#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br4 h ASP 3 N 0.00 0.00 -0.16 6.41 3.45 -2.05 -2.78 116.42 121.29 2br4 h ASP 3 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2br4 h ASP 3 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2br4 h ASP 3 CO 0.00 0.00 0.05 0.10 -1.57 0.00 0.00 179.24 177.82 2br4 h TYR 4 N 0.00 0.32 0.00 4.55 -0.00 -2.07 -3.04 116.97 116.74 2br4 h TYR 4 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 58.73 58.65 2br4 h TYR 4 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 36.63 2br4 h TYR 4 CO 0.00 0.30 -0.35 0.66 -0.00 0.00 0.00 178.16 178.77 2br4 h SER 5 N 0.32 0.00 0.39 0.10 4.64 -2.00 -3.22 113.55 113.79 2br4 h SER 5 Ca 0.08 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.16 2br4 h SER 5 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2br4 h SER 5 CO -0.00 0.35 -1.03 0.03 -0.87 0.00 0.00 176.83 175.31 2br4 h ARG 6 N 0.00 0.39 -6.71 4.77 3.08 -1.73 -3.47 114.38 110.70 2br4 h ARG 6 Ca -0.00 -0.47 -0.50 0.00 0.07 0.00 0.00 59.98 59.07 2br4 h ARG 6 Cb 0.82 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 2br4 h ARG 6 CO 0.05 1.15 0.03 -0.65 -1.07 0.00 0.00 179.97 179.47 2br4 s GLN 7 N -3.11 3.76 -0.22 0.04 -0.21 -1.22 -5.07 119.66 113.62 2br4 s GLN 7 Ca -0.06 0.34 -0.10 0.00 0.02 0.00 0.00 55.36 55.57 2br4 s GLN 7 Cb 0.08 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.56 2br4 s GLN 7 CO 0.87 0.07 0.14 1.21 -2.12 0.00 0.00 175.29 175.47 2br4 s ASN 8 N -3.04 6.08 -0.20 5.90 2.47 -1.26 -5.04 114.94 119.86 2br4 s ASN 8 Ca 0.49 0.13 -0.16 0.00 0.42 0.00 0.00 52.86 53.75 2br4 s ASN 8 Cb -0.10 -2.09 -0.04 0.00 -1.45 0.00 0.00 41.25 37.57 2br4 s ASN 8 CO 0.29 0.10 0.40 -0.36 -3.72 0.00 0.00 177.10 173.81 2br4 s PHE 9 N 0.83 3.38 0.68 0.43 0.40 -1.26 -5.07 117.98 117.38 2br4 s PHE 9 Ca 0.07 0.62 -0.15 0.00 -0.60 0.00 0.00 56.93 56.88 2br4 s PHE 9 Cb -0.13 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.90 2br4 s PHE 9 CO 0.02 0.00 1.14 -0.51 0.70 0.00 0.00 175.22 176.58 2br4 s LEU 10 N 1.26 3.36 -0.38 -0.37 1.43 -1.26 -4.98 118.68 117.75 2br4 s LEU 10 Ca 0.19 2.11 -0.27 0.00 -1.03 0.00 0.00 54.13 55.13 2br4 s LEU 10 Cb -0.15 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2br4 s LEU 10 CO 0.08 -1.85 0.98 -0.62 0.23 0.00 0.00 176.35 175.17 2br4 s ASP 11 N -2.41 6.71 0.22 2.29 -1.08 -1.26 -4.90 116.67 116.24 2br4 s ASP 11 Ca 0.69 0.63 0.22 0.00 -0.52 0.00 0.00 52.55 53.57 2br4 s ASP 11 Cb -0.23 -2.49 0.93 0.00 -1.46 0.00 0.00 42.92 39.67 2br4 s ASP 11 CO 0.43 -0.92 1.67 0.18 0.52 0.00 0.00 175.17 177.05 2br4 n LEU 12 N 6.95 0.57 0.30 -1.34 4.32 -1.26 -1.62 117.00 124.92 2br4 n LEU 12 Ca 0.09 0.64 0.17 0.00 -0.02 0.00 0.00 56.01 56.89 2br4 n LEU 12 Cb 0.48 -0.57 0.94 0.00 -1.62 0.00 0.00 43.42 42.65 2br4 n LEU 12 CO 0.60 -0.53 1.10 0.78 -1.22 0.00 0.00 177.39 178.13 2br4 h ASN 13 N 0.00 0.00 -0.50 -1.43 -0.26 -2.00 -1.82 115.58 109.57 2br4 h ASN 13 Ca 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.81 2br4 h ASN 13 Cb 0.34 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 2br4 h ASN 13 CO 0.00 0.03 0.34 -0.07 -1.06 0.00 0.00 177.43 176.66 2br4 h LEU 14 N 0.00 0.33 -1.65 1.61 3.38 -1.72 -2.69 115.31 114.56 2br4 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2br4 h LEU 14 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2br4 h LEU 14 CO 0.00 0.21 0.00 0.49 0.09 0.00 0.00 178.44 179.23 2br4 n PHE 15 N -4.47 0.58 -1.68 1.13 0.99 -0.68 -4.93 117.46 108.40 2br4 n PHE 15 Ca 0.07 -0.29 -0.44 0.00 -0.00 0.00 0.00 57.45 56.79 2br4 n PHE 15 Cb 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.74 2br4 n PHE 15 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2br4 n ARG 16 N 0.82 2.56 -1.51 -1.08 0.00 -1.02 -2.08 116.66 114.35 2br4 n ARG 16 Ca 0.15 0.94 -0.18 0.00 -0.00 0.00 0.00 57.85 58.76 2br4 n ARG 16 Cb 0.38 -2.82 -0.08 0.00 0.00 0.00 0.00 32.46 29.95 2br4 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2br4 n GLY 17 N 4.30 1.71 1.59 5.14 0.00 -1.26 -4.77 105.19 111.90 2br4 n GLY 17 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2br4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br4 n LEU 18 N -2.01 0.10 0.00 0.99 4.77 -0.88 -5.10 117.00 114.87 2br4 n LEU 18 Ca -0.18 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2br4 n LEU 18 Cb 0.62 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2br4 n LEU 18 CO 0.27 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2br4 n GLY 19 N 2.18 1.73 0.15 -0.72 0.00 -0.97 -4.86 105.19 102.70 2br4 n GLY 19 Ca 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 2br4 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2br4 h GLU 20 N 0.00 0.26 -4.19 1.61 5.08 -1.99 -3.44 114.58 111.91 2br4 h GLU 20 Ca 0.00 -0.22 -0.49 0.00 -1.00 0.00 0.00 59.36 57.65 2br4 h GLU 20 Cb 0.00 0.05 -0.36 0.00 0.50 0.00 0.00 28.75 28.94 2br4 h GLU 20 CO 0.00 0.89 -0.80 0.34 -1.00 0.00 0.00 179.01 178.44 2br4 s ASP 21 N -6.93 1.78 0.40 1.42 -1.08 -1.26 -5.02 116.67 105.98 2br4 s ASP 21 Ca -0.04 -0.24 0.12 0.00 -0.52 0.00 0.00 52.55 51.88 2br4 s ASP 21 Cb 0.11 -0.71 0.95 0.00 -1.46 0.00 0.00 42.92 41.80 2br4 s ASP 21 CO 0.82 -0.08 1.91 -0.65 0.52 0.00 0.00 175.17 177.69 2br4 h PRO 22 N 7.73 0.52 -6.98 4.34 0.11 -1.90 -3.44 132.00 132.38 2br4 h PRO 22 Ca -0.30 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.27 2br4 h PRO 22 Cb 1.15 -0.12 0.07 0.00 0.11 0.00 0.00 31.00 32.21 2br4 h PRO 22 CO 0.41 0.34 0.52 0.00 -0.21 0.00 0.00 178.00 179.07 2br4 s ALA 23 N -5.52 3.06 0.08 -0.75 0.00 -1.26 -4.53 121.76 112.84 2br4 s ALA 23 Ca -0.09 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 2br4 s ALA 23 Cb 0.21 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2br4 s ALA 23 CO 0.77 -0.70 1.09 -0.47 0.00 0.00 0.00 175.76 176.46 2br4 s TYR 24 N -1.44 3.57 -0.20 0.00 5.04 -1.26 -4.90 117.35 118.15 2br4 s TYR 24 Ca 0.61 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 56.76 2br4 s TYR 24 Cb -0.32 -3.27 0.06 0.00 0.35 0.00 0.00 41.96 38.78 2br4 s TYR 24 CO 0.39 -0.63 -0.02 -1.01 -1.34 0.00 0.00 175.55 172.94 2br4 s HIS 25 N 0.64 1.69 0.22 4.97 3.76 -1.26 -5.01 115.29 120.30 2br4 s HIS 25 Ca 0.54 -1.25 -0.32 0.00 -0.15 0.00 0.00 55.06 53.88 2br4 s HIS 25 Cb -0.27 -1.30 -0.14 0.00 1.11 0.00 0.00 32.58 31.99 2br4 s HIS 25 CO 0.30 -0.67 1.44 -2.30 -0.85 0.00 0.00 174.74 172.66 2br4 n PRO 26 N 4.87 