#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br5 h TYR 4 N 0.00 0.79 -0.21 -0.67 -0.00 -2.08 -3.08 116.97 111.73 2br5 h TYR 4 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 58.73 58.36 2br5 h TYR 4 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 2br5 h TYR 4 CO 0.00 1.14 0.04 0.77 -0.00 0.00 0.00 178.16 180.11 2br5 h SER 5 N 0.40 0.27 -0.25 0.10 0.02 -2.10 -3.08 113.55 108.90 2br5 h SER 5 Ca -0.04 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2br5 h SER 5 Cb 1.36 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 2br5 h SER 5 CO 0.14 0.29 0.12 0.54 -1.14 0.00 0.00 176.83 176.78 2br5 n ARG 6 N -4.40 1.69 -4.00 3.45 1.74 -1.16 -4.81 116.66 109.18 2br5 n ARG 6 Ca 0.00 -0.92 -0.10 0.00 -0.77 0.00 0.00 57.85 56.05 2br5 n ARG 6 Cb 0.16 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 2br5 n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2br5 s GLN 7 N -1.21 0.35 -0.13 5.56 -0.21 -1.17 -5.10 119.66 117.76 2br5 s GLN 7 Ca 0.17 -0.62 -0.01 0.00 0.02 0.00 0.00 55.36 54.92 2br5 s GLN 7 Cb 0.14 -0.00 -0.02 0.00 1.00 0.00 0.00 33.01 34.12 2br5 s GLN 7 CO 0.04 -0.02 -0.08 1.21 -2.12 0.00 0.00 175.29 174.32 2br5 s ASN 8 N -1.41 4.44 -0.06 5.90 3.84 -1.26 -5.03 114.94 121.36 2br5 s ASN 8 Ca -0.14 -0.19 -0.11 0.00 0.21 0.00 0.00 52.86 52.63 2br5 s ASN 8 Cb -0.09 -1.59 -0.05 0.00 -0.55 0.00 0.00 41.25 38.96 2br5 s ASN 8 CO -0.01 0.20 0.29 -0.36 -2.79 0.00 0.00 177.10 174.43 2br5 s PHE 9 N 0.15 3.66 0.73 0.43 0.40 -1.26 -5.08 117.98 117.01 2br5 s PHE 9 Ca -0.04 0.77 -0.11 0.00 -0.60 0.00 0.00 56.93 56.95 2br5 s PHE 9 Cb -0.14 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2br5 s PHE 9 CO 0.04 0.67 1.08 -0.65 0.70 0.00 0.00 175.22 177.06 2br5 s GLN 10 N -0.99 2.56 -0.56 0.44 -0.21 -1.26 -4.98 119.66 114.66 2br5 s GLN 10 Ca 0.20 1.12 -0.28 0.00 0.02 0.00 0.00 55.36 56.42 2br5 s GLN 10 Cb -0.14 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2br5 s GLN 10 CO 0.09 -1.40 1.48 0.34 -2.12 0.00 0.00 175.29 173.68 2br5 s ASP 11 N -3.43 6.01 0.00 5.90 2.15 -1.26 -4.89 116.67 121.16 2br5 s ASP 11 Ca 0.61 0.32 0.12 0.00 0.43 0.00 0.00 52.55 54.03 2br5 s ASP 11 Cb -0.16 -2.54 0.54 0.00 -0.30 0.00 0.00 42.92 40.45 2br5 s ASP 11 CO 0.54 -1.79 1.35 0.18 -0.17 0.00 0.00 175.17 175.27 2br5 n LEU 12 N 9.99 0.00 0.18 -1.34 4.32 -1.26 -2.03 117.00 126.86 2br5 n LEU 12 Ca 0.13 0.43 0.03 0.00 -0.02 0.00 0.00 56.01 56.59 2br5 n LEU 12 Cb 0.49 -0.43 0.34 0.00 -1.62 0.00 0.00 43.42 42.20 2br5 n LEU 12 CO 0.71 -0.26 0.68 0.78 -1.22 0.00 0.00 177.39 178.08 2br5 h ASN 13 N 0.00 0.00 -0.43 -1.43 2.35 -2.01 -2.97 115.58 111.09 2br5 h ASN 13 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2br5 h ASN 13 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2br5 h ASN 13 CO 0.00 0.42 0.76 -0.07 -1.65 0.00 0.00 177.43 176.88 2br5 h LEU 14 N 0.00 0.00 -1.69 1.61 4.07 -1.83 -1.30 115.31 116.17 2br5 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2br5 h LEU 14 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2br5 h LEU 14 CO 0.05 0.00 -0.03 0.49 -1.08 0.00 0.00 178.44 177.88 2br5 n PHE 15 N -3.16 0.00 -1.62 1.13 3.01 -1.12 -4.92 117.46 110.77 2br5 n PHE 15 Ca 0.09 0.00 -0.56 0.00 1.01 0.00 0.00 57.45 57.98 2br5 n PHE 15 Cb 0.91 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.30 2br5 n PHE 15 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2br5 n ARG 16 N 1.01 1.06 -1.12 -1.08 5.12 -0.49 -0.80 116.66 120.36 2br5 n ARG 16 Ca 0.11 0.37 -0.04 0.00 -1.93 0.00 0.00 57.85 56.36 2br5 n ARG 16 Cb 0.48 -2.14 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 2br5 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2br5 n GLY 17 N 4.95 0.62 0.21 -0.13 0.00 -1.26 -4.78 105.19 104.80 2br5 n GLY 17 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2br5 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br5 n LEU 18 N -0.47 1.65 0.00 0.99 4.77 0.02 -5.12 117.00 118.84 2br5 n LEU 18 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2br5 n LEU 18 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2br5 n LEU 18 CO 0.06 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2br5 n GLY 19 N 2.76 0.15 0.38 -0.72 0.00 -0.70 -4.77 105.19 102.29 2br5 n GLY 19 Ca 0.00 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.33 2br5 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2br5 n GLU 20 N 0.37 1.29 -3.38 1.61 0.28 -1.26 -4.74 120.64 114.82 2br5 n GLU 20 Ca 0.00 -0.76 -0.10 0.00 -0.16 0.00 0.00 57.16 56.14 2br5 n GLU 20 Cb 0.00 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.30 2br5 n GLU 20 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2br5 s ASP 21 N -2.23 0.34 0.52 -1.84 -1.08 -1.26 -5.03 116.67 106.08 2br5 s ASP 21 Ca 0.32 0.21 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 2br5 s ASP 21 Cb 0.20 1.05 1.28 0.00 -1.46 0.00 0.00 42.92 43.99 2br5 s ASP 21 CO 0.42 -0.30 2.12 -0.65 0.52 0.00 0.00 175.17 177.28 2br5 h PRO 22 N 8.20 0.01 -6.87 4.34 0.11 -1.90 -3.42 132.00 132.47 2br5 h PRO 22 Ca -0.19 -0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.41 2br5 h PRO 22 Cb 1.15 -0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.31 2br5 h PRO 22 CO 0.27 0.01 0.54 0.00 -0.21 0.00 0.00 178.00 178.61 2br5 s ALA 23 N -5.07 3.36 0.01 -0.75 0.00 -1.26 -4.53 121.76 113.52 2br5 s ALA 23 Ca -0.05 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 2br5 s ALA 23 Cb 0.17 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2br5 s ALA 23 CO 0.68 -0.44 1.08 -0.47 0.00 0.00 0.00 175.76 176.61 2br5 s TYR 24 N -1.23 3.53 -0.14 0.00 5.04 -1.26 -4.93 117.35 118.36 2br5 s TYR 24 Ca 0.50 1.51 0.01 0.00 -2.44 0.00 0.00 57.07 56.65 2br5 s TYR 24 Cb -0.34 -3.26 0.02 0.00 0.35 0.00 0.00 41.96 38.73 2br5 s TYR 24 CO 0.45 -0.59 -0.16 -1.01 -1.34 0.00 0.00 175.55 172.89 2br5 s HIS 25 N 1.21 2.27 0.13 4.97 3.76 -1.26 -5.01 115.29 121.36 2br5 s HIS 25 Ca 0.54 -1.22 -0.31 0.00 -0.15 0.00 0.00 55.06 53.93 2br5 s HIS 25 Cb -0.24 -1.62 -0.08 0.00 1.11 0.00 0.00 32.58 31.75 2br5 s HIS 25 CO 0.27 -0.63 1.28 -1.25 -0.85 0.00 0.00 174.74 173.56 2br5 s PRO 26 N 1.26 4.40 0.28 8.40 0.04 -1.26 -4.94 135.00 143.17 2br5 s PRO 26 Ca 0.01 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2br5 s PRO 26 Cb -0.14 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 2br5 s PRO 26 CO -0.08 -0.28 1.32 -1.25 0.04 0.00 0.00 177.00 176.75 2br5 s PRO 27 N 0.56 4.36 0.17 0.56 0.04 -1.26 -5.02 135.00 134.40 2br5 s PRO 27 Ca 0.59 2.17 0.07 0.00 0.04 0.00 0.00 61.00 63.87 2br5 s PRO 27 Cb -0.34 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2br5 s PRO 27 CO 0.33 -0.23 0.01 0.08 0.04 0.00 0.00 177.00 177.23 2br5 s VAL 28 N -0.60 3.80 0.35 -0.36 1.01 -1.26 -5.11 120.40 118.22 2br5 s VAL 28 Ca 0.53 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 2br5 s VAL 28 Cb -0.39 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 2br5 s VAL 28 CO 0.47 -0.09 0.99 -0.76 0.00 0.00 0.00 175.10 175.71 2br5 s LEU 29 N -2.90 4.29 -0.03 3.92 2.01 -1.26 -4.93 118.68 119.77 2br5 s LEU 29 Ca 0.27 1.94 -0.07 0.00 0.01 0.00 0.00 54.13 56.28 2br5 s LEU 29 Cb -0.10 -4.05 -0.03 0.00 0.01 0.00 0.00 46.19 42.03 2br5 s LEU 29 CO 0.19 -0.22 -0.15 0.35 1.01 0.00 0.00 176.35 177.53 2br5 n THR 30 N 0.39 1.27 1.92 5.49 -2.24 -1.26 -4.75 114.28 115.10 2br5 n THR 30 Ca 0.03 0.24 0.15 0.00 -2.27 0.00 0.00 64.05 62.20 2br5 n THR 30 Cb 0.49 -1.88 0.84 0.00 -2.10 0.00 0.00 70.33 67.68 2br5 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br5 n ASP 31 N -3.87 0.22 -3.67 3.42 5.75 -1.26 -4.90 116.55 112.24 2br5 n ASP 31 Ca -0.08 -1.13 -0.10 0.00 -0.01 0.00 0.00 54.79 53.47 2br5 n ASP 31 Cb 0.27 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 2br5 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br5 s ARG 32 N -2.00 1.27 0.76 0.11 1.70 -1.26 -5.17 118.95 114.36 2br5 s ARG 32 Ca 0.44 -0.77 -0.12 0.00 -0.47 0.00 0.00 55.73 54.81 2br5 s ARG 32 Cb 0.21 