67 1br1 n ILE 230 Ca 0.05 0.23 0.16 0.00 1.00 0.00 0.00 62.75 64.18 1br1 n ILE 230 Cb 0.17 -2.33 0.85 0.00 -0.71 0.00 0.00 39.64 37.62 1br1 n ILE 230 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1br1 h LEU 231 N -0.93 0.00 -1.08 1.39 3.38 -1.57 0.50 115.31 116.99 1br1 h LEU 231 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1br1 h LEU 231 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1br1 h LEU 231 CO 0.00 0.00 -0.26 -0.33 0.09 0.00 0.00 178.44 177.94 1br1 h GLU 232 N 0.00 0.00 0.00 1.13 5.08 -1.58 -3.24 114.58 115.97 1br1 h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1br1 h GLU 232 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1br1 h GLU 232 CO -0.00 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1br1 n ALA 233 N -2.25 0.00 -1.88 3.43 0.00 0.17 -2.57 120.51 117.42 1br1 n ALA 233 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1br1 n ALA 233 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1br1 n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1br1 n PHE 234 N -0.31 3.00 0.00 0.00 3.72 -1.24 -3.04 117.46 119.60 1br1 n PHE 234 Ca 0.00 -2.03 0.00 0.00 -0.05 0.00 0.00 57.45 55.37 1br1 n PHE 234 Cb 0.00 -2.37 0.00 0.00 -0.94 0.00 0.00 39.48 36.17 1br1 n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1br1 n GLY 235 N 5.15 0.05 3.49 1.37 0.00 -1.22 -4.88 105.19 109.15 1br1 n GLY 235 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1br1 n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1br1 s ASN 236 N 0.00 3.94 -0.11 1.61 -0.87 -1.06 -1.06 114.94 117.39 1br1 s ASN 236 Ca 0.00 -0.48 -0.30 0.00 -1.57 0.00 0.00 52.86 50.51 1br1 s ASN 236 Cb 0.00 -0.62 0.10 0.00 -0.02 0.00 0.00 41.25 40.71 1br1 s ASN 236 CO 0.00 0.21 0.84 0.00 -2.57 0.00 0.00 177.10 175.58 1br1 s ALA 237 N -1.07 -1.85 0.14 0.60 0.00 -0.39 -1.84 121.76 117.35 1br1 s ALA 237 Ca 0.17 1.47 -0.33 0.00 0.00 0.00 0.00 51.96 53.28 1br1 s ALA 237 Cb -0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.50 1br1 s ALA 237 CO 0.09 -0.34 1.73 1.17 0.00 0.00 0.00 175.76 178.41 1br1 n LYS 238 N 0.88 2.53 -4.16 0.00 4.81 -1.13 -2.87 118.16 118.21 1br1 n LYS 238 Ca -0.14 0.92 -0.10 0.00 -0.87 0.00 0.00 58.31 58.11 1br1 n LYS 238 Cb 0.57 -2.75 -0.10 0.00 0.02 0.00 0.00 35.03 32.77 1br1 n LYS 238 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1br1 s THR 239 N 1.90 0.30 -1.80 3.15 -4.23 -0.64 -1.82 115.64 112.50 1br1 s THR 239 Ca 0.80 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1br1 s THR 239 Cb -0.57 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1br1 s THR 239 CO 0.38 -0.60 0.40 1.33 -0.54 0.00 0.00 174.62 175.58 1br1 n VAL 240 N -0.08 0.00 0.00 2.29 0.24 -1.26 -0.74 118.33 118.77 1br1 n VAL 240 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1br1 n VAL 240 Cb 0.63 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1br1 n VAL 240 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1br1 n LYS 241 N -0.89 3.07 -3.33 7.34 5.02 -1.26 -5.06 118.16 123.06 1br1 n LYS 241 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1br1 n LYS 241 Cb 0.00 -0.65 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1br1 n LYS 241 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1br1 s ASN 242 N -1.12 -0.72 0.50 4.39 2.47 0.08 -4.73 114.94 115.80 1br1 s ASN 242 Ca 0.00 0.76 0.32 0.00 0.42 0.00 0.00 52.86 54.37 1br1 s ASN 242 Cb 0.00 1.73 1.44 0.00 -1.45 0.00 0.00 41.25 42.97 1br1 s ASN 242 CO 0.00 -0.14 1.77 0.44 -3.72 0.00 0.00 177.10 175.46 1br1 h ASP 243 N 7.74 0.13 -2.15 -4.21 3.32 -1.88 -1.60 116.42 117.76 1br1 h ASP 243 Ca -0.16 0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.34 1br1 h ASP 243 Cb 1.13 0.01 -0.40 0.00 0.22 0.00 0.00 39.33 40.30 1br1 h ASP 243 CO 0.07 0.01 -0.93 -3.20 -1.72 0.00 0.00 179.24 173.46 1br1 n ASN 244 N -4.31 1.17 -4.79 6.45 5.15 -1.26 -2.83 115.26 114.84 1br1 n ASN 244 Ca 0.27 -2.87 -0.38 0.00 -0.60 0.00 0.00 54.58 51.00 1br1 n ASN 244 Cb 1.20 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 39.75 1br1 n ASN 244 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1br1 s SER 245 N -1.38 7.29 -0.56 1.20 0.15 -0.99 -4.79 113.70 114.62 1br1 s SER 245 Ca 0.36 1.66 -0.28 0.00 0.70 0.00 0.00 55.95 58.38 1br1 s SER 245 Cb 0.14 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1br1 s SER 245 CO -0.10 0.05 1.21 -0.44 1.20 0.00 0.00 173.24 175.16 1br1 s SER 246 N -1.47 6.46 -0.04 5.45 0.01 -1.26 -1.26 113.70 121.58 1br1 s SER 246 Ca 0.43 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.92 1br1 s SER 246 Cb -0.20 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 63.62 1br1 s SER 246 CO 0.24 -1.46 0.72 0.54 0.41 0.00 0.00 173.24 173.69 1br1 n ARG 247 N 8.34 1.65 -3.64 12.44 3.00 -0.22 -4.76 116.66 133.47 1br1 n ARG 247 Ca 0.10 -0.53 -0.07 0.00 -0.01 0.00 0.00 57.85 57.34 1br1 n ARG 247 Cb 0.49 -1.62 -0.07 0.00 0.00 0.00 0.00 32.46 31.26 1br1 n ARG 247 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1br1 s PHE 248 N -1.30 -0.50 0.68 -1.55 -0.71 -1.26 -2.27 117.98 111.05 1br1 s PHE 248 Ca 0.09 1.14 -0.17 0.00 -1.04 0.00 0.00 56.93 56.96 1br1 s PHE 248 Cb 0.07 0.37 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 1br1 s PHE 248 CO 0.03 -0.25 1.22 0.20 -1.34 0.00 0.00 175.22 175.08 1br1 s GLY 249 N 0.59 2.54 -0.14 1.99 0.00 -1.26 -4.65 107.32 106.38 1br1 s GLY 249 Ca -0.01 0.96 -0.11 0.00 0.00 0.00 0.00 44.72 45.56 1br1 s GLY 249 CO -0.10 1.37 0.37 -1.59 0.00 0.00 0.00 173.10 173.15 1br1 s LYS 250 N -3.67 0.40 -0.29 2.90 -2.85 0.25 -1.80 119.74 114.68 1br1 s LYS 250 Ca 0.76 0.59 -0.00 0.00 -1.00 0.00 0.00 55.97 56.32 1br1 s LYS 250 Cb -0.31 0.11 0.09 0.00 -2.06 0.00 0.00 37.83 35.67 1br1 s LYS 250 CO 0.41 -0.09 0.06 0.12 0.10 0.00 0.00 175.35 175.95 1br1 s PHE 251 N 0.63 2.01 0.10 1.78 2.19 -0.78 0.11 117.98 124.02 1br1 s PHE 251 Ca -0.04 -1.81 -0.24 0.00 0.33 0.00 0.00 56.93 55.18 1br1 s PHE 251 Cb -0.05 -1.78 -0.07 0.00 -1.31 0.00 0.00 43.02 39.81 1br1 s PHE 251 CO -0.04 -0.84 0.71 0.42 1.83 0.00 0.00 175.22 177.30 1br1 s ILE 252 N 1.52 4.60 -0.17 3.12 1.09 -0.59 -1.58 121.20 129.19 1br1 s ILE 252 Ca 0.06 1.54 0.01 0.00 -1.10 0.00 0.00 60.65 61.16 1br1 s ILE 252 Cb -0.18 -4.06 0.02 0.00 -1.06 0.00 0.00 42.46 37.18 1br1 s ILE 252 CO -0.18 0.47 -0.16 -0.60 -0.10 0.00 0.00 174.94 174.38 1br1 s ARG 253 N -0.73 2.49 -0.13 2.79 3.52 0.25 -1.66 118.95 125.48 1br1 s ARG 253 Ca 0.35 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1br1 s ARG 253 Cb -0.21 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1br1 s ARG 253 CO 0.23 -0.25 0.01 0.42 -0.81 0.00 0.00 175.30 174.90 1br1 s ILE 254 N 1.41 4.38 -0.17 4.11 1.01 -0.44 -0.29 121.20 131.21 1br1 s ILE 254 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1br1 s ILE 254 Cb -0.13 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1br1 s ILE 254 CO -0.11 0.54 -0.03 0.20 0.00 0.00 0.00 174.94 175.54 1br1 s ASN 255 N -0.21 4.81 0.08 3.58 0.01 -0.05 0.10 114.94 123.26 1br1 s ASN 255 Ca 0.06 -0.15 0.08 0.00 -0.71 0.00 0.00 52.86 52.14 1br1 s ASN 255 Cb -0.12 -1.80 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1br1 s ASN 255 CO 0.02 0.14 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.21 1br1 s PHE 256 N 0.55 2.54 0.00 2.20 0.08 0.17 0.53 117.98 124.06 1br1 s PHE 256 Ca -0.02 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1br1 s PHE 256 Cb -0.14 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1br1 s PHE 256 CO 0.02 0.31 0.00 -0.40 -0.10 0.00 0.00 175.22 175.06 1br1 n ASP 257 N 1.19 0.00 0.09 1.36 5.68 -0.17 -2.04 116.55 122.67 1br1 n ASP 257 Ca -0.16 -0.36 -0.15 0.00 -0.50 0.00 0.00 54.79 53.62 1br1 n ASP 257 Cb 0.52 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1br1 n ASP 257 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1br1 h VAL 258 N -0.36 1.46 0.00 2.12 2.07 -1.99 -3.16 116.25 116.39 1br1 h VAL 258 Ca 0.00 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1br1 h VAL 258 Cb 0.00 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1br1 h VAL 258 CO 0.00 0.83 0.00 0.35 0.02 0.00 0.00 177.57 178.77 1br1 n THR 259 N -3.61 0.96 -0.08 2.57 -2.24 -1.26 -4.86 114.28 105.77 1br1 n THR 259 Ca -0.08 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1br1 n THR 259 Cb 0.96 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1br1 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1br1 n GLY 260 N -0.03 0.96 3.88 3.38 0.00 -1.19 -5.10 105.19 107.09 1br1 n GLY 260 Ca 0.03 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1br1 n GLY 260 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1br1 s TYR 261 N -2.00 3.44 0.21 1.61 1.51 -1.26 -4.84 117.35 116.01 1br1 s TYR 261 Ca 0.00 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 1br1 s TYR 261 Cb 0.00 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 40.03 1br1 s TYR 261 CO 0.00 0.58 1.25 0.42 -1.11 0.00 0.00 175.55 176.69 1br1 s ILE 262 N -1.47 3.34 0.00 2.71 1.01 -1.18 -1.00 121.20 124.62 1br1 s ILE 262 Ca 0.33 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1br1 s ILE 262 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1br1 s ILE 262 CO 0.26 0.19 0.00 0.55 0.00 0.00 0.00 174.94 175.94 1br1 n VAL 263 N 2.39 0.00 -4.08 2.92 3.14 0.19 -4.76 118.33 118.12 1br1 n VAL 263 Ca 0.05 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.31 1br1 n VAL 263 Cb 0.44 -0.06 -0.06 0.00 -1.06 0.00 0.00 33.84 33.09 1br1 n VAL 263 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1br1 s GLY 264 N -0.97 1.12 -0.29 7.55 0.00 -0.99 -4.89 107.32 108.86 1br1 s GLY 264 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 1br1 s GLY 264 CO 0.00 -0.96 0.82 0.00 0.00 0.00 0.00 173.10 172.96 1br1 s ALA 265 N -3.70 -2.18 0.30 3.20 0.00 0.66 -0.87 121.76 119.17 1br1 s ALA 265 Ca 0.30 2.28 0.09 0.00 0.00 0.00 0.00 51.96 54.62 1br1 s ALA 265 Cb 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1br1 s ALA 265 CO 0.14 -0.59 0.03 1.21 0.00 0.00 0.00 175.76 176.55 1br1 s ASN 266 N 1.96 4.48 -0.17 0.00 3.04 0.61 -3.75 114.94 121.10 1br1 s ASN 266 Ca -0.08 -0.76 -0.04 0.00 0.04 0.00 0.00 52.86 52.03 1br1 s ASN 266 Cb -0.06 -0.74 0.08 0.00 -1.54 0.00 0.00 41.25 38.99 1br1 s ASN 266 CO -0.18 -0.13 0.23 -0.63 -3.04 0.00 0.00 177.10 173.36 1br1 s ILE 267 N -2.40 -0.35 -0.53 -5.21 1.09 -1.26 -0.58 121.20 111.96 1br1 s ILE 267 Ca 0.34 0.03 -0.16 0.00 -1.10 0.00 0.00 60.65 59.76 1br1 s ILE 267 Cb -0.04 -0.59 0.12 0.00 -1.06 0.00 0.00 42.46 40.89 1br1 s ILE 267 CO 0.20 -0.09 0.50 -0.70 -0.10 0.00 0.00 174.94 174.76 1br1 s GLU 268 N 2.36 2.99 0.44 2.79 2.56 -0.62 -4.96 118.70 124.26 1br1 s GLU 268 Ca 0.05 -1.61 -0.15 0.00 0.00 0.00 0.00 54.97 53.27 1br1 s GLU 268 Cb -0.14 -4.27 -0.08 0.00 2.00 0.00 0.00 34.13 31.64 1br1 s GLU 268 CO -0.11 -1.30 0.87 -0.08 -0.56 0.00 0.00 175.26 174.09 1br1 s THR 269 N 1.72 4.61 0.00 -1.70 -1.32 -1.26 -1.87 115.64 115.82 1br1 s THR 269 Ca 0.04 1.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 1br1 s THR 269 Cb -0.28 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 1br1 s THR 269 CO 0.04 -0.50 0.00 -1.22 -2.21 0.00 0.00 174.62 170.73 1br1 n TYR 270 N -1.15 0.00 -1.41 9.09 4.01 -0.75 -4.98 117.16 121.97 1br1 n TYR 270 Ca 0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.52 1br1 n TYR 270 Cb 0.54 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.47 1br1 n TYR 270 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1br1 n LEU 271 N 0.00 1.95 -4.55 7.72 4.77 -1.26 -4.81 117.00 120.82 1br1 n LEU 271 Ca 0.00 -2.48 -0.36 0.00 -0.03 0.00 0.00 56.01 53.14 1br1 n LEU 271 Cb 0.00 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 39.66 1br1 n LEU 271 CO 0.00 -2.54 1.44 -0.22 -1.33 0.00 0.00 177.39 174.74 1br1 s LEU 272 N 10.42 3.26 -0.07 2.23 2.96 -1.26 -4.39 118.68 131.82 1br1 s LEU 272 Ca 0.73 -0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 54.09 1br1 s LEU 272 Cb 0.03 -2.55 -0.31 0.00 0.50 0.00 0.00 46.19 43.86 1br1 s LEU 272 CO 0.21 -2.26 1.55 1.21 -1.32 0.00 0.00 176.35 175.74 1br1 n GLU 273 N 9.11 0.14 0.00 1.98 2.13 -0.96 -4.55 120.64 128.49 1br1 n GLU 273 Ca 0.23 -1.01 0.12 0.00 0.66 0.00 0.00 57.16 57.16 1br1 n GLU 273 Cb 0.50 -2.47 0.70 0.00 0.27 0.00 0.00 31.44 30.44 1br1 n GLU 273 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1br1 n LYS 274 N 7.51 0.80 0.05 5.31 -0.00 -1.26 -3.68 118.16 126.88 1br1 n LYS 274 Ca 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.69 1br1 n LYS 274 Cb 0.36 -1.46 -0.02 0.00 -0.00 0.00 0.00 35.03 33.91 1br1 n LYS 274 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1br1 h SER 275 N 0.00 -0.32 0.00 -5.58 0.02 -1.91 -2.09 113.55 103.68 1br1 h SER 275 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1br1 h SER 275 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1br1 h SER 275 CO 0.00 -0.13 0.30 -2.11 -1.14 0.00 0.00 176.83 173.75 1br1 n ARG 276 N -3.01 0.00 0.20 3.45 1.85 -1.24 -1.33 116.66 116.58 1br1 n ARG 276 Ca -0.02 0.01 0.14 0.00 -1.00 0.00 0.00 57.85 56.98 1br1 n ARG 276 Cb 0.09 -1.80 0.60 0.00 -1.05 0.00 0.00 32.46 30.30 1br1 n ARG 276 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1br1 h ALA 277 N 0.07 1.00 0.00 2.89 0.00 -1.63 -3.26 119.26 118.33 1br1 h ALA 277 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1br1 h ALA 277 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1br1 h ALA 277 CO 0.00 0.00 -1.85 0.44 0.00 0.00 0.00 179.25 177.84 1br1 n ILE 278 N -2.59 0.85 -3.59 0.00 -5.35 -0.44 -4.90 119.36 103.34 1br1 n ILE 278 Ca 0.01 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.00 1br1 n ILE 278 Cb 0.24 -0.99 -0.13 0.00 -1.74 0.00 0.00 39.64 37.02 1br1 n ILE 278 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1br1 s ARG 279 N -2.30 0.17 0.01 6.28 0.52 -1.23 -4.39 118.95 118.02 1br1 s ARG 279 Ca -0.19 0.58 -0.08 0.00 -0.52 0.00 0.00 55.73 55.53 1br1 s ARG 279 Cb 0.05 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 1br1 s ARG 279 CO 0.36 -0.41 0.29 -0.65 0.02 0.00 0.00 175.30 174.91 1br1 s GLN 280 N 2.40 3.63 0.00 3.54 1.11 -1.26 -4.34 119.66 124.75 1br1 s GLN 280 Ca 0.04 0.02 0.00 0.00 0.01 0.00 0.00 55.36 55.42 1br1 s GLN 280 Cb -0.13 -3.09 0.00 0.00 -1.01 0.00 0.00 33.01 28.78 1br1 s GLN 280 CO -0.10 0.65 0.00 0.00 0.01 0.00 0.00 175.29 175.85 1br1 n ALA 281 N 1.24 0.00 -2.58 6.09 0.00 -1.26 -4.68 120.51 119.32 1br1 n ALA 281 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1br1 n ALA 281 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1br1 n ALA 281 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1br1 s LYS 282 N -2.28 4.60 -0.98 0.00 2.36 -1.26 -3.56 119.74 118.62 1br1 s LYS 282 Ca 0.00 1.41 0.00 0.00 -2.55 0.00 0.00 55.97 54.83 1br1 s LYS 282 Cb 0.00 -3.43 0.00 0.00 -1.05 0.00 0.00 37.83 33.35 1br1 s LYS 282 CO 0.00 0.03 0.00 -0.25 1.55 0.00 0.00 175.35 176.68 1br1 n ASP 283 N 3.56 -4.79 -4.91 1.43 8.00 -1.26 -4.84 116.55 113.74 1br1 n ASP 283 Ca 0.05 0.23 -0.27 0.00 0.71 0.00 0.00 54.79 55.50 1br1 n ASP 283 Cb 0.50 -3.10 -0.01 0.00 -0.02 0.00 0.00 41.12 38.50 1br1 n ASP 283 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1br1 s GLU 284 N -2.55 2.24 0.24 -1.24 2.02 -1.23 -4.62 118.70 113.56 1br1 s GLU 284 Ca 0.00 -2.07 0.02 0.00 0.02 0.00 0.00 54.97 52.93 1br1 s GLU 284 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1br1 s GLU 284 CO 0.00 -0.65 0.17 1.03 0.02 0.00 0.00 175.26 175.83 1br1 s ARG 285 N -4.29 1.37 0.00 1.61 0.52 -0.76 -4.84 118.95 112.57 1br1 s ARG 285 Ca 0.31 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1br1 s ARG 285 Cb -0.02 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.71 1br1 s ARG 285 CO 0.20 -0.46 0.00 0.25 0.02 0.00 0.00 175.30 175.30 1br1 n THR 286 N -0.38 0.00 -1.75 0.02 -2.24 -1.26 -4.47 114.28 104.20 1br1 n THR 286 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1br1 n THR 286 Cb 0.65 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 1br1 n THR 286 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1br1 s PHE 287 N 0.39 1.41 0.00 4.78 0.40 -1.26 -4.42 117.98 119.28 1br1 s PHE 287 Ca 0.00 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 1br1 s PHE 287 Cb 0.00 -4.01 0.00 0.00 0.51 0.00 0.00 43.02 39.52 1br1 s PHE 287 CO 0.00 -3.81 0.00 0.72 0.70 0.00 0.00 175.22 172.83 1br1 n HIS 288 N 10.81 0.00 -0.20 0.36 8.25 -0.76 0.61 115.22 134.29 1br1 n HIS 288 Ca 0.27 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.92 1br1 n HIS 288 Cb 0.45 -0.17 0.36 0.00 1.12 0.00 0.00 29.99 31.76 1br1 n HIS 288 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1br1 n ILE 289 N -2.40 -0.26 0.04 1.59 0.13 -1.24 -0.74 119.36 116.48 1br1 n ILE 289 Ca 0.00 1.28 -0.04 0.00 -1.10 0.00 0.00 62.75 62.89 1br1 n ILE 289 Cb 0.00 -2.07 -0.02 0.00 -0.84 0.00 0.00 39.64 36.71 1br1 n ILE 289 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 1br1 h PHE 290 N 0.00 -0.33 -0.65 9.51 0.04 -0.19 0.19 116.94 125.51 1br1 h PHE 290 Ca 0.53 0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.41 1br1 h PHE 290 Cb 1.38 0.14 -0.08 0.00 2.20 0.00 0.00 35.95 39.59 1br1 h PHE 290 CO -0.02 -0.14 0.24 1.88 -0.60 0.00 0.00 178.31 179.67 1br1 h TYR 291 N -0.20 0.42 -0.51 -0.55 -1.99 -1.12 -0.08 116.97 112.94 1br1 h TYR 291 Ca -0.01 0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.86 1br1 h TYR 291 Cb 0.18 -0.09 -0.10 0.00 2.00 0.00 0.00 36.73 38.72 1br1 h TYR 291 CO -0.23 0.09 -0.19 1.88 -0.00 0.00 0.00 178.16 179.71 1br1 h TYR 292 N 0.42 -0.47 0.24 4.88 -1.99 -0.91 -1.92 116.97 117.22 1br1 h TYR 292 Ca 0.33 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 1br1 h TYR 292 Cb 0.44 0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1br1 h TYR 292 CO -0.17 -0.28 -0.11 1.25 -0.00 0.00 0.00 178.16 178.84 1br1 h LEU 293 N -0.07 -0.27 -1.46 3.88 5.85 0.10 1.93 115.31 125.27 1br1 h LEU 293 Ca 0.24 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1br1 h LEU 293 Cb 0.45 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1br1 h LEU 293 CO -0.56 -0.07 0.28 0.40 -0.34 0.00 0.00 178.44 178.14 1br1 h ILE 294 N -0.46 0.00 0.00 4.05 2.04 -0.61 -1.93 117.51 120.60 1br1 h ILE 294 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1br1 h ILE 294 Cb 0.35 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1br1 h ILE 294 CO 0.05 0.00 -0.96 0.00 0.00 0.00 0.00 178.15 177.25 1br1 n ALA 295 N -1.74 2.49 0.51 1.87 0.00 -0.77 -4.65 120.51 118.22 1br1 n ALA 295 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.21 1br1 n ALA 295 Cb 0.31 0.32 0.26 0.00 0.00 0.00 0.00 19.45 20.34 1br1 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 296 N 2.71 -0.55 3.74 0.00 0.00 0.65 -4.76 105.19 106.97 1br1 n GLY 296 Ca -0.10 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1br1 n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br1 n ALA 297 N -1.22 2.57 -1.78 4.61 0.00 -0.73 -4.94 120.51 119.02 1br1 n ALA 297 Ca 0.05 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 1br1 n ALA 297 Cb 0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 1br1 n ALA 297 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 298 N 0.67 6.86 0.18 0.00 1.04 -1.26 -4.78 113.70 116.40 1br1 s SER 298 Ca 0.67 2.05 -0.27 0.00 0.48 0.00 0.00 55.95 58.89 1br1 s SER 298 Cb -0.50 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.05 1br1 s SER 298 CO 0.44 -0.42 1.55 -0.08 0.98 0.00 0.00 173.24 175.71 1br1 h GLU 299 N 2.71 -0.07 0.00 4.02 4.22 -1.97 2.28 114.58 125.77 1br1 h GLU 299 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1br1 h GLU 299 Cb 1.