2.02 -1.41 8.40 -0.02 -1.26 -4.90 135.00 142.70 2br4 n PRO 26 Ca -0.11 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 2br4 n PRO 26 Cb 0.46 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2br4 n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2br4 n PRO 27 N 2.34 0.42 -4.05 0.52 -0.02 -1.26 -4.99 135.00 127.95 2br4 n PRO 27 Ca 0.13 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 2br4 n PRO 27 Cb 0.30 -1.46 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 2br4 n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2br4 s VAL 28 N -1.66 2.47 -0.01 -1.45 1.01 -1.26 -5.09 120.40 114.41 2br4 s VAL 28 Ca 0.64 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2br4 s VAL 28 Cb -0.53 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 2br4 s VAL 28 CO 0.58 0.45 1.84 -0.76 0.00 0.00 0.00 175.10 177.21 2br4 s LEU 29 N 1.33 4.37 -0.11 3.92 1.02 -1.26 -4.77 118.68 123.18 2br4 s LEU 29 Ca 0.04 2.48 0.10 0.00 0.02 0.00 0.00 54.13 56.76 2br4 s LEU 29 Cb -0.14 -3.53 -0.24 0.00 0.02 0.00 0.00 46.19 42.30 2br4 s LEU 29 CO -0.09 -1.02 0.39 0.35 0.02 0.00 0.00 176.35 176.00 2br4 n THR 30 N 5.57 1.58 -1.53 5.49 -2.24 -1.24 -4.61 114.28 117.30 2br4 n THR 30 Ca 0.19 -0.77 0.06 0.00 -2.27 0.00 0.00 64.05 61.26 2br4 n THR 30 Cb 0.42 -1.05 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 2br4 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2br4 n ASP 31 N -3.06 1.43 -3.63 3.42 3.85 -1.26 -5.06 116.55 112.22 2br4 n ASP 31 Ca -0.26 -2.75 -0.12 0.00 -0.71 0.00 0.00 54.79 50.95 2br4 n ASP 31 Cb 1.07 -0.36 -0.05 0.00 -1.35 0.00 0.00 41.12 40.43 2br4 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2br4 s ARG 32 N -1.79 0.99 0.50 0.11 1.70 -1.26 -5.12 118.95 114.09 2br4 s ARG 32 Ca 0.22 -0.45 -0.18 0.00 -0.47 0.00 0.00 55.73 54.85 2br4 s ARG 32 Cb 0.21 0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 34.95 2br4 s ARG 32 CO -0.00 -0.36 1.01 -1.25 -1.08 0.00 0.00 175.30 173.61 2br4 s PRO 33 N -2.90 3.84 0.25 3.89 0.04 -1.26 -4.89 135.00 133.97 2br4 s PRO 33 Ca -0.03 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.14 2br4 s PRO 33 Cb 0.00 -2.11 0.31 0.00 0.04 0.00 0.00 34.50 32.74 2br4 s PRO 33 CO -0.05 -0.37 1.77 -0.09 0.04 0.00 0.00 177.00 178.29 2br4 h ARG 34 N 1.21 0.87 -5.07 4.56 2.43 -2.01 -3.40 114.38 112.97 2br4 h ARG 34 Ca -0.48 -0.21 -0.63 0.00 -0.81 0.00 0.00 59.98 57.85 2br4 h ARG 34 Cb 1.20 -0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 30.49 2br4 h ARG 34 CO 0.60 0.83 -0.38 -0.51 -1.51 0.00 0.00 179.97 178.99 2br4 s ASP 35 N -6.59 6.16 -0.19 -3.80 1.01 -1.26 -5.07 116.67 106.93 2br4 s ASP 35 Ca -0.10 0.17 -0.05 0.00 0.71 0.00 0.00 52.55 53.28 2br4 s ASP 35 Cb 0.15 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 2br4 s ASP 35 CO 0.82 -0.09 -0.00 0.86 0.21 0.00 0.00 175.17 176.97 2br4 s TRP 36 N 1.73 3.06 0.30 4.23 -0.11 -1.26 -5.08 118.94 121.81 2br4 s TRP 36 Ca 0.11 -0.35 -0.29 0.00 1.22 0.00 0.00 56.10 56.79 2br4 s TRP 36 Cb -0.15 -2.05 -0.10 0.00 -1.50 0.00 0.00 33.47 29.67 2br4 s TRP 36 CO 0.09 -0.14 1.38 -1.25 -4.62 0.00 0.00 176.95 172.42 2br4 s PRO 37 N 0.75 4.29 0.28 5.86 0.04 -1.26 -4.92 135.00 140.03 2br4 