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 35.15 2br5 s ARG 32 CO 0.34 -0.53 1.13 -2.14 -1.08 0.00 0.00 175.30 173.03 2br5 s PRO 33 N -3.84 2.37 0.24 3.89 0.02 -1.26 -4.76 135.00 131.67 2br5 s PRO 33 Ca 0.06 0.33 0.21 0.00 0.02 0.00 0.00 61.00 61.62 2br5 s PRO 33 Cb -0.00 -1.98 0.06 0.00 0.02 0.00 0.00 34.50 32.61 2br5 s PRO 33 CO -0.07 -1.36 1.18 -0.09 -0.33 0.00 0.00 177.00 176.34 2br5 h ARG 34 N -0.89 0.00 -2.93 5.54 2.43 -2.02 -3.40 114.38 113.11 2br5 h ARG 34 Ca -0.46 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 57.94 2br5 h ARG 34 Cb 1.29 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.54 2br5 h ARG 34 CO 0.64 0.11 0.52 -0.25 -1.51 0.00 0.00 179.97 179.48 2br5 n ASP 35 N -2.88 5.87 -4.77 -3.80 8.00 -1.26 -5.04 116.55 112.67 2br5 n ASP 35 Ca -0.01 -3.36 -0.39 0.00 0.71 0.00 0.00 54.79 51.75 2br5 n ASP 35 Cb 0.62 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.52 2br5 n ASP 35 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2br5 s TRP 36 N -2.49 2.81 0.32 1.24 -0.11 -1.26 -5.00 118.94 114.44 2br5 s TRP 36 Ca 0.32 1.42 -0.27 0.00 1.22 0.00 0.00 56.10 58.79 2br5 s TRP 36 Cb 0.03 -3.66 -0.09 0.00 -1.50 0.00 0.00 33.47 28.26 2br5 s TRP 36 CO 0.06 -2.07 1.01 -2.14 -4.62 0.00 0.00 176.95 169.19 2br5 s PRO 37 N -2.29 4.52 0.53 5.86 0.02 -1.26 -4.97 135.00 137.41 2br5 s PRO 37 Ca 0.58 1.53 0.32 0.00 0.02 0.00 0.00 61.00 63.44 2br5 s PRO 37 Cb -0.38 -2.90 1.19 0.00 0.02 0.00 0.00 34.50 32.43 2br5 s PRO 37 CO 0.48 0.18 1.92 -0.07 -0.33 0.00 0.00 177.00 179.17 2br5 h LEU 38 N 3.29 0.00 -0.86 -5.54 -0.00 -2.00 -2.48 115.31 107.72 2br5 h LEU 38 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.32 2br5 h LEU 38 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 2br5 h LEU 38 CO 0.65 0.01 -0.12 -2.24 -0.00 0.00 0.00 178.44 176.74 2br5 h ASP 39 N 0.00 0.70 -0.67 -0.43 3.04 -2.05 -3.11 116.42 113.91 2br5 h ASP 39 Ca -0.00 -0.21 -0.37 0.00 -3.24 0.00 0.00 57.03 53.22 2br5 h ASP 39 Cb 0.60 -0.19 -0.20 0.00 -1.04 0.00 0.00 39.33 38.50 2br5 h ASP 39 CO 0.00 0.85 0.47 0.54 -2.04 0.00 0.00 179.24 179.06 2br5 n ARG 40 N -4.17 1.89 0.08 4.15 1.74 -0.93 -4.53 116.66 114.89 2br5 n ARG 40 Ca 0.01 -2.04 -0.01 0.00 -0.77 0.00 0.00 57.85 55.04 2br5 n ARG 40 Cb 0.36 -1.80 0.26 0.00 -1.02 0.00 0.00 32.46 30.26 2br5 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br5 h TRP 41 N 0.86 0.33 -0.13 -1.55 7.01 -1.59 -3.05 115.95 117.84 2br5 h TRP 41 Ca 0.42 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 61.30 2br5 h TRP 41 Cb 1.99 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 28.96 2br5 h TRP 41 CO 1.06 0.57 -0.13 0.00 -2.79 0.00 0.00 178.44 177.16 2br5 h ALA 42 N 1.43 0.19 -0.18 2.65 0.00 -1.87 -3.29 119.26 118.19 2br5 h ALA 42 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2br5 h ALA 42 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2br5 h ALA 42 CO 0.05 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.50 2br5 n GLU 43 N -4.59 2.01 -3.35 0.00 0.28 -1.16 -4.80 120.64 109.02 2br5 n GLU 43 Ca -0.06 -0.88 -0.36 0.00 -0.16 0.00 0.00 57.16 55.70 2br5 n GLU 43 Cb 0.35 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.54 2br5 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2br5 s ALA 44 N -1.55 3.58 0.67 -1.84 0.00 -1.16 -5.07 121.76 116.40 2br5 s ALA 44 Ca 0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 2br5 s ALA 44 Cb 0.11 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2br5 s ALA 44 CO 0.06 0.45 1.05 -1.25 0.00 0.00 0.00 175.76 176.07 2br5 s PRO 45 N -1.84 3.12 0.23 0.00 0.04 -1.26 -4.99 135.00 130.30 2br5 s PRO 45 Ca 0.36 0.83 0.23 0.00 0.04 0.00 0.00 61.00 62.46 2br5 s PRO 45 Cb -0.16 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.51 2br5 s PRO 45 CO 0.19 -0.93 1.22 0.07 0.04 0.00 0.00 177.00 177.58 2br5 h ARG 46 N -0.59 0.00 -7.01 4.56 -0.00 -1.97 -3.48 114.38 105.89 2br5 h ARG 46 Ca -0.44 0.00 -0.50 0.00 -0.00 0.00 0.00 59.98 59.04 2br5 h ARG 46 Cb 1.21 0.00 0.06 0.00 -0.00 0.00 0.00 29.97 31.23 2br5 h ARG 46 CO 0.59 0.00 0.46 0.16 -0.00 0.00 0.00 179.97 181.18 2br5 s ASP 47 N -5.25 6.21 0.12 0.08 3.84 -1.26 -4.95 116.67 115.47 2br5 s ASP 47 Ca 0.02 2.23 -0.32 0.00 -0.00 0.00 0.00 52.55 54.48 2br5 s ASP 47 Cb 0.10 -2.59 -0.11 0.00 -1.38 0.00 0.00 42.92 38.93 2br5 s ASP 47 CO 0.75 -0.88 1.53 0.25 -0.00 0.00 0.00 175.17 176.81 2br5 h LEU 48 N 1.98 -1.79 0.00 2.11 5.85 -2.04 -3.46 115.31 117.95 2br5 h LEU 48 Ca -0.49 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2br5 h LEU 48 Cb 1.24 0.73 0.00 0.00 0.37 0.00 0.00 40.66 43.00 2br5 h LEU 48 CO 0.60 -0.39 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2br5 n GLY 49 N -1.36 0.94 3.65 3.75 0.00 -1.26 -5.11 105.19 105.80 2br5 n GLY 49 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2br5 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br5 s TYR 50 N -2.00 0.59 0.32 1.61 -0.85 -1.26 -4.63 117.35 111.12 2br5 s TYR 50 Ca 0.00 -1.04 0.09 0.00 -0.52 0.00 0.00 57.07 55.60 2br5 s TYR 50 Cb 0.00 0.39 0.90 0.00 0.38 0.00 0.00 41.96 43.62 2br5 s TYR 50 CO 0.00 -1.36 1.69 1.03 -1.52 0.00 0.00 175.55 175.39 2br5 h SER 51 N 2.05 0.46 0.00 -0.18 0.87 -1.99 -3.46 113.55 111.30 2br5 h SER 51 Ca -0.30 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2br5 h SER 51 Cb 1.24 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2br5 h SER 51 CO 0.39 -0.03 0.00 -0.67 -0.53 0.00 0.00 176.83 175.99 2br5 n ASP 52 N -5.02 -4.62 0.00 6.23 -0.08 -1.26 -4.94 116.55 106.85 2br5 n ASP 52 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2br5 n ASP 52 Cb 0.80 -2.13 0.00 0.00 2.34 0.00 0.00 41.12 42.13 2br5 n ASP 52 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2br5 n PHE 53 N -2.46 0.00 -3.18 -0.67 -0.00 -1.26 -4.62 117.46 105.27 2br5 n PHE 53 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.26 2br5 n PHE 53 Cb 0.27 -0.47 -0.04 0.00 -0.00 0.00 0.00 39.48 39.24 2br5 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br5 n SER 54 N -1.92 0.92 0.15 -2.13 2.88 -1.26 -4.96 113.62 107.31 2br5 n SER 54 Ca 0.00 -3.00 0.13 0.00 -1.33 0.00 0.00 58.87 54.67 2br5 n SER 54 Cb 0.00 -0.62 0.46 0.00 -0.75 0.00 0.00 64.21 63.30 2br5 n SER 54 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2br5 h PRO 55 N 3.12 0.00 -7.35 -1.46 0.13 -1.88 -3.46 132.00 121.11 2br5 h PRO 55 Ca 0.10 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.72 2br5 h PRO 55 Cb 0.94 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.17 2br5 h PRO 55 CO 0.51 0.00 0.36 0.71 -0.23 0.00 0.00 178.00 179.35 2br5 s TYR 56 N -3.29 3.00 0.23 1.56 1.51 -1.26 -4.95 117.35 114.15 2br5 s TYR 56 Ca 0.06 1.39 -0.15 0.00 -1.01 0.00 0.00 57.07 57.36 2br5 s TYR 56 Cb 0.10 -2.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.02 2br5 s TYR 56 CO 0.51 -1.40 0.51 1.14 -1.11 0.00 0.00 175.55 175.20 2br5 s GLN 57 N -5.05 1.50 -0.17 -0.62 -2.07 -1.26 -1.65 119.66 110.33 2br5 s GLN 57 Ca 0.59 -1.08 -0.05 0.00 -1.82 0.00 0.00 55.36 53.00 2br5 s GLN 57 Cb -0.14 0.50 0.07 0.00 -1.09 0.00 0.00 33.01 32.34 2br5 s GLN 57 CO 0.55 -0.63 0.12 -0.46 -1.32 0.00 0.00 175.29 173.55 2br5 s TRP 58 N -3.95 0.08 -1.40 9.60 -0.11 0.16 -4.78 118.94 118.54 2br5 s TRP 58 Ca 0.16 -0.15 -0.10 0.00 1.22 0.00 0.00 56.10 57.23 2br5 s TRP 58 Cb -0.01 -0.60 0.03 0.00 -1.50 0.00 0.00 33.47 31.38 2br5 s TRP 58 CO 0.04 -0.51 1.14 0.54 -4.62 0.00 0.00 176.95 173.54 2br5 n ARG 59 N 5.29 -7.39 -0.96 5.86 1.74 -1.26 -1.65 116.66 118.29 2br5 n ARG 59 Ca -0.06 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2br5 n ARG 59 Cb 0.49 -5.79 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 2br5 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 60 N -1.93 0.51 3.38 -0.13 0.00 -1.26 -5.02 105.19 100.73 2br5 n GLY 60 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2br5 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br5 s LEU 61 N 0.00 2.67 0.29 0.99 1.43 -0.66 -4.28 118.68 119.12 2br5 s LEU 61 