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1br1 h GLU 299 CO 0.63 -0.05 0.00 0.94 -2.18 0.00 0.00 179.01 178.35 1br1 n GLN 300 N -5.34 0.00 0.27 1.92 0.00 -1.26 -1.70 117.38 111.26 1br1 n GLN 300 Ca 0.04 0.39 0.10 0.00 -0.00 0.00 0.00 57.00 57.53 1br1 n GLN 300 Cb 0.32 -1.27 0.53 0.00 0.00 0.00 0.00 30.24 29.82 1br1 n GLN 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 h MET 301 N 0.00 0.00 0.21 3.69 -0.00 -1.89 -1.45 114.93 115.49 1br1 h MET 301 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1br1 h MET 301 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 1br1 h MET 301 CO 0.00 0.00 -0.51 -0.09 -0.00 0.00 0.00 176.91 176.31 1br1 h ARG 302 N 0.00 -0.76 -0.38 -0.10 1.12 0.47 -2.55 114.38 112.18 1br1 h ARG 302 Ca 0.00 0.05 -0.13 0.00 -1.11 0.00 0.00 59.98 58.79 1br1 h ARG 302 Cb 0.82 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 1br1 h ARG 302 CO 0.00 -0.51 -0.28 -2.95 -3.11 0.00 0.00 179.97 173.12 1br1 h ASN 303 N -0.79 0.91 -0.58 -3.80 7.08 -1.25 -1.26 115.58 115.91 1br1 h ASN 303 Ca -0.02 -0.44 0.17 0.00 -3.08 0.00 0.00 56.30 52.93 1br1 h ASN 303 Cb 0.76 -0.26 -0.02 0.00 -2.08 0.00 0.00 38.32 36.73 1br1 h ASN 303 CO -0.23 1.16 1.11 0.44 -2.08 0.00 0.00 177.43 177.83 1br1 h ASP 304 N 0.68 0.00 0.00 6.14 5.19 -1.21 3.03 116.42 130.25 1br1 h ASP 304 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1br1 h ASP 304 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1br1 h ASP 304 CO 0.08 0.00 -0.00 0.18 -3.12 0.00 0.00 179.24 176.37 1br1 n LEU 305 N -2.93 1.57 -3.44 1.55 4.77 -1.12 -5.00 117.00 112.40 1br1 n LEU 305 Ca 0.13 -1.60 -0.22 0.00 -0.03 0.00 0.00 56.01 54.30 1br1 n LEU 305 Cb 1.28 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.42 1br1 n LEU 305 CO 0.13 0.40 -0.00 0.18 -1.33 0.00 0.00 177.39 176.77 1br1 n LEU 306 N -0.41 -4.41 -4.18 2.23 4.77 1.01 -4.72 117.00 111.30 1br1 n LEU 306 Ca 0.00 -0.82 -0.44 0.00 -0.03 0.00 0.00 56.01 54.73 1br1 n LEU 306 Cb 0.31 -2.83 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 1br1 n LEU 306 CO 0.00 0.21 1.06 0.18 -1.33 0.00 0.00 177.39 177.51 1br1 n LEU 307 N -3.57 5.95 -4.65 2.23 4.77 -0.48 -4.99 117.00 116.27 1br1 n LEU 307 Ca -0.08 -5.04 -0.31 0.00 -0.03 0.00 0.00 56.01 50.56 1br1 n LEU 307 Cb 0.60 -1.41 0.18 0.00 -2.33 0.00 0.00 43.42 40.46 1br1 n LEU 307 CO 0.62 1.44 0.66 -1.61 -1.33 0.00 0.00 177.39 177.18 1br1 s GLU 308 N -1.56 0.74 0.03 3.23 2.02 -1.26 -4.85 118.70 117.06 1br1 s GLU 308 Ca 0.33 1.50 -0.01 0.00 0.02 0.00 0.00 54.97 56.81 1br1 s GLU 308 Cb -0.02 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.52 1br1 s GLU 308 CO 0.01 -2.80 0.02 0.41 0.02 0.00 0.00 175.26 172.91 1br1 n GLY 309 N 0.35 -3.56 3.81 -1.39 0.00 -1.26 -4.89 105.19 98.24 1br1 n GLY 309 Ca 0.11 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1br1 n GLY 309 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 310 N -0.98 3.07 -0.68 1.61 0.40 -1.26 -3.44 117.98 116.71 1br1 s PHE 310 Ca 0.02 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1br1 s PHE 310 Cb -0.00 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1br1 s PHE 310 CO 0.01 -0.93 0.00 0.09 0.70 0.00 0.00 175.22 175.09 1br1 n ASN 311 N -1.78 -4.54 -0.23 1.36 5.03 -1.26 -4.77 115.26 109.07 1br1 n ASN 311 Ca 0.08 0.16 0.07 0.00 0.87 0.00 0.00 54.58 55.76 1br1 n ASN 311 Cb 0.53 -2.60 -0.02 0.00 -1.02 0.00 0.00 39.78 36.66 1br1 n ASN 311 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1br1 n ASN 312 N -0.20 1.24 -4.42 6.41 5.03 -1.22 -4.93 115.26 117.17 1br1 n ASN 312 Ca -0.06 -1.12 -0.31 0.00 0.87 0.00 0.00 54.58 53.95 1br1 n ASN 312 Cb 0.34 0.63 -0.14 0.00 -1.02 0.00 0.00 39.78 39.59 1br1 n ASN 312 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1br1 s TYR 313 N -1.89 2.53 -1.47 3.10 1.51 -1.26 -4.96 117.35 114.90 1br1 s TYR 313 Ca 0.10 -0.28 0.24 0.00 -1.01 0.00 0.00 57.07 56.12 1br1 s TYR 313 Cb 0.11 -1.52 0.32 0.00 -0.11 0.00 0.00 41.96 40.76 1br1 s TYR 313 CO 0.42 0.15 1.29 2.41 -1.11 0.00 0.00 175.55 178.70 1br1 n THR 314 N 2.02 0.00 0.88 -0.71 -1.04 -1.26 -3.93 114.28 110.24 1br1 n THR 314 Ca -0.16 -0.10 0.12 0.00 -2.04 0.00 0.00 64.05 61.87 1br1 n THR 314 Cb 0.52 0.67 0.55 0.00 -1.82 0.00 0.00 70.33 70.25 1br1 n THR 314 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1br1 n PHE 315 N -0.90 0.01 -3.38 -1.42 3.72 -1.26 -4.37 117.46 109.86 1br1 n PHE 315 Ca 0.08 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.03 1br1 n PHE 315 Cb 0.37 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1br1 n PHE 315 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1br1 s LEU 316 N -3.02 6.49 0.78 4.37 1.43 -1.25 -4.26 118.68 123.22 1br1 s LEU 316 Ca 0.12 -2.98 -0.12 0.00 -1.03 0.00 0.00 54.13 50.12 1br1 s LEU 316 Cb 0.17 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1br1 s LEU 316 CO 0.47 -0.47 1.13 -0.94 0.23 0.00 0.00 176.35 176.77 1br1 s SER 317 N 1.73 4.12 -1.66 2.29 1.04 -1.26 -2.44 113.70 117.51 1br1 s SER 317 Ca 0.21 2.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.70 1br1 s SER 317 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1br1 s SER 317 CO -0.08 -2.30 0.09 0.59 0.98 0.00 0.00 173.24 172.52 1br1 n ASN 318 N -3.36 -5.69 0.00 7.02 3.02 -1.26 -4.74 115.26 110.25 1br1 n ASN 318 Ca 0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1br1 n ASN 318 Cb 0.52 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1br1 n ASN 318 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1br1 n GLY 319 N -1.07 1.10 3.48 7.41 0.00 -1.02 -3.74 105.19 111.36 1br1 n GLY 319 Ca -0.21 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1br1 n GLY 319 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1br1 s HIS 320 N 0.00 2.98 0.01 1.61 5.65 -1.26 -4.91 115.29 119.37 1br1 s HIS 320 Ca 0.00 -0.28 -0.06 0.00 0.25 0.00 0.00 55.06 54.97 1br1 s HIS 320 Cb 0.00 -3.65 -0.05 0.00 -1.18 0.00 0.00 32.58 27.70 1br1 s HIS 320 CO 0.00 -1.09 0.27 0.08 -0.65 0.00 0.00 174.74 173.35 1br1 s VAL 321 N 3.05 5.31 0.22 0.89 1.01 -1.25 -5.10 120.40 124.53 1br1 s VAL 321 Ca 0.21 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1br1 s VAL 321 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1br1 s VAL 321 CO 0.16 0.35 0.38 -2.16 0.00 0.00 0.00 175.10 173.82 1br1 s PRO 322 N -1.80 3.47 -0.18 2.72 0.04 -1.26 -5.07 135.00 132.91 1br1 s PRO 322 Ca 0.28 -0.54 -0.03 0.00 0.04 0.00 0.00 61.00 60.76 1br1 s PRO 322 Cb -0.13 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 1br1 s PRO 322 CO 0.17 0.40 -0.07 -1.50 0.04 0.00 0.00 177.00 176.04 1br1 s ILE 323 N -1.93 3.30 0.25 0.56 2.07 -1.26 -5.09 121.20 119.09 1br1 s ILE 323 Ca 0.36 -0.54 -0.31 0.00 -1.41 0.00 0.00 60.65 58.75 1br1 s ILE 323 Cb -0.10 -2.45 -0.13 0.00 0.13 0.00 0.00 42.46 39.90 1br1 s ILE 323 CO 0.30 0.47 1.44 -0.81 -1.91 0.00 0.00 174.94 174.43 1br1 n PRO 324 N 4.23 2.15 -0.74 3.50 -0.04 -1.26 -2.33 135.00 140.51 1br1 n PRO 324 Ca -0.18 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1br1 n PRO 324 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1br1 n PRO 324 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1br1 n ALA 325 N 1.93 0.00 -3.05 0.55 0.00 -1.26 -4.94 120.51 113.74 1br1 n ALA 325 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 1br1 n ALA 325 Cb 0.32 -0.93 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 1br1 n ALA 325 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1br1 s GLN 326 N -1.07 2.23 -0.41 0.00 0.74 -0.98 -5.10 119.66 115.07 1br1 s GLN 326 Ca 0.00 -0.70 -0.05 0.00 0.05 0.00 0.00 55.36 54.66 1br1 s GLN 326 Cb 0.00 -1.83 0.10 0.00 1.10 0.00 0.00 33.01 32.38 1br1 s GLN 326 CO 0.00 0.22 0.22 -1.14 -0.55 0.00 0.00 175.29 174.03 1br1 s GLN 327 N 0.19 2.24 0.31 1.67 0.74 -1.26 -4.50 119.66 119.05 1br1 s GLN 327 Ca -0.09 -1.69 0.06 0.00 0.05 0.00 0.00 55.36 53.69 1br1 s GLN 327 Cb -0.14 -3.64 0.72 0.00 1.10 0.00 0.00 33.01 31.05 1br1 s GLN 327 CO 0.04 -1.02 1.81 -0.44 -0.55 0.00 0.00 175.29 175.13 1br1 h ASP 328 N 8.18 0.79 -0.77 6.67 3.32 -1.97 0.73 116.42 133.37 1br1 h ASP 328 Ca -0.17 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1br1 h ASP 328 Cb 1.06 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 1br1 h ASP 328 CO 0.72 0.34 -0.53 0.44 -1.72 0.00 0.00 179.24 178.48 1br1 h ASP 329 N 0.80 -1.92 -0.10 6.45 5.19 -1.92 -1.49 116.42 123.43 1br1 h ASP 329 Ca 0.54 0.28 -0.15 0.00 -0.62 0.00 0.00 57.03 57.07 1br1 h ASP 329 Cb 0.78 0.83 0.01 0.00 0.18 0.00 0.00 39.33 41.13 1br1 h ASP 329 CO -0.31 -0.26 -0.54 1.05 -3.12 0.00 0.00 179.24 176.06 1br1 h GLU 330 N -0.10 0.54 -0.71 3.56 4.11 -1.84 -3.23 114.58 116.90 1br1 h GLU 330 Ca 0.12 -0.45 0.29 0.00 0.07 0.00 0.00 59.36 59.40 1br1 h GLU 330 Cb 0.42 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 1br1 h GLU 330 CO -0.78 1.08 0.36 -1.33 0.07 0.00 0.00 179.01 178.41 1br1 n MET 331 N -4.20 -0.04 0.00 1.06 2.81 0.20 0.37 117.12 117.31 1br1 n MET 331 Ca -0.08 0.99 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 1br1 n MET 331 Cb 0.62 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1br1 n MET 331 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1br1 n PHE 332 N -4.63 0.00 -0.27 2.03 7.35 -0.67 -1.98 117.46 119.29 1br1 n PHE 332 Ca 0.26 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.99 1br1 n PHE 332 Cb 0.89 -0.44 0.13 0.00 0.35 0.00 0.00 39.48 40.41 1br1 n PHE 332 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1br1 h GLN 333 N 0.00 0.04 -0.58 -4.13 5.75 -0.28 0.83 115.11 116.73 1br1 h GLN 333 Ca 0.00 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1br1 h GLN 333 Cb 0.00 -0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.43 1br1 h GLN 333 CO 0.00 0.02 -0.34 1.49 -2.65 0.00 0.00 178.83 177.35 1br1 h GLU 334 N 0.04 -0.16 -0.14 1.69 4.81 -1.26 3.88 114.58 123.42 1br1 h GLU 334 Ca 0.41 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.47 1br1 h GLU 334 Cb 0.68 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1br1 h GLU 334 CO -0.77 -0.11 -0.65 1.79 -0.73 0.00 0.00 179.01 178.55 1br1 h THR 335 N -0.17 1.34 0.18 0.32 1.35 -0.17 0.16 112.91 115.92 1br1 h THR 335 Ca 0.23 -1.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1br1 h THR 335 Cb 0.55 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1br1 h THR 335 CO -0.67 0.60 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.00 1br1 h LEU 336 N 0.38 -0.31 -0.73 3.87 -0.00 0.29 0.80 115.31 119.62 1br1 h LEU 336 Ca -0.01 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.02 1br1 h LEU 336 Cb 1.21 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.88 1br1 h LEU 336 CO 0.12 -0.20 0.28 -0.33 -0.00 0.00 0.00 178.44 178.31 1br1 h GLU 337 N -0.31 0.42 0.66 1.13 5.08 0.75 -2.28 114.58 120.04 1br1 h GLU 337 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1br1 h GLU 337 Cb 0.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1br1 h GLU 337 CO 0.01 0.28 -0.39 0.00 -1.00 0.00 0.00 179.01 177.91 1br1 h ALA 338 N 1.52 -1.22 -0.89 3.43 0.00 -0.10 -2.11 119.26 119.89 1br1 h ALA 338 Ca 0.39 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.38 1br1 h ALA 338 Cb 0.57 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 1br1 h ALA 338 CO -0.39 -1.17 0.16 -1.33 0.00 0.00 0.00 179.25 176.52 1br1 n MET 339 N -4.88 -0.07 0.03 0.00 2.81 0.22 0.36 117.12 115.60 1br1 n MET 339 Ca -0.12 1.30 -0.13 0.00 -1.81 0.00 0.00 57.70 56.94 1br1 n MET 339 Cb 0.40 -2.15 -0.09 0.00 -0.71 0.00 0.00 33.22 30.68 1br1 n MET 339 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1br1 h THR 340 N 0.00 1.16 -0.61 2.03 1.35 -1.17 0.52 112.91 116.19 1br1 h THR 340 Ca 0.61 -0.64 0.13 0.00 -0.55 0.00 0.00 66.41 65.95 1br1 h THR 340 Cb 1.39 1.58 -0.10 0.00 -1.73 0.00 0.00 68.15 69.29 1br1 h THR 340 CO -0.79 0.16 0.00 0.40 -0.25 0.00 0.00 175.52 175.04 1br1 h ILE 341 N -0.34 0.50 0.49 6.82 1.08 0.58 -1.55 117.51 125.10 1br1 h ILE 341 Ca -0.01 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1br1 h ILE 341 Cb 0.31 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1br1 h ILE 341 CO 0.01 0.02 -0.37 0.24 -0.69 0.00 0.00 178.15 177.36 1br1 h MET 342 N 0.12 -0.82 0.00 2.37 2.86 -0.54 -3.45 114.93 115.48 1br1 h MET 342 Ca 0.32 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1br1 h MET 342 Cb 0.51 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1br1 h MET 342 CO -0.52 -0.54 0.00 0.41 1.06 0.00 0.00 176.91 177.32 1br1 n GLY 343 N -1.49 0.27 3.52 8.32 0.00 0.12 -4.96 105.19 110.96 1br1 n GLY 343 Ca -0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 1br1 n GLY 343 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1br1 n PHE 344 N 0.00 1.68 -1.32 1.61 3.72 -0.86 -4.87 117.46 117.42 1br1 n PHE 344 Ca 0.00 0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 1br1 n PHE 344 Cb 0.00 -2.62 -0.01 0.00 -0.94 0.00 0.00 39.48 35.92 1br1 n PHE 344 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1br1 n THR 345 N 7.53 0.86 -0.33 4.37 -1.04 -1.26 -4.57 114.28 119.84 1br1 n THR 345 Ca 0.37 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.81 1br1 n THR 345 Cb 0.34 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.78 1br1 n THR 345 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1br1 n GLU 346 N 1.27 -0.32 0.08 -2.82 0.00 -1.26 0.27 120.64 117.86 1br1 n GLU 346 Ca 0.12 1.21 -0.12 0.00 0.00 0.00 0.00 57.16 58.37 1br1 n GLU 346 Cb 0.38 -1.79 -0.07 0.00 0.00 0.00 0.00 31.44 29.96 1br1 n GLU 346 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1br1 h GLU 347 N 0.00 0.27 0.00 3.44 -0.00 -2.01 -3.16 114.58 113.12 1br1 h GLU 347 Ca 0.16 -0.35 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 1br1 h GLU 347 Cb 0.36 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1br1 h GLU 347 CO -0.76 1.09 0.44 -1.91 -0.00 0.00 0.00 179.01 177.86 1br1 n GLU 348 N -3.62 0.04 -0.11 1.06 2.13 0.14 -0.51 120.64 119.77 1br1 n GLU 348 Ca -0.06 0.41 -0.16 0.00 0.66 0.00 0.00 57.16 58.00 1br1 n GLU 348 Cb 0.89 -2.06 -0.05 0.00 0.27 0.00 0.00 31.44 30.49 1br1 n GLU 348 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1br1 n GLN 349 N -1.67 0.55 -0.26 5.31 6.02 -0.82 -3.88 117.38 122.63 1br1 n GLN 349 Ca -0.00 0.24 0.24 0.00 -0.01 0.00 0.00 57.00 57.46 1br1 n GLN 349 Cb 0.45 -1.46 0.45 0.00 1.02 0.00 0.00 30.24 30.70 1br1 n GLN 349 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1br1 n THR 350 N -4.39 -0.34 0.35 5.09 -2.24 0.33 0.14 114.28 113.23 1br1 n THR 350 Ca -0.28 1.65 -0.14 0.00 -2.27 0.00 0.00 64.05 63.01 1br1 n THR 350 Cb 0.65 -2.65 -0.07 0.00 -2.10 0.00 0.00 70.33 66.16 1br1 n THR 350 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1br1 h SER 351 N 0.00 -0.77 0.00 3.42 0.02 -1.58 -2.01 113.55 112.63 1br1 h SER 351 Ca 0.66 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1br1 h SER 351 Cb 1.72 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1br1 h SER 351 CO -0.64 -0.50 0.32 -0.38 -1.14 0.00 0.00 176.83 174.50 1br1 n ILE 352 N -4.76 0.75 -0.09 3.27 5.41 0.38 -0.19 119.36 124.13 1br1 n ILE 352 Ca -0.11 0.55 -0.23 0.00 1.00 0.00 0.00 62.75 63.96 1br1 n ILE 352 Cb 0.36 -1.55 -0.12 0.00 -0.71 0.00 0.00 39.64 37.62 1br1 n ILE 352 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1br1 n LEU 353 N -1.37 2.17 -0.10 1.39 4.77 -0.61 -3.95 117.00 119.30 1br1 n LEU 353 Ca -0.00 0.30 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1br1 n LEU 353 Cb 0.32 -0.96 0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1br1 n LEU 353 CO 0.01 0.54 0.93 0.08 -1.33 0.00 0.00 177.39 177.62 1br1 h ARG 354 N -0.67 0.24 0.00 3.23 0.11 0.11 0.47 114.38 117.86 1br1 h ARG 354 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1br1 h ARG 354 Cb 1.60 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.63 1br1 h ARG 354 CO -0.19 0.16 0.32 0.28 0.10 0.00 0.00 179.97 180.64 1br1 h VAL 355 N 0.25 0.00 0.00 0.08 2.07 -1.61 0.35 116.25 117.38 1br1 h VAL 355 Ca 0.16 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 1br1 h VAL 355 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1br1 h VAL 355 CO -0.18 0.00 -0.49 0.58 0.02 0.00 0.00 177.57 177.49 1br1 h VAL 356 N 0.00 0.89 -0.77 2.57 2.07 -0.21 -2.83 116.25 117.96 1br1 h VAL 356 Ca 0.00 -1.83 0.13 0.00 0.82 0.00 0.00 66.70 65.83 1br1 h VAL 356 Cb 0.65 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 32.17 1br1 h VAL 356 CO 0.00 0.30 0.35 0.77 0.02 0.00 0.00 177.57 179.02 1br1 h SER 357 N -1.00 0.40 0.15 0.57 4.64 -0.27 -0.20 113.55 117.84 1br1 h SER 357 Ca -0.11 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1br1 h SER 357 Cb 0.84 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 1br1 h SER 357 CO -0.07 0.18 -0.47 0.77 -0.87 0.00 0.00 176.83 176.37 1br1 h SER 358 N 0.54 -1.38 0.00 4.97 4.64 -0.54 0.45 113.55 122.22 1br1 h SER 358 Ca 0.41 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1br1 h SER 358 Cb 0.57 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1br1 h SER 358 CO -0.36 -0.53 0.09 0.52 -0.87 0.00 0.00 176.83 175.68 1br1 n VAL 359 N -5.48 0.90 -0.08 0.95 0.31 -0.14 -1.65 118.33 113.14 1br1 n VAL 359 Ca -0.08 0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.42 1br1 n VAL 359 Cb 0.40 -1.31 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 1br1 n VAL 359 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1br1 n LEU 360 N -1.17 2.35 -0.09 7.52 4.77 0.12 -4.62 117.00 125.88 1br1 n LEU 360 Ca 0.00 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1br1 n LEU 360 Cb 0.09 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1br1 n LEU 360 CO 0.00 0.63 0.96 -0.61 -1.33 0.00 0.00 177.39 177.04 1br1 h GLN 361 N -0.23 0.31 0.00 3.23 5.75 0.47 -0.22 115.11 124.43 1br1 h GLN 361 Ca -0.39 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1br1 h GLN 361 Cb 1.50 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.98 1br1 h GLN 361 CO -0.13 0.21 0.11 -0.11 -2.65 0.00 0.00 178.83 176.26 1br1 n LEU 362 N -4.96 0.00 0.01 -2.39 0.00 -0.83 0.18 117.00 109.01 1br1 n LEU 362 Ca -0.00 0.11 0.03 0.00 0.00 0.00 0.00 56.01 56.15 1br1 n LEU 362 Cb 0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 43.42 43.29 1br1 n LEU 362 CO 0.30 -0.11 -0.53 0.61 0.00 0.00 0.00 177.39 177.67 1br1 n GLY 363 N -0.96 -1.15 0.23 -3.96 0.00 -0.09 -4.24 105.19 95.02 1br1 n GLY 363 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1br1 n GLY 363 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1br1 h ASN 364 N 0.00 0.95 -0.91 1.61 2.35 0.18 -3.43 115.58 116.34 1br1 h ASN 364 Ca -0.16 -0.57 -0.76 0.00 -0.55 0.00 0.00 56.30 54.26 1br1 h ASN 364 Cb 1.44 -0.28 0.03 0.00 0.05 0.00 0.00 38.32 39.56 1br1 h ASN 364 CO 0.02 1.37 0.37 -0.38 -1.65 0.00 0.00 177.43 177.16 1br1 n ILE 365 N -3.96 0.00 -4.30 2.81 5.41 -1.21 -4.94 119.36 113.17 1br1 n ILE 365 Ca -0.06 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.45 1br1 n ILE 365 Cb 0.70 -0.25 -0.08 0.00 -0.71 0.00 0.00 39.64 39.30 1br1 n ILE 365 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1br1 s VAL 366 N 1.50 3.40 -0.37 1.39 1.01 -1.26 -5.08 120.40 120.99 1br1 s VAL 366 Ca 0.89 -1.88 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1br1 s VAL 366 Cb -1.26 -2.79 0.16 0.00 0.00 0.00 0.00 36.38 32.48 1br1 s VAL 366 CO 0.64 -0.33 0.38 -0.36 0.00 0.00 0.00 175.10 175.43 1br1 s PHE 367 N -2.23 -0.34 -0.06 5.22 0.08 -1.26 -4.55 117.98 114.85 1br1 s PHE 367 Ca 0.30 -0.79 -0.24 0.00 0.12 0.00 0.00 56.93 56.33 1br1 s PHE 367 Cb -0.07 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 1br1 s PHE 367 CO 0.19 -0.98 0.71 0.21 -0.10 0.00 0.00 175.22 175.25 1br1 s LYS 368 N 1.44 4.44 0.93 0.44 2.20 -1.25 -4.79 119.74 123.17 1br1 s LYS 368 Ca 0.17 0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 1br1 s LYS 368 Cb -0.15 -3.44 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 1br1 s LYS 368 CO -0.04 0.08 -0.27 1.17 -0.36 0.00 0.00 175.35 175.93 1br1 n LYS 369 N 3.71 -0.07 -3.71 4.03 3.00 -1.26 -2.91 118.16 120.94 1br1 n LYS 369 Ca -0.01 -0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.00 1br1 n LYS 369 Cb 0.51 -1.34 -0.15 0.00 0.00 0.00 0.00 35.03 34.05 1br1 n LYS 369 