s PRO 37 Ca 0.00 2.29 0.14 0.00 0.04 0.00 0.00 61.00 63.46 2br4 s PRO 37 Cb -0.14 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.60 2br4 s PRO 37 CO 0.02 -0.32 1.54 -0.07 0.04 0.00 0.00 177.00 178.21 2br4 h LEU 38 N 4.04 0.00 -1.66 -3.56 4.07 -1.98 -2.40 115.31 113.81 2br4 h LEU 38 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 2br4 h LEU 38 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2br4 h LEU 38 CO 0.70 0.59 0.00 -2.24 -1.08 0.00 0.00 178.44 176.41 2br4 h ASP 39 N 0.00 0.00 -0.51 -0.43 2.03 -2.07 -2.21 116.42 113.24 2br4 h ASP 39 Ca -0.01 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.95 2br4 h ASP 39 Cb 1.24 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.51 2br4 h ASP 39 CO 0.08 0.00 -0.34 0.54 -1.03 0.00 0.00 179.24 178.49 2br4 n ARG 40 N -2.70 2.55 -0.33 4.15 1.74 -0.91 -4.82 116.66 116.33 2br4 n ARG 40 Ca -0.00 -3.60 -0.01 0.00 -0.77 0.00 0.00 57.85 53.47 2br4 n ARG 40 Cb 0.17 -2.01 0.12 0.00 -1.02 0.00 0.00 32.46 29.73 2br4 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br4 h TRP 41 N 1.55 1.09 0.00 -1.55 7.01 -1.31 -2.51 115.95 120.23 2br4 h TRP 41 Ca 0.28 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 2br4 h TRP 41 Cb 1.40 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2br4 h TRP 41 CO 0.96 0.62 -0.04 0.00 -2.79 0.00 0.00 178.44 177.19 2br4 h ALA 42 N 1.38 1.04 0.00 2.65 0.00 -1.87 -2.73 119.26 119.73 2br4 h ALA 42 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2br4 h ALA 42 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2br4 h ALA 42 CO -0.13 0.06 -0.33 0.39 0.00 0.00 0.00 179.25 179.24 2br4 n GLU 43 N -3.20 0.22 -1.92 0.00 1.02 -0.95 -4.95 120.64 110.87 2br4 n GLU 43 Ca -0.00 0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 2br4 n GLU 43 Cb 0.27 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 2br4 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br4 s ALA 44 N -3.11 3.59 0.66 0.62 0.00 -1.03 -4.96 121.76 117.53 2br4 s ALA 44 Ca 0.09 1.45 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 2br4 s ALA 44 Cb 0.14 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 2br4 s ALA 44 CO 0.66 -0.88 1.26 -1.25 0.00 0.00 0.00 175.76 175.54 2br4 s PRO 45 N -1.51 2.50 -0.01 0.00 0.04 -1.26 -4.96 135.00 129.79 2br4 s PRO 45 Ca 0.54 1.95 0.14 0.00 0.04 0.00 0.00 61.00 63.67 2br4 s PRO 45 Cb -0.44 -1.85 -0.19 0.00 0.04 0.00 0.00 34.50 32.05 2br4 s PRO 45 CO 0.55 -1.61 0.36 0.54 0.04 0.00 0.00 177.00 176.88 2br4 n ARG 46 N -2.08 0.97 -1.42 4.56 5.12 -1.26 -5.01 116.66 117.54 2br4 n ARG 46 Ca 0.15 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 2br4 n ARG 46 Cb 0.49 -1.27 0.16 0.00 -1.16 0.00 0.00 32.46 30.68 2br4 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br4 s ASP 47 N -3.24 2.97 0.20 0.55 3.84 -1.26 -4.96 116.67 114.77 2br4 s ASP 47 Ca -0.02 0.94 -0.11 0.00 -0.00 0.00 0.00 52.55 53.36 2br4 s ASP 47 Cb 0.09 -1.47 0.20 0.00 -1.38 0.00 0.00 42.92 40.36 2br4 s ASP 47 CO 0.56 -2.89 1.79 0.25 -0.00 0.00 0.00 175.17 174.88 2br4 h LEU 48 N -1.73 0.41 0.00 2.11 5.85 -2.03 -3.46 115.31 116.46 2br4 h LEU 48 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2br4 h LEU 48 Cb 