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2br5 s LEU 61 Cb 0.00 -1.58 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 2br5 s LEU 61 CO 0.00 0.20 1.49 0.54 0.23 0.00 0.00 176.35 178.82 2br5 n ARG 62 N 3.26 2.42 -4.16 1.70 1.74 -1.26 0.36 116.66 120.72 2br5 n ARG 62 Ca -0.18 0.86 -0.33 0.00 -0.77 0.00 0.00 57.85 57.43 2br5 n ARG 62 Cb 0.53 -2.57 -0.16 0.00 -1.02 0.00 0.00 32.46 29.23 2br5 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br5 s MET 63 N -0.75 3.02 0.02 5.56 -1.94 -0.66 -3.97 119.30 120.59 2br5 s MET 63 Ca 0.64 -0.82 0.25 0.00 -1.71 0.00 0.00 55.69 54.05 2br5 s MET 63 Cb -0.55 -2.59 0.41 0.00 2.01 0.00 0.00 34.83 34.10 2br5 s MET 63 CO 0.52 -0.19 1.34 1.28 -0.01 0.00 0.00 175.02 177.96 2br5 n LEU 64 N 4.58 0.56 -4.63 -0.03 4.77 -1.26 -4.28 117.00 116.71 2br5 n LEU 64 Ca -0.21 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 2br5 n LEU 64 Cb 0.50 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2br5 n LEU 64 CO 0.26 0.09 0.46 -0.54 -1.33 0.00 0.00 177.39 176.33 2br5 s LYS 65 N -3.05 4.10 0.64 3.23 1.02 -1.26 -5.06 119.74 119.36 2br5 s LYS 65 Ca 0.09 0.61 -0.12 0.00 0.02 0.00 0.00 55.97 56.58 2br5 s LYS 65 Cb 0.16 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2br5 s LYS 65 CO 0.72 -0.46 1.04 0.16 -0.92 0.00 0.00 175.35 175.88 2br5 s ASP 66 N 1.47 5.93 0.51 2.83 1.47 -1.26 -4.69 116.67 122.92 2br5 s ASP 66 Ca 0.28 1.53 0.24 0.00 1.18 0.00 0.00 52.55 55.79 2br5 s ASP 66 Cb -0.15 -2.49 1.33 0.00 -0.34 0.00 0.00 42.92 41.27 2br5 s ASP 66 CO 0.09 -1.07 1.95 -0.65 0.68 0.00 0.00 175.17 176.16 2br5 h PRO 67 N -0.30 0.10 0.81 2.11 0.11 -1.98 0.31 132.00 133.17 2br5 h PRO 67 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2br5 h PRO 67 Cb 1.20 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2br5 h PRO 67 CO 0.60 0.07 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.63 2br5 h ASP 68 N 0.10 -0.92 -0.89 -2.05 5.19 -1.96 0.51 116.42 116.40 2br5 h ASP 68 Ca 0.33 0.02 0.19 0.00 -0.62 0.00 0.00 57.03 56.95 2br5 h ASP 68 Cb 1.15 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.83 2br5 h ASP 68 CO -0.04 -0.63 0.58 0.74 -3.12 0.00 0.00 179.24 176.78 2br5 h THR 69 N -1.14 0.71 -0.52 0.35 2.02 -1.33 -1.94 112.91 111.06 2br5 h THR 69 Ca -0.11 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 2br5 h THR 69 Cb 0.84 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2br5 h THR 69 CO 0.18 0.08 -0.11 1.56 0.37 0.00 0.00 175.52 177.60 2br5 h GLN 70 N 0.46 0.99 -0.51 6.66 4.20 -0.63 -2.69 115.11 123.58 2br5 h GLN 70 Ca 0.46 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2br5 h GLN 70 Cb 1.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 2br5 h GLN 70 CO -0.18 1.04 0.24 0.00 -0.67 0.00 0.00 178.83 179.25 2br5 h ALA 71 N 0.98 1.46 0.04 3.87 0.00 -0.11 -2.21 119.26 123.30 2br5 h ALA 71 Ca 0.14 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2br5 h ALA 71 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2br5 h ALA 71 CO 0.05 0.42 -1.00 -0.24 0.00 0.00 0.00 179.25 178.48 2br5 h VAL 72 N 0.71 1.51 -0.32 0.00 3.04 -1.37 -2.89 116.25 116.93 2br5 h VAL 72 Ca 0.18 -2.80 -0.09 0.00 -1.01 0.00 0.00 66.70 62.98 2br5 h VAL 72 Cb 0.09 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.98 2br5 h VAL 72 CO -0.02 0.82 -0.20 1.88 -1.01 0.00 0.00 177.57 179.04 2br5 h TYR 73 N 0.11 0.65 -0.76 3.17 0.99 -1.34 -0.07 116.97 119.71 2br5 h TYR 73 Ca -0.07 -0.13 0.05 0.00 2.00 0.00 0.00 58.73 60.58 2br5 h TYR 73 Cb 1.67 -0.16 -0.05 0.00 1.00 0.00 0.00 36.73 39.18 2br5 h TYR 73 CO 0.04 0.74 0.47 1.25 -0.00 0.00 0.00 178.16 180.66 2br5 h HIS 74 N 0.52 0.86 -0.37 4.88 2.76 -1.35 0.14 115.15 122.60 2br5 h HIS 74 Ca 0.08 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.15 2br5 h HIS 74 Cb 0.63 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2br5 h HIS 74 CO 0.02 0.45 -0.28 -0.44 -1.30 0.00 0.00 177.93 176.38 2br5 h ASP 75 N 0.87 0.88 -0.33 3.26 3.32 -1.24 -2.24 116.42 120.95 2br5 h ASP 75 Ca 0.33 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2br5 h ASP 75 Cb 0.13 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2br5 h ASP 75 CO -0.16 1.14 -0.02 -0.03 -1.72 0.00 0.00 179.24 178.46 2br5 h MET 76 N 0.64 0.59 -0.47 3.56 4.05 -0.43 -0.35 114.93 122.52 2br5 h MET 76 Ca 0.07 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2br5 h MET 76 Cb 0.86 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2br5 h MET 76 CO 0.07 0.74 0.23 -0.07 0.23 0.00 0.00 176.91 178.11 2br5 h LEU 77 N 0.39 0.61 -0.17 3.39 4.07 -0.82 -1.49 115.31 121.29 2br5 h LEU 77 Ca 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2br5 h LEU 77 Cb 0.48 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2br5 h LEU 77 CO 0.02 0.56 0.10 -0.25 -1.08 0.00 0.00 178.44 177.79 2br5 h TRP 78 N 0.62 0.23 -0.41 1.13 2.91 -1.07 0.51 115.95 119.87 2br5 h TRP 78 Ca 0.16 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.10 2br5 h TRP 78 Cb 0.11 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 2br5 h TRP 78 CO -0.01 0.21 -0.07 1.49 -1.03 0.00 0.00 178.44 179.03 2br5 h GLU 79 N 0.18 0.76 0.05 2.65 4.81 -1.03 -3.36 114.58 118.65 2br5 h GLU 79 Ca 0.06 -0.28 -0.36 0.00 -0.13 0.00 0.00 59.36 58.65 2br5 h GLU 79 Cb 0.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2br5 h GLU 79 CO -0.01 0.88 -2.16 -0.11 -0.73 0.00 0.00 179.01 176.87 2br5 n LEU 80 N -4.36 2.24 -2.86 1.64 0.00 -0.57 -5.03 117.00 108.06 2br5 n LEU 80 Ca -0.01 0.10 -0.07 0.00 0.00 0.00 0.00 56.01 56.03 2br5 n LEU 80 Cb 0.34 -0.71 0.03 0.00 0.00 0.00 0.00 43.42 43.09 2br5 n LEU 80 CO 0.42 0.78 0.14 0.54 0.00 0.00 0.00 177.39 179.28 2br5 n ARG 81 N -3.27 -1.50 -2.58 1.96 1.74 0.18 -4.79 116.66 108.40 2br5 n ARG 81 Ca -0.35 0.98 -0.37 0.00 -0.77 0.00 0.00 57.85 57.35 2br5 n ARG 81 Cb 1.04 -5.02 -0.05 0.00 -1.02 0.00 0.00 32.46 27.42 2br5 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br5 s PRO 82 N -3.63 4.30 0.06 5.56 0.04 -1.26 -4.56 135.00 135.51 2br5 s PRO 82 Ca 0.21 1.51 0.24 0.00 0.04 0.00 0.00 61.00 63.00 2br5 s PRO 82 Cb -0.03 -2.66 0.37 0.00 0.04 0.00 0.00 34.50 32.22 2br5 s PRO 82 CO 0.61 -0.02 1.31 0.54 0.04 0.00 0.00 177.00 179.48 2br5 n ARG 83 N 0.19 0.17 -3.76 4.56 5.12 -0.46 -4.37 116.66 118.10 2br5 n ARG 83 Ca 0.04 0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 2br5 n ARG 83 Cb 0.49 -1.59 -0.12 0.00 -1.16 0.00 0.00 32.46 30.07 2br5 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2br5 s THR 84 N -3.10 -0.02 -0.12 0.55 2.01 -1.13 -1.09 115.64 112.74 2br5 s THR 84 Ca 0.08 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 2br5 s THR 84 Cb 0.15 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.33 2br5 s THR 84 CO 0.72 0.03 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.98 2br5 s ILE 85 N 0.68 1.03 -0.17 1.82 1.01 -0.78 -1.86 121.20 122.93 2br5 s ILE 85 Ca -0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2br5 s ILE 85 Cb -0.06 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2br5 s ILE 85 CO -0.04 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.57 2br5 s VAL 86 N 1.70 4.56 -0.10 2.92 1.01 -0.47 -0.33 120.40 129.68 2br5 s VAL 86 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2br5 s VAL 86 Cb -0.13 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2br5 s VAL 86 CO -0.08 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.67 2br5 s GLU 87 N 0.27 3.08 -0.38 2.72 0.41 0.18 -0.44 118.70 124.55 2br5 s GLU 87 Ca 0.02 -0.84 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2br5 s GLU 87 Cb -0.13 -2.35 0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2br5 s GLU 87 CO 0.01 0.20 0.21 -0.51 -0.49 0.00 0.00 175.26 174.68 2br5 s LEU 88 N 0.31 4.77 0.00 1.80 1.43 -0.13 -0.37 118.68 126.49 2br5 s LEU 88 Ca -0.17 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2br5 s LEU 88 Cb -0.17 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2br5 s LEU 88 CO 0.08 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.86 