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1br1 s GLU 370 N -2.53 0.73 0.00 1.64 -6.30 -1.26 -4.72 118.70 106.25 1br1 s GLU 370 Ca 0.48 -1.15 0.07 0.00 -2.50 0.00 0.00 54.97 51.87 1br1 s GLU 370 Cb -0.22 -1.95 0.40 0.00 0.00 0.00 0.00 34.13 32.36 1br1 s GLU 370 CO 0.75 -1.02 0.86 0.54 0.02 0.00 0.00 175.26 176.42 1br1 n ARG 371 N 4.71 0.21 -0.08 4.30 1.74 -1.26 0.38 116.66 126.66 1br1 n ARG 371 Ca -0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.00 1br1 n ARG 371 Cb 0.41 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1br1 n ARG 371 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1br1 n ASN 372 N -1.00 1.84 -0.10 0.55 3.02 -1.26 -4.70 115.26 113.61 1br1 n ASN 372 Ca 0.05 0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 55.04 1br1 n ASN 372 Cb 0.02 -0.85 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 1br1 n ASN 372 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1br1 n THR 373 N -4.56 1.41 -1.74 3.41 -2.24 -1.09 -5.01 114.28 104.45 1br1 n THR 373 Ca -0.11 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1br1 n THR 373 Cb 0.36 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1br1 n THR 373 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1br1 n ASP 374 N -2.82 -1.27 -3.64 3.42 8.00 1.23 -5.02 116.55 116.46 1br1 n ASP 374 Ca -0.34 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.87 1br1 n ASP 374 Cb 1.14 -0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 1br1 n ASP 374 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1br1 s GLN 375 N -3.51 1.30 0.33 -1.24 1.11 -1.25 -4.61 119.66 111.78 1br1 s GLN 375 Ca 0.00 -2.17 -0.13 0.00 0.01 0.00 0.00 55.36 53.07 1br1 s GLN 375 Cb 0.00 -2.17 -0.10 0.00 -1.01 0.00 0.00 33.01 29.73 1br1 s GLN 375 CO 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 175.29 174.01 1br1 n ALA 376 N 3.18 -2.55 -3.62 6.09 0.00 -1.26 -4.67 120.51 117.68 1br1 n ALA 376 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1br1 n ALA 376 Cb 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1br1 n ALA 376 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1br1 n SER 377 N 1.69 1.55 -4.03 0.00 2.88 -1.15 -4.70 113.62 109.87 1br1 n SER 377 Ca 0.06 -0.80 -0.41 0.00 -1.33 0.00 0.00 58.87 56.39 1br1 n SER 377 Cb 0.31 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1br1 n SER 377 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1br1 n MET 378 N 0.00 3.81 0.22 -1.46 1.56 -1.26 -3.74 117.12 116.24 1br1 n MET 378 Ca 0.00 -4.54 0.15 0.00 -0.27 0.00 0.00 57.70 53.04 1br1 n MET 378 Cb 0.00 -2.48 0.79 0.00 2.15 0.00 0.00 33.22 33.68 1br1 n MET 378 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1br1 h PRO 379 N 5.63 0.00 -4.07 2.12 0.11 -1.96 -3.41 132.00 130.43 1br1 h PRO 379 Ca 0.19 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.88 1br1 h PRO 379 Cb 0.70 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.47 1br1 h PRO 379 CO 1.14 0.00 -0.78 0.34 -0.21 0.00 0.00 178.00 178.50 1br1 s ASP 380 N -4.46 1.04 -0.09 -2.05 2.15 -1.26 -5.06 116.67 106.92 1br1 s ASP 380 Ca -0.03 -0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.77 1br1 s ASP 380 Cb 0.09 -0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 42.19 1br1 s ASP 380 CO 0.29 -0.05 0.15 0.78 -0.17 0.00 0.00 175.17 176.17 1br1 h ASN 381 N 7.18 -0.06 -0.06 -0.34 2.35 -2.02 -3.38 115.58 119.25 1br1 h ASN 381 Ca -0.37 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 1br1 h ASN 381 Cb 1.16 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 1br1 h ASN 381 CO 0.47 0.47 -0.03 0.35 -1.65 0.00 0.00 177.43 177.04 1br1 n THR 382 N -4.81 -0.04 0.00 2.81 -2.24 -1.26 0.49 114.28 109.23 1br1 n THR 382 Ca -0.02 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1br1 n THR 382 Cb 0.06 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1br1 n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1br1 n ALA 383 N -3.96 0.00 0.22 6.98 0.00 -1.26 -0.03 120.51 122.47 1br1 n ALA 383 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1br1 n ALA 383 Cb 0.02 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.31 1br1 n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1br1 h ALA 384 N -2.92 1.68 0.07 0.00 0.00 -1.72 0.18 119.26 116.55 1br1 h ALA 384 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1br1 h ALA 384 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1br1 h ALA 384 CO 0.00 -0.38 -0.38 0.37 0.00 0.00 0.00 179.25 178.85 1br1 h GLN 385 N 0.00 -0.56 0.43 0.00 4.15 0.75 0.96 115.11 120.83 1br1 h GLN 385 Ca 0.08 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1br1 h GLN 385 Cb 0.67 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1br1 h GLN 385 CO -0.00 -0.37 -0.21 0.87 -1.93 0.00 0.00 178.83 177.19 1br1 h LYS 386 N -0.58 -0.56 -0.73 1.69 1.57 0.16 -3.23 116.57 114.89 1br1 h LYS 386 Ca 0.04 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1br1 h LYS 386 Cb 0.64 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.94 1br1 h LYS 386 CO -0.26 -0.37 -0.21 0.28 -0.57 0.00 0.00 179.45 178.32 1br1 n VAL 387 N -3.71 -0.33 0.29 0.50 0.31 -0.89 0.19 118.33 114.68 1br1 n VAL 387 Ca -0.07 1.69 0.16 0.00 -0.01 0.00 0.00 64.34 66.12 1br1 n VAL 387 Cb 0.23 -2.31 0.79 0.00 -0.91 0.00 0.00 33.84 31.64 1br1 n VAL 387 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1br1 h HIS 389 N 0.00 0.32 0.00 0.00 6.17 0.21 -2.48 115.15 119.36 1br1 h HIS 389 Ca 0.00 -0.20 -0.03 0.00 0.71 0.00 0.00 60.37 60.85 1br1 h HIS 389 Cb 0.19 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.09 1br1 h HIS 389 CO 0.00 1.06 -0.17 -0.07 0.71 0.00 0.00 177.93 179.46 1br1 h LEU 390 N -0.51 0.00 -0.03 0.26 3.38 -1.18 -2.13 115.31 115.10 1br1 h LEU 390 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1br1 h LEU 390 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1br1 h LEU 390 CO 0.07 0.17 -0.08 0.23 0.09 0.00 0.00 178.44 178.92 1br1 n MET 391 N -3.87 0.20 -1.38 1.13 2.81 -0.81 -4.87 117.12 110.33 1br1 n MET 391 Ca -0.02 -0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.71 1br1 n MET 391 Cb 0.26 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 1br1 n MET 391 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1br1 n GLY 392 N 1.42 1.38 0.00 3.03 0.00 -0.80 -4.45 105.19 105.77 1br1 n GLY 392 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1br1 n GLY 392 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1br1 n ILE 393 N -2.61 0.00 -4.31 -0.61 -5.35 -0.94 0.01 119.36 105.56 1br1 n ILE 393 Ca -0.13 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.16 1br1 n ILE 393 Cb 0.44 -0.33 -0.13 0.00 -1.74 0.00 0.00 39.64 37.87 1br1 n ILE 393 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1br1 s ASN 394 N -0.03 1.54 0.00 7.28 3.84 -1.26 -4.69 114.94 121.61 1br1 s ASN 394 Ca 0.00 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.61 1br1 s ASN 394 Cb 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.61 1br1 s ASN 394 CO 0.00 0.01 0.00 1.33 -2.79 0.00 0.00 177.10 175.65 1br1 n VAL 395 N 1.88 0.00 -0.10 -5.21 0.24 -1.26 -0.97 118.33 112.91 1br1 n VAL 395 Ca -0.18 0.39 -0.02 0.00 -2.04 0.00 0.00 64.34 62.49 1br1 n VAL 395 Cb 0.55 -1.27 -0.01 0.00 -1.47 0.00 0.00 33.84 31.64 1br1 n VAL 395 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1br1 n THR 396 N 0.00 -0.15 0.10 3.34 -2.24 -1.26 0.16 114.28 114.22 1br1 n THR 396 Ca 0.00 0.59 -0.06 0.00 -2.27 0.00 0.00 64.05 62.31 1br1 n THR 396 Cb 0.00 -0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 1br1 n THR 396 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1br1 h ASP 397 N 0.00 -0.45 -0.86 3.42 5.19 -2.00 -0.35 116.42 121.36 1br1 h ASP 397 Ca 0.06 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.59 1br1 h ASP 397 Cb 0.12 0.15 -0.10 0.00 0.18 0.00 0.00 39.33 39.68 1br1 h ASP 397 CO -0.24 -0.22 -0.51 0.33 -3.12 0.00 0.00 179.24 175.48 1br1 n PHE 398 N -3.31 -0.38 -0.16 4.55 7.35 0.41 -1.10 117.46 124.81 1br1 n PHE 398 Ca -0.04 1.08 -0.10 0.00 -0.76 0.00 0.00 57.45 57.63 1br1 n PHE 398 Cb 0.15 -0.57 -0.07 0.00 0.35 0.00 0.00 39.48 39.34 1br1 n PHE 398 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1br1 h THR 399 N 0.00 0.00 -0.03 -2.13 2.02 0.06 1.06 112.91 113.88 1br1 h THR 399 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1br1 h THR 399 Cb 0.35 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1br1 h THR 399 CO -0.81 0.00 -0.30 -0.09 0.37 0.00 0.00 175.52 174.69 1br1 h ARG 400 N -0.21 -0.34 -0.95 6.66 2.43 0.14 0.58 114.38 122.70 1br1 h ARG 400 Ca 0.07 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.56 1br1 h ARG 400 Cb 0.40 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 29.87 1br1 h ARG 400 CO -0.52 -0.23 0.33 0.77 -1.51 0.00 0.00 179.97 178.82 1br1 h SER 401 N -0.35 0.10 0.62 -3.80 0.02 -0.33 2.84 113.55 112.65 1br1 h SER 401 Ca 0.01 0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1br1 h SER 401 Cb 0.39 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1br1 h SER 401 CO -0.22 -0.23 -0.63 0.40 -1.14 0.00 0.00 176.83 175.02 1br1 h ILE 402 N 0.17 1.45 0.00 3.27 5.03 0.27 -3.35 117.51 124.36 1br1 h ILE 402 Ca 0.65 -2.15 -0.34 0.00 -0.12 0.00 0.00 64.86 62.90 1br1 h ILE 402 Cb 1.44 2.16 -0.05 0.00 -3.03 0.00 0.00 36.82 37.34 1br1 h ILE 402 CO -0.70 0.62 -2.11 0.18 -0.68 0.00 0.00 178.15 175.45 1br1 n LEU 403 N -3.79 1.81 -4.13 1.44 4.77 0.19 -4.70 117.00 112.60 1br1 n LEU 403 Ca -0.01 0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.91 1br1 n LEU 403 Cb 0.62 -0.74 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1br1 n LEU 403 CO 0.42 0.35 -0.01 0.42 -1.33 0.00 0.00 177.39 177.24 1br1 s THR 404 N -2.55 3.72 -0.54 -5.08 -4.23 0.90 -2.54 115.64 105.33 1br1 s THR 404 Ca -0.34 -2.53 -0.27 0.00 -1.18 0.00 0.00 61.69 57.38 1br1 s THR 404 Cb 0.12 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1br1 s THR 404 CO 0.44 -0.82 2.02 -2.16 -0.54 0.00 0.00 174.62 173.56 1br1 s PRO 405 N 0.48 2.56 0.00 3.99 0.04 -0.00 -3.89 135.00 138.18 1br1 s PRO 405 Ca 0.13 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1br1 s PRO 405 Cb -0.21 -4.42 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 1br1 s PRO 405 CO -0.04 -2.78 1.61 0.54 0.04 0.00 0.00 177.00 176.37 1br1 n ARG 406 N 9.05 0.81 -0.25 4.56 5.12 -1.26 -2.21 116.66 132.49 1br1 n ARG 406 Ca 0.25 -0.18 -0.20 0.00 -1.93 0.00 0.00 57.85 55.80 1br1 n ARG 406 Cb 0.52 -1.36 0.19 0.00 -1.16 0.00 0.00 32.46 30.66 1br1 n ARG 406 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1br1 n ILE 407 N 1.96 0.00 -2.98 0.55 -6.64 -1.24 -4.85 119.36 106.16 1br1 n ILE 407 Ca 0.08 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.92 1br1 n ILE 407 Cb 0.39 -0.64 -0.02 0.00 -1.44 0.00 0.00 39.64 37.93 1br1 n ILE 407 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1br1 n LYS 408 N -3.71 0.52 -2.22 6.28 4.81 -1.26 -3.47 118.16 119.10 1br1 n LYS 408 Ca 0.09 -2.43 -0.36 0.00 -0.87 0.00 0.00 58.31 54.74 1br1 n LYS 408 Cb 0.39 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1br1 n LYS 408 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1br1 s VAL 409 N 0.35 3.05 0.00 3.15 1.01 -0.33 -4.77 120.40 122.86 1br1 s VAL 409 Ca 0.32 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1br1 s VAL 409 Cb 0.08 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1br1 s VAL 409 CO -0.14 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1br1 n GLY 410 N 0.31 0.93 1.80 4.51 0.00 -1.26 -0.08 105.19 111.40 1br1 n GLY 410 Ca 0.10 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1br1 n GLY 410 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1br1 n ARG 411 N 5.49 1.79 -3.79 1.61 1.85 -1.26 -4.87 116.66 117.47 1br1 n ARG 411 Ca 0.00 -1.71 -0.13 0.00 -1.00 0.00 0.00 57.85 55.02 1br1 n ARG 411 Cb 0.00 -1.67 -0.11 0.00 -1.05 0.00 0.00 32.46 29.63 1br1 n ARG 411 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1br1 s ASP 412 N -0.17 -0.22 -0.77 2.89 -4.77 0.88 -5.03 116.67 109.47 1br1 s ASP 412 Ca 0.33 0.37 -0.05 0.00 -3.30 0.00 0.00 52.55 49.90 1br1 s ASP 412 Cb 0.27 0.46 0.01 0.00 -1.09 0.00 0.00 42.92 42.56 1br1 s ASP 412 CO 0.03 -0.17 2.82 0.52 0.70 0.00 0.00 175.17 179.07 1br1 n VAL 413 N 2.55 3.97 -1.48 2.11 0.31 -1.26 -1.19 118.33 123.34 1br1 n VAL 413 Ca -0.15 -3.11 -0.16 0.00 -0.01 0.00 0.00 64.34 60.90 1br1 n VAL 413 Cb 0.58 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.45 1br1 n VAL 413 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1br1 n VAL 414 N 1.70 0.00 -2.83 2.52 0.31 -1.23 -4.77 118.33 114.03 1br1 n VAL 414 Ca 0.55 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1br1 n VAL 414 Cb 0.48 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 1br1 n VAL 414 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1br1 s GLN 415 N 7.66 4.37 0.27 5.55 2.00 -1.26 -3.70 119.66 134.55 1br1 s GLN 415 Ca 1.01 1.15 -0.05 0.00 -2.00 0.00 0.00 55.36 55.47 1br1 s GLN 415 Cb -0.44 -3.55 -0.01 0.00 0.80 0.00 0.00 33.01 29.81 1br1 s GLN 415 CO 0.30 -0.27 0.37 -1.59 -0.50 0.00 0.00 175.29 173.61 1br1 s LYS 416 N 1.92 1.60 -0.07 1.67 -2.85 -0.94 -5.00 119.74 116.07 1br1 s LYS 416 Ca 0.42 -1.58 0.01 0.00 -1.00 0.00 0.00 55.97 53.82 1br1 s LYS 416 Cb -0.17 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1br1 s LYS 416 CO 0.15 -0.63 -0.06 0.00 0.10 0.00 0.00 175.35 174.91 1br1 s ALA 417 N -3.68 0.96 0.98 0.59 0.00 -1.26 -0.82 121.76 118.53 1br1 s ALA 417 Ca 0.31 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 1br1 s ALA 417 Cb 0.02 -0.62 0.19 0.00 0.00 0.00 0.00 23.12 22.71 1br1 s ALA 417 CO 0.15 -0.14 1.22 -0.65 0.00 0.00 0.00 175.76 176.34 1br1 s GLN 418 N 1.20 0.51 -0.02 0.00 -0.21 -1.05 -4.99 119.66 115.10 1br1 s GLN 418 Ca -0.06 -0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 1br1 s GLN 418 Cb -0.14 -1.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 1br1 s GLN 418 CO -0.02 -2.54 0.10 0.95 -2.12 0.00 0.00 175.29 171.66 1br1 s THR 419 N -3.55 4.90 0.00 -0.19 -4.23 -1.26 -4.65 115.64 106.66 1br1 s THR 419 Ca 0.70 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1br1 s THR 419 Cb -0.08 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1br1 s THR 419 CO 0.53 0.39 0.00 1.17 -0.54 0.00 0.00 174.62 176.17 1br1 n LYS 420 N 1.27 0.00 0.00 3.99 0.00 -1.26 0.18 118.16 122.33 1br1 n LYS 420 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.16 1br1 n LYS 420 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.55 1br1 n LYS 420 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1br1 h GLU 421 N 0.00 -0.06 -1.21 1.64 3.07 -1.94 -0.89 114.58 115.19 1br1 h GLU 421 Ca 0.00 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.21 1br1 h GLU 421 Cb 0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.84 1br1 h GLU 421 CO 0.00 -0.04 0.82 1.96 -1.40 0.00 0.00 179.01 180.36 1br1 h GLN 422 N -0.06 0.15 0.00 2.33 4.20 0.15 1.53 115.11 123.41 1br1 h GLN 422 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1br1 h GLN 422 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1br1 h GLN 422 CO -0.04 0.10 -0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1br1 h ALA 423 N 1.49 1.49 0.00 3.87 0.00 0.28 -2.74 119.26 123.65 1br1 h ALA 423 Ca 0.65 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.20 1br1 h ALA 423 Cb 2.15 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 1br1 h ALA 423 CO -0.19 0.00 -2.21 -0.25 0.00 0.00 0.00 179.25 176.60 1br1 n ASP 424 N -3.79 1.70 0.31 0.00 9.92 0.50 -3.49 116.55 121.71 1br1 n ASP 424 Ca -0.03 0.20 0.08 0.00 -0.53 0.00 0.00 54.79 54.51 1br1 n ASP 424 Cb 0.08 -0.58 0.39 0.00 -0.64 0.00 0.00 41.12 40.37 1br1 n ASP 424 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1br1 h PHE 425 N -0.64 0.00 0.00 1.24 3.04 -0.81 1.51 116.94 121.28 1br1 h PHE 425 Ca -0.54 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1br1 h PHE 425 Cb 1.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1br1 h PHE 425 CO -0.05 0.00 -0.47 0.00 -2.02 0.00 0.00 178.31 175.77 1br1 n ALA 426 N -1.71 0.41 0.26 2.41 0.00 -1.04 -2.21 120.51 118.63 1br1 n ALA 426 Ca -0.00 -0.42 0.16 0.00 0.00 0.00 0.00 53.44 53.17 1br1 n ALA 426 Cb 0.73 0.01 0.74 0.00 0.00 0.00 0.00 19.45 20.93 1br1 n ALA 426 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1br1 h ILE 427 N -0.74 0.10 0.00 0.00 6.09 -0.93 0.33 117.51 122.35 1br1 h ILE 427 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1br1 h ILE 427 Cb 0.47 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.36 1br1 h ILE 427 CO 0.00 0.00 -0.06 -0.08 -3.07 0.00 0.00 178.15 174.94 1br1 h GLU 428 N 0.00 0.00 0.00 2.19 4.22 0.19 -3.19 114.58 117.99 1br1 h GLU 428 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1br1 h GLU 428 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1br1 h GLU 428 CO -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 1br1 n ALA 429 N -2.38 1.63 -0.08 2.92 0.00 -0.88 -0.91 120.51 120.81 1br1 n ALA 429 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1br1 n ALA 429 Cb 0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1br1 n ALA 429 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1br1 n LEU 430 N -0.58 1.77 -0.06 0.00 7.94 0.11 -3.72 117.00 122.47 1br1 n LEU 430 Ca 0.00 0.36 -0.07 0.00 -1.11 0.00 0.00 56.01 55.19 1br1 n LEU 430 Cb 0.00 -0.74 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 1br1 n LEU 430 CO 0.00 -0.32 0.81 0.00 -1.11 0.00 0.00 177.39 176.78 1br1 h ALA 431 N -1.08 0.16 -1.04 1.96 0.00 -1.32 0.44 119.26 118.38 1br1 h ALA 431 Ca 0.00 0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.33 1br1 h ALA 431 Cb 0.85 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1br1 h ALA 431 CO 0.00 -0.48 0.62 -0.22 0.00 0.00 0.00 179.25 179.17 1br1 h LYS 432 N -0.01 0.33 0.00 0.00 3.64 -1.24 0.47 116.57 119.76 1br1 h LYS 432 Ca 0.12 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1br1 h LYS 432 Cb 0.19 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1br1 h LYS 432 CO -0.26 0.22 -1.29 0.00 -2.27 0.00 0.00 179.45 175.85 1br1 n ALA 433 N -2.34 2.44 0.23 5.00 0.00 -0.40 -3.47 120.51 121.96 1br1 n ALA 433 Ca 0.31 -0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1br1 n ALA 433 Cb 0.99 -1.00 0.53 0.00 0.00 0.00 0.00 19.45 19.98 1br1 n ALA 433 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1br1 h LYS 434 N 0.00 0.00 0.44 0.00 3.64 0.44 -2.36 116.57 118.72 1br1 h LYS 434 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1br1 h LYS 434 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1br1 h LYS 434 CO 0.01 0.23 -0.21 0.35 -2.27 0.00 0.00 179.45 177.56 1br1 h PHE 435 N 0.00 -0.54 -1.20 1.91 3.57 -0.94 -3.14 116.94 116.59 1br1 h PHE 435 Ca -0.00 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.83 1br1 h PHE 435 Cb 0.51 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1br1 h PHE 435 CO 0.00 -0.34 0.80 1.49 -2.23 0.00 0.00 178.31 178.04 1br1 h GLU 436 N -0.86 0.19 0.00 1.11 4.81 -1.58 3.28 114.58 121.52 1br1 h GLU 436 Ca -0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1br1 h GLU 436 Cb 0.45 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1br1 h GLU 436 CO 0.10 0.12 -0.03 0.00 -0.73 0.00 0.00 179.01 178.48 1br1 h ARG 437 N 0.19 0.00 0.00 1.92 2.47 -1.38 -2.06 114.38 115.52 1br1 h ARG 437 Ca 0.67 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.35 1br1 h ARG 437 Cb 2.