1.32 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2br4 h LEU 48 CO 0.57 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 2br4 n GLY 49 N -1.27 0.59 3.82 3.75 0.00 -1.26 -5.05 105.19 105.76 2br4 n GLY 49 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2br4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br4 s TYR 50 N -2.00 -0.02 0.06 1.61 -0.85 -1.26 -3.65 117.35 111.24 2br4 s TYR 50 Ca 0.00 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 55.86 2br4 s TYR 50 Cb 0.00 0.70 -0.08 0.00 0.38 0.00 0.00 41.96 42.96 2br4 s TYR 50 CO 0.00 -1.00 1.65 0.45 -1.52 0.00 0.00 175.55 175.13 2br4 s SER 51 N -3.14 6.61 -0.05 -0.18 0.15 -1.26 -4.90 113.70 110.93 2br4 s SER 51 Ca 0.16 2.47 0.05 0.00 0.70 0.00 0.00 55.95 59.33 2br4 s SER 51 Cb -0.03 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 2br4 s SER 51 CO 0.05 -0.89 0.96 -0.90 1.20 0.00 0.00 173.24 173.67 2br4 n ASP 52 N 5.66 2.07 0.00 5.45 5.75 -1.26 -4.64 116.55 129.58 2br4 n ASP 52 Ca 0.16 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 2br4 n ASP 52 Cb 0.41 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2br4 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br4 n PHE 53 N 0.18 0.00 -3.08 2.11 -0.00 -1.26 -4.56 117.46 110.85 2br4 n PHE 53 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.34 2br4 n PHE 53 Cb 0.44 -0.43 -0.04 0.00 -0.00 0.00 0.00 39.48 39.45 2br4 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br4 n SER 54 N -1.88 -0.90 -1.71 -2.13 2.88 -1.26 -4.99 113.62 103.63 2br4 n SER 54 Ca 0.00 -2.82 0.07 0.00 -1.33 0.00 0.00 58.87 54.79 2br4 n SER 54 Cb 0.00 0.14 0.36 0.00 -0.75 0.00 0.00 64.21 63.96 2br4 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br4 n PRO 55 N 1.73 4.31 -3.84 -1.46 -0.04 -1.26 -4.93 135.00 129.52 2br4 n PRO 55 Ca 0.19 -2.81 -0.27 0.00 -0.04 0.00 0.00 63.50 60.57 2br4 n PRO 55 Cb 0.55 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 2br4 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br4 s TYR 56 N -2.42 3.49 0.20 0.54 1.51 -1.26 -4.97 117.35 114.44 2br4 s TYR 56 Ca 0.49 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.63 2br4 s TYR 56 Cb 0.36 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2br4 s TYR 56 CO 0.16 0.46 0.43 1.14 -1.11 0.00 0.00 175.55 176.64 2br4 s GLN 57 N -3.24 1.35 -0.20 -0.62 -2.07 -1.26 -1.70 119.66 111.93 2br4 s GLN 57 Ca 0.36 -1.06 -0.04 0.00 -1.82 0.00 0.00 55.36 52.79 2br4 s GLN 57 Cb -0.11 0.46 0.09 0.00 -1.09 0.00 0.00 33.01 32.36 2br4 s GLN 57 CO 0.29 -0.55 0.19 -0.46 -1.32 0.00 0.00 175.29 173.43 2br4 s TRP 58 N -3.94 -0.14 -1.37 9.60 -0.11 0.11 -4.83 118.94 118.26 2br4 s TRP 58 Ca 0.15 0.04 -0.06 0.00 1.22 0.00 0.00 56.10 57.45 2br4 s TRP 58 Cb 0.00 -0.47 0.03 0.00 -1.50 0.00 0.00 33.47 31.54 2br4 s TRP 58 CO 0.01 -0.59 0.96 0.54 -4.62 0.00 0.00 176.95 173.26 2br4 n ARG 59 N 5.31 -6.20 -1.00 5.86 1.74 -1.26 -1.93 116.66 119.18 2br4 n ARG 59 Ca -0.06 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2br4 n ARG 59 Cb 0.49 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 2br4 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 60 N -1.64 0.57 3.48 -0.13 0.00 -1.26 -5.03 105.19 