2br5 n GLY 89 N 4.98 1.14 0.69 -3.19 0.00 0.09 0.04 105.19 108.94 2br5 n GLY 89 Ca -0.12 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2br5 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br5 n VAL 90 N 2.42 0.84 0.00 1.61 0.31 -1.26 -4.81 118.33 117.45 2br5 n VAL 90 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2br5 n VAL 90 Cb 0.00 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 2br5 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br5 n TYR 91 N -3.60 0.00 0.54 3.52 9.36 -1.26 -1.92 117.16 123.79 2br5 n TYR 91 Ca -0.15 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.18 2br5 n TYR 91 Cb 0.48 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.24 2br5 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br5 n ASN 92 N 10.53 0.62 0.00 2.98 6.94 -1.26 -2.92 115.26 132.16 2br5 n ASN 92 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 2br5 n ASN 92 Cb 0.00 0.69 0.00 0.00 -2.36 0.00 0.00 39.78 38.11 2br5 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br5 n GLY 93 N 1.35 0.76 0.22 4.83 0.00 -0.81 -1.46 105.19 110.08 2br5 n GLY 93 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2br5 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br5 h GLY 94 N 0.00 0.75 0.65 -0.02 0.00 -1.79 -1.89 103.07 100.77 2br5 h GLY 94 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2br5 h GLY 94 CO 0.00 0.29 -0.13 1.48 0.00 0.00 0.00 176.54 178.18 2br5 h SER 95 N 0.71 0.27 -0.84 0.19 4.64 -1.87 -1.95 113.55 114.70 2br5 h SER 95 Ca 0.19 -0.52 0.16 0.00 -0.47 0.00 0.00 61.79 61.15 2br5 h SER 95 Cb -0.05 -0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 61.81 2br5 h SER 95 CO -0.04 0.74 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.34 2br5 h LEU 96 N -0.20 -0.93 -0.68 5.97 4.07 -1.88 0.03 115.31 121.70 2br5 h LEU 96 Ca 0.01 0.26 -0.14 0.00 0.08 0.00 0.00 57.88 58.09 2br5 h LEU 96 Cb 0.68 0.56 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2br5 h LEU 96 CO 0.03 -0.29 -0.63 0.00 -1.08 0.00 0.00 178.44 176.48 2br5 h ALA 97 N 1.67 0.89 0.18 1.53 0.00 -1.17 -2.22 119.26 120.14 2br5 h ALA 97 Ca 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2br5 h ALA 97 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2br5 h ALA 97 CO -0.87 0.76 -0.09 2.35 0.00 0.00 0.00 179.25 181.41 2br5 h TRP 98 N 0.10 -0.22 -0.86 0.00 7.01 -0.53 0.27 115.95 121.70 2br5 h TRP 98 Ca -0.01 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.13 2br5 h TRP 98 Cb 1.12 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 28.16 2br5 h TRP 98 CO 0.01 0.14 0.46 0.74 -2.79 0.00 0.00 178.44 177.00 2br5 h PHE 99 N -0.63 0.80 -0.39 2.65 0.05 -1.03 0.20 116.94 118.60 2br5 h PHE 99 Ca -0.02 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.69 2br5 h PHE 99 Cb 0.46 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 2br5 h PHE 99 CO 0.04 0.20 -0.17 -0.09 -0.18 0.00 0.00 178.31 178.12 2br5 h ARG 100 N 0.65 0.80 -0.13 1.51 1.12 -1.29 -2.01 114.38 115.03 2br5 h ARG 100 Ca 0.47 -0.34 -0.12 0.00 -1.11 0.00 0.00 59.98 58.88 2br5 h ARG 100 Cb 0.65 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 2br5 h ARG 100 CO -0.36 0.97 -0.43 -0.44 -3.11 0.00 0.00 179.97 176.60 2br5 h ASP 101 N 0.60 0.33 0.52 -3.80 3.32 -0.26 -2.64 116.42 114.49 2br5 h ASP 101 Ca 0.09 -0.15 -0.29 0.00 0.02 0.00 0.00 57.03 56.70 2br5 h ASP 101 Cb 0.72 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.18 2br5 h ASP 101 CO 0.05 0.73 -1.38 -0.07 -1.72 0.00 0.00 179.24 176.85 2br5 h LEU 102 N 0.26 0.47 -0.72 1.55 3.38 -0.86 -1.72 115.31 117.68 2br5 h LEU 102 Ca 0.02 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 2br5 h LEU 102 Cb 0.87 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2br5 h LEU 102 CO 0.07 1.44 -0.09 0.71 0.09 0.00 0.00 178.44 180.67 2br5 h THR 103 N 0.08 1.26 0.05 0.22 1.35 -1.41 -2.07 112.91 112.40 2br5 h THR 103 Ca -0.19 -1.19 -0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2br5 h THR 103 Cb 2.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2br5 h THR 103 CO 0.20 0.42 -0.02 0.50 -0.25 0.00 0.00 175.52 176.36 2br5 h LYS 104 N 0.81 -0.07 -0.02 4.72 3.64 -1.46 0.13 116.57 124.33 2br5 h LYS 104 Ca 0.14 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2br5 h LYS 104 Cb 0.60 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2br5 h LYS 104 CO 0.04 0.16 -0.12 0.97 -2.27 0.00 0.00 179.45 178.23 2br5 h ILE 105 N -0.29 1.10 -0.00 2.00 6.09 -1.33 -0.38 117.51 124.70 2br5 h ILE 105 Ca -0.01 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 2br5 h ILE 105 Cb 0.26 1.21 0.00 0.00 0.47 0.00 0.00 36.82 38.76 2br5 h ILE 105 CO 0.01 0.13 -0.02 0.23 -3.07 0.00 0.00 178.15 175.44 2br5 n MET 106 N -4.39 1.01 -1.13 2.19 2.81 -0.78 -4.92 117.12 111.91 2br5 n MET 106 Ca -0.02 -0.20 -0.05 0.00 -1.81 0.00 0.00 57.70 55.62 2br5 n MET 106 Cb 0.20 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 2br5 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br5 n GLY 107 N 1.10 0.73 3.81 3.03 0.00 -0.15 -5.02 105.19 108.69 2br5 n GLY 107 Ca 0.21 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 2br5 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br5 s ILE 108 N -2.12 4.90 -1.06 -0.61 1.01 0.40 -5.01 121.20 118.70 2br5 s ILE 108 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 60.65 61.49 2br5 s ILE 108 Cb 0.00 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.74 2br5 s ILE 108 CO 0.00 0.54 1.41 -0.62 0.00 0.00 0.00 174.94 176.27 2br5 s ASP 109 N -0.94 6.65 -0.15 3.58 2.15 -1.26 -4.20 116.67 122.50 2br5 s ASP 109 Ca 0.27 -1.92 0.01 0.00 0.43 0.00 0.00 52.55 51.34 2br5 s ASP 109 Cb -0.18 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 2br5 s ASP 109 CO 0.16 -1.26 -0.19 0.00 -0.17 0.00 0.00 175.17 173.71 2br5 s GLN 111 N 1.15 3.90 0.06 0.00 -1.52 -0.25 -4.94 119.66 118.06 2br5 s GLN 111 Ca 0.00 0.67 -0.24 0.00 -1.95 0.00 0.00 55.36 53.84 2br5 s GLN 111 Cb -0.14 -3.78 -0.06 0.00 -0.22 0.00 0.00 33.01 28.81 2br5 s GLN 111 CO -0.08 -0.91 0.73 0.08 -0.25 0.00 0.00 175.29 174.86 2br5 s VAL 112 N 3.45 4.69 -0.10 1.09 1.01 -0.35 -1.87 120.40 128.32 2br5 s VAL 112 Ca 0.39 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.93 2br5 s VAL 112 Cb -0.12 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.20 2br5 s VAL 112 CO 0.17 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.93 2br5 s ILE 113 N -0.36 1.31 -0.12 2.22 1.01 0.55 -1.87 121.20 123.95 2br5 s ILE 113 Ca 0.36 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 2br5 s ILE 113 Cb -0.21 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2br5 s ILE 113 CO 0.22 0.40 -0.12 -0.83 0.00 0.00 0.00 174.94 174.62 2br5 s GLY 114 N 1.07 1.57 -0.02 6.18 0.00 0.11 -0.64 107.32 115.59 2br5 s GLY 114 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.85 2br5 s GLY 114 CO -0.02 -0.27 -0.24 -0.42 0.00 0.00 0.00 173.10 172.15 2br5 s ILE 115 N 0.17 2.23 -0.05 0.90 1.01 0.50 -0.85 121.20 125.11 2br5 s ILE 115 Ca -0.06 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 2br5 s ILE 115 Cb -0.15 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.61 2br5 s ILE 115 CO 0.05 0.55 0.76 -0.62 0.00 0.00 0.00 174.94 175.68 2br5 s ASP 116 N -0.72 -0.56 0.46 3.58 -1.08 -0.47 -0.74 116.67 117.14 2br5 s ASP 116 Ca 0.11 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 52.91 2br5 s ASP 116 Cb -0.10 0.48 0.85 0.00 -1.46 0.00 0.00 42.92 42.69 2br5 s ASP 116 CO -0.00 -0.59 1.79 0.08 0.52 0.00 0.00 175.17 176.97 2br5 h ARG 117 N 2.71 0.00 -2.73 4.34 0.11 -1.72 0.35 114.38 117.44 2br5 h ARG 117 Ca -0.25 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.32 2br5 h ARG 117 Cb 1.17 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.86 2br5 h ARG 117 CO 0.36 0.14 -0.77 0.34 0.10 0.00 0.00 179.97 180.15 2br5 s ASP 118 N -6.07 3.35 0.00 0.08 2.15 -1.26 -4.65 116.67 110.27 2br5 s ASP 118 Ca 0.02 -1.23 0.21 0.00 0.43 0.00 0.00 52.55 51.98 2br5 s ASP 118 Cb 0.08 -0.27 0.80 0.00 -0.30 0.00 0.00 42.92 43.23 2br5 s ASP 118 CO 0.63 -0.43 1.57 0.18 -0.17 0.00 0.00 175.17 176.94 2br5 n LEU 119 N 5.26 1.46 0.28 -1.34 4.77 -1.26 -4.28 117.00 121.88 2br5 n LEU 119 Ca -0.06 -0.61 0.14 0.00 -0.03 0.00 0.00 56.01 55.46 2br5 n LEU 119 Cb 0.42 -0.09 0.82 0.00 -2.33 0.00 0.00 43.42 42.25 2br5 n LEU 119 CO 0.04 0.30 1.05 0.77 -1.33 0.00 0.00 177.39 178.22 2br5 h SER 120 N 1.94 0.00 -0.22 -1.43 4.64 -1.94 -2.83 113.55 113.71 2br5 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br5 h SER 120 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2br5 h SER 120 CO 0.00 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 2br5 n ARG 121 N -3.71 1.75 -2.84 4.77 3.00 -1.26 -4.92 116.66 113.44 2br5 n ARG 121 Ca -0.02 -1.13 -0.41 0.00 -0.01 0.00 0.00 57.85 56.28 2br5 n ARG 121 Cb 0.17 -1.36 -0.05 0.00 0.00 0.00 0.00 32.46 31.22 2br5 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2br5 n GLN 123 N 2.79 2.71 -2.36 0.00 1.13 -0.54 -5.00 117.38 116.11 2br5 n GLN 123 Ca 0.00 -1.96 -0.42 0.00 -1.94 0.00 0.00 57.00 52.68 2br5 n GLN 123 Cb 0.50 -1.24 -0.03 0.00 0.11 0.00 0.00 30.24 29.58 2br5 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br5 s ILE 124 N -1.45 3.99 0.93 5.09 1.01 -1.26 -5.01 121.20 124.50 2br5 s ILE 124 Ca 0.16 1.36 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 2br5 s ILE 124 Cb 0.11 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.85 2br5 s ILE 124 CO 0.06 0.02 1.12 -2.84 0.00 0.00 0.00 174.94 173.30 2br5 s PRO 125 N 2.06 0.95 0.08 2.79 0.02 -1.26 -4.94 135.00 134.70 2br5 s PRO 125 Ca 0.59 1.35 0.08 0.00 0.02 0.00 0.00 61.00 63.04 2br5 s PRO 125 Cb -0.28 -1.73 -0.22 0.00 0.02 0.00 0.00 34.50 32.28 2br5 s PRO 125 CO 0.25 -2.61 1.11 0.00 -0.33 0.00 0.00 177.00 175.42 2br5 h ALA 126 N -1.84 0.45 -0.66 -1.55 0.00 -2.00 -2.97 119.26 110.68 2br5 h ALA 126 Ca -0.46 -1.06 0.13 0.00 0.00 0.00 0.00 54.91 53.53 2br5 h ALA 126 Cb 1.27 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 2br5 h ALA 126 CO 0.45 1.33 -0.16 0.43 0.00 0.00 0.00 179.25 181.30 2br5 n SER 127 N -3.28 -0.23 -2.68 0.00 7.64 -1.26 -2.14 113.62 111.67 2br5 n SER 127 Ca -0.05 1.14 -0.32 0.00 1.01 0.00 0.00 58.87 60.66 2br5 n SER 127 Cb 0.97 -0.35 0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2br5 n SER 127 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2br5 n ASP 128 N -5.07 5.68 -0.55 6.43 10.43 -1.12 -4.65 116.55 127.70 2br5 n ASP 128 Ca 0.11 -3.76 0.07 0.00 2.57 0.00 0.00 54.79 53.78 2br5 n ASP 128 Cb 0.34 -0.68 0.06 0.00 1.84 0.00 0.00 41.12 42.67 2br5 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 2br5 n MET 129 N -0.48 1.02 -1.64 -1.24 1.56 -0.91 -4.82 117.12 110.61 2br5 n MET 129 Ca 0.44 -1.31 -0.51 0.00 -0.27 0.00 0.00 57.70 56.05 2br5 n MET 129 Cb 0.50 -1.27 -0.06 0.00 2.15 0.00 0.00 33.22 34.54 2br5 n MET 129 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2br5 n GLU 130 N 0.74 1.52 -1.60 2.12 2.13 -1.26 -2.17 120.64 122.12 2br5 n GLU 130 Ca 0.08 0.55 -0.10 0.00 0.66 0.00 0.00 57.16 58.35 2br5 n GLU 130 Cb 0.35 -2.25 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 2br5 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br5 n ASN 131 N 3.55 -4.00 -4.10 4.31 5.03 -1.26 -4.98 115.26 113.81 2br5 n ASN 131 Ca 0.20 0.17 -0.32 0.00 0.87 0.00 0.00 54.58 55.50 2br5 n ASN 131 Cb 0.22 -2.69 -0.16 0.00 -1.02 0.00 0.00 39.78 36.13 2br5 n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br5 s ILE 132 N -2.43 1.93 -0.20 2.41 1.01 -0.92 -1.21 121.20 121.78 2br5 s ILE 132 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2br5 s ILE 132 Cb 0.00 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.75 2br5 s ILE 132 CO 0.00 0.52 -0.16 -0.89 0.00 0.00 0.00 174.94 174.41 2br5 s THR 133 N 1.23 2.24 0.00 2.92 2.01 -0.78 -5.02 115.64 118.25 2br5 s THR 133 Ca 0.02 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.89 2br5 s THR 133 Cb -0.13 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2br5 s THR 133 CO -0.10 0.40 0.30 -0.76 -0.69 0.00 0.00 174.62 173.77 2br5 s LEU 134 N 1.27 4.39 -0.03 4.42 1.02 -1.26 -0.71 118.68 127.79 2br5 s LEU 134 Ca 0.02 0.67 0.04 0.00 0.02 0.00 0.00 54.13 54.88 2br5 s LEU 134 Cb -0.15 -2.63 -0.00 0.00 0.02 0.00 0.00 46.19 43.43 2br5 s LEU 134 CO -0.10 0.27 -0.14 -1.00 0.02 0.00 0.00 176.35 175.40 2br5 s HIS 135 N -1.24 1.35 -0.22 0.29 3.76 -0.03 -4.94 115.29 114.27 2br5 s HIS 135 Ca 0.26 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 2br5 s HIS 135 Cb -0.14 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2br5 s HIS 135 CO 0.14 -0.10 0.37 -1.14 -0.85 0.00 0.00 174.74 173.17 2br5 s GLN 136 N -0.05 4.14 -0.21 1.40 0.74 -1.25 -1.37 119.66 123.05 2br5 s GLN 136 Ca -0.00 0.13 -0.31 0.00 0.05 0.00 0.00 55.36 55.23 2br5 s GLN 136 Cb -0.09 -3.56 0.16 0.00 1.10 0.00 0.00 33.01 30.62 2br5 s GLN 136 CO 0.01 -0.07 1.19 0.20 -0.55 0.00 0.00 175.29 176.07 2br5 s GLY 137 N 1.14 -0.13 0.10 2.59 0.00 0.11 -4.93 107.32 106.20 2br5 s GLY 137 Ca 0.17 2.23 -0.20 0.00 0.00 0.00 0.00 44.72 46.93 2br5 s GLY 137 CO 0.08 0.93 0.60 -0.35 0.00 0.00 0.00 173.10 174.36 2br5 s ASP 138 N -1.35 7.10 0.43 1.64 3.68 -1.26 -2.15 116.67 124.76 2br5 s ASP 138 Ca 0.05 1.32 0.22 0.00 2.13 0.00 0.00 52.55 56.27 2br5 s ASP 138 Cb -0.01 -2.38 0.93 0.00 -1.45 0.00 0.00 42.92 40.01 2br5 s ASP 138 CO -0.04 0.25 1.84 0.00 0.13 0.00 0.00 175.17 177.35 2br5 n SER 140 N -3.51 7.69 -2.85 0.00 3.41 -1.26 -4.65 113.62 112.44 2br5 n SER 140 Ca -0.00 -3.43 0.02 0.00 -0.26 0.00 0.00 58.87 55.20 2br5 n SER 140 Cb 0.42 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 2br5 n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2br5 s ASP 141 N -0.53 -0.40 0.39 4.04 3.68 -1.22 -5.05 116.67 117.58 2br5 s ASP 141 Ca 0.46 -0.16 0.27 0.00 2.13 0.00 0.00 52.55 55.26 2br5 s ASP 141 Cb 0.19 0.63 1.40 0.00 -1.45 0.00 0.00 42.92 43.69 2br5 s ASP 141 CO -0.12 -0.05 1.83 -0.07 0.13 0.00 0.00 175.17 176.90 2br5 h LEU 142 N 5.80 0.00 -1.14 -1.34 3.38 -1.85 -0.56 115.31 119.60 2br5 h LEU 142 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2br5 h LEU 142 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2br5 h LEU 142 CO -0.07 0.00 0.34 0.71 0.09 0.00 0.00 178.44 179.51 2br5 h THR 143 N 0.00 1.21 -1.06 0.22 1.35 -1.96 -1.38 112.91 111.29 2br5 h THR 143 Ca 0.00 -0.56 0.31 0.00 -0.55 0.00 0.00 66.41 65.61 2br5 h THR 143 Cb 0.11 0.33 -0.13 0.00 -1.73 0.00 0.00 68.15 66.73 2br5 h THR 143 CO 0.00 0.24 0.64 0.74 -0.25 0.00 0.00 175.52 176.90 2br5 h THR 144 N 0.94 0.36 0.00 6.82 2.02 -1.35 -1.87 112.91 119.84 2br5 h THR 144 Ca 0.24 -0.12 -0.21 0.00 0.77 0.00 0.00 66.41 67.08 2br5 h THR 144 Cb 0.06 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 2br5 h THR 144 CO -0.03 0.06 -1.86 0.49 0.37 0.00 0.00 175.52 174.55 2br5 n PHE 145 N -4.86 0.49 0.17 3.16 3.01 -0.88 -4.36 117.46 114.18 2br5 n PHE 145 Ca 0.30 0.16 0.02 0.00 1.01 0.00 0.00 57.45 58.95 2br5 n PHE 145 Cb 0.99 -0.96 0.34 0.00 -0.01 0.00 0.00 39.48 39.84 2br5 n PHE 145 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2br5 h GLU 146 N 0.00 0.04 -0.05 -1.08 5.08 -0.43 -2.35 114.58 115.79 2br5 h GLU 146 Ca -0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2br5 h GLU 146 Cb 1.73 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2br5 h GLU 146 CO 0.03 0.40 0.00 0.72 -1.00 0.00 0.00 179.01 179.16 2br5 n HIS 147 N -4.10 0.05 -1.93 4.33 8.25 -1.08 -4.85 115.22 115.88 2br5 n HIS 147 Ca -0.02 -0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 2br5 n HIS 147 Cb 0.41 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2br5 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br5 s LEU 148 N -1.83 4.37 0.00 2.41 2.01 -0.89 -5.01 118.68 119.73 2br5 s LEU 148 Ca 0.37 2.58 -0.05 0.00 0.01 0.00 0.00 54.13 57.04 2br5 s LEU 148 Cb 0.19 -3.59 0.08 0.00 0.01 0.00 0.00 46.19 42.88 2br5 s LEU 148 CO 0.31 -0.84 0.30 0.54 1.01 0.00 0.00 176.35 177.67 2br5 n ARG 