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.42 1br1 h ARG 437 CO -0.25 0.03 -0.29 1.25 0.56 0.00 0.00 179.97 181.27 1br1 h LEU 438 N 0.00 0.00 -0.20 3.04 5.85 0.61 -3.15 115.31 121.46 1br1 h LEU 438 Ca -0.00 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1br1 h LEU 438 Cb 0.17 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1br1 h LEU 438 CO 0.00 0.85 -0.29 0.15 -0.34 0.00 0.00 178.44 178.81 1br1 h PHE 439 N -1.00 -0.90 -0.89 1.25 3.57 -1.19 0.63 116.94 118.41 1br1 h PHE 439 Ca -0.05 0.04 0.26 0.00 3.53 0.00 0.00 57.97 61.74 1br1 h PHE 439 Cb 0.60 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1br1 h PHE 439 CO 0.06 -0.26 0.79 0.00 -2.23 0.00 0.00 178.31 176.67 1br1 h ARG 440 N -0.22 0.00 0.18 1.11 2.47 -1.57 0.06 114.38 116.41 1br1 h ARG 440 Ca 0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1br1 h ARG 440 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1br1 h ARG 440 CO -0.30 0.00 -0.09 2.35 0.56 0.00 0.00 179.97 182.49 1br1 h TRP 441 N 0.00 -0.22 -0.15 3.04 7.01 0.19 -3.18 115.95 122.63 1br1 h TRP 441 Ca 0.42 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.46 1br1 h TRP 441 Cb 2.00 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 29.07 1br1 h TRP 441 CO 0.00 0.10 -0.32 0.82 -2.79 0.00 0.00 178.44 176.25 1br1 h ILE 442 N -0.98 0.28 -1.16 2.65 1.08 0.41 -0.40 117.51 119.39 1br1 h ILE 442 Ca -0.02 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.78 1br1 h ILE 442 Cb 0.42 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 1br1 h ILE 442 CO 0.04 0.00 1.02 0.25 -0.69 0.00 0.00 178.15 178.77 1br1 h LEU 443 N -0.38 0.00 -0.22 1.44 6.46 -1.15 2.69 115.31 124.14 1br1 h LEU 443 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1br1 h LEU 443 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1br1 h LEU 443 CO -0.37 0.00 -0.76 0.35 -0.62 0.00 0.00 178.44 177.04 1br1 n THR 444 N -3.73 0.00 0.04 1.05 -2.24 -0.23 -2.00 114.28 107.17 1br1 n THR 444 Ca 0.25 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.75 1br1 n THR 444 Cb 1.39 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 70.34 1br1 n THR 444 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1br1 h ARG 445 N 0.54 0.33 0.64 -0.78 2.47 0.52 -2.95 114.38 115.16 1br1 h ARG 445 Ca 0.00 -0.56 -0.03 0.00 -1.26 0.00 0.00 59.98 58.12 1br1 h ARG 445 Cb 0.55 0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1br1 h ARG 445 CO 0.00 1.27 -0.31 0.28 0.56 0.00 0.00 179.97 181.77 1br1 h VAL 446 N -0.01 0.22 0.00 2.04 2.07 -0.35 -2.58 116.25 117.64 1br1 h VAL 446 Ca -0.35 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1br1 h VAL 446 Cb 2.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1br1 h VAL 446 CO 0.13 0.03 0.02 0.59 0.02 0.00 0.00 177.57 178.35 1br1 n ASN 447 N -5.38 0.00 0.10 0.57 3.02 -0.84 -0.91 115.26 111.81 1br1 n ASN 447 Ca -0.12 0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.70 1br1 n ASN 447 Cb 0.36 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1br1 n ASN 447 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1br1 h LYS 448 N 0.00 0.00 0.01 3.52 1.63 -1.27 -3.29 116.57 117.17 1br1 h LYS 448 Ca 0.00 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.39 1br1 h LYS 448 Cb 0.04 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 1br1 h LYS 448 CO 0.00 0.24 -2.38 0.00 -3.45 0.00 0.00 179.45 173.86 1br1 n ALA 449 N -2.27 1.24 0.00 5.00 0.00 -0.09 -4.12 120.51 120.28 1br1 n ALA 449 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1br1 n ALA 449 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1br1 n ALA 449 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1br1 n LEU 450 N -3.78 0.00 -3.93 0.00 4.77 -1.01 -4.92 117.00 108.13 1br1 n LEU 450 Ca -0.48 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1br1 n LEU 450 Cb 0.93 -0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 1br1 n LEU 450 CO 0.17 -0.28 -0.36 -0.62 -1.33 0.00 0.00 177.39 174.97 1br1 s ASP 451 N -2.56 0.16 0.21 -1.43 -1.08 -1.24 0.24 116.67 110.96 1br1 s ASP 451 Ca 0.00 -0.27 0.11 0.00 -0.52 0.00 0.00 52.55 51.87 1br1 s ASP 451 Cb 0.00 0.05 0.59 0.00 -1.46 0.00 0.00 42.92 42.10 1br1 s ASP 451 CO 0.00 -0.15 1.25 0.00 0.52 0.00 0.00 175.17 176.79 1br1 n ALA 458 N 2.30 0.80 -2.55 3.66 0.00 -1.18 -4.96 120.51 118.57 1br1 n ALA 458 Ca -0.18 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1br1 n ALA 458 Cb 0.57 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1br1 n ALA 458 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1br1 s SER 459 N -3.36 1.08 -0.01 0.00 1.04 -0.86 -4.96 113.70 106.63 1br1 s SER 459 Ca -0.01 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.64 1br1 s SER 459 Cb 0.03 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1br1 s SER 459 CO 0.10 -0.30 0.06 0.72 0.98 0.00 0.00 173.24 174.79 1br1 s PHE 460 N -2.34 0.02 -0.10 5.02 -0.12 -1.26 0.43 117.98 119.64 1br1 s PHE 460 Ca 0.00 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1br1 s PHE 460 Cb -0.03 -0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1br1 s PHE 460 CO -0.01 -0.11 -0.10 -1.17 -0.05 0.00 0.00 175.22 173.78 1br1 s LEU 461 N -0.54 2.94 -0.18 -1.99 2.96 0.11 -3.07 118.68 118.91 1br1 s LEU 461 Ca -0.06 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1br1 s LEU 461 Cb -0.04 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1br1 s LEU 461 CO 0.00 0.25 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.40 1br1 s GLY 462 N -0.16 1.64 -0.22 7.98 0.00 0.38 -1.33 107.32 115.61 1br1 s GLY 462 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 1br1 s GLY 462 CO 0.03 0.13 -0.13 -0.42 0.00 0.00 0.00 173.10 172.71 1br1 s ILE 463 N 0.85 2.48 -0.27 0.90 1.01 -0.66 0.20 121.20 125.71 1br1 s ILE 463 Ca -0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 1br1 s ILE 463 Cb -0.15 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1br1 s ILE 463 CO 0.01 0.35 0.06 -0.22 0.00 0.00 0.00 174.94 175.15 1br1 s LEU 464 N 1.30 3.59 -0.66 2.97 2.96 -0.45 -1.54 118.68 126.85 1br1 s LEU 464 Ca 0.02 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1br1 s LEU 464 Cb -0.15 -1.88 0.17 0.00 0.50 0.00 0.00 46.19 44.83 1br1 s LEU 464 CO -0.08 -0.12 0.47 -0.62 -1.32 0.00 0.00 176.35 174.68 1br1 s ASP 465 N 1.54 5.15 0.52 3.68 2.15 0.12 -2.73 116.67 127.09 1br1 s ASP 465 Ca 0.04 -3.12 -0.02 0.00 0.43 0.00 0.00 52.55 49.88 1br1 s ASP 465 Cb -0.16 -1.81 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1br1 s ASP 465 CO 0.02 -0.29 0.78 0.27 -0.17 0.00 0.00 175.17 175.78 1br1 s ILE 466 N -0.45 3.74 0.23 4.11 -5.25 -1.26 0.88 121.20 123.20 1br1 s ILE 466 Ca 0.19 -0.30 -0.30 0.00 -0.99 0.00 0.00 60.65 59.26 1br1 s ILE 466 Cb -0.18 -3.43 -0.09 0.00 2.95 0.00 0.00 42.46 41.71 1br1 s ILE 466 CO -0.05 -0.36 0.97 0.00 -1.79 0.00 0.00 174.94 173.71 1br1 s ALA 467 N -2.76 3.34 0.38 2.27 0.00 -1.26 -4.86 121.76 118.87 1br1 s ALA 467 Ca 0.51 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 1br1 s ALA 467 Cb -0.10 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1br1 s ALA 467 CO 0.41 0.12 0.84 0.20 0.00 0.00 0.00 175.76 177.33 1br1 s GLY 468 N -1.00 2.35 -0.44 0.00 0.00 -1.26 -4.76 107.32 102.22 1br1 s GLY 468 Ca 0.42 0.22 -0.41 0.00 0.00 0.00 0.00 44.72 44.95 1br1 s GLY 468 CO 0.33 0.46 1.49 0.33 0.00 0.00 0.00 173.10 175.72 1br1 n PHE 469 N -0.52 1.45 -4.13 1.90 -0.00 -1.26 -4.15 117.46 110.74 1br1 n PHE 469 Ca 0.05 0.95 -0.16 0.00 -0.00 0.00 0.00 57.45 58.29 1br1 n PHE 469 Cb 0.54 -1.97 -0.15 0.00 -0.00 0.00 0.00 39.48 37.90 1br1 n PHE 469 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1br1 s GLU 470 N 3.13 0.46 -0.34 -4.13 -1.05 -1.26 -1.75 118.70 113.75 1br1 s GLU 470 Ca 0.95 -0.14 0.03 0.00 -0.15 0.00 0.00 54.97 55.65 1br1 s GLU 470 Cb -1.32 -0.47 0.16 0.00 -0.44 0.00 0.00 34.13 32.06 1br1 s GLU 470 CO 0.69 0.06 0.42 0.96 0.95 0.00 0.00 175.26 178.34 1br1 s ILE 471 N 0.14 -0.54 0.00 1.83 -4.36 -1.26 -4.81 121.20 112.20 1br1 s ILE 471 Ca -0.01 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.81 1br1 s ILE 471 Cb -0.05 -0.71 0.00 0.00 1.25 0.00 0.00 42.46 42.95 1br1 s ILE 471 CO -0.00 -0.38 0.00 0.49 0.24 0.00 0.00 174.94 175.28 1br1 n PHE 472 N 4.74 0.00 -0.03 1.37 3.72 -1.26 -5.06 117.46 120.94 1br1 n PHE 472 Ca 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 1br1 n PHE 472 Cb 0.48 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1br1 n PHE 472 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1br1 h GLU 473 N 0.00 0.00 -6.22 -1.08 4.39 -2.00 -3.44 114.58 106.23 1br1 h GLU 473 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1br1 h GLU 473 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 1br1 h GLU 473 CO 0.00 0.00 0.76 0.42 -1.16 0.00 0.00 179.01 179.03 1br1 s ILE 474 N -1.52 4.22 -1.23 3.13 1.01 -1.26 -4.94 121.20 120.61 1br1 s ILE 474 Ca -0.06 0.61 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 1br1 s ILE 474 Cb 0.01 -4.62 0.20 0.00 0.01 0.00 0.00 42.46 38.06 1br1 s ILE 474 CO 0.09 -1.20 1.85 0.59 0.00 0.00 0.00 174.94 176.27 1br1 n ASN 475 N 7.90 5.83 -3.16 3.58 3.02 -1.26 -4.97 115.26 126.20 1br1 n ASN 475 Ca 0.05 -3.20 -0.17 0.00 -0.03 0.00 0.00 54.58 51.23 1br1 n ASN 475 Cb 0.48 -1.41 0.16 0.00 -0.61 0.00 0.00 39.78 38.41 1br1 n ASN 475 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1br1 n SER 476 N 2.88 -3.16 0.17 6.41 2.88 -1.26 -2.28 113.62 119.25 1br1 n SER 476 Ca 0.40 -0.49 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 1br1 n SER 476 Cb 0.34 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 1br1 n SER 476 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1br1 h PHE 477 N -2.89 -0.64 -0.97 0.66 3.57 -1.92 -2.90 116.94 111.85 1br1 h PHE 477 Ca -0.22 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.38 1br1 h PHE 477 Cb 0.74 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.61 1br1 h PHE 477 CO 0.00 -0.35 -0.55 0.39 -2.23 0.00 0.00 178.31 175.57 1br1 n GLU 478 N -5.36 -0.40 0.16 1.11 4.71 -1.26 0.28 120.64 119.87 1br1 n GLU 478 Ca -0.08 1.47 0.19 0.00 -0.01 0.00 0.00 57.16 58.73 1br1 n GLU 478 Cb 0.27 -2.17 0.79 0.00 -1.01 0.00 0.00 31.44 29.32 1br1 n GLU 478 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1br1 h GLN 479 N 0.00 0.00 -0.05 3.49 7.50 -1.85 -0.01 115.11 124.19 1br1 h GLN 479 Ca 0.18 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.24 1br1 h GLN 479 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.96 1br1 h GLN 479 CO -0.92 0.00 -0.34 1.25 -1.50 0.00 0.00 178.83 177.31 1br1 h LEU 480 N 0.00 0.39 -0.35 1.46 5.85 0.42 -1.22 115.31 121.86 1br1 h LEU 480 Ca 0.13 -0.68 -0.19 0.00 0.84 0.00 0.00 57.88 57.98 1br1 h LEU 480 Cb 0.84 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1br1 h LEU 480 CO -0.00 1.01 -0.74 0.00 -0.34 0.00 0.00 178.44 178.37 1br1 h ILE 482 N 0.35 0.17 0.00 0.00 2.04 -1.09 0.22 117.51 119.19 1br1 h ILE 482 Ca -0.03 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1br1 h ILE 482 Cb 1.32 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1br1 h ILE 482 CO 0.13 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.88 1br1 n ASN 483 N -5.57 0.00 0.02 1.72 4.13 -0.46 -1.93 115.26 113.17 1br1 n ASN 483 Ca -0.15 0.27 -0.02 0.00 1.68 0.00 0.00 54.58 56.36 1br1 n ASN 483 Cb 0.45 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 1br1 n ASN 483 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1br1 h TYR 484 N 0.00 -0.15 -0.64 3.10 3.20 -0.20 -2.75 116.97 119.53 1br1 h TYR 484 Ca 0.00 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1br1 h TYR 484 Cb 0.14 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 1br1 h TYR 484 CO 0.00 -0.09 0.03 1.15 -1.64 0.00 0.00 178.16 177.61 1br1 h THR 485 N -0.96 0.49 -0.66 1.81 2.02 -0.31 0.46 112.91 115.76 1br1 h THR 485 Ca -0.02 -0.05 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1br1 h THR 485 Cb 0.12 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 1br1 h THR 485 CO 0.03 0.03 0.27 0.78 0.37 0.00 0.00 175.52 176.99 1br1 h ASN 486 N 0.15 0.29 -0.24 4.18 -0.26 -1.50 0.76 115.58 118.95 1br1 h ASN 486 Ca 0.34 0.08 -0.10 0.00 -0.56 0.00 0.00 56.30 56.06 1br1 h ASN 486 Cb 0.56 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 1br1 h ASN 486 CO -0.53 0.16 -0.19 -0.08 -1.06 0.00 0.00 177.43 175.73 1br1 h GLU 487 N 0.46 0.69 0.50 0.81 4.57 -0.41 -2.59 114.58 118.61 1br1 h GLU 487 Ca 0.34 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1br1 h GLU 487 Cb 0.42 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1br1 h GLU 487 CO -0.32 0.83 -0.27 0.87 -1.18 0.00 0.00 179.01 178.94 1br1 h LYS 488 N 0.61 -0.68 -0.48 1.92 1.79 0.32 -2.88 116.57 117.16 1br1 h LYS 488 Ca 0.09 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 1br1 h LYS 488 Cb 0.66 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.36 1br1 h LYS 488 CO 0.05 -0.46 -0.32 1.25 -1.08 0.00 0.00 179.45 178.89 1br1 h LEU 489 N -0.71 -1.08 -0.62 2.94 7.12 0.31 -1.62 115.31 121.65 1br1 h LEU 489 Ca -0.07 0.20 0.12 0.00 0.13 0.00 0.00 57.88 58.26 1br1 h LEU 489 Cb 0.56 0.52 -0.12 0.00 -0.53 0.00 0.00 40.66 41.09 1br1 h LEU 489 CO 0.09 -0.31 -0.23 -0.61 -0.13 0.00 0.00 178.44 177.25 1br1 h GLN 490 N -0.20 -0.07 -0.73 1.25 5.75 -1.49 0.81 115.11 120.42 1br1 h GLN 490 Ca 0.20 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.89 1br1 h GLN 490 Cb 0.54 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 1br1 h GLN 490 CO -0.60 -0.05 0.50 0.37 -2.65 0.00 0.00 178.83 176.41 1br1 h GLN 491 N -0.08 0.20 0.22 1.69 5.75 -1.07 0.34 115.11 122.16 1br1 h GLN 491 Ca 0.28 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1br1 h GLN 491 Cb 0.51 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1br1 h GLN 491 CO -0.67 0.13 -0.19 1.25 -2.65 0.00 0.00 178.83 176.70 1br1 h LEU 492 N 0.20 -0.49 -0.97 -2.39 5.85 0.93 0.13 115.31 118.57 1br1 h LEU 492 Ca 0.36 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.23 1br1 h LEU 492 Cb 1.11 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 1br1 h LEU 492 CO -0.07 -0.28 0.60 0.15 -0.34 0.00 0.00 178.44 178.50 1br1 h PHE 493 N -0.42 1.10 -0.70 1.25 3.57 -0.67 -0.15 116.94 120.92 1br1 h PHE 493 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1br1 h PHE 493 Cb 0.38 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1br1 h PHE 493 CO -0.13 0.45 0.30 -0.91 -2.23 0.00 0.00 178.31 175.78 1br1 h ASN 494 N 0.97 0.95 0.65 0.41 -0.26 -0.37 0.02 115.58 117.95 1br1 h ASN 494 Ca 0.48 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 56.03 1br1 h ASN 494 Cb 0.45 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1br1 h ASN 494 CO -0.26 0.84 -0.31 -0.74 -1.06 0.00 0.00 177.43 175.90 1br1 h HIS 495 N 0.99 -0.81 0.00 1.19 2.76 0.94 -1.62 115.15 118.59 1br1 h HIS 495 Ca 0.24 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1br1 h HIS 495 Cb 0.18 0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1br1 h HIS 495 CO 0.01 -0.50 -0.02 1.79 -1.30 0.00 0.00 177.93 177.91 1br1 h THR 496 N -1.12 0.26 0.10 6.26 1.35 -1.25 0.20 112.91 118.72 1br1 h THR 496 Ca -0.09 -0.13 -0.31 0.00 -0.55 0.00 0.00 66.41 65.33 1br1 h THR 496 Cb 0.67 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1br1 h THR 496 CO 0.15 0.02 -1.62 -0.03 -0.25 0.00 0.00 175.52 173.78 1br1 h MET 497 N 0.00 0.22 0.00 4.72 -1.53 -0.92 -3.37 114.93 114.05 1br1 h MET 497 Ca -0.00 -0.37 -0.10 0.00 -3.44 0.00 0.00 59.70 55.78 1br1 h MET 497 Cb 0.10 0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 1br1 h MET 497 CO 0.00 1.18 -1.25 1.19 0.14 0.00 0.00 176.91 178.17 1br1 n PHE 498 N -3.83 0.00 0.00 1.39 3.72 -0.62 -4.61 117.46 113.50 1br1 n PHE 498 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1br1 n PHE 498 Cb 0.93 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 1br1 n PHE 498 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1br1 n ILE 499 N -3.37 0.00 -0.04 4.37 5.41 -0.77 -2.64 119.36 122.32 1br1 n ILE 499 Ca -0.13 1.42 -0.10 0.00 1.00 0.00 0.00 62.75 64.95 1br1 n ILE 499 Cb 0.54 -2.33 -0.04 0.00 -0.71 0.00 0.00 39.64 37.11 1br1 n ILE 499 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1br1 h LEU 500 N 0.00 -1.07 -0.83 1.39 3.38 -0.88 -2.57 115.31 114.72 1br1 h LEU 500 Ca 0.00 0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.34 1br1 h LEU 500 Cb 0.00 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1br1 h LEU 500 CO 0.00 -0.35 0.27 -0.08 0.09 0.00 0.00 178.44 178.36 1br1 h GLU 501 N -0.36 0.29 0.00 1.13 4.57 -1.72 0.05 114.58 118.55 1br1 h GLU 501 Ca 0.12 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1br1 h GLU 501 Cb 0.55 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1br1 h GLU 501 CO -0.42 0.20 -0.47 1.96 -1.18 0.00 0.00 179.01 179.09 1br1 h GLN 502 N 0.30 0.00 0.04 1.92 4.20 -1.23 -3.16 115.11 117.18 1br1 h GLN 502 Ca 0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1br1 h GLN 502 Cb 0.94 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 1br1 h GLN 502 CO -0.56 0.47 -0.04 0.93 -0.67 0.00 0.00 178.83 178.97 1br1 h GLU 503 N 0.00 -0.09 0.00 1.46 4.39 -0.71 -2.39 114.58 117.25 1br1 h GLU 503 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1br1 h GLU 503 Cb 1.03 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1br1 h GLU 503 CO 0.06 -0.06 -0.01 1.49 -1.16 0.00 0.00 179.01 179.34 1br1 h GLU 504 N -0.09 0.00 -0.69 2.33 4.57 -1.52 0.31 114.58 119.49 1br1 h GLU 504 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1br1 h GLU 504 Cb 0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1br1 h GLU 504 CO -0.02 0.01 0.14 1.88 -1.18 0.00 0.00 179.01 179.84 1br1 h TYR 505 N 0.00 1.20 0.65 0.92 0.05 -1.41 -1.68 116.97 116.70 1br1 h TYR 505 Ca -0.00 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 1br1 h TYR 505 Cb 0.01 -0.33 0.01 0.00 1.01 0.00 0.00 36.73 37.42 1br1 h TYR 505 CO 0.00 0.99 -0.31 1.96 -1.05 0.00 0.00 178.16 179.74 1br1 h GLN 506 N 1.07 -0.84 -0.66 4.88 4.20 -0.35 -1.85 115.11 121.56 1br1 h GLN 506 Ca 0.21 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.04 1br1 h GLN 506 Cb 0.42 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1br1 h GLN 506 CO 0.01 -0.56 -0.39 0.54 -0.67 0.00 0.00 178.83 177.76 1br1 n ARG 507 N -5.27 -0.29 0.24 1.46 1.74 0.83 0.14 116.66 115.52 1br1 n ARG 507 Ca -0.11 1.31 0.16 0.00 -0.77 0.00 0.00 57.85 58.44 1br1 n ARG 507 Cb 0.35 -1.93 0.84 0.00 -1.02 0.00 0.00 32.46 30.70 1br1 n ARG 507 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1br1 h GLU 508 N 0.00 0.00 -4.33 5.56 4.39 -1.41 -3.47 114.58 115.32 1br1 h GLU 508 Ca 0.11 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1br1 h GLU 508 Cb 0.27 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.03 1br1 h GLU 508 CO -0.62 0.00 -0.49 0.41 -1.16 0.00 0.00 179.01 177.15 1br1 n GLY 509 N -0.99 -0.14 3.93 -3.84 0.00 0.37 -2.36 105.19 102.16 1br1 n GLY 509 Ca -0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1br1 n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1br1 s ILE 510 N -3.23 5.03 -0.79 -0.61 -4.36 -0.74 -4.87 121.20 111.63 1br1 s ILE 510 Ca 0.07 -0.17 -0.26 0.00 -0.26 0.00 0.00 60.65 60.03 1br1 s ILE 510 Cb -0.01 -3.85 -0.09 0.00 1.25 0.00 0.00 42.46 39.76 1br1 s ILE 510 CO 0.46 -0.64 2.22 -0.70 0.24 0.00 0.00 174.94 176.51 1br1 s GLU 511 N -4.39 2.03 -0.10 0.37 2.12 -1.26 -4.84 118.70 112.63 1br1 s GLU 511 Ca 0.43 0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.96 1br1 s GLU 511 Cb -0.10 -4.84 0.03 0.00 0.26 0.00 0.00 34.13 29.48 1br1 s GLU 511 CO 0.38 -3.88 0.31 -0.46 -0.54 0.00 0.00 175.26 171.08 1br1 s TRP 512 N 12.61 -0.31 -0.00 5.30 -0.11 -1.26 -5.15 118.94 130.01 1br1 s TRP 512 Ca 0.84 0.73 0.05 0.00 1.22 0.00 0.00 56.10 58.94 1br1 s TRP 512 Cb -0.11 0.11 -0.03 0.00 -1.50 0.00 0.00 33.47 31.94 1br1 s TRP 512 CO 0.07 -0.20 -0.16 0.54 -4.62 0.00 0.00 176.95 172.58 1br1 s ASN 513 N -0.10 3.95 0.94 5.86 6.03 -1.26 -4.98 114.94 125.38 1br1 s ASN 513 Ca -0.02 -0.30 -0.11 0.00 -1.03 0.00 0.00 52.86 51.40 1br1 s ASN 513 Cb -0.03 -0.75 0.16 0.00 -3.03 0.00 0.00 41.25 37.60 1br1 s ASN 513 CO 0.01 0.30 1.11 0.12 -2.03 0.00 0.00 177.10 176.61 1br1 s PHE 514 N -0.84 1.76 -0.09 1.54 2.19 -1.26 -5.05 117.98 116.22 1br1 s PHE 514 Ca 0.13 1.60 -0.04 0.00 0.33 0.00 0.00 56.93 58.96 1br1 s PHE 514 Cb -0.11 -3.24 0.05 0.00 -1.31 0.00 