101.18 2br4 n GLY 60 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2br4 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br4 s LEU 61 N 0.00 2.73 0.50 0.99 1.43 -0.81 -4.42 118.68 119.10 2br4 s LEU 61 Ca 0.00 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2br4 s LEU 61 Cb 0.00 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 2br4 s LEU 61 CO 0.00 0.32 1.32 -0.13 0.23 0.00 0.00 176.35 178.09 2br4 s ARG 62 N -0.92 3.43 -0.15 1.70 0.52 -1.26 0.05 118.95 122.32 2br4 s ARG 62 Ca 0.13 2.15 -0.01 0.00 -0.52 0.00 0.00 55.73 57.48 2br4 s ARG 62 Cb -0.11 -2.39 0.04 0.00 0.52 0.00 0.00 34.95 33.01 2br4 s ARG 62 CO 0.02 -0.93 -0.05 -1.64 0.02 0.00 0.00 175.30 172.72 2br4 s MET 63 N -2.73 1.35 0.00 3.54 -1.94 -0.69 -3.55 119.30 115.28 2br4 s MET 63 Ca 0.67 -0.42 0.17 0.00 -1.71 0.00 0.00 55.69 54.39 2br4 s MET 63 Cb -0.38 -1.87 0.89 0.00 2.01 0.00 0.00 34.83 35.48 2br4 s MET 63 CO 0.46 -0.41 1.59 1.28 -0.01 0.00 0.00 175.02 177.93 2br4 n LEU 64 N 4.91 0.37 -4.56 -0.03 4.77 -1.26 -4.37 117.00 116.83 2br4 n LEU 64 Ca -0.12 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.31 2br4 n LEU 64 Cb 0.48 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2br4 n LEU 64 CO 0.16 0.08 -0.06 -0.54 -1.33 0.00 0.00 177.39 175.69 2br4 s LYS 65 N -1.95 3.70 0.74 3.23 1.02 -1.26 -5.08 119.74 120.14 2br4 s LYS 65 Ca 0.25 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 2br4 s LYS 65 Cb 0.12 -3.75 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2br4 s LYS 65 CO 0.20 -0.38 1.10 0.16 -0.92 0.00 0.00 175.35 175.51 2br4 s ASP 66 N 1.72 5.14 0.36 2.83 1.47 -1.26 -4.75 116.67 122.18 2br4 s ASP 66 Ca 0.09 1.19 0.09 0.00 1.18 0.00 0.00 52.55 55.10 2br4 s ASP 66 Cb -0.17 -1.96 0.84 0.00 -0.34 0.00 0.00 42.92 41.29 2br4 s ASP 66 CO 0.11 -1.54 1.88 -0.65 0.68 0.00 0.00 175.17 175.64 2br4 h PRO 67 N -0.79 0.65 -0.26 2.11 0.11 -1.98 -1.66 132.00 130.17 2br4 h PRO 67 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2br4 h PRO 67 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2br4 h PRO 67 CO 0.62 0.43 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.23 2br4 h ASP 68 N 0.67 0.45 -0.30 -2.05 3.45 -1.93 -1.39 116.42 115.32 2br4 h ASP 68 Ca 0.43 -0.13 -0.16 0.00 0.43 0.00 0.00 57.03 57.61 2br4 h ASP 68 Cb 0.71 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2br4 h ASP 68 CO -0.19 0.65 -0.43 0.74 -1.57 0.00 0.00 179.24 178.44 2br4 h THR 69 N 0.42 1.29 -1.00 0.35 2.02 -1.64 -2.90 112.91 111.46 2br4 h THR 69 Ca 0.07 -1.61 0.05 0.00 0.77 0.00 0.00 66.41 65.69 2br4 h THR 69 Cb 0.55 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 2br4 h THR 69 CO 0.04 0.52 0.65 1.56 0.37 0.00 0.00 175.52 178.66 2br4 h GLN 70 N 0.59 1.17 -0.31 6.66 4.20 -0.81 -1.26 115.11 125.34 2br4 h GLN 70 Ca 0.03 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 2br4 h GLN 70 Cb 1.03 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 2br4 h GLN 70 CO 0.10 0.77 -0.49 0.00 -0.67 0.00 0.00 178.83 178.54 2br4 h ALA 71 N 1.43 0.48 -0.25 3.87 0.00 -1.26 -0.15 119.26 123.38 2br4 h ALA 71 Ca 0.42 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2br4 h ALA 71 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2br4 