149 N 4.38 -1.45 -2.31 1.70 5.12 -1.26 -4.98 116.66 117.86 2br5 n ARG 149 Ca 0.14 -0.47 -0.39 0.00 -1.93 0.00 0.00 57.85 55.20 2br5 n ARG 149 Cb 0.39 -0.43 -0.02 0.00 -1.16 0.00 0.00 32.46 31.24 2br5 n ARG 149 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2br5 s GLU 150 N -3.67 4.18 0.07 5.56 0.41 -1.26 -5.05 118.70 118.94 2br5 s GLU 150 Ca 0.19 1.86 0.09 0.00 -0.41 0.00 0.00 54.97 56.71 2br5 s GLU 150 Cb -0.02 -2.79 -0.03 0.00 -1.78 0.00 0.00 34.13 29.51 2br5 s GLU 150 CO 0.14 -0.22 -0.24 -1.64 -0.49 0.00 0.00 175.26 172.81 2br5 s MET 151 N -2.13 1.51 0.60 1.61 -1.94 -1.26 -5.14 119.30 112.55 2br5 s MET 151 Ca 0.54 -1.14 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 2br5 s MET 151 Cb -0.32 -1.76 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 2br5 s MET 151 CO 0.40 0.44 1.03 0.00 -0.01 0.00 0.00 175.02 176.88 2br5 s ALA 152 N -0.91 2.88 0.20 3.03 0.00 -1.26 -5.07 121.76 120.62 2br5 s ALA 152 Ca 0.11 0.18 0.11 0.00 0.00 0.00 0.00 51.96 52.36 2br5 s ALA 152 Cb -0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2br5 s ALA 152 CO 0.03 -0.72 -0.23 -1.01 0.00 0.00 0.00 175.76 173.83 2br5 s HIS 153 N -2.76 2.32 0.83 0.00 3.76 -1.26 -3.97 115.29 114.21 2br5 s HIS 153 Ca 0.59 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.04 2br5 s HIS 153 Cb -0.13 -1.14 0.09 0.00 1.11 0.00 0.00 32.58 32.51 2br5 s HIS 153 CO 0.42 0.51 1.09 -2.14 -0.85 0.00 0.00 174.74 173.78 2br5 s PRO 154 N -2.71 1.76 0.01 8.40 0.02 -1.26 -4.55 135.00 136.66 2br5 s PRO 154 Ca 0.21 1.03 0.01 0.00 0.02 0.00 0.00 61.00 62.28 2br5 s PRO 154 Cb -0.08 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 2br5 s PRO 154 CO 0.10 -1.95 -0.05 -1.17 -0.33 0.00 0.00 177.00 173.60 2br5 s LEU 155 N -6.09 2.07 -0.21 -5.54 0.20 -1.26 -1.35 118.68 106.50 2br5 s LEU 155 Ca 0.62 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 55.26 2br5 s LEU 155 Cb -0.18 -0.18 0.03 0.00 -0.43 0.00 0.00 46.19 45.44 2br5 s LEU 155 CO 0.57 -0.03 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.81 2br5 s ILE 156 N -0.45 2.20 -0.21 6.68 1.01 -0.78 -1.79 121.20 127.86 2br5 s ILE 156 Ca -0.02 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 2br5 s ILE 156 Cb -0.04 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2br5 s ILE 156 CO -0.00 0.33 0.07 0.12 0.00 0.00 0.00 174.94 175.46 2br5 s PHE 157 N 1.24 3.18 -0.07 3.97 5.36 0.01 -1.37 117.98 130.30 2br5 s PHE 157 Ca 0.00 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 55.92 2br5 s PHE 157 Cb -0.15 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2br5 s PHE 157 CO -0.10 -0.04 -0.23 0.42 -1.46 0.00 0.00 175.22 173.81 2br5 s ILE 158 N 0.88 1.94 -0.33 3.12 1.01 0.42 -1.13 121.20 127.12 2br5 s ILE 158 Ca 0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 2br5 s ILE 158 Cb -0.14 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2br5 s ILE 158 CO 0.03 0.54 0.15 -0.62 0.00 0.00 0.00 174.94 175.04 2br5 s ASP 159 N 0.05 5.51 0.00 3.58 3.68 -0.26 -0.96 116.67 128.26 2br5 s ASP 159 Ca -0.09 -0.70 0.03 0.00 2.13 0.00 0.00 52.55 53.92 2br5 s ASP 159 Cb -0.15 -1.98 -0.01 0.00 -1.45 0.00 0.00 42.92 39.33 2br5 s ASP 159 CO 0.05 -0.25 0.34 0.59 0.13 0.00 0.00 175.17 176.03 2br5 n ASN 160 N 4.96 0.64 -0.01 -0.34 3.02 0.11 -2.73 115.26 120.90 2br5 n ASN 160 Ca -0.13 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.51 2br5 n ASN 160 Cb 0.48 0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 40.09 2br5 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 h ALA 161 N 0.55 0.72 -6.43 5.41 0.00 -1.54 -3.45 119.26 114.52 2br5 h ALA 161 Ca 0.00 -1.41 -0.49 0.00 0.00 0.00 0.00 54.91 53.01 2br5 h ALA 161 Cb 0.11 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2br5 h ALA 161 CO 0.00 1.55 -0.83 0.72 0.00 0.00 0.00 179.25 180.68 2br5 n HIS 162 N -3.09 -1.88 -5.19 0.00 -0.00 -1.26 -5.00 115.22 98.80 2br5 n HIS 162 Ca -0.15 0.82 -0.30 0.00 -0.00 0.00 0.00 57.72 58.08 2br5 n HIS 162 Cb 1.04 -3.74 -0.16 0.00 -0.00 0.00 0.00 29.99 27.12 2br5 n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2br5 s ALA 163 N -3.59 2.01 -1.47 -1.41 0.00 -1.26 -4.74 121.76 111.29 2br5 s ALA 163 Ca 0.34 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 2br5 s ALA 163 Cb -0.18 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.50 2br5 s ALA 163 CO 0.87 0.45 0.65 -1.71 0.00 0.00 0.00 175.76 176.01 2br5 n ASN 164 N 2.70 -3.41 -0.07 0.00 4.05 -1.26 -4.66 115.26 112.61 2br5 n ASN 164 Ca -0.16 -0.71 -0.11 0.00 0.45 0.00 0.00 54.58 54.05 2br5 n ASN 164 Cb 0.52 -2.81 -0.04 0.00 1.23 0.00 0.00 39.78 38.68 2br5 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br5 h THR 165 N -1.23 1.18 -0.61 -0.44 2.02 -1.92 -2.69 112.91 109.22 2br5 h THR 165 Ca -0.50 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 2br5 h THR 165 Cb 1.33 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2br5 h THR 165 CO 0.65 0.19 0.06 -0.26 0.37 0.00 0.00 175.52 176.52 2br5 h PHE 166 N 0.21 1.12 -0.52 3.16 -1.00 -2.00 -1.80 116.94 116.11 2br5 h PHE 166 Ca 0.07 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.70 2br5 h PHE 166 Cb 0.21 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 2br5 h PHE 166 CO -0.00 0.98 0.35 -0.91 -1.61 0.00 0.00 178.31 177.11 2br5 h ASN 167 N 0.95 0.55 0.19 2.17 2.35 -1.95 -1.97 115.58 117.88 2br5 h ASN 167 Ca 0.18 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 2br5 h ASN 167 Cb 0.49 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2br5 h ASN 167 CO 0.02 0.39 -0.51 0.40 -1.65 0.00 0.00 177.43 176.08 2br5 h ILE 168 N 0.65 1.34 -0.62 2.81 2.04 -1.06 -1.68 117.51 120.99 2br5 h ILE 168 Ca 0.20 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.23 2br5 h ILE 168 Cb 0.01 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2br5 h ILE 168 CO -0.05 0.53 0.14 0.24 0.00 0.00 0.00 178.15 179.01 2br5 h MET 169 N 0.28 1.00 -0.66 2.37 2.86 -0.81 0.38 114.93 120.35 2br5 h MET 169 Ca 0.01 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2br5 h MET 169 Cb 1.00 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 2br5 h MET 169 CO 0.09 0.91 0.43 -0.22 1.06 0.00 0.00 176.91 179.18 2br5 h LYS 170 N 0.91 0.86 -0.23 1.72 3.64 -1.19 0.30 116.57 122.57 2br5 h LYS 170 Ca 0.19 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2br5 h LYS 170 Cb 0.38 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2br5 h LYS 170 CO 0.00 0.57 -0.02 2.35 -2.27 0.00 0.00 179.45 180.09 2br5 h TRP 171 N 0.88 0.46 -0.26 1.91 7.01 -1.14 -1.34 115.95 123.47 2br5 h TRP 171 Ca 0.24 -0.09 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 2br5 h TRP 171 Cb -0.09 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 2br5 h TRP 171 CO -0.03 0.61 -0.20 0.00 -2.79 0.00 0.00 178.44 176.03 2br5 h ALA 172 N 0.79 1.16 -0.02 2.65 0.00 -0.37 0.16 119.26 123.62 2br5 h ALA 172 Ca 0.06 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2br5 h ALA 172 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2br5 h ALA 172 CO 0.02 0.53 -0.78 0.28 0.00 0.00 0.00 179.25 179.29 2br5 h VAL 173 N 0.43 1.45 0.00 0.00 2.07 -0.35 0.28 116.25 120.14 2br5 h VAL 173 Ca 0.07 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.13 2br5 h VAL 173 Cb 0.60 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2br5 h VAL 173 CO 0.04 0.70 -0.48 0.44 0.02 0.00 0.00 177.57 178.30 2br5 h ASP 174 N 0.14 0.00 0.00 0.57 3.32 -0.51 -3.42 116.42 116.52 2br5 h ASP 174 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2br5 h ASP 174 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2br5 h ASP 174 CO 0.12 0.28 0.00 1.41 -1.72 0.00 0.00 179.24 179.33 2br5 n HIS 175 N -3.09 0.00 0.00 4.55 8.25 0.49 -4.97 115.22 120.45 2br5 n HIS 175 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2br5 n HIS 175 Cb 0.66 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2br5 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br5 n LEU 176 N -0.01 0.00 -4.67 2.41 7.94 -0.39 -5.00 117.00 117.29 2br5 