0.00 43.02 38.41 1br1 s PHE 514 CO 0.03 -2.84 0.19 0.42 1.83 0.00 0.00 175.22 174.85 1br1 s ILE 515 N -2.67 -0.25 -0.56 3.12 1.09 -1.26 -5.12 121.20 115.55 1br1 s ILE 515 Ca 0.66 0.30 -0.20 0.00 -1.10 0.00 0.00 60.65 60.31 1br1 s ILE 515 Cb -0.22 -0.32 0.08 0.00 -1.06 0.00 0.00 42.46 40.94 1br1 s ILE 515 CO 0.59 0.13 0.71 -0.62 -0.10 0.00 0.00 174.94 175.65 1br1 s ASP 516 N 2.09 6.21 0.00 3.58 2.15 -1.26 -4.87 116.67 124.56 1br1 s ASP 516 Ca 0.00 -1.12 0.30 0.00 0.43 0.00 0.00 52.55 52.16 1br1 s ASP 516 Cb -0.12 -2.32 1.81 0.00 -0.30 0.00 0.00 42.92 42.00 1br1 s ASP 516 CO -0.07 -1.07 2.14 0.49 -0.17 0.00 0.00 175.17 176.50 1br1 n PHE 517 N 6.47 0.00 -3.64 -5.34 3.72 -1.26 -4.93 117.46 112.48 1br1 n PHE 517 Ca -0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 1br1 n PHE 517 Cb 0.44 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 1br1 n PHE 517 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1br1 n GLY 518 N 0.90 -1.17 2.55 1.37 0.00 -1.26 -4.97 105.19 102.61 1br1 n GLY 518 Ca 0.23 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.50 1br1 n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1br1 s LEU 519 N -5.40 0.64 -0.08 0.99 1.43 -1.26 -5.11 118.68 109.88 1br1 s LEU 519 Ca 0.17 -1.94 -0.07 0.00 -1.03 0.00 0.00 54.13 51.26 1br1 s LEU 519 Cb -0.07 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.06 1br1 s LEU 519 CO 0.87 -0.30 0.22 -0.62 0.23 0.00 0.00 176.35 176.74 1br1 s ASP 520 N 1.25 -0.23 -0.01 2.29 -1.08 -1.26 -4.86 116.67 112.78 1br1 s ASP 520 Ca 0.17 0.45 0.01 0.00 -0.52 0.00 0.00 52.55 52.66 1br1 s ASP 520 Cb -0.20 0.44 0.01 0.00 -1.46 0.00 0.00 42.92 41.70 1br1 s ASP 520 CO -0.03 -0.09 0.80 0.18 0.52 0.00 0.00 175.17 176.55 1br1 n LEU 521 N 3.15 1.11 -0.28 -1.34 4.77 -1.26 -4.80 117.00 118.35 1br1 n LEU 521 Ca -0.15 -1.17 -0.03 0.00 -0.03 0.00 0.00 56.01 54.63 1br1 n LEU 521 Cb 0.58 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1br1 n LEU 521 CO 0.18 0.29 0.62 -0.61 -1.33 0.00 0.00 177.39 176.54 1br1 h GLN 522 N 0.00 -0.09 -0.06 3.23 5.75 -1.95 -1.57 115.11 120.43 1br1 h GLN 522 Ca 0.00 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1br1 h GLN 522 Cb 0.76 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1br1 h GLN 522 CO 0.00 -0.06 -0.04 -1.35 -2.65 0.00 0.00 178.83 174.73 1br1 h PRO 523 N -0.09 -0.01 0.00 -2.39 0.10 -2.00 0.66 132.00 128.27 1br1 h PRO 523 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.39 1br1 h PRO 523 Cb 0.57 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.67 1br1 h PRO 523 CO -0.81 -0.00 0.28 0.00 0.10 0.00 0.00 178.00 177.56 1br1 h ILE 525 N 0.00 0.75 -0.43 0.00 2.04 0.75 -3.37 117.51 117.25 1br1 h ILE 525 Ca 0.00 -2.28 0.06 0.00 1.00 0.00 0.00 64.86 63.64 1br1 h ILE 525 Cb 0.56 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 1br1 h ILE 525 CO 0.00 0.67 0.10 -0.33 0.00 0.00 0.00 178.15 178.59 1br1 h GLU 526 N -0.35 0.24 0.00 2.37 4.39 0.95 2.64 114.58 124.82 1br1 h GLU 526 Ca -0.39 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1br1 h GLU 526 Cb 1.75 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1br1 h GLU 526 CO -0.02 0.16 0.30 -0.11 -1.16 0.00 0.00 179.01 178.17 1br1 n LEU 527 N -5.08 0.20 0.00 1.33 0.00 -0.82 -2.06 117.00 110.57 1br1 n LEU 527 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 56.01 56.48 1br1 n LEU 527 Cb 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 43.42 43.22 1br1 n LEU 527 CO 0.23 -0.51 -0.01 0.00 0.00 0.00 0.00 177.39 177.11 1br1 n ILE 528 N -1.76 0.00 -0.03 1.96 3.06 0.14 0.14 119.36 122.86 1br1 n ILE 528 Ca -0.01 -0.03 -0.04 0.00 -2.50 0.00 0.00 62.75 60.18 1br1 n ILE 528 Cb 0.31 0.80 -0.01 0.00 0.54 0.00 0.00 39.64 41.28 1br1 n ILE 528 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1br1 n GLU 529 N -0.09 0.21 -1.27 9.51 2.13 0.87 -3.46 120.64 128.54 1br1 n GLU 529 Ca 0.00 0.08 -0.43 0.00 0.66 0.00 0.00 57.16 57.47 1br1 n GLU 529 Cb 0.00 -0.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 1br1 n GLU 529 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1br1 n ARG 530 N -3.30 0.00 0.00 5.31 3.00 -1.05 -4.67 116.66 115.95 1br1 n ARG 530 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1br1 n ARG 530 Cb 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.75 1br1 n ARG 530 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1br1 n PRO 531 N 0.94 0.00 -0.27 -0.14 -0.04 -1.26 -0.36 135.00 133.87 1br1 n PRO 531 Ca 0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.31 1br1 n PRO 531 Cb 0.24 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 34.00 1br1 n PRO 531 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1br1 s THR 532 N 0.42 1.06 0.08 0.52 -4.23 -1.26 -3.42 115.64 108.80 1br1 s THR 532 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1br1 s THR 532 Cb 0.00 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1br1 s THR 532 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1br1 n ASN 533 N -5.82 -6.16 -4.21 3.99 3.02 -1.26 -4.18 115.26 100.63 1br1 n ASN 533 Ca 0.14 0.36 -0.45 0.00 -0.03 0.00 0.00 54.58 54.59 1br1 n ASN 533 Cb 0.61 -1.02 -0.13 0.00 -0.61 0.00 0.00 39.78 38.62 1br1 n ASN 533 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1br1 n PRO 534 N -2.38 0.00 -0.67 3.52 -0.01 -1.26 -4.79 135.00 129.40 1br1 n PRO 534 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 63.50 63.18 1br1 n PRO 534 Cb 0.15 -1.43 0.17 0.00 -0.01 0.00 0.00 33.50 32.38 1br1 n PRO 534 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1br1 n PRO 535 N 7.77 -0.60 -4.12 0.52 -0.02 -1.22 -4.61 135.00 132.72 1br1 n PRO 535 Ca 0.59 -0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 1br1 n PRO 535 Cb 0.01 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 1br1 n PRO 535 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1br1 s GLY 536 N -2.54 1.44 0.31 -1.23 0.00 0.51 -4.80 107.32 101.01 1br1 s GLY 536 Ca 0.66 -1.41 0.07 0.00 0.00 0.00 0.00 44.72 44.04 1br1 s GLY 536 CO 0.60 -1.45 1.69 -2.08 0.00 0.00 0.00 173.10 171.86 1br1 h VAL 537 N 1.55 0.44 -0.48 1.40 2.07 -0.47 0.22 116.25 120.98 1br1 h VAL 537 Ca -0.48 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1br1 h VAL 537 Cb 1.24 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1br1 h VAL 537 CO 0.61 0.08 0.07 -0.07 0.02 0.00 0.00 177.57 178.27 1br1 h LEU 538 N 0.41 0.78 -0.03 2.57 3.38 -1.83 -3.04 115.31 117.55 1br1 h LEU 538 Ca 0.61 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1br1 h LEU 538 Cb 1.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1br1 h LEU 538 CO -0.54 0.85 -0.21 0.00 0.09 0.00 0.00 178.44 178.63 1br1 h ALA 539 N 0.96 -0.63 -0.04 1.53 0.00 -0.83 -2.25 119.26 117.99 1br1 h ALA 539 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1br1 h ALA 539 Cb 0.41 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1br1 h ALA 539 CO 0.01 -0.70 -0.10 -0.07 0.00 0.00 0.00 179.25 178.39 1br1 h LEU 540 N -0.24 -0.33 -0.14 0.00 3.38 -1.54 0.24 115.31 116.69 1br1 h LEU 540 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1br1 h LEU 540 Cb 0.27 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1br1 h LEU 540 CO -0.15 -0.08 0.47 -0.11 0.09 0.00 0.00 178.44 178.65 1br1 n LEU 541 N -3.14 0.05 -0.08 1.67 7.94 -1.15 -1.29 117.00 121.01 1br1 n LEU 541 Ca -0.01 0.22 -0.12 0.00 -1.11 0.00 0.00 56.01 54.99 1br1 n LEU 541 Cb 0.07 -0.14 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 1br1 n LEU 541 CO 0.01 -0.23 -0.23 0.44 -1.11 0.00 0.00 177.39 176.27 1br1 h ASP 542 N 0.00 0.00 -0.01 1.96 3.32 0.09 -3.29 116.42 118.50 1br1 h ASP 542 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1br1 h ASP 542 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1br1 h ASP 542 CO 0.00 1.01 -0.21 1.05 -1.72 0.00 0.00 179.24 179.38 1br1 h GLU 543 N -1.00 0.15 0.00 3.56 9.09 -0.99 -3.02 114.58 122.37 1br1 h GLU 543 Ca -0.12 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.13 1br1 h GLU 543 Cb 0.79 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1br1 h GLU 543 CO -0.07 0.88 0.04 0.39 0.05 0.00 0.00 179.01 180.30 1br1 n GLU 544 N -4.54 0.00 0.04 1.06 -0.58 -0.41 0.23 120.64 116.44 1br1 n GLU 544 Ca -0.10 0.32 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 1br1 n GLU 544 Cb 0.48 -1.54 0.16 0.00 -0.57 0.00 0.00 31.44 29.96 1br1 n GLU 544 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1br1 n TRP 546 N -1.94 3.81 -3.47 0.00 8.01 0.64 -4.94 117.44 119.55 1br1 n TRP 546 Ca 0.03 -3.76 0.01 0.00 -1.31 0.00 0.00 57.50 52.47 1br1 n TRP 546 Cb 0.41 -0.62 -0.04 0.00 -2.01 0.00 0.00 31.31 29.06 1br1 n TRP 546 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 1br1 s PHE 547 N -3.54 -0.97 0.05 -5.99 5.36 -1.26 -5.03 117.98 106.60 1br1 s PHE 547 Ca 0.47 1.62 -0.11 0.00 -0.96 0.00 0.00 56.93 57.94 1br1 s PHE 547 Cb 0.25 0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 43.46 1br1 s PHE 547 CO -0.13 -0.49 1.19 -1.00 -1.46 0.00 0.00 175.22 173.34 1br1 h PRO 548 N 7.73 -0.07 -2.27 10.12 0.13 -1.92 -2.78 132.00 142.94 1br1 h PRO 548 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.92 1br1 h PRO 548 Cb 1.11 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1br1 h PRO 548 CO 0.09 -0.05 0.03 1.63 -0.23 0.00 0.00 178.00 179.48 1br1 n LYS 549 N -3.71 0.76 -4.30 0.86 5.02 -1.26 -4.72 118.16 110.81 1br1 n LYS 549 Ca -0.00 -0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 55.85 1br1 n LYS 549 Cb 0.11 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 1br1 n LYS 549 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1br1 s ALA 550 N 1.54 0.72 0.05 7.82 0.00 -1.05 -5.01 121.76 125.83 1br1 s ALA 550 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1br1 s ALA 550 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1br1 s ALA 550 CO 0.00 0.15 0.01 0.95 0.00 0.00 0.00 175.76 176.87 1br1 s THR 551 N -0.39 0.18 0.25 0.00 -4.23 -1.26 -4.96 115.64 105.22 1br1 s THR 551 Ca 0.02 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1br1 s THR 551 Cb -0.04 -1.16 0.32 0.00 1.34 0.00 0.00 72.50 72.96 1br1 s THR 551 CO -0.00 -0.81 1.22 0.47 -0.54 0.00 0.00 174.62 174.96 1br1 n ASP 552 N 0.50 -0.06 0.04 3.99 8.00 -1.26 0.16 116.55 127.92 1br1 n ASP 552 Ca -0.17 1.32 -0.02 0.00 0.71 0.00 0.00 54.79 56.63 1br1 n ASP 552 Cb 0.60 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1br1 n ASP 552 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1br1 h THR 553 N 0.00 0.00 -0.72 -3.53 2.02 -1.91 0.01 112.91 108.77 1br1 h THR 553 Ca 0.49 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.85 1br1 h THR 553 Cb 1.03 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.31 1br1 h THR 553 CO -0.72 0.00 -0.04 -1.54 0.37 0.00 0.00 175.52 173.59 1br1 n SER 554 N -2.45 -0.13 0.00 4.18 3.41 0.43 -0.06 113.62 118.99 1br1 n SER 554 Ca -0.01 1.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1br1 n SER 554 Cb 0.05 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1br1 n SER 554 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1br1 n PHE 555 N -5.05 0.00 -0.34 7.33 7.35 0.29 -1.75 117.46 125.29 1br1 n PHE 555 Ca 0.16 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.87 1br1 n PHE 555 Cb 0.50 -0.42 0.08 0.00 0.35 0.00 0.00 39.48 39.99 1br1 n PHE 555 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1br1 n VAL 556 N -2.10 -0.43 -0.17 -2.13 0.31 0.92 0.75 118.33 115.48 1br1 n VAL 556 Ca 0.00 2.10 -0.01 0.00 -0.01 0.00 0.00 64.34 66.42 1br1 n VAL 556 Cb 0.00 -2.84 0.08 0.00 -0.91 0.00 0.00 33.84 30.17 1br1 n VAL 556 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1br1 h GLU 557 N 0.00 0.18 -0.60 5.55 4.39 -1.10 0.67 114.58 123.67 1br1 h GLU 557 Ca 0.37 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.02 1br1 h GLU 557 Cb 0.60 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1br1 h GLU 557 CO -0.92 0.12 0.21 -0.22 -1.16 0.00 0.00 179.01 177.04 1br1 h LYS 558 N 0.18 0.91 -0.60 2.33 3.64 0.11 -1.39 116.57 121.76 1br1 h LYS 558 Ca 0.27 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 1br1 h LYS 558 Cb 0.40 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 31.98 1br1 h LYS 558 CO -0.39 0.80 -0.06 1.25 -2.27 0.00 0.00 179.45 178.78 1br1 h LEU 559 N 0.84 -0.38 -1.38 5.20 5.85 0.56 1.24 115.31 127.25 1br1 h LEU 559 Ca 0.20 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1br1 h LEU 559 Cb 0.26 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1br1 h LEU 559 CO -0.01 -0.15 0.34 0.40 -0.34 0.00 0.00 178.44 178.68 1br1 h ILE 560 N 0.07 1.16 0.08 4.05 1.08 0.56 -2.79 117.51 121.72 1br1 h ILE 560 Ca 0.31 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1br1 h ILE 560 Cb 0.49 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1br1 h ILE 560 CO -0.55 0.17 -0.21 -0.61 -0.69 0.00 0.00 178.15 176.25 1br1 h GLN 561 N 0.77 -0.31 0.00 2.37 -0.00 0.26 -1.78 115.11 116.42 1br1 h GLN 561 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1br1 h GLN 561 Cb -0.03 0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1br1 h GLN 561 CO -0.04 -0.21 0.00 0.39 0.00 0.00 0.00 178.83 178.97 1br1 n GLU 562 N -3.64 0.00 0.00 1.69 -0.58 -0.68 -4.39 120.64 113.03 1br1 n GLU 562 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1br1 n GLU 562 Cb 0.17 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1br1 n GLU 562 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1br1 n GLN 563 N -0.41 0.00 0.00 3.49 3.00 -1.06 -4.60 117.38 117.80 1br1 n GLN 563 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1br1 n GLN 563 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1br1 n GLN 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1br1 n GLY 564 N -0.82 0.06 1.83 1.08 0.00 -0.67 -2.35 105.19 104.32 1br1 n GLY 564 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.44 1br1 n GLY 564 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1br1 n ASN 565 N 0.50 5.09 -4.69 1.61 2.04 -1.26 -4.67 115.26 113.88 1br1 n ASN 565 Ca 0.00 -2.94 -0.42 0.00 -0.44 0.00 0.00 54.58 50.78 1br1 n ASN 565 Cb 0.00 -0.69 -0.03 0.00 -2.53 0.00 0.00 39.78 36.53 1br1 n ASN 565 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 1br1 s HIS 566 N -2.67 2.30 0.62 -2.53 2.46 -0.99 -4.81 115.29 109.66 1br1 s HIS 566 Ca 0.50 0.13 0.24 0.00 0.47 0.00 0.00 55.06 56.40 1br1 s HIS 566 Cb 0.39 -4.09 1.03 0.00 -0.13 0.00 0.00 32.58 29.77 1br1 s HIS 566 CO 0.14 -4.44 1.50 0.00 -2.47 0.00 0.00 174.74 169.47 1br1 h ALA 567 N 8.38 2.41 -0.36 1.58 0.00 -1.93 1.46 119.26 130.81 1br1 h ALA 567 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1br1 h ALA 567 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1br1 h ALA 567 CO 0.94 -1.18 0.00 1.63 0.00 0.00 0.00 179.25 180.64 1br1 n LYS 568 N -3.22 2.45 -4.22 0.00 4.76 -1.26 -4.92 118.16 111.75 1br1 n LYS 568 Ca 0.13 -2.03 -0.24 0.00 -2.87 0.00 0.00 58.31 53.30 1br1 n LYS 568 Cb 1.07 -1.33 -0.07 0.00 -1.84 0.00 0.00 35.03 32.86 1br1 n LYS 568 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1br1 s PHE 569 N -1.04 2.85 -0.22 2.13 5.36 0.50 -0.91 117.98 126.65 1br1 s PHE 569 Ca 0.27 -0.16 -0.27 0.00 -0.96 0.00 0.00 56.93 55.81 1br1 s PHE 569 Cb 0.15 -1.32 0.09 0.00 -0.34 0.00 0.00 43.02 41.59 1br1 s PHE 569 CO 0.20 0.56 0.80 -1.14 -1.46 0.00 0.00 175.22 174.17 1br1 s GLN 570 N -3.37 0.79 0.27 10.12 0.74 -0.68 -4.67 119.66 122.87 1br1 s GLN 570 Ca 0.30 0.70 -0.15 0.00 0.05 0.00 0.00 55.36 56.27 1br1 s GLN 570 Cb -0.08 0.38 -0.08 0.00 1.10 0.00 0.00 33.01 34.33 1br1 s GLN 570 CO 0.20 -0.14 0.68 -1.59 -0.55 0.00 0.00 175.29 173.89 1br1 s LYS 571 N -0.08 4.00 0.00 1.67 -2.85 -1.26 0.20 119.74 121.42 1br1 s LYS 571 Ca -0.02 0.60 0.00 0.00 -1.00 0.00 0.00 55.97 55.56 1br1 s LYS 571 Cb -0.04 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 1br1 s LYS 571 CO 0.01 0.25 0.00 -1.13 0.10 0.00 0.00 175.35 174.58 1br1 n SER 572 N -0.06 -1.68 -3.43 0.03 3.41 -1.23 -4.76 113.62 105.90 1br1 n SER 572 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 1br1 n SER 572 Cb 0.53 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1br1 n SER 572 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1br1 n LYS 573 N -1.68 4.59 -4.12 4.33 4.01 -1.26 -4.72 118.16 119.31 1br1 n LYS 573 Ca 0.00 -3.61 -0.28 0.00 -0.51 0.00 0.00 58.31 53.90 1br1 n LYS 573 Cb 0.00 -2.56 -0.06 0.00 -0.51 0.00 0.00 35.03 31.90 1br1 n LYS 573 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1br1 n GLN 574 N 1.30 -2.19 -2.47 1.97 6.02 -1.26 -4.86 117.38 115.88 1br1 n GLN 574 Ca 0.59 0.26 -0.16 0.00 -0.01 0.00 0.00 57.00 57.67 1br1 n GLN 574 Cb 0.27 -4.08 0.02 0.00 1.02 0.00 0.00 30.24 27.47 1br1 n GLN 574 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1br1 n LEU 575 N -4.49 3.35 0.00 1.08 4.32 -1.26 -4.75 117.00 115.25 1br1 n LEU 575 Ca -0.32 -4.26 0.05 0.00 -0.02 0.00 0.00 56.01 51.46 1br1 n LEU 575 Cb 0.69 -0.02 0.21 0.00 -1.62 0.00 0.00 43.42 42.69 1br1 n LEU 575 CO 0.80 1.78 0.63 2.29 -1.22 0.00 0.00 177.39 181.67 1br1 n LYS 576 N -0.48 0.04 -0.25 3.23 -0.00 -1.26 0.61 118.16 120.05 1br1 n LYS 576 Ca 0.27 0.30 -0.04 0.00 -0.00 0.00 0.00 58.31 58.83 1br1 n LYS 576 Cb 0.81 -1.50 0.06 0.00 -0.00 0.00 0.00 35.03 34.41 1br1 n LYS 576 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1br1 h ASP 577 N 0.00 0.76 0.73 -5.58 3.04 -1.99 0.08 116.42 113.47 1br1 h ASP 577 Ca 0.00 -0.01 -0.19 0.00 -3.24 0.00 0.00 57.03 53.58 1br1 h ASP 577 Cb 0.14 -0.18 -0.03 0.00 -1.04 0.00 0.00 39.33 38.22 1br1 h ASP 577 CO 0.00 0.54 -1.38 0.11 -2.04 0.00 0.00 179.24 176.47 1br1 h LYS 578 N 0.90 0.00 -5.08 4.15 1.57 -1.40 -3.50 116.57 113.21 1br1 h LYS 578 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1br1 h LYS 578 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1br1 h LYS 578 CO -0.08 0.39 -0.20 0.25 -0.57 0.00 0.00 179.45 179.24 1br1 n THR 579 N -2.98 -9.64 -4.26 -0.16 -2.24 0.20 -4.29 114.28 90.92 1br1 n THR 579 Ca -0.10 0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.68 1br1 n THR 579 Cb 0.89 -6.75 -0.07 0.00 -2.10 0.00 0.00 70.33 62.29 1br1 n THR 579 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1br1 s GLU 580 N -2.75 2.36 0.17 -0.78 -1.05 -1.23 -3.03 118.70 112.40 1br1 s GLU 580 Ca 0.10 -1.29 0.01 0.00 -0.15 0.00 0.00 54.97 53.63 1br1 s GLU 580 Cb -0.03 -2.25 -0.04 0.00 -0.44 0.00 0.00 34.13 31.37 1br1 s GLU 580 CO 0.68 0.40 0.03 -0.59 0.95 0.00 0.00 175.26 176.73 1br1 s PHE 581 N -2.11 1.16 0.15 4.83 -0.71 -0.54 -3.49 117.98 117.27 1br1 s PHE 581 Ca 0.30 -1.11 0.08 0.00 -1.04 0.00 0.00 56.93 55.16 1br1 s PHE 581 Cb -0.07 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 1br1 s PHE 581 CO 0.20 -0.33 -0.19 0.00 -1.34 0.00 0.00 175.22 173.56 1br1 s ILE 583 N -1.80 -0.02 -1.06 0.00 -4.36 -1.16 -1.69 121.20 111.12 1br1 s ILE 583 Ca 0.13 0.07 -0.20 0.00 -0.26 0.00 0.00 60.65 60.39 1br1 s ILE 583 Cb -0.07 -0.30 0.09 0.00 1.25 0.00 0.00 42.46 43.43 1br1 s ILE 583 CO 0.06 0.03 1.40 -0.76 0.24 0.00 0.00 174.94 175.90 1br1 s LEU 584 N 0.57 4.23 0.00 0.37 1.43 -0.09 -3.35 118.68 121.84 1br1 s LEU 584 Ca -0.04 -1.99 0.00 0.00 -1.03 0.00 0.00 54.13 51.07 1br1 s LEU 584 Cb -0.05 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1br1 s LEU 584 CO -0.03 -1.22 0.00 1.41 0.23 0.00 0.00 176.35 176.74 1br1 n HIS 585 N 7.68 -2.35 -0.01 0.29 8.25 -0.92 -4.90 115.22 123.25 1br1 n HIS 585 Ca 0.33 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.67 1br1 n HIS 585 Cb 0.49 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 1br1 n HIS 585 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1br1 n TYR 586 N -2.36 1.09 1.85 4.41 4.11 -1.26 -3.66 117.16 121.34 1br1 n TYR 586 Ca 0.00 0.33 0.14 0.00 -0.00 0.00 0.00 57.90 58.38 1br1 n TYR 586 Cb 0.00 -1.18 0.77 0.00 -0.00 0.00 0.00 39.34 38.93 1br1 n TYR 586 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1br1 n ALA 587 N -2.70 2.64 0.00 -3.48 0.00 -1.26 -4.83 120.51 110.89 1br1 n ALA 587 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1br1 n ALA 587 Cb 1.