h ALA 71 CO -0.15 0.66 0.09 0.28 0.00 0.00 0.00 179.25 180.13 2br4 h VAL 72 N 0.68 0.94 0.00 0.00 2.07 -1.27 -2.09 116.25 116.58 2br4 h VAL 72 Ca 0.03 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 2br4 h VAL 72 Cb 1.10 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2br4 h VAL 72 CO 0.11 0.04 -0.37 1.88 0.02 0.00 0.00 177.57 179.26 2br4 h TYR 73 N 0.21 0.00 0.10 1.57 0.99 -1.02 -1.21 116.97 117.62 2br4 h TYR 73 Ca 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 2br4 h TYR 73 Cb 0.07 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.80 2br4 h TYR 73 CO -0.12 0.37 -0.05 1.25 -0.00 0.00 0.00 178.16 179.60 2br4 h HIS 74 N 0.00 -0.13 -0.73 4.88 2.76 -0.77 -1.12 115.15 120.04 2br4 h HIS 74 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2br4 h HIS 74 Cb 0.77 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.73 2br4 h HIS 74 CO 0.00 0.01 0.42 -0.44 -1.30 0.00 0.00 177.93 176.62 2br4 h ASP 75 N -0.24 0.89 -0.00 3.26 3.32 -0.85 -1.00 116.42 121.79 2br4 h ASP 75 Ca -0.01 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 2br4 h ASP 75 Cb 0.20 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2br4 h ASP 75 CO 0.02 0.70 -0.62 -0.03 -1.72 0.00 0.00 179.24 177.60 2br4 h MET 76 N 1.01 0.61 -0.15 3.56 4.05 -1.20 -2.10 114.93 120.71 2br4 h MET 76 Ca 0.26 -0.42 -0.14 0.00 -0.28 0.00 0.00 59.70 59.12 2br4 h MET 76 Cb -0.00 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2br4 h MET 76 CO -0.05 1.04 -0.51 -0.07 0.23 0.00 0.00 176.91 177.55 2br4 h LEU 77 N 0.45 0.45 -0.42 3.39 4.07 -0.80 -1.61 115.31 120.84 2br4 h LEU 77 Ca -0.01 -0.23 -0.17 0.00 0.08 0.00 0.00 57.88 57.56 2br4 h LEU 77 Cb 1.19 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 2br4 h LEU 77 CO 0.12 0.88 -0.79 -0.25 -1.08 0.00 0.00 178.44 177.32 2br4 h TRP 78 N 0.32 0.11 0.03 1.13 2.91 -1.09 -1.59 115.95 117.77 2br4 h TRP 78 Ca 0.01 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 59.92 2br4 h TRP 78 Cb 1.01 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 2br4 h TRP 78 CO 0.03 0.83 -0.25 1.49 -1.03 0.00 0.00 178.44 179.51 2br4 h GLU 79 N 0.04 0.06 0.15 2.65 4.81 -1.38 -3.39 114.58 117.53 2br4 h GLU 79 Ca -0.02 -0.11 -0.29 0.00 -0.13 0.00 0.00 59.36 58.81 2br4 h GLU 79 Cb 1.39 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.82 2br4 h GLU 79 CO 0.11 1.05 -1.31 1.25 -0.73 0.00 0.00 179.01 179.38 2br4 h LEU 80 N -0.86 0.49 -3.01 1.64 6.46 -1.38 -3.49 115.31 115.16 2br4 h LEU 80 Ca -0.05 -0.54 -0.28 0.00 -0.12 0.00 0.00 57.88 56.90 2br4 h LEU 80 Cb 1.16 -0.16 0.04 0.00 -0.73 0.00 0.00 40.66 40.96 2br4 h LEU 80 CO 0.02 1.42 -0.63 0.54 -0.62 0.00 0.00 178.44 179.17 2br4 n ARG 81 N -3.55 -1.40 -2.45 1.25 1.74 -0.60 -4.83 116.66 106.81 2br4 n ARG 81 Ca -0.10 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 2br4 n ARG 81 Cb 1.04 -4.31 -0.04 0.00 -1.02 0.00 0.00 32.46 28.13 2br4 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br4 s PRO 82 N -4.48 4.61 0.00 5.56 0.04 -1.26 -4.60 135.00 134.87 2br4 s PRO 82 Ca 0.16 1.82 0.26 0.00 0.04 0.00 0.00 61.00 63.28 2br4 s PRO 82 Cb -0.05 -3.20 0.67 0.00 0.04 0.00 0.00 34.50 31.96 2br4 s PRO 