n LEU 176 Ca 0.00 0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.48 2br5 n LEU 176 Cb 0.29 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.23 2br5 n LEU 176 CO 0.00 -0.39 0.95 -0.76 -1.11 0.00 0.00 177.39 176.08 2br5 s LEU 177 N -5.25 4.17 0.43 -1.96 1.43 -0.05 -5.04 118.68 112.41 2br5 s LEU 177 Ca 0.00 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 2br5 s LEU 177 Cb 0.00 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2br5 s LEU 177 CO 0.00 -0.65 0.60 -1.61 0.23 0.00 0.00 176.35 174.92 2br5 s GLU 178 N 2.98 2.90 -0.02 1.70 2.02 -1.26 -4.92 118.70 122.09 2br5 s GLU 178 Ca 0.49 -0.94 -0.35 0.00 0.02 0.00 0.00 54.97 54.19 2br5 s GLU 178 Cb -0.19 -2.68 -0.13 0.00 0.10 0.00 0.00 34.13 31.23 2br5 s GLU 178 CO 0.12 -0.27 1.72 -1.91 0.02 0.00 0.00 175.26 174.95 2br5 n GLU 179 N -1.94 1.94 0.00 1.61 2.13 -1.26 -1.95 120.64 121.17 2br5 n GLU 179 Ca 0.04 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2br5 n GLU 179 Cb 0.59 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.81 2br5 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br5 n GLY 180 N 3.90 2.58 3.65 8.31 0.00 -1.16 -5.01 105.19 117.47 2br5 n GLY 180 Ca 0.21 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2br5 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2br5 n ASP 181 N 0.19 0.98 -4.64 1.61 8.00 -0.82 -4.50 116.55 117.36 2br5 n ASP 181 Ca 0.00 0.71 -0.34 0.00 0.71 0.00 0.00 54.79 55.87 2br5 n ASP 181 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.54 2br5 n ASP 181 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2br5 s TYR 182 N -1.71 3.07 -0.16 1.24 1.51 -0.74 -1.01 117.35 119.55 2br5 s TYR 182 Ca 0.76 0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.96 2br5 s TYR 182 Cb -0.35 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2br5 s TYR 182 CO 0.47 0.42 -0.20 0.12 -1.11 0.00 0.00 175.55 175.25 2br5 s PHE 183 N -0.86 2.72 -0.23 2.71 5.36 -0.06 -0.81 117.98 126.82 2br5 s PHE 183 Ca 0.13 -1.39 0.00 0.00 -0.96 0.00 0.00 56.93 54.71 2br5 s PHE 183 Cb -0.11 -1.86 0.06 0.00 -0.34 0.00 0.00 43.02 40.76 2br5 s PHE 183 CO 0.02 -0.65 -0.04 0.42 -1.46 0.00 0.00 175.22 173.51 2br5 s ILE 184 N 0.98 1.38 -0.36 3.12 1.01 -0.28 -2.12 121.20 124.92 2br5 s ILE 184 Ca -0.03 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 2br5 s ILE 184 Cb -0.15 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.66 2br5 s ILE 184 CO -0.05 -0.11 0.67 -0.63 0.00 0.00 0.00 174.94 174.82 2br5 s ILE 185 N 1.47 4.85 0.35 2.92 1.01 -0.12 -1.11 121.20 130.57 2br5 s ILE 185 Ca -0.05 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 2br5 s ILE 185 Cb -0.18 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.09 2br5 s ILE 185 CO -0.06 -0.36 0.75 -1.61 0.00 0.00 0.00 174.94 173.66 2br5 s GLU 186 N 2.80 3.95 0.00 2.79 2.02 -1.11 -4.20 118.70 124.95 2br5 s GLU 186 Ca 0.26 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2br5 s GLU 186 Cb -0.14 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2br5 s GLU 186 CO 0.16 0.09 0.00 -0.25 0.02 0.00 0.00 175.26 175.28 2br5 n ASP 187 N -0.64 0.00 0.07 -0.19 8.00 0.97 -4.53 116.55 120.24 2br5 n ASP 187 Ca 0.03 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.72 2br5 n ASP 187 Cb 0.53 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.36 2br5 n ASP 187 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2br5 h MET 188 N 0.00 0.00 0.06 -1.24 4.05 -1.87 -3.34 114.93 112.59 2br5 h MET 188 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2br5 h MET 188 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2br5 h MET 188 CO 0.00 0.00 -0.07 0.82 0.23 0.00 0.00 176.91 177.89 2br5 h ILE 189 N 0.00 0.83 -1.01 1.77 2.04 -1.86 -1.21 117.51 118.08 2br5 h ILE 189 Ca 0.19 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 2br5 h ILE 189 Cb 0.84 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2br5 h ILE 189 CO -0.00 0.00 0.64 -0.65 0.00 0.00 0.00 178.15 178.13 2br5 h PRO 190 N -0.16 0.99 -0.47 2.37 0.11 -1.83 -1.64 132.00 131.38 2br5 h PRO 190 Ca 0.01 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 2br5 h PRO 190 Cb 0.16 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2br5 h PRO 190 CO -0.03 0.66 0.07 1.88 -0.21 0.00 0.00 178.00 180.37 2br5 h TYR 191 N 1.02 0.82 0.00 0.65 -1.99 -1.58 -1.66 116.97 114.24 2br5 h TYR 191 Ca 0.49 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 61.10 2br5 h TYR 191 Cb 0.45 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.95 2br5 h TYR 191 CO -0.00 0.77 -0.02 -1.49 -0.00 0.00 0.00 178.16 177.42 2br5 h TRP 192 N 0.64 0.00 0.00 4.88 6.55 -0.65 -1.48 115.95 125.89 2br5 h TRP 192 Ca 0.14 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.97 2br5 h TRP 192 Cb 0.39 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.69 2br5 h TRP 192 CO 0.03 0.02 -1.46 0.98 -1.05 0.00 0.00 178.44 176.95 2br5 n TYR 193 N -3.18 0.55 0.01 0.49 9.36 -0.67 -2.34 117.16 121.38 2br5 n TYR 193 Ca -0.02 0.16 -0.19 0.00 3.32 0.00 0.00 57.90 61.18 2br5 n TYR 193 Cb 0.17 -0.77 -0.09 0.00 -0.63 0.00 0.00 39.34 38.02 2br5 n TYR 193 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2br5 h ARG 194 N 0.00 0.76 0.00 2.98 2.43 -0.74 -3.30 114.38 116.51 2br5 h ARG 194 Ca -0.02 -0.70 -0.22 0.00 -0.81 0.00 0.00 59.98 58.23 2br5 h ARG 194 Cb 1.04 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 2br5 h ARG 194 CO 0.00 1.29 -1.76 0.66 -1.51 0.00 0.00 179.97 178.65 2br5 n TYR 195 N -3.90 0.65 -3.00 2.20 0.53 -0.61 -4.58 117.16 108.45 2br5 n TYR 195 Ca -0.09 0.22 -0.14 0.00 -1.02 0.00 0.00 57.90 56.87 2br5 n TYR 195 Cb 0.81 -1.02 0.02 0.00 -1.03 0.00 0.00 39.34 38.11 2br5 n TYR 195 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br5 n ALA 196 N -2.49 1.23 -0.14 -0.72 0.00 -0.99 -5.00 120.51 112.40 2br5 n ALA 196 Ca -0.16 -2.72 0.06 0.00 0.00 0.00 0.00 53.44 50.62 2br5 n ALA 196 Cb 0.92 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 19.75 2br5 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br5 h PRO 197 N 2.97 0.68 0.59 0.00 0.13 -1.72 -1.04 132.00 133.60 2br5 h PRO 197 Ca 0.01 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2br5 h PRO 197 Cb 1.04 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 32.02 2br5 h PRO 197 CO 0.37 0.45 -0.28 1.96 -0.23 0.00 0.00 178.00 180.26 2br5 h GLN 198 N 0.70 -0.76 -0.70 0.86 4.20 -1.93 -2.90 115.11 114.58 2br5 h GLN 198 Ca 0.27 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 2br5 h GLN 198 Cb 0.19 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2br5 h GLN 198 CO -0.08 -0.51 0.43 -0.07 -0.67 0.00 0.00 178.83 177.93 2br5 h LEU 199 N -0.91 0.82 -0.06 1.46 3.38 -1.92 -1.79 115.31 116.29 2br5 h LEU 199 Ca -0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2br5 h LEU 199 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2br5 h LEU 199 CO 0.13 0.62 -0.00 0.15 0.09 0.00 0.00 178.44 179.43 2br5 h PHE 200 N 0.95 0.11 -0.70 1.13 3.57 -1.29 -0.65 116.94 120.07 2br5 h PHE 200 Ca 0.25 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.83 2br5 h PHE 200 Cb -0.06 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 2br5 h PHE 200 CO 0.00 0.38 0.34 0.77 -2.23 0.00 0.00 178.31 177.58 2br5 h SER 201 N -0.19 0.44 -0.52 0.41 0.02 -1.35 -0.99 113.55 111.37 2br5 h SER 201 Ca 0.02 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2br5 h SER 201 Cb 0.34 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2br5 h SER 201 CO 0.00 0.25 0.32 -0.08 -1.14 0.00 0.00 176.83 176.18 2br5 h GLU 202 N 0.58 0.70 -0.26 3.45 4.81 -1.16 -1.95 114.58 120.75 2br5 h GLU 202 Ca 0.35 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 2br5 h GLU 202 Cb 0.