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1br1 n ALA 587 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1br1 n GLY 588 N 1.01 1.56 3.80 0.00 0.00 -1.24 -5.09 105.19 105.23 1br1 n GLY 588 Ca 0.21 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1br1 n GLY 588 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 589 N -1.38 3.69 -0.11 1.61 2.20 -1.26 -2.16 119.74 122.34 1br1 s LYS 589 Ca 0.00 1.28 -0.10 0.00 -0.36 0.00 0.00 55.97 56.79 1br1 s LYS 589 Cb 0.00 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.27 1br1 s LYS 589 CO 0.00 -0.51 0.29 0.08 -0.36 0.00 0.00 175.35 174.85 1br1 s VAL 590 N -2.16 -0.00 -0.45 4.02 1.01 -1.21 -4.96 120.40 116.64 1br1 s VAL 590 Ca 0.65 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 1br1 s VAL 590 Cb -0.16 -0.42 0.10 0.00 0.00 0.00 0.00 36.38 35.91 1br1 s VAL 590 CO 0.25 0.01 0.31 -0.89 0.00 0.00 0.00 175.10 174.78 1br1 s THR 591 N 0.30 4.28 0.29 3.92 2.01 -1.26 -2.98 115.64 122.21 1br1 s THR 591 Ca -0.01 -1.58 -0.16 0.00 0.31 0.00 0.00 61.69 60.25 1br1 s THR 591 Cb -0.03 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 1br1 s THR 591 CO -0.01 -0.65 0.73 -0.31 -0.69 0.00 0.00 174.62 173.69 1br1 s TYR 592 N 1.41 3.45 -0.61 4.92 2.02 0.79 -4.17 117.35 125.16 1br1 s TYR 592 Ca 0.04 1.26 -0.08 0.00 -0.37 0.00 0.00 57.07 57.92 1br1 s TYR 592 Cb -0.25 -2.55 0.16 0.00 -0.40 0.00 0.00 41.96 38.92 1br1 s TYR 592 CO 0.01 0.17 0.47 1.21 -1.57 0.00 0.00 175.55 175.84 1br1 s ASN 593 N -2.10 5.76 0.00 2.29 3.04 -0.97 -1.46 114.94 121.50 1br1 s ASN 593 Ca 0.51 -2.44 0.00 0.00 0.04 0.00 0.00 52.86 50.97 1br1 s ASN 593 Cb -0.12 -1.99 0.00 0.00 -1.54 0.00 0.00 41.25 37.60 1br1 s ASN 593 CO 0.18 -0.54 0.85 0.00 -3.04 0.00 0.00 177.10 174.55 1br1 n ALA 594 N 4.16 0.86 -1.69 1.71 0.00 -1.17 -4.64 120.51 119.75 1br1 n ALA 594 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.03 1br1 n ALA 594 Cb 0.41 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1br1 n ALA 594 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1br1 n SER 595 N -1.35 3.26 0.00 0.00 2.88 -1.26 -1.99 113.62 115.16 1br1 n SER 595 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1br1 n SER 595 Cb 0.08 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1br1 n SER 595 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1br1 n ALA 596 N 2.81 0.00 -0.37 -1.46 0.00 -1.26 -4.90 120.51 115.34 1br1 n ALA 596 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1br1 n ALA 596 Cb 0.32 -0.63 0.13 0.00 0.00 0.00 0.00 19.45 19.27 1br1 n ALA 596 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1br1 h TRP 597 N 0.00 1.23 -0.52 0.00 4.06 -1.73 -2.26 115.95 116.73 1br1 h TRP 597 Ca 0.00 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.93 1br1 h TRP 597 Cb 0.30 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1br1 h TRP 597 CO 0.19 0.75 0.14 -0.07 -3.56 0.00 0.00 178.44 175.89 1br1 h LEU 598 N 1.31 0.73 0.53 -4.49 3.38 -1.88 0.57 115.31 115.46 1br1 h LEU 598 Ca 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1br1 h LEU 598 Cb -0.09 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1br1 h LEU 598 CO -0.10 0.71 -0.25 0.74 0.09 0.00 0.00 178.44 179.63 1br1 h THR 599 N 0.77 0.35 -0.36 0.22 2.02 -1.82 -2.61 112.91 111.47 1br1 h THR 599 Ca 0.17 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.02 1br1 h THR 599 Cb 0.26 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1br1 h THR 599 CO -0.00 0.05 0.13 0.11 0.37 0.00 0.00 175.52 176.18 1br1 h LYS 600 N -0.98 0.28 0.00 6.66 1.57 -1.42 0.15 116.57 122.83 1br1 h LYS 600 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1br1 h LYS 600 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1br1 h LYS 600 CO 0.12 0.19 0.03 -1.71 -0.57 0.00 0.00 179.45 177.51 1br1 n ASN 601 N -5.01 0.43 -0.08 0.86 2.85 0.18 -2.14 115.26 112.36 1br1 n ASN 601 Ca 0.01 0.69 -0.10 0.00 -0.11 0.00 0.00 54.58 55.07 1br1 n ASN 601 Cb 0.12 -0.73 -0.10 0.00 1.24 0.00 0.00 39.78 40.31 1br1 n ASN 601 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1br1 n MET 602 N -2.08 1.10 -3.35 1.20 1.56 -0.32 -2.63 117.12 112.59 1br1 n MET 602 Ca -0.01 0.05 -0.11 0.00 -0.27 0.00 0.00 57.70 57.36 1br1 n MET 602 Cb 0.06 -1.36 0.00 0.00 2.15 0.00 0.00 33.22 34.07 1br1 n MET 602 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1br1 n ASP 603 N -2.76 -6.60 -4.97 6.12 2.03 0.36 -4.88 116.55 105.85 1br1 n ASP 603 Ca -0.27 -0.41 -0.21 0.00 0.52 0.00 0.00 54.79 54.42 1br1 n ASP 603 Cb 0.90 -3.81 0.02 0.00 -0.72 0.00 0.00 41.12 37.51 1br1 n ASP 603 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1br1 s PRO 604 N -3.75 2.84 0.00 -0.67 0.05 -1.26 -4.80 135.00 127.41 1br1 s PRO 604 Ca 0.01 -0.78 0.00 0.00 0.05 0.00 0.00 61.00 60.29 1br1 s PRO 604 Cb -0.00 -2.60 0.00 0.00 0.05 0.00 0.00 34.50 31.95 1br1 s PRO 604 CO 0.81 -0.39 0.00 -0.11 0.05 0.00 0.00 177.00 177.36 1br1 n LEU 605 N -2.09 0.00 -4.55 -3.56 7.94 -1.26 -4.96 117.00 108.53 1br1 n LEU 605 Ca 0.05 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.72 1br1 n LEU 605 Cb 0.59 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 1br1 n LEU 605 CO 0.45 0.00 1.58 -3.20 -1.11 0.00 0.00 177.39 175.11 1br1 n ASN 606 N 0.00 1.76 0.29 1.96 2.85 -1.26 -4.23 115.26 116.64 1br1 n ASN 606 Ca 0.00 -1.04 0.14 0.00 -0.11 0.00 0.00 54.58 53.57 1br1 n ASN 606 Cb 0.00 -1.55 0.88 0.00 1.24 0.00 0.00 39.78 40.35 1br1 n ASN 606 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1br1 h ASP 607 N 15.07 0.00 -0.16 1.20 2.03 -1.97 -1.11 116.42 131.49 1br1 h ASP 607 Ca -0.08 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.26 1br1 h ASP 607 Cb 1.11 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.55 1br1 h ASP 607 CO 1.10 0.00 -0.38 0.78 -1.03 0.00 0.00 179.24 179.72 1br1 h ASN 608 N 0.00 -1.19 0.86 4.15 4.21 -1.90 0.73 115.58 122.44 1br1 h ASN 608 Ca -0.00 0.17 -0.17 0.00 1.21 0.00 0.00 56.30 57.51 1br1 h ASN 608 Cb 0.01 0.50 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 1br1 h ASN 608 CO 0.00 -0.39 -0.79 1.62 -1.29 0.00 0.00 177.43 176.57 1br1 h VAL 609 N -0.44 1.53 0.00 2.81 3.04 -1.75 -2.68 116.25 118.76 1br1 h VAL 609 Ca 0.09 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 63.02 1br1 h VAL 609 Cb 0.59 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 1br1 h VAL 609 CO -0.40 0.78 0.00 0.41 -1.01 0.00 0.00 177.57 177.35 1br1 n THR 610 N -3.54 0.00 -0.01 3.17 -1.04 0.02 -1.56 114.28 111.33 1br1 n THR 610 Ca -0.00 1.27 0.13 0.00 -2.04 0.00 0.00 64.05 63.41 1br1 n THR 610 Cb 0.78 -1.94 0.57 0.00 -1.82 0.00 0.00 70.33 67.92 1br1 n THR 610 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1br1 h SER 611 N 0.00 0.22 -0.91 8.00 4.64 -1.08 -0.23 113.55 124.18 1br1 h SER 611 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 1br1 h SER 611 Cb 0.00 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 1br1 h SER 611 CO 0.00 0.13 0.39 0.25 -0.87 0.00 0.00 176.83 176.73 1br1 h LEU 612 N 0.24 0.29 0.08 5.97 5.85 -0.92 0.24 115.31 127.06 1br1 h LEU 612 Ca 0.23 0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 1br1 h LEU 612 Cb 0.58 0.17 0.02 0.00 0.37 0.00 0.00 40.66 41.80 1br1 h LEU 612 CO -0.04 -0.06 -0.71 -0.07 -0.34 0.00 0.00 178.44 177.22 1br1 h LEU 613 N 0.35 0.48 -0.01 2.25 3.38 -0.23 -3.28 115.31 118.23 1br1 h LEU 613 Ca 0.59 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1br1 h LEU 613 Cb 1.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1br1 h LEU 613 CO -0.57 1.31 0.64 -3.20 0.09 0.00 0.00 178.44 176.71 1br1 n ASN 614 N -4.18 0.00 -0.22 -0.43 2.85 0.83 0.47 115.26 114.58 1br1 n ASN 614 Ca -0.12 0.32 0.02 0.00 -0.11 0.00 0.00 54.58 54.68 1br1 n ASN 614 Cb 0.75 -0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.79 1br1 n ASN 614 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1br1 n GLN 615 N -1.78 0.60 -0.82 1.20 6.02 -1.18 -4.72 117.38 116.70 1br1 n GLN 615 Ca 0.00 -1.21 -0.33 0.00 -0.01 0.00 0.00 57.00 55.45 1br1 n GLN 615 Cb 0.64 -0.74 0.11 0.00 1.02 0.00 0.00 30.24 31.27 1br1 n GLN 615 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1br1 n SER 616 N -0.32 -2.71 -0.15 1.08 3.41 1.67 -4.90 113.62 111.71 1br1 n SER 616 Ca 0.03 0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.85 1br1 n SER 616 Cb 0.58 -1.12 0.09 0.00 -0.26 0.00 0.00 64.21 63.49 1br1 n SER 616 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1br1 h SER 617 N -1.50 0.89 -2.08 4.04 0.87 -0.68 -3.41 113.55 111.68 1br1 h SER 617 Ca -0.44 -0.26 -0.51 0.00 -1.23 0.00 0.00 61.79 59.35 1br1 h SER 617 Cb 1.29 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1br1 h SER 617 CO 0.33 0.99 1.34 -0.62 -0.53 0.00 0.00 176.83 178.34 1br1 s ASP 618 N -6.64 5.35 0.19 6.23 -1.08 -1.25 -4.89 116.67 114.58 1br1 s ASP 618 Ca -0.10 0.46 -0.15 0.00 -0.52 0.00 0.00 52.55 52.23 1br1 s ASP 618 Cb 0.14 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 1br1 s ASP 618 CO 0.84 -2.29 1.64 0.50 0.52 0.00 0.00 175.17 176.37 1br1 h LYS 619 N 14.69 -0.03 -0.50 4.34 3.64 -1.95 0.50 116.57 137.26 1br1 h LYS 619 Ca -0.27 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1br1 h LYS 619 Cb 1.16 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.89 1br1 h LYS 619 CO 1.20 -0.02 -0.14 0.35 -2.27 0.00 0.00 179.45 178.57 1br1 h PHE 620 N -0.03 -0.30 0.00 1.91 3.57 -1.97 1.31 116.94 121.44 1br1 h PHE 620 Ca 0.26 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1br1 h PHE 620 Cb 0.42 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1br1 h PHE 620 CO -0.47 -0.23 -0.20 0.28 -2.23 0.00 0.00 178.31 175.47 1br1 h VAL 621 N -0.01 0.69 0.33 1.41 2.07 -1.46 -0.96 116.25 118.31 1br1 h VAL 621 Ca 0.24 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1br1 h VAL 621 Cb 0.38 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1br1 h VAL 621 CO -0.52 0.19 -0.16 0.00 0.02 0.00 0.00 177.57 177.11 1br1 h ALA 622 N 1.80 -1.01 -0.29 1.67 0.00 0.63 -1.31 119.26 120.76 1br1 h ALA 622 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1br1 h ALA 622 Cb 0.51 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1br1 h ALA 622 CO 0.03 -0.98 0.19 -0.44 0.00 0.00 0.00 179.25 178.05 1br1 h ASP 623 N -0.48 0.24 -0.09 0.00 3.32 -0.09 1.14 116.42 120.46 1br1 h ASP 623 Ca -0.05 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1br1 h ASP 623 Cb 0.34 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1br1 h ASP 623 CO 0.07 0.16 -0.02 0.25 -1.72 0.00 0.00 179.24 177.99 1br1 h LEU 624 N 0.27 -0.08 -2.95 1.55 6.46 -1.11 -2.94 115.31 116.52 1br1 h LEU 624 Ca 0.12 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1br1 h LEU 624 Cb 0.13 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1br1 h LEU 624 CO -0.02 -0.03 0.00 0.79 -0.62 0.00 0.00 178.44 178.56 1br1 n TRP 625 N -5.13 0.98 -0.08 1.25 7.02 -0.50 -4.61 117.44 116.38 1br1 n TRP 625 Ca -0.05 -0.56 0.19 0.00 -1.02 0.00 0.00 57.50 56.06 1br1 n TRP 625 Cb 0.07 -0.11 0.63 0.00 -2.42 0.00 0.00 31.31 29.48 1br1 n TRP 625 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1br1 h LYS 626 N 3.38 0.14 -4.61 -0.99 2.10 0.15 -3.35 116.57 113.40 1br1 h LYS 626 Ca 0.00 -0.01 -0.70 0.00 -2.00 0.00 0.00 60.65 57.94 1br1 h LYS 626 Cb 1.10 -0.03 -0.23 0.00 -0.90 0.00 0.00 32.23 32.16 1br1 h LYS 626 CO 0.09 0.09 -0.50 0.16 -2.00 0.00 0.00 179.45 177.29 1br1 s ASP 627 N -6.06 5.80 0.00 7.07 -4.77 -1.26 -4.90 116.67 112.55 1br1 s ASP 627 Ca -0.06 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.32 1br1 s ASP 627 Cb 0.20 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.98 1br1 s ASP 627 CO 0.75 -0.36 0.00 0.52 0.70 0.00 0.00 175.17 176.78 1br1 n VAL 628 N 5.03 0.00 0.22 2.11 0.31 -1.26 -4.86 118.33 119.89 1br1 n VAL 628 Ca -0.12 -0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.18 1br1 n VAL 628 Cb 0.47 1.03 0.55 0.00 -0.91 0.00 0.00 33.84 34.97 1br1 n VAL 628 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1br1 h ASP 629 N 0.00 0.00 0.97 4.52 5.19 -1.94 -1.43 116.42 123.74 1br1 h ASP 629 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1br1 h ASP 629 Cb 0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1br1 h ASP 629 CO 0.00 0.00 -1.10 0.03 -3.12 0.00 0.00 179.24 175.05 1br1 h ARG 630 N 0.00 0.00 -5.56 3.56 3.08 -2.03 -3.48 114.38 109.96 1br1 h ARG 630 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1br1 h ARG 630 Cb 0.55 0.00 0.22 0.00 0.08 0.00 0.00 29.97 30.82 1br1 h ARG 630 CO 0.00 0.33 -1.83 -0.89 -1.07 0.00 0.00 179.97 176.51 1br1 n ILE 631 N -2.98 0.00 -4.35 2.04 2.08 -0.54 -4.78 119.36 110.82 1br1 n ILE 631 Ca -0.05 -0.41 -0.34 0.00 0.56 0.00 0.00 62.75 62.51 1br1 n ILE 631 Cb 0.79 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.54 1br1 n ILE 631 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1br1 s VAL 632 N -1.85 3.26 -0.41 1.39 1.01 -1.26 -4.98 120.40 117.56 1br1 s VAL 632 Ca 0.37 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1br1 s VAL 632 Cb -0.13 -2.43 0.22 0.00 0.00 0.00 0.00 36.38 34.04 1br1 s VAL 632 CO 0.75 0.48 0.48 0.61 0.00 0.00 0.00 175.10 177.43 1br1 n GLY 633 N 4.06 2.24 0.50 4.51 0.00 -1.26 -4.03 105.19 111.21 1br1 n GLY 633 Ca -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1br1 n GLY 633 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1br1 n LEU 634 N 2.04 0.00 0.00 0.99 7.94 -1.26 -4.58 117.00 122.13 1br1 n LEU 634 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1br1 n LEU 634 Cb 0.52 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.59 1br1 n LEU 634 CO 0.12 -0.12 0.00 0.33 -1.11 0.00 0.00 177.39 176.61 1br1 n PHE 656 N -1.51 0.00 -3.76 1.96 7.35 -1.26 -5.00 117.46 115.24 1br1 n PHE 656 Ca 0.00 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.34 1br1 n PHE 656 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1br1 n PHE 656 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1br1 s ARG 657 N 0.34 3.58 0.27 -4.13 6.06 -1.26 -5.08 118.95 118.73 1br1 s ARG 657 Ca 0.00 -0.07 -0.29 0.00 -2.50 0.00 0.00 55.73 52.87 1br1 s ARG 657 Cb 0.00 -3.08 -0.09 0.00 0.06 0.00 0.00 34.95 31.84 1br1 s ARG 657 CO 0.00 0.65 0.97 -0.08 -2.50 0.00 0.00 175.30 174.34 1br1 s THR 658 N -1.30 3.99 0.05 4.11 -1.32 -1.26 -4.90 115.64 115.01 1br1 s THR 658 Ca 0.27 1.91 -0.17 0.00 -1.21 0.00 0.00 61.69 62.49 1br1 s THR 658 Cb -0.13 -4.18 -0.07 0.00 -1.51 0.00 0.00 72.50 66.61 1br1 s THR 658 CO 0.16 0.38 1.28 0.58 -2.21 0.00 0.00 174.62 174.81 1br1 h VAL 659 N 2.99 0.00 -0.96 5.08 2.07 -1.83 0.75 116.25 124.35 1br1 h VAL 659 Ca -0.46 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.34 1br1 h VAL 659 Cb 1.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1br1 h VAL 659 CO 0.67 0.00 0.98 1.23 0.02 0.00 0.00 177.57 180.47 1br1 h GLY 660 N -0.37 0.00 0.00 2.17 0.00 -1.95 0.45 103.07 103.38 1br1 h GLY 660 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1br1 h GLY 660 CO -0.16 0.00 -2.05 -0.18 0.00 0.00 0.00 176.54 174.15 1br1 n GLN 661 N -3.53 0.69 -0.03 4.80 -0.06 -0.56 -2.21 117.38 116.48 1br1 n GLN 661 Ca 0.21 -0.14 -0.11 0.00 -2.00 0.00 0.00 57.00 54.96 1br1 n GLN 661 Cb 1.28 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 25.92 1br1 n GLN 661 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1br1 h LEU 662 N 0.00 0.18 0.00 1.69 5.85 0.50 -1.62 115.31 121.92 1br1 h LEU 662 Ca -0.14 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1br1 h LEU 662 Cb 1.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1br1 h LEU 662 CO 0.01 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1br1 n TYR 663 N -4.90 0.00 0.00 1.25 9.36 -0.15 -3.15 117.16 119.57 1br1 n TYR 663 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1br1 n TYR 663 Cb 0.11 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 1br1 n TYR 663 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1br1 n LYS 664 N -0.58 0.00 -0.09 2.98 0.00 -0.94 0.15 118.16 119.68 1br1 n LYS 664 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 1br1 n LYS 664 Cb 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 35.03 33.56 1br1 n LYS 664 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1br1 n GLU 665 N -0.65 0.64 0.12 1.64 4.07 -0.61 -4.12 120.64 121.74 1br1 n GLU 665 Ca 0.00 0.31 -0.02 0.00 -0.06 0.00 0.00 57.16 57.39 1br1 n GLU 665 Cb 0.29 -1.62 0.12 0.00 -0.06 0.00 0.00 31.44 30.17 1br1 n GLU 665 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1br1 h GLN 666 N -0.47 0.01 0.00 5.31 3.07 0.14 -2.70 115.11 120.47 1br1 h GLN 666 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1br1 h GLN 666 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.28 1br1 h GLN 666 CO -0.15 0.69 0.00 -0.11 0.09 0.00 0.00 178.83 179.34 1br1 n LEU 667 N -3.73 0.00 -0.01 0.06 7.94 -0.91 -0.55 117.00 119.80 1br1 n LEU 667 Ca -0.01 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.97 1br1 n LEU 667 Cb 0.67 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.49 1br1 n LEU 667 CO 0.43 0.00 -0.71 0.41 -1.11 0.00 0.00 177.39 176.41 1br1 n THR 668 N -0.98 0.03 0.20 1.96 -1.04 -1.02 -3.06 114.28 110.36 1br1 n THR 668 Ca 0.15 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 1br1 n THR 668 Cb 0.07 0.10 -0.06 0.00 -1.82 0.00 0.00 70.33 68.61 1br1 n THR 668 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1br1 h LYS 669 N 0.00 -0.53 0.17 -2.82 3.64 -0.76 -2.28 116.57 113.98 1br1 h LYS 669 Ca -0.01 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1br1 h LYS 669 Cb 0.79 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1br1 h LYS 669 CO 0.00 -0.25 -0.44 1.25 -2.27 0.00 0.00 179.45 177.74 1br1 h LEU 670 N -1.03 -1.30 -1.15 5.20 5.85 -1.32 0.13 115.31 121.69 1br1 h LEU 670 Ca -0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1br1 h LEU 670 Cb 0.53 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1br1 h LEU 670 CO 0.09 -0.52 0.39 -0.03 -0.34 0.00 0.00 178.44 178.03 1br1 h MET 671 N -0.71 0.00 0.02 1.25 4.05 -1.59 -1.72 114.93 116.23 1br1 h MET 671 Ca 0.01 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1br1 h MET 671 Cb 0.71 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1br1 h MET 671 CO -0.23 0.00 -0.44 1.15 0.23 0.00 0.00 176.91 177.63 1br1 h THR 672 N 0.00 1.54 -0.48 -0.77 2.02 -0.13 -3.21 112.91 111.88 1br1 h THR 672 Ca 0.00 -2.34 -0.11 0.00 0.77 0.00 0.00 66.41 64.73 1br1 h THR 672 Cb 0.78 3.10 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 1br1 h THR 672 CO 0.00 0.57 -0.12 0.71 0.37 0.00 0.00 175.52 177.05 1br1 h THR 673 N -0.88 1.26 -0.91 3.16 1.35 -0.96 -2.73 112.91 113.20 1br1 h THR 673 Ca -0.11 -1.24 0.08 0.00 -0.55 0.00 0.00 66.41 64.59 1br1 h THR 673 Cb 1.19 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 68.57 1br1 h THR 673 CO -0.02 0.43 0.59 -0.07 -0.25 0.00 0.00 175.52 176.20 1br1 h LEU 674 N 0.80 0.89 0.00 3.87 3.38 -1.58 0.34 115.31 123.01 1br1 h LEU 674 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1br1 h LEU 674 Cb 0.65 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1br1 h LEU 674 CO 0.05 0.55 0.00 0.54 0.09 0.00 0.00 178.44 179.67 1br1 n ARG 675 N -4.51 0.28 -0.14 1.13 1.74 -1.04 -2.35 116.66 111.77 1br1 n ARG 675 Ca 0.14 0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.37 1br1 n ARG 675 Cb 0.23 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.31 1br1 n ARG 675 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1br1 n ASN 676 N -1.30 2.72 -3.07 0.55 3.02 0.11 -5.00 115.26 112.30 1br1 n ASN 676 Ca 0.10 -1.88 -0.14 0.00 -0.03 0.00 0.00 54.58 52.63 1br1 n ASN 676 Cb 0.17 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1br1 n ASN 676 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1br1 n THR 677 N 0.57 0.00 -3.79 3.41 -2.24 -0.85 -4.87 114.28 106.51 1br1 n THR 677 Ca 0.11 -1.11 -0.37 0.00 -2.27 0.00 0.00 64.05 60.41 1br1 n THR 677 Cb 0.40 0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1br1 n THR 677 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1br1 s ASN 678 N -2.26 4.98 0.34 3.42 3.04 0.23 -4.90 114.94 119.79 1br1 s ASN 678 Ca 0.02 -0.57 -0.27 0.00 0.04 0.00 0.00 52.86 52.09 1br1 s ASN 678 Cb 0.00 -1.86 -0.09 0.00 -1.54 0.00 0.00 41.25 37.76 1br1 s ASN 678 CO 0.02 -0.13 1.07 -2.16 -3.04 0.00 0.00 177.10 172.85 1br1 s PRO 679 N 1.51 4.41 -0.25 0.43 0.04 -1.26 0.10 135.00 139.99 1br1 s PRO 679 Ca 0.04 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 1br1 s PRO 679 Cb -0.16 -2.87 0.08 0.00 0.04 0.00 0.00 34.50 31.59 1br1 s PRO 679 CO 0.02 0.05 0.09 -0.80 0.04 0.00 0.00 177.00 176.39 1br1 s ASN 680 N -1.23 3.29 -0.11 6.66 0.01 0.26 -4.87 114.94 118.95 1br1 s ASN 680 Ca 0.51 -1.13 -0.23 0.00 -0.71 0.00 0.00 52.86 51.30 1br1 s ASN 680 Cb -0.27 -0.53 -0.03 0.00 0.41 0.00 0.00 41.25 40.83 1br1 s ASN 680 CO 0.34 -0.38 0.69 -0.36 -1.51 0.00 0.00 177.10 175.88 1br1 s PHE 681 N 1.91 3.52 -0.65 2.20 0.08 -1.26 -0.76 117.98 123.02 1br1 s PHE 681 Ca 0.05 1.17 0.05 0.00 0.12 0.00 0.00 56.93 58.33 1br1 s PHE 681 Cb -0.17 -2.82 0.27 0.00 -0.57 0.00 0.00 43.02 39.74 1br1 s PHE 681 CO -0.21 0.01 0.84 0.28 -0.10 0.00 0.00 175.22 176.04 1br1 n VAL 682 N 4.05 2.71 -1.31 -0.44 0.31 -1.00 -2.82 118.33 119.83 1br1 n VAL 682 Ca -0.01 -5.35 -0.08 0.00 -0.01 0.00 0.00 64.34 58.89 1br1 n VAL 682 Cb 0.51 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 1br1 n VAL 682 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1br1 n ARG 683 N 0.59 0.07 -1.57 5.55 5.12 -1.06 -3.84 116.66 121.51 1br1 n ARG 683 Ca 0.30 -0.76 -0.38 0.00 -1.93 0.00 0.00 57.85 55.08 1br1 n ARG 683 Cb 0.40 -2.40 0.05 0.00 -1.16 0.00 0.00 32.46 29.35 1br1 n ARG 683 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1br1 s ILE 685 N -1.58 -0.07 0.08 0.00 1.01 -1.23 -4.00 121.20 115.41 1br1 s ILE 685 Ca 0.75 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.49 1br1 s ILE 685 Cb -0.42 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.83 1br1 s ILE 685 CO 0.48 0.18 1.12 -0.63 0.00 0.00 0.00 174.94 176.09 1br1 s ILE 686 N 2.08 4.16 0.01 2.92 -1.09 -1.26 -2.15 121.20 125.88 1br1 s ILE 686 Ca 0.04 1.64 0.05 0.00 -2.23 0.00 0.00 60.65 60.15 1br1 s ILE 686 Cb -0.12 -4.05 -0.24 0.00 -1.58 0.00 0.00 42.46 36.47 1br1 s ILE 686 CO -0.03 0.18 0.89 1.55 -1.23 0.00 0.00 174.94 176.29 1br1 h PRO 687 N 6.27 0.09 -2.31 2.79 0.13 -1.89 -3.42 132.00 133.67 1br1 h PRO 687 Ca -0.42 -0.16 0.11 0.00 -0.87 0.00 0.00 66.00 64.67 1br1 h PRO 687 Cb 1.21 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1br1 h PRO 687 CO 0.77 0.87 0.49 0.54 -0.23 0.00 0.00 178.00 180.43 1br1 s ASN 688 N -6.59 -0.35 0.00 1.44 2.20 -1.26 -0.97 114.94 109.41 1br1 s ASN 688 Ca -0.05 -0.05 0.23 0.00 -0.94 0.00 0.00 52.86 52.05 1br1 s ASN 688 Cb 0.08 0.40 0.15 0.00 -2.00 0.00 0.00 41.25 39.88 1br1 s ASN 688 CO 0.83 -0.66 1.18 1.41 -2.94 0.00 0.00 177.10 176.92 1br1 n HIS 689 N -0.28 0.00 1.90 1.54 8.25 -1.26 -4.06 115.22 121.31 1br1 n HIS 689 Ca -0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.49 1br1 n HIS 689 Cb 0.62 -0.03 0.66 0.00 1.12 0.00 0.00 29.99 32.36 1br1 n HIS 689 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1br1 n GLU 690 N -0.27 1.11 -2.38 -0.41 1.02 -1.26 -4.84 120.64 113.60 1br1 n GLU 690 Ca 0.09 -0.16 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 1br1 n GLU 690 Cb 0.43 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1br1 n GLU 690 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1br1 n LYS 691 N -0.70 -1.90 -3.66 3.49 4.81 -1.26 -4.93 118.16 114.03 1br1 n LYS 691 Ca 0.18 0.84 -0.38 0.00 -0.87 0.00 0.00 58.31 58.08 1br1 n LYS 691 Cb 0.12 -5.47 -0.06 0.00 0.02 0.00 0.00 35.03 29.64 1br1 n LYS 691 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1br1 s ARG 692 N -4.97 3.72 0.09 1.64 1.81 -1.26 -5.08 118.95 114.89 1br1 s ARG 692 Ca 0.00 0.19 -0.10 0.00 -1.72 0.00 0.00 55.73 54.10 1br1 s ARG 692 Cb 0.00 -3.21 -0.06 0.00 -0.45 0.00 0.00 34.95 31.23 1br1 s ARG 692 CO 0.00 0.73 0.42 0.00 -0.68 0.00 0.00 175.30 175.77 1br1 s ALA 693 N -1.06 3.71 0.00 2.13 0.00 -1.26 -3.92 121.76 121.35 1br1 s ALA 693 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1br1 s ALA 693 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1br1 s ALA 693 CO 0.10 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1br1 n GLY 694 N 0.82 2.50 3.71 0.00 0.00 -1.26 -4.98 105.19 105.98 1br1 n GLY 694 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1br1 n GLY 694 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br1 s LYS 695 N -0.01 4.18 -0.29 1.61 2.20 -1.25 -5.06 119.74 121.12 1br1 s LYS 695 Ca 0.00 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1br1 s LYS 695 Cb 0.00 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.95 1br1 s LYS 695 CO 0.00 0.20 0.10 -1.17 -0.36 0.00 0.00 175.35 174.12 1br1 s LEU 696 N 0.64 1.47 -0.21 5.43 2.96 -1.26 -4.44 118.68 123.27 1br1 s LEU 696 Ca 0.11 -1.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.34 1br1 s LEU 696 Cb -0.12 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1br1 s LEU 696 CO 0.02 -0.41 1.68 -0.62 -1.32 0.00 0.00 176.35 175.70 1br1 s ASP 697 N 1.83 6.31 0.07 3.68 -1.08 -0.15 -4.94 116.67 122.39 1br1 s ASP 697 Ca 0.08 1.68 -0.27 0.00 -0.52 0.00 0.00 52.55 53.52 1br1 s ASP 697 Cb -0.17 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.64 1br1 s ASP 697 CO -0.27 -1.31 1.43 0.00 0.52 0.00 0.00 175.17 175.55 1br1 h ALA 698 N 11.06 -0.97 -0.46 3.66 0.00 -1.87 -2.15 119.26 128.53 1br1 h ALA 698 Ca -0.35 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1br1 h ALA 698 Cb 1.16 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1br1 h ALA 698 CO 1.00 -1.04 -0.16 0.45 0.00 0.00 0.00 179.25 179.50 1br1 h HIS 699 N -0.67 0.98 -0.94 0.00 3.86 -1.92 0.25 115.15 116.71 1br1 h HIS 699 Ca -0.02 -0.21 0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1br1 h HIS 699 Cb 0.63 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 1br1 h HIS 699 CO -0.33 0.96 0.60 1.25 0.86 0.00 0.00 177.93 181.27 1br1 h LEU 700 N 0.77 0.85 0.00 2.43 6.46 -1.91 0.59 115.31 124.50 1br1 h LEU 700 Ca 0.12 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1br1 h LEU 700 Cb 0.69 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1br1 h LEU 700 CO 0.05 0.49 -0.40 0.58 -0.62 0.00 0.00 178.44 178.54 1br1 h VAL 701 N 0.94 0.00 0.04 1.05 2.07 -1.00 -3.09 116.25 116.25 1br1 h VAL 701 Ca 0.44 -0.65 -0.27 0.00 0.82 0.00 0.00 66.70 67.04 1br1 h VAL 701 Cb 0.43 1.41 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1br1 h VAL 701 CO -0.20 0.00 -1.10 0.25 0.02 0.00 0.00 177.57 176.54 1br1 h LEU 702 N 0.00 0.87 -0.09 2.57 5.85 0.35 -3.04 115.31 121.83 1br1 h LEU 702 Ca 0.00 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 57.98 1br1 h LEU 702 Cb 0.83 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1br1 h LEU 702 CO 0.00 1.53 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.55 1br1 h GLU 703 N 0.35 0.15 -0.55 1.25 4.22 -0.50 -2.79 114.58 116.70 1br1 h GLU 703 Ca -0.14 -0.05 0.10 0.00 0.08 0.00 0.00 59.36 59.35 1br1 h GLU 703 Cb 1.76 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.88 1br1 h GLU 703 CO 0.21 0.42 -0.29 1.96 -2.18 0.00 0.00 179.01 179.14 1br1 h GLN 704 N -0.14 -0.14 0.00 1.92 4.20 -1.62 2.84 115.11 122.17 1br1 h GLN 704 Ca 0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1br1 h GLN 704 Cb 0.36 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1br1 h GLN 704 CO 0.00 -0.09 0.00 1.28 -0.67 0.00 0.00 178.83 179.35 1br1 n LEU 705 N -5.43 0.00 -0.09 1.46 4.77 -1.15 -1.47 117.00 115.09 1br1 n LEU 705 Ca 0.04 0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1br1 n LEU 705 Cb 0.35 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1br1 n LEU 705 CO 0.03 -0.43 -0.58 0.54 -1.33 0.00 0.00 177.39 175.62 1br1 n ARG 706 N -1.47 0.51 0.00 3.23 1.74 0.92 -3.32 116.66 118.27 1br1 n ARG 706 Ca 0.01 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.63 1br1 n ARG 706 Cb 0.03 -1.64 0.39 0.00 -1.02 0.00 0.00 32.46 30.22 1br1 n ARG 706 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1br1 n ASN 708 N -1.48 0.59 -0.22 0.00 3.02 -0.54 -4.91 115.26 111.72 1br1 n ASN 708 Ca 0.05 -0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.32 1br1 n ASN 708 Cb 0.21 0.94 -0.00 0.00 -0.61 0.00 0.00 39.78 40.31 1br1 n ASN 708 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1br1 n GLY 709 N 1.37 0.37 0.25 7.41 0.00 -1.12 -4.98 105.19 108.49 1br1 n GLY 709 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1br1 n GLY 709 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1br1 h VAL 710 N 0.00 0.00 -0.65 1.61 2.07 -1.83 0.40 116.25 117.86 1br1 h VAL 710 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1br1 h VAL 710 Cb 0.75 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 1br1 h VAL 710 CO 0.06 0.00 -0.51 -0.07 0.02 0.00 0.00 177.57 177.07 1br1 h LEU 711 N -0.55 -1.79 -0.52 2.57 -0.00 -1.95 0.20 115.31 113.26 1br1 h LEU 711 Ca -0.04 0.27 0.06 0.00 -0.00 0.00 0.00 57.88 58.17 1br1 h LEU 711 Cb 0.46 0.78 -0.05 0.00 -0.00 0.00 0.00 40.66 41.85 1br1 h LEU 711 CO 0.01 -0.33 0.24 -0.33 -0.00 0.00 0.00 178.44 178.02 1br1 h GLU 712 N -0.22 0.45 0.00 1.13 3.07 -1.93 0.56 114.58 117.63 1br1 h GLU 712 Ca 0.15 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1br1 h GLU 712 Cb 0.54 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1br1 h GLU 712 CO -0.74 0.30 0.36 0.78 -1.40 0.00 0.00 179.01 178.31 1br1 h GLY 713 N 0.46 0.00 0.00 -3.84 0.00 0.29 -0.06 103.07 99.92 1br1 h GLY 713 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.31 1br1 h GLY 713 CO -0.20 0.00 -2.00 1.39 0.00 0.00 0.00 176.54 175.74 1br1 n ILE 714 N -2.30 1.00 -0.04 2.60 5.41 0.18 -4.44 119.36 121.76 1br1 n ILE 714 Ca -0.01 -0.61 -0.08 0.00 1.00 0.00 0.00 62.75 63.05 1br1 n ILE 714 Cb 0.38 -0.62 -0.02 0.00 -0.71 0.00 0.00 39.64 38.67 1br1 n ILE 714 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1br1 h ARG 715 N 0.00 -0.14 -0.32 0.38 3.08 0.82 -1.29 114.38 116.91 1br1 h ARG 715 Ca -0.39 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1br1 h ARG 715 Cb 1.89 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.96 1br1 h ARG 715 CO 0.02 -0.10 0.09 0.97 -1.07 0.00 0.00 179.97 179.88 1br1 h ILE 716 N -0.15 1.15 -0.01 2.04 6.09 -1.80 3.25 117.51 128.07 1br1 h ILE 716 Ca 0.13 -0.50 -0.05 0.00 -1.37 0.00 0.00 64.86 63.08 1br1 h ILE 716 Cb 0.34 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 1br1 h ILE 716 CO -0.31 0.18 -0.21 0.00 -3.07 0.00 0.00 178.15 174.74 1br1 n ARG 718 N -4.29 0.67 0.28 0.00 1.85 -0.25 -4.60 116.66 110.33 1br1 n ARG 718 Ca -0.02 0.34 -0.11 0.00 -1.00 0.00 0.00 57.85 57.05 1br1 n ARG 718 Cb 0.27 -1.67 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 1br1 n ARG 718 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1br1 h GLN 719 N -0.34 -0.70 0.00 2.89 1.08 0.61 -3.47 115.11 115.17 1br1 h GLN 719 Ca -0.45 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1br1 h GLN 719 Cb 1.77 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1br1 h GLN 719 CO -0.07 -0.47 0.00 0.41 -0.95 0.00 0.00 178.83 177.75 1br1 n GLY 720 N -0.58 -0.14 2.87 3.46 0.00 0.19 -5.01 105.19 105.98 1br1 n GLY 720 Ca -0.09 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 1br1 n GLY 720 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1br1 s PHE 721 N 0.27 3.34 -2.00 1.61 0.40 -1.26 -4.76 117.98 115.58 1br1 s PHE 721 Ca 0.00 -3.24 0.04 0.00 -0.60 0.00 0.00 56.93 53.13 1br1 s PHE 721 Cb 0.00 -2.59 0.23 0.00 0.51 0.00 0.00 43.02 41.16 1br1 s PHE 721 CO 0.00 -0.59 0.65 -2.30 0.70 0.00 0.00 175.22 173.68 1br1 n PRO 722 N 2.20 0.14 -4.91 0.24 -0.02 -1.25 -4.55 135.00 126.85 1br1 n PRO 722 Ca 0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.39 1br1 n PRO 722 Cb 0.35 -1.42 -0.16 0.00 -0.02 0.00 0.00 33.50 32.25 1br1 n PRO 722 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1br1 s ASN 723 N -1.98 2.38 0.02 2.55 0.01 -1.22 -5.05 114.94 111.65 1br1 s ASN 723 Ca 0.06 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 51.78 1br1 s ASN 723 Cb 0.03 -0.85 -0.01 0.00 0.41 0.00 0.00 41.25 40.83 1br1 s ASN 723 CO 0.04 0.14 0.03 0.00 -1.51 0.00 0.00 177.10 175.80 1br1 s ARG 724 N 0.21 0.39 -0.16 -0.60 1.70 -1.26 0.48 118.95 119.72 1br1 s ARG 724 Ca -0.09 -0.58 -0.11 0.00 -0.47 0.00 0.00 55.73 54.48 1br1 s ARG 724 Cb -0.14 0.15 0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1br1 s ARG 724 CO 0.04 -0.08 0.40 -1.50 -1.08 0.00 0.00 175.30 173.08 1br1 s ILE 725 N -1.60 -0.01 0.29 4.99 2.07 -0.06 -4.95 121.20 121.93 1br1 s ILE 725 Ca -0.14 0.05 -0.29 0.00 -1.41 0.00 0.00 60.65 58.86 1br1 s ILE 725 Cb -0.08 -0.57 -0.10 0.00 0.13 0.00 0.00 42.46 41.84 1br1 s ILE 725 CO -0.01 0.02 1.19 0.54 -1.91 0.00 0.00 174.94 174.78 1br1 s VAL 726 N 0.84 3.19 0.51 4.00 0.11 -1.26 0.41 120.40 128.20 1br1 s VAL 726 Ca -0.05 1.18 0.33 0.00 -2.93 0.00 0.00 61.98 60.51 1br1 s VAL 726 Cb -0.06 -3.75 0.49 0.00 -1.53 0.00 0.00 36.38 31.53 1br1 s VAL 726 CO -0.06 0.27 1.25 0.49 -3.33 0.00 0.00 175.10 173.71 1br1 n PHE 727 N 1.22 0.00 -0.04 1.54 3.72 -0.42 -1.40 117.46 122.07 1br1 n PHE 727 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1br1 n PHE 727 Cb 0.44 -0.32 -0.13 0.00 -0.94 0.00 0.00 39.48 38.52 1br1 n PHE 727 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1br1 h GLN 728 N 0.00 0.11 0.00 -1.08 5.75 -1.90 -3.10 115.11 114.89 1br1 h GLN 728 Ca 0.62 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.89 1br1 h GLN 728 Cb 2.93 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 31.55 1br1 h GLN 728 CO -0.01 1.09 -0.16 0.93 -2.65 0.00 0.00 178.83 178.03 1br1 h GLU 729 N -0.67 0.00 -0.00 1.69 3.07 -1.62 -1.58 114.58 115.47 1br1 h GLU 729 Ca -0.26 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 1br1 h GLU 729 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1br1 h GLU 729 CO -0.04 0.16 -0.02 0.35 -1.40 0.00 0.00 179.01 178.06 1br1 h PHE 730 N 0.00 0.03 0.00 4.33 3.04 -1.56 0.76 116.94 123.54 1br1 h PHE 730 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1br1 h PHE 730 Cb 0.40 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.90 1br1 h PHE 730 CO 0.00 0.71 0.00 -2.13 -2.02 0.00 0.00 178.31 174.87 1br1 n ARG 731 N -4.73 0.44 -0.10 1.11 3.00 -1.13 -2.64 116.66 112.60 1br1 n ARG 731 Ca -0.09 0.05 -0.16 0.00 -0.00 0.00 0.00 57.85 57.65 1br1 n ARG 731 Cb 0.35 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.25 1br1 n ARG 731 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1br1 n GLN 732 N -1.13 0.53 0.04 -0.14 -0.06 -0.61 -4.03 117.38 111.98 1br1 n GLN 732 Ca 0.12 0.41 -0.13 0.00 -2.00 0.00 0.00 57.00 55.40 1br1 n GLN 732 Cb 0.10 -1.61 -0.09 0.00 -4.06 0.00 0.00 30.24 24.59 1br1 n GLN 732 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1br1 h ARG 733 N -1.00 -0.11 -0.95 3.69 2.43 -0.80 -3.35 114.38 114.30 1br1 h ARG 733 Ca -0.26 0.01 -0.46 0.00 -0.81 0.00 0.00 59.98 58.46 1br1 h ARG 733 Cb 1.08 0.02 -0.27 0.00 -0.42 0.00 0.00 29.97 30.38 1br1 h ARG 733 CO -0.15 0.22 0.58 0.66 -1.51 0.00 0.00 179.97 179.77 1br1 n TYR 734 N -4.98 2.95 0.08 2.20 4.01 -1.08 -4.41 117.16 115.92 1br1 n TYR 734 Ca -0.08 -1.73 -0.09 0.00 -0.16 0.00 0.00 57.90 55.84 1br1 n TYR 734 Cb 0.20 -0.90 -0.06 0.00 -0.31 0.00 0.00 39.34 38.28 1br1 n TYR 734 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1br1 h GLU 735 N 1.32 0.14 0.00 -0.72 4.81 -1.70 -2.97 114.58 115.46 1br1 h GLU 735 Ca 0.57 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1br1 h GLU 735 Cb 2.77 0.06 0.00 0.00 0.63 0.00 0.00 28.75 32.21 1br1 h GLU 735 CO 1.03 1.00 0.25 0.97 -0.73 0.00 0.00 179.01 181.54 1br1 h ILE 736 N 0.06 0.00 0.22 2.32 2.10 -1.86 0.35 117.51 120.71 1br1 h ILE 736 Ca -0.05 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.56 1br1 h ILE 736 Cb 1.66 0.52 0.03 0.00 -1.09 0.00 0.00 36.82 37.93 1br1 h ILE 736 CO 0.14 0.00 -1.51 -0.07 -1.08 0.00 0.00 178.15 175.63 1br1 h LEU 737 N 0.00 0.73 -7.08 2.19 3.38 -1.85 -3.40 115.31 109.28 1br1 h LEU 737 Ca 0.00 -0.84 -0.62 0.00 0.09 0.00 0.00 57.88 56.51 1br1 h LEU 737 Cb 0.50 -0.24 -0.41 0.00 0.09 0.00 0.00 40.66 40.60 1br1 h LEU 737 CO 0.00 1.67 -0.68 0.00 0.09 0.00 0.00 178.44 179.52 1br1 s ALA 738 N -2.60 2.94 0.12 1.53 0.00 0.12 -4.94 121.76 118.93 1br1 s ALA 738 Ca -0.10 -3.17 0.33 0.00 0.00 0.00 0.00 51.96 49.02 1br1 s ALA 738 Cb 0.05 -2.03 1.33 0.00 0.00 0.00 0.00 23.12 22.47 1br1 s ALA 738 CO 0.92 -2.05 1.97 0.00 0.00 0.00 0.00 175.76 176.60 1br1 h ALA 739 N 6.15 1.01 0.00 0.00 0.00 -1.75 -3.22 119.26 121.45 1br1 h ALA 739 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1br1 h ALA 739 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1br1 h ALA 739 CO 0.61 0.03 -0.04 0.09 0.00 0.00 0.00 179.25 179.94 1br1 n ASN 740 N -3.14 1.98 0.12 0.00 3.02 -1.26 -4.66 115.26 111.32 1br1 n ASN 740 Ca 0.00 -2.62 -0.23 0.00 -0.03 0.00 0.00 54.58 51.70 1br1 n ASN 740 Cb 0.32 -0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 39.06 1br1 n ASN 740 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1br1 h ALA 741 N 0.00 -0.14 -2.96 5.41 0.00 -1.94 -3.43 119.26 116.20 1br1 h ALA 741 Ca 0.00 -0.81 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 1br1 h ALA 741 Cb 0.89 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1br1 h ALA 741 CO 0.00 0.60 -0.30 0.42 0.00 0.00 0.00 179.25 179.97 1br1 s ILE 742 N -2.57 5.26 1.03 0.00 1.09 -1.26 -4.75 121.20 120.00 1br1 s ILE 742 Ca -0.10 0.55 -0.11 0.00 -1.10 0.00 0.00 60.65 59.88 1br1 s ILE 742 Cb 0.03 -3.65 0.21 0.00 -1.06 0.00 0.00 42.46 37.99 1br1 s ILE 742 CO 0.91 0.30 1.09 -2.84 -0.10 0.00 0.00 174.94 174.31 1br1 s PRO 743 N 1.09 0.11 0.45 2.79 0.02 -1.26 -4.91 135.00 133.29 1br1 s PRO 743 Ca 0.16 1.24 0.14 0.00 0.02 0.00 0.00 61.00 62.56 1br1 s PRO 743 Cb -0.14 -1.64 1.06 0.00 0.02 0.00 0.00 34.50 33.79 1br1 s PRO 743 CO 0.06 -3.15 2.01 -0.22 -0.33 0.00 0.00 177.00 175.37 1br1 h LYS 744 N -2.23 0.34 -7.53 5.54 3.64 -1.97 -3.43 116.57 110.93 1br1 h LYS 744 Ca -0.51 -0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 58.40 1br1 h LYS 744 Cb 1.30 -0.08 0.16 0.00 -0.41 0.00 0.00 32.23 33.20 1br1 h LYS 744 CO 0.45 0.23 0.27 0.20 -2.27 0.00 0.00 179.45 178.33 1br1 s GLY 745 N -3.82 1.62 0.56 5.01 0.00 -1.26 -5.06 107.32 104.36 1br1 s GLY 745 Ca -0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1br1 s GLY 745 CO 0.74 -0.08 0.53 0.69 0.00 0.00 0.00 173.10 174.98 1br1 n PHE 746 N -4.06 -3.51 0.00 1.90 3.72 -1.26 -5.09 117.46 109.15 1br1 n PHE 746 Ca 0.10 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1br1 n PHE 746 Cb 0.59 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1br1 n PHE 746 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1br1 n MET 747 N -2.95 0.00 -1.66 -1.08 1.56 -1.26 -4.95 117.12 106.79 1br1 n MET 747 Ca 0.07 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.07 1br1 n MET 747 Cb 0.28 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.61 1br1 n MET 747 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1br1 n ASP 748 N 0.00 4.03 -0.26 6.12 2.03 -1.26 -4.75 116.55 122.45 1br1 n ASP 748 Ca 0.00 0.86 -0.06 0.00 0.52 0.00 0.00 54.79 56.11 1br1 n ASP 748 Cb 0.00 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 38.84 1br1 n ASP 748 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1br1 n GLY 749 N 4.63 -1.60 0.00 0.27 0.00 -1.26 0.12 105.19 107.35 1br1 n GLY 749 Ca 0.21 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1br1 n GLY 749 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1br1 n LYS 750 N -4.83 0.00 -0.34 1.61 4.81 -1.26 -1.47 118.16 116.68 1br1 n LYS 750 Ca 0.02 0.10 0.04 0.00 -0.87 0.00 0.00 58.31 57.61 1br1 n LYS 750 Cb 0.18 -0.84 0.11 0.00 0.02 0.00 0.00 35.03 34.50 1br1 n LYS 750 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1br1 n GLN 751 N -0.44 -0.11 0.03 1.64 0.00 -1.03 0.73 117.38 118.20 1br1 n GLN 751 Ca 0.00 1.44 0.20 0.00 -0.00 0.00 0.00 57.00 58.64 1br1 n GLN 751 Cb 0.00 -2.14 0.72 0.00 0.00 0.00 0.00 30.24 28.81 1br1 n GLN 751 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1br1 h ALA 752 N 1.71 2.36 0.00 1.69 0.00 0.96 -0.43 119.26 125.56 1br1 h ALA 752 Ca 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1br1 h ALA 752 Cb 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1br1 h ALA 752 CO -0.94 -0.63 -1.55 0.00 0.00 0.00 0.00 179.25 176.13 1br1 h ILE 754 N 0.00 0.63 0.58 0.00 5.03 0.33 -2.43 117.51 121.65 1br1 h ILE 754 Ca -0.04 -0.81 -0.03 0.00 -0.12 0.00 0.00 64.86 63.86 1br1 h ILE 754 Cb 1.12 1.52 0.01 0.00 -3.03 0.00 0.00 36.82 36.44 1br1 h ILE 754 CO 0.01 0.18 -0.28 -0.07 -0.68 0.00 0.00 178.15 177.30 1br1 h LEU 755 N 0.00 -0.66 0.00 1.44 4.07 -1.52 -2.43 115.31 116.21 1br1 h LEU 755 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1br1 h LEU 755 Cb 0.51 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1br1 h LEU 755 CO 0.02 -0.38 0.00 1.15 -1.08 0.00 0.00 178.44 178.16 1br1 n MET 756 N -5.37 0.08 0.05 1.13 0.00 -0.95 -0.75 117.12 111.31 1br1 n MET 756 Ca -0.12 0.26 -0.10 0.00 0.00 0.00 0.00 57.70 57.74 1br1 n MET 756 Cb 0.34 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.93 1br1 n MET 756 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1br1 h ILE 757 N 0.00 1.44 0.00 3.17 2.04 -1.06 -3.00 117.51 120.10 1br1 h ILE 757 Ca 0.00 -3.15 -0.15 0.00 1.00 0.00 0.00 64.86 62.56 1br1 h ILE 757 Cb 0.10 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1br1 h ILE 757 CO 0.00 0.86 -0.72 0.11 0.00 0.00 0.00 178.15 178.39 1br1 h LYS 758 N 0.02 0.00 0.00 2.37 1.79 -0.71 -2.43 116.57 117.61 1br1 h LYS 758 Ca -0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1br1 h LYS 758 Cb 1.88 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1br1 h LYS 758 CO 0.14 0.72 -0.08 0.00 -1.08 0.00 0.00 179.45 179.15 1br1 h ALA 759 N 1.28 1.11 -0.04 3.86 0.00 -1.19 -1.07 119.26 123.21 1br1 h ALA 759 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1br1 h ALA 759 Cb 1.