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2br5 h GLU 202 CO -0.27 0.50 -0.44 1.88 -0.73 0.00 0.00 179.01 179.95 2br5 h TYR 203 N 0.69 0.81 -0.02 0.92 0.99 -0.66 -2.60 116.97 117.10 2br5 h TYR 203 Ca 0.19 -0.25 -0.18 0.00 2.00 0.00 0.00 58.73 60.48 2br5 h TYR 203 Cb -0.02 -0.17 0.01 0.00 1.00 0.00 0.00 36.73 37.56 2br5 h TYR 203 CO -0.03 0.99 -0.70 -0.07 -0.00 0.00 0.00 178.16 178.35 2br5 h LEU 204 N 0.54 0.66 -1.65 3.88 3.38 -1.08 -2.76 115.31 118.27 2br5 h LEU 204 Ca 0.04 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2br5 h LEU 204 Cb 0.98 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2br5 h LEU 204 CO 0.09 1.30 0.00 1.23 0.09 0.00 0.00 178.44 181.15 2br5 h GLY 205 N 0.08 0.00 1.97 0.83 0.00 -1.37 -1.34 103.07 103.24 2br5 h GLY 205 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2br5 h GLY 205 CO 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.67 2br5 h ALA 206 N 2.05 1.92 -0.65 3.60 0.00 -1.15 -2.68 119.26 122.37 2br5 h ALA 206 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2br5 h ALA 206 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2br5 h ALA 206 CO 0.00 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2br5 n PHE 207 N -4.50 1.60 -0.29 0.00 3.01 -0.51 -4.69 117.46 112.08 2br5 n PHE 207 Ca -0.02 -0.62 0.07 0.00 1.01 0.00 0.00 57.45 57.89 2br5 n PHE 207 Cb 0.12 -0.29 0.29 0.00 -0.01 0.00 0.00 39.48 39.59 2br5 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br5 h ARG 208 N 4.12 0.88 0.00 -1.08 0.11 -1.55 0.41 114.38 117.27 2br5 h ARG 208 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2br5 h ARG 208 Cb 1.54 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2br5 h ARG 208 CO 0.27 0.58 -0.01 -0.44 0.10 0.00 0.00 179.97 180.48 2br5 h ASP 209 N 0.90 0.00 0.00 0.08 3.32 -1.84 -3.36 116.42 115.52 2br5 h ASP 209 Ca 0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2br5 h ASP 209 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2br5 h ASP 209 CO -0.18 0.00 -1.27 1.33 -1.72 0.00 0.00 179.24 177.40 2br5 n VAL 210 N -2.62 0.00 -4.06 -1.35 0.24 -0.62 -4.93 118.33 104.99 2br5 n VAL 210 Ca 0.05 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2br5 n VAL 210 Cb 0.47 0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 33.09 2br5 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br5 s LEU 211 N -3.42 2.21 0.07 1.34 1.43 0.04 -3.43 118.68 116.92 2br5 s LEU 211 Ca -0.02 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2br5 s LEU 211 Cb 0.04 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 2br5 s LEU 211 CO 0.26 -0.17 -0.11 -0.94 0.23 0.00 0.00 176.35 175.62 2br5 s SER 212 N -1.29 1.33 -0.31 2.29 1.04 -0.32 -4.54 113.70 111.90 2br5 s SER 212 Ca -0.09 -0.65 -0.28 0.00 0.48 0.00 0.00 55.95 55.41 2br5 s SER 212 Cb -0.08 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.05 2br5 s SER 212 CO 0.00 -0.18 1.01 -0.32 0.98 0.00 0.00 173.24 174.74 2br5 s MET 213 N -2.00 4.05 -0.32 4.02 1.75 -1.26 -1.58 119.30 123.96 2br5 s MET 213 Ca -0.02 0.99 -0.29 0.00 -1.25 0.00 0.00 55.69 55.11 2br5 s MET 213 Cb -0.08 -3.73 0.00 0.00 2.84 0.00 0.00 34.83 33.87 2br5 s MET 213 CO 0.01 -0.84 1.29 0.34 -0.65 0.00 0.00 175.02 175.17 2br5 s ASP 214 N 1.62 6.65 0.25 1.11 -1.08 -1.02 -4.89 116.67 119.31 2br5 s ASP 214 Ca 0.43 1.12 0.24 0.00 -0.52 0.00 0.00 52.55 53.82 2br5 s ASP 214 Cb -0.13 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 2br5 s ASP 214 CO 0.14 -1.11 1.53 -0.03 0.52 0.00 0.00 175.17 176.22 2br5 h MET 215 N 9.35 0.00 0.00 4.34 4.05 -1.94 -2.11 114.93 128.61 2br5 h MET 215 Ca -0.26 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 2br5 h MET 215 Cb 1.09 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2br5 h MET 215 CO 1.04 0.00 -0.08 1.25 0.23 0.00 0.00 176.91 179.36 2br5 h LEU 216 N 0.00 0.00 0.00 3.39 5.85 -2.00 -3.37 115.31 119.19 2br5 h LEU 216 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2br5 h LEU 216 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2br5 h LEU 216 CO 0.00 0.08 -0.96 -1.22 -0.34 0.00 0.00 178.44 176.00 2br5 n TYR 217 N -3.18 0.00 0.26 1.25 0.53 -1.18 -4.86 117.16 109.98 2br5 n TYR 217 Ca 0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.03 2br5 n TYR 217 Cb 0.39 0.00 0.33 0.00 -1.03 0.00 0.00 39.34 39.03 2br5 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br5 h ALA 218 N 0.00 1.00 -0.55 -0.72 0.00 -1.54 -2.72 119.26 114.74 2br5 h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br5 h ALA 218 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2br5 h ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2br5 n ASN 219 N -3.04 4.93 -0.03 0.00 3.02 -1.26 -0.08 115.26 118.80 2br5 n ASN 219 Ca 0.03 -2.70 0.05 0.00 -0.03 0.00 0.00 54.58 51.93 2br5 n ASN 219 Cb 0.46 -0.60 -0.16 0.00 -0.61 0.00 0.00 39.78 38.86 2br5 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br5 n ALA 220 N 0.66 2.42 -2.50 5.41 0.00 -1.03 -4.96 120.51 120.52 2br5 n ALA 220 Ca 0.25 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 2br5 n ALA 220 Cb 0.99 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 2br5 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br5 s SER 221 N -4.83 0.26 0.24 0.00 1.04 -1.26 -4.84 113.70 104.31 2br5 s SER 221 Ca -0.08 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.58 2br5 s SER 221 Cb 0.12 0.24 0.29 0.00 0.10 0.00 0.00 66.02 66.77 2br5 s SER 221 CO 0.88 -0.59 1.88 -1.28 0.98 0.00 0.00 173.24 175.12 2br5 h SER 222 N 3.30 0.94 1.16 7.02 0.87 -1.96 -0.19 113.55 124.69 2br5 h SER 222 Ca -0.33 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.07 2br5 h SER 222 Cb 1.18 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2br5 h SER 222 CO 0.56 0.64 -0.74 1.56 -0.53 0.00 0.00 176.83 178.32 2br5 h GLN 223 N 1.10 0.00 0.00 2.24 4.20 -1.96 -3.19 115.11 117.50 2br5 h GLN 223 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2br5 h GLN 223 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2br5 h GLN 223 CO -0.13 0.74 -1.16 1.28 -0.67 0.00 0.00 178.83 178.89 2br5 n LEU 224 N -3.34 0.59 -3.32 1.46 4.77 -1.14 -0.02 117.00 116.00 2br5 n LEU 224 Ca 0.01 -0.10 -0.46 0.00 -0.03 0.00 0.00 56.01 55.43 2br5 n LEU 224 Cb 0.81 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.74 2br5 n LEU 224 CO 0.43 0.07 1.36 -0.67 -1.33 0.00 0.00 177.39 177.26 2br5 n ASP 225 N -1.93 0.57 0.00 -1.43 2.03 -0.10 -0.34 116.55 115.35 2br5 n ASP 225 Ca 0.01 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2br5 n ASP 225 Cb 0.44 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 2br5 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br5 n ARG 226 N 5.87 -0.37 -0.23 -0.67 1.74 0.89 -4.66 116.66 119.23 2br5 n ARG 226 Ca 0.43 0.09 0.06 0.00 -0.77 0.00 0.00 57.85 57.67 2br5 n ARG 226 Cb -0.03 -3.56 0.18 0.00 -1.02 0.00 0.00 32.46 28.03 2br5 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br5 n GLY 227 N -1.70 2.96 3.65 -0.13 0.00 0.54 -4.96 105.19 105.55 2br5 n GLY 227 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2br5 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br5 s VAL 228 N -1.31 5.17 0.05 1.61 1.01 -1.24 -0.94 120.40 124.76 2br5 s VAL 228 Ca 0.27 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2br5 s VAL 228 Cb 0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2br5 s VAL 228 CO 0.15 0.21 -0.03 -0.76 0.00 0.00 0.00 175.10 174.67 2br5 s LEU 229 N 1.59 2.49 0.24 3.92 1.43 -0.90 -2.44 118.68 125.01 2br5 s LEU 229 Ca 0.19 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 2br5 s LEU 229 Cb -0.15 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.25 2br5 s LEU 229 CO 0.09 -0.58 0.51 0.00 0.23 0.00 0.00 176.35 176.59 2br5 s ARG 230 N -3.86 1.54 -0.91 1.70 1.70 -0.62 -0.88 118.95 117.64 2br5 s ARG 230 Ca 0.07 -1.17 -0.24 0.00 -0.47 0.00 0.00 55.73 53.92 2br5 s ARG 230 Cb 0.07 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 2br5 s ARG 230 CO -0.09 -0.65 1.63 1.03 -1.08 0.00 0.00 175.30 176.14 2br5 s ARG 231 N -3.99 3.10 0.00 3.89 1.81 -0.18 -1.18 118.95 122.41 2br5 s ARG 231 Ca 0.19 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 2br5 s ARG 231 Cb -0.01 -5.02 0.00 0.00 -0.45 0.00 0.00 34.95 29.46 2br5 s ARG 231 CO 0.07 -2.64 0.00 1.33 -0.68 0.00 0.00 175.30 173.38