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1br1 h ALA 759 CO 0.09 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1br1 n LEU 760 N -3.35 2.50 -4.16 0.00 4.77 -1.10 -4.96 117.00 110.71 1br1 n LEU 760 Ca -0.01 -1.03 -0.35 0.00 -0.03 0.00 0.00 56.01 54.58 1br1 n LEU 760 Cb 0.26 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1br1 n LEU 760 CO 0.28 0.45 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.16 1br1 n GLU 761 N 0.99 -3.37 -1.80 3.23 1.02 -0.41 -4.86 120.64 115.45 1br1 n GLU 761 Ca 0.11 0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 57.23 1br1 n GLU 761 Cb 0.44 -5.14 -0.01 0.00 -0.02 0.00 0.00 31.44 26.71 1br1 n GLU 761 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1br1 s LEU 762 N -7.23 4.34 0.15 -4.62 2.01 -1.08 -4.92 118.68 107.32 1br1 s LEU 762 Ca 0.73 2.98 -0.31 0.00 0.01 0.00 0.00 54.13 57.54 1br1 s LEU 762 Cb -0.40 -3.65 -0.08 0.00 0.01 0.00 0.00 46.19 42.07 1br1 s LEU 762 CO 0.90 -0.88 1.38 -0.62 1.01 0.00 0.00 176.35 178.13 1br1 s ASP 763 N 0.20 6.82 0.00 2.29 -1.08 -1.26 -4.84 116.67 118.80 1br1 s ASP 763 Ca 0.58 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.99 1br1 s ASP 763 Cb -0.47 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.40 1br1 s ASP 763 CO 0.54 -0.63 0.08 -0.81 0.52 0.00 0.00 175.17 174.88 1br1 n PRO 764 N 3.50 0.11 0.00 4.34 -0.04 -1.26 -0.80 135.00 140.85 1br1 n PRO 764 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1br1 n PRO 764 Cb 0.42 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1br1 n PRO 764 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1br1 n ASN 765 N 0.66 0.52 0.03 3.54 2.85 -1.26 -4.72 115.26 116.87 1br1 n ASN 765 Ca 0.00 -0.19 -0.19 0.00 -0.11 0.00 0.00 54.58 54.09 1br1 n ASN 765 Cb 0.04 0.49 -0.14 0.00 1.24 0.00 0.00 39.78 41.40 1br1 n ASN 765 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1br1 h LEU 766 N 0.00 0.38-10.46 1.20 3.38 -1.35 -3.46 115.31 104.99 1br1 h LEU 766 Ca 0.00 -0.95 -0.50 0.00 0.09 0.00 0.00 57.88 56.51 1br1 h LEU 766 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1br1 h LEU 766 CO 0.00 1.33 -0.22 -0.72 0.09 0.00 0.00 178.44 178.93 1br1 s TYR 767 N -2.39 1.89 -0.28 1.13 -0.85 -1.24 0.29 117.35 115.89 1br1 s TYR 767 Ca -0.15 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 55.74 1br1 s TYR 767 Cb 0.00 -2.16 0.17 0.00 0.38 0.00 0.00 41.96 40.36 1br1 s TYR 767 CO 0.80 -0.71 0.50 1.03 -1.52 0.00 0.00 175.55 175.65 1br1 s ARG 768 N -4.44 0.47 0.18 -3.49 3.00 0.14 -4.91 118.95 109.91 1br1 s ARG 768 Ca 0.52 0.64 -0.30 0.00 0.00 0.00 0.00 55.73 56.59 1br1 s ARG 768 Cb -0.05 0.05 -0.08 0.00 0.00 0.00 0.00 34.95 34.87 1br1 s ARG 768 CO 0.32 -0.77 1.17 0.42 0.00 0.00 0.00 175.30 176.44 1br1 s ILE 769 N 2.71 3.67 0.00 1.52 -1.09 -1.26 0.11 121.20 126.86 1br1 s ILE 769 Ca 0.15 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1br1 s ILE 769 Cb -0.14 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1br1 s ILE 769 CO -0.22 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1br1 n GLY 770 N 2.15 4.16 0.10 6.18 0.00 -0.53 -4.72 105.19 112.53 1br1 n GLY 770 Ca 0.04 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 1br1 n GLY 770 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1br1 n GLN 771 N 0.00 0.54 -0.00 1.61 0.00 -1.00 -4.74 117.38 113.79 1br1 n GLN 771 Ca 0.00 0.55 0.01 0.00 -0.00 0.00 0.00 57.00 57.56 1br1 n GLN 771 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 30.24 28.50 1br1 n GLN 771 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1br1 n SER 772 N -4.47 4.28 -4.29 1.69 3.41 -1.26 -4.99 113.62 107.99 1br1 n SER 772 Ca -0.27 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.18 1br1 n SER 772 Cb 0.59 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.55 1br1 n SER 772 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1br1 s LYS 773 N -2.21 1.22 -0.08 4.33 -2.85 -1.26 -1.30 119.74 117.60 1br1 s LYS 773 Ca -0.01 -1.59 -0.02 0.00 -1.00 0.00 0.00 55.97 53.34 1br1 s LYS 773 Cb 0.02 -0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.20 1br1 s LYS 773 CO 0.13 -0.06 0.04 0.42 0.10 0.00 0.00 175.35 175.98 1br1 s ILE 774 N -3.43 4.59 -0.36 3.79 1.01 0.17 -1.46 121.20 125.50 1br1 s ILE 774 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1br1 s ILE 774 Cb 0.05 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.60 1br1 s ILE 774 CO 0.06 0.57 0.16 -0.36 0.00 0.00 0.00 174.94 175.36 1br1 s PHE 775 N -0.96 3.28 0.51 3.97 0.40 0.30 -0.88 117.98 124.61 1br1 s PHE 775 Ca 0.15 -1.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.10 1br1 s PHE 775 Cb -0.12 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 40.96 1br1 s PHE 775 CO 0.04 -0.75 0.72 -0.06 0.70 0.00 0.00 175.22 175.87 1br1 s PHE 776 N 1.42 2.88 0.28 0.36 0.08 0.18 0.27 117.98 123.45 1br1 s PHE 776 Ca 0.00 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1br1 s PHE 776 Cb -0.20 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 1br1 s PHE 776 CO 0.03 -0.72 0.46 0.50 -0.10 0.00 0.00 175.22 175.39 1br1 s ARG 777 N -4.65 3.49 0.24 0.44 6.06 0.14 -3.38 118.95 121.29 1br1 s ARG 777 Ca 0.56 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 53.08 1br1 s ARG 777 Cb -0.10 -2.76 -0.15 0.00 0.06 0.00 0.00 34.95 32.00 1br1 s ARG 777 CO 0.37 0.28 1.04 2.41 -2.50 0.00 0.00 175.30 176.91 1br1 n THR 778 N -1.36 1.54 0.00 4.11 -1.04 -1.26 -1.51 114.28 114.76 1br1 n THR 778 Ca -0.06 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1br1 n THR 778 Cb 0.56 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1br1 n THR 778 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1br1 n GLY 779 N 1.61 2.21 0.37 3.41 0.00 -1.26 -4.79 105.19 106.74 1br1 n GLY 779 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1br1 n GLY 779 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1br1 h VAL 780 N 0.00 0.92 0.00 1.61 2.07 -1.66 -0.84 116.25 118.34 1br1 h VAL 780 Ca 0.00 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 1br1 h VAL 780 Cb 0.00 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1br1 h VAL 780 CO 0.00 0.17 -0.79 0.25 0.02 0.00 0.00 177.57 177.22 1br1 h LEU 781 N 0.92 0.00 -0.16 2.57 5.85 -1.87 -3.12 115.31 119.51 1br1 h LEU 781 Ca 0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 1br1 h LEU 781 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1br1 h LEU 781 CO -0.24 0.79 0.09 0.00 -0.34 0.00 0.00 178.44 178.74 1br1 h ALA 782 N 1.21 0.20 -0.79 1.25 0.00 -1.54 -1.15 119.26 118.44 1br1 h ALA 782 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1br1 h ALA 782 Cb 1.51 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1br1 h ALA 782 CO 0.10 -0.26 0.42 1.25 0.00 0.00 0.00 179.25 180.77 1br1 h HIS 783 N 0.16 1.09 -0.84 0.00 -0.00 -1.49 -0.42 115.15 113.66 1br1 h HIS 783 Ca 0.06 -0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1br1 h HIS 783 Cb 0.07 -0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 27.09 1br1 h HIS 783 CO -0.04 0.77 0.55 -0.07 -0.00 0.00 0.00 177.93 179.14 1br1 h LEU 784 N 1.10 0.94 -0.18 0.26 -0.00 -1.42 -1.69 115.31 114.32 1br1 h LEU 784 Ca 0.28 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 1br1 h LEU 784 Cb 0.05 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1br1 h LEU 784 CO -0.04 0.66 0.03 -0.08 -0.00 0.00 0.00 178.44 179.01 1br1 h GLU 785 N 1.10 0.29 -0.06 1.13 4.57 -0.55 -2.82 114.58 118.24 1br1 h GLU 785 Ca 0.32 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1br1 h GLU 785 Cb -0.07 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1br1 h GLU 785 CO -0.09 0.45 -0.21 1.49 -1.18 0.00 0.00 179.01 179.47 1br1 h GLU 786 N 0.08 -0.21 -0.97 1.92 4.81 -0.62 -0.81 114.58 118.79 1br1 h GLU 786 Ca 0.05 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1br1 h GLU 786 Cb 0.30 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.60 1br1 h GLU 786 CO 0.00 -0.14 -0.53 0.39 -0.73 0.00 0.00 179.01 178.01 1br1 n GLU 787 N -3.67 -0.38 -0.35 1.92 -0.58 -0.68 0.19 120.64 117.09 1br1 n GLU 787 Ca -0.02 1.48 0.11 0.00 -0.42 0.00 0.00 57.16 58.31 1br1 n GLU 787 Cb 0.14 -2.18 0.30 0.00 -0.57 0.00 0.00 31.44 29.13 1br1 n GLU 787 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1br1 h ARG 788 N 0.00 0.80 0.00 3.49 2.43 -1.20 0.44 114.38 120.33 1br1 h ARG 788 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1br1 h ARG 788 Cb 0.44 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1br1 h ARG 788 CO -0.93 0.53 0.00 -0.44 -1.51 0.00 0.00 179.97 177.62 1br1 h ASP 789 N 0.82 0.00 0.06 -3.80 5.19 0.12 -2.57 116.42 116.25 1br1 h ASP 789 Ca 0.56 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.72 1br1 h ASP 789 Cb 0.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 1br1 h ASP 789 CO -0.35 0.00 -1.28 -0.07 -3.12 0.00 0.00 179.24 174.41 1br1 h LEU 790 N 0.00 0.20 -1.62 1.55 4.07 0.74 -2.69 115.31 117.56 1br1 h LEU 790 Ca 0.00 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.21 1br1 h LEU 790 Cb 0.47 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1br1 h LEU 790 CO 0.00 1.54 0.27 0.11 -1.08 0.00 0.00 178.44 179.28 1br1 h LYS 791 N -0.59 0.00 0.00 1.13 1.79 -0.03 -2.16 116.57 116.71 1br1 h LYS 791 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1br1 h LYS 791 Cb 1.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1br1 h LYS 791 CO -0.04 0.00 0.00 0.44 -1.08 0.00 0.00 179.45 178.77 1br1 n ILE 792 N -2.56 0.00 0.01 1.86 -5.35 -0.99 -4.85 119.36 107.48 1br1 n ILE 792 Ca -0.02 -0.48 -0.08 0.00 -0.27 0.00 0.00 62.75 61.90 1br1 n ILE 792 Cb 0.31 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 1br1 n ILE 792 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1br1 h THR 793 N 0.02 0.00 -0.93 7.28 2.02 -1.03 -0.86 112.91 119.42 1br1 h THR 793 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1br1 h THR 793 Cb 0.01 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.31 1br1 h THR 793 CO 0.00 0.00 -0.57 -2.24 0.37 0.00 0.00 175.52 173.08 1br1 h ASP 794 N -0.34 -2.09 -0.65 4.18 3.04 -1.89 0.83 116.42 119.50 1br1 h ASP 794 Ca 0.01 0.31 0.14 0.00 -3.24 0.00 0.00 57.03 54.25 1br1 h ASP 794 Cb 0.38 0.92 -0.12 0.00 -1.04 0.00 0.00 39.33 39.47 1br1 h ASP 794 CO -0.22 -0.24 -0.09 0.58 -2.04 0.00 0.00 179.24 177.23 1br1 h VAL 795 N -0.03 0.39 -0.18 4.15 2.07 -1.84 1.80 116.25 122.60 1br1 h VAL 795 Ca 0.15 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1br1 h VAL 795 Cb 0.41 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1br1 h VAL 795 CO -0.89 0.01 0.01 0.40 0.02 0.00 0.00 177.57 177.12 1br1 h ILE 796 N 0.04 0.88 -0.41 4.57 1.08 0.12 0.62 117.51 124.42 1br1 h ILE 796 Ca 0.33 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.85 1br1 h ILE 796 Cb 0.53 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 35.01 1br1 h ILE 796 CO -0.63 0.01 -0.04 0.40 -0.69 0.00 0.00 178.15 177.20 1br1 h ILE 797 N 0.07 0.65 0.36 -0.67 2.04 0.57 0.85 117.51 121.38 1br1 h ILE 797 Ca 0.08 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1br1 h ILE 797 Cb 0.10 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1br1 h ILE 797 CO -0.14 0.01 -0.46 0.00 0.00 0.00 0.00 178.15 177.56 1br1 h ALA 798 N 1.38 -0.98 0.07 1.87 0.00 0.38 -2.57 119.26 119.42 1br1 h ALA 798 Ca 0.20 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1br1 h ALA 798 Cb 0.30 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1br1 h ALA 798 CO -0.37 -1.10 -0.17 0.35 0.00 0.00 0.00 179.25 177.96 1br1 h PHE 799 N -0.86 -0.44 -0.98 0.00 3.57 0.82 -2.36 116.94 116.69 1br1 h PHE 799 Ca -0.03 0.01 0.32 0.00 3.53 0.00 0.00 57.97 61.80 1br1 h PHE 799 Cb 0.79 0.19 -0.17 0.00 2.79 0.00 0.00 35.95 39.54 1br1 h PHE 799 CO -0.29 -0.25 0.26 1.96 -2.23 0.00 0.00 178.31 177.76 1br1 h GLN 800 N -0.32 0.05 0.15 1.11 4.20 0.89 -0.97 115.11 120.23 1br1 h GLN 800 Ca 0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1br1 h GLN 800 Cb 0.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1br1 h GLN 800 CO -0.11 0.03 -0.18 0.00 -0.67 0.00 0.00 178.83 177.90 1br1 h ALA 801 N 1.95 -0.86 -1.27 3.87 0.00 -1.01 -1.73 119.26 120.22 1br1 h ALA 801 Ca 0.68 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.92 1br1 h ALA 801 Cb 1.58 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 1br1 h ALA 801 CO -0.81 -0.87 0.84 1.96 0.00 0.00 0.00 179.25 180.36 1br1 h GLN 802 N -0.34 0.16 -0.14 0.00 1.08 -1.19 0.71 115.11 115.38 1br1 h GLN 802 Ca -0.02 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1br1 h GLN 802 Cb 0.31 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1br1 h GLN 802 CO -0.04 0.10 0.02 0.00 -0.95 0.00 0.00 178.83 177.97 1br1 h ARG 804 N 0.02 0.57 0.00 0.00 3.08 0.11 1.02 114.38 119.17 1br1 h ARG 804 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1br1 h ARG 804 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1br1 h ARG 804 CO 0.00 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 1br1 n GLY 805 N -1.16 -2.46 0.14 0.04 0.00 0.10 -1.08 105.19 100.77 1br1 n GLY 805 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1br1 n GLY 805 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1br1 h TYR 806 N 0.00 -0.61 0.00 1.61 5.03 0.10 0.95 116.97 124.05 1br1 h TYR 806 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1br1 h TYR 806 Cb 0.00 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.58 1br1 h TYR 806 CO 0.13 -0.14 0.68 1.25 -1.32 0.00 0.00 178.16 178.76 1br1 h LEU 807 N -0.05 0.00 0.00 2.82 6.46 0.10 -2.65 115.31 121.99 1br1 h LEU 807 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1br1 h LEU 807 Cb 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1br1 h LEU 807 CO -0.27 0.00 -0.45 0.00 -0.62 0.00 0.00 178.44 177.10 1br1 n ALA 808 N -1.57 0.40 -0.48 1.25 0.00 0.31 -3.81 120.51 116.62 1br1 n ALA 808 Ca -0.01 -0.45 0.39 0.00 0.00 0.00 0.00 53.44 53.37 1br1 n ALA 808 Cb 0.70 0.01 0.68 0.00 0.00 0.00 0.00 19.45 20.84 1br1 n ALA 808 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1br1 h ARG 809 N -0.57 0.06 0.04 0.00 -0.00 -0.75 -1.18 114.38 111.98 1br1 h ARG 809 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1br1 h ARG 809 Cb 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1br1 h ARG 809 CO 0.00 0.04 -0.02 0.87 -0.00 0.00 0.00 179.97 180.86 1br1 h LYS 810 N 0.06 -0.05 0.00 0.08 1.79 -1.70 -2.41 116.57 114.34 1br1 h LYS 810 Ca 0.83 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 1br1 h LYS 810 Cb 2.74 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 33.40 1br1 h LYS 810 CO -0.36 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 178.57 1br1 n ALA 811 N -2.49 1.62 -0.10 3.86 0.00 -0.49 -2.27 120.51 120.64 1br1 n ALA 811 Ca -0.09 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 1br1 n ALA 811 Cb 0.32 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 1br1 n ALA 811 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1br1 h PHE 812 N 0.00 0.00 0.00 0.00 3.57 -1.50 -3.26 116.94 115.75 1br1 h PHE 812 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1br1 h PHE 812 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1br1 h PHE 812 CO 0.00 1.41 0.00 0.00 -2.23 0.00 0.00 178.31 177.49 1br1 n ALA 813 N -3.30 1.65 -0.12 2.41 0.00 -0.91 -1.13 120.51 119.11 1br1 n ALA 813 Ca -0.29 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 1br1 n ALA 813 Cb 0.65 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1br1 n ALA 813 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1br1 n LYS 814 N -0.68 0.57 0.16 0.00 -0.00 -0.96 -4.13 118.16 113.12 1br1 n LYS 814 Ca 0.01 0.32 0.10 0.00 -0.00 0.00 0.00 58.31 58.73 1br1 n LYS 814 Cb 0.01 -1.53 0.51 0.00 -0.00 0.00 0.00 35.03 34.02 1br1 n LYS 814 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1br1 n ARG 815 N -4.33 0.12 0.11 -1.58 3.00 -0.28 0.30 116.66 114.01 1br1 n ARG 815 Ca -0.43 0.61 -0.04 0.00 -0.00 0.00 0.00 57.85 58.00 1br1 n ARG 815 Cb 0.78 -2.00 0.11 0.00 0.00 0.00 0.00 32.46 31.35 1br1 n ARG 815 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1br1 h GLN 816 N 0.00 0.08 -0.04 -0.14 4.15 -1.65 -2.85 115.11 114.65 1br1 h GLN 816 Ca 0.00 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 1br1 h GLN 816 Cb 0.18 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1br1 h GLN 816 CO 0.00 0.73 -0.65 -0.56 -1.93 0.00 0.00 178.83 176.42 1br1 h GLN 817 N 0.05 0.52 0.00 1.69 3.07 -0.32 0.35 115.11 120.47 1br1 h GLN 817 Ca -0.01 -0.50 -0.01 0.00 0.09 0.00 0.00 58.65 58.21 1br1 h GLN 817 Cb 1.21 0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.90 1br1 h GLN 817 CO 0.09 1.14 -0.06 -0.56 0.09 0.00 0.00 178.83 179.53 1br1 h GLN 818 N 0.10 0.00 0.00 0.06 -0.00 -1.59 0.49 115.11 114.17 1br1 h GLN 818 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1br1 h GLN 818 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 1br1 h GLN 818 CO 0.13 0.06 -0.01 1.25 -0.00 0.00 0.00 178.83 180.26 1br1 h LEU 819 N 0.00 0.01 -0.56 0.06 5.85 -1.32 -3.21 115.31 116.14 1br1 h LEU 819 Ca -0.00 -0.99 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1br1 h LEU 819 Cb 0.28 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1br1 h LEU 819 CO 0.01 1.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 1br1 n GLY 820 N 1.59 0.36 0.78 3.75 0.00 0.12 -5.10 105.19 106.69 1br1 n GLY 820 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1br1 n GLY 820 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76