82 CO 0.82 0.15 1.53 0.54 0.04 0.00 0.00 177.00 180.08 2br4 n ARG 83 N 1.47 0.00 -3.75 4.56 5.12 -0.09 -4.39 116.66 119.58 2br4 n ARG 83 Ca -0.00 -0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2br4 n ARG 83 Cb 0.45 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.14 2br4 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2br4 s THR 84 N -3.00 0.00 -0.22 0.55 2.01 -1.02 -2.00 115.64 111.97 2br4 s THR 84 Ca 0.12 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 2br4 s THR 84 Cb 0.18 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.27 2br4 s THR 84 CO 0.66 -0.01 0.06 -0.63 -0.69 0.00 0.00 174.62 174.01 2br4 s ILE 85 N 0.13 0.45 -0.24 1.82 1.01 -0.58 -1.74 121.20 122.04 2br4 s ILE 85 Ca -0.01 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 2br4 s ILE 85 Cb -0.03 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 2br4 s ILE 85 CO 0.01 -0.34 0.63 -0.69 0.00 0.00 0.00 174.94 174.54 2br4 s VAL 86 N 1.88 4.99 -0.28 2.92 1.01 -0.41 -1.34 120.40 129.16 2br4 s VAL 86 Ca 0.02 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 2br4 s VAL 86 Cb -0.17 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2br4 s VAL 86 CO -0.14 0.05 0.12 -1.61 0.00 0.00 0.00 175.10 173.52 2br4 s GLU 87 N 2.37 3.58 -0.20 2.72 0.41 0.13 -0.95 118.70 126.76 2br4 s GLU 87 Ca 0.27 -0.54 -0.19 0.00 -0.41 0.00 0.00 54.97 54.09 2br4 s GLU 87 Cb -0.16 -3.48 -0.03 0.00 -1.78 0.00 0.00 34.13 28.69 2br4 s GLU 87 CO 0.09 -0.28 0.54 -1.17 -0.49 0.00 0.00 175.26 173.96 2br4 s LEU 88 N 1.64 4.15 0.03 1.80 2.96 0.28 -0.95 118.68 128.59 2br4 s LEU 88 Ca 0.06 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 2br4 s LEU 88 Cb -0.16 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.78 2br4 s LEU 88 CO 0.06 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 2br4 n GLY 89 N 3.86 -3.89 0.56 7.98 0.00 0.14 -1.05 105.19 112.80 2br4 n GLY 89 Ca -0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2br4 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br4 n VAL 90 N 0.25 0.82 0.00 1.61 0.31 -1.24 -4.73 118.33 115.35 2br4 n VAL 90 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2br4 n VAL 90 Cb 0.00 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 2br4 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br4 n TYR 91 N -3.66 0.00 0.26 3.52 9.36 -1.26 -2.98 117.16 122.40 2br4 n TYR 91 Ca -0.26 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.11 2br4 n TYR 91 Cb 0.66 0.00 0.59 0.00 -0.63 0.00 0.00 39.34 39.97 2br4 n TYR 91 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 2br4 h ASN 92 N 0.00 0.00 0.00 2.98 -1.07 -1.86 -2.87 115.58 112.76 2br4 h ASN 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2br4 h ASN 92 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2br4 h ASN 92 CO 0.00 0.07 0.00 0.61 0.07 0.00 0.00 177.43 178.18 2br4 n GLY 93 N 0.11 0.82 0.32 9.14 0.00 -1.16 -0.31 105.19 114.12 2br4 n GLY 93 Ca 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2br4 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br4 h GLY 94 N 0.00 1.19 1.42 -0.02 0.00 -1.82 -2.30 103.07 101.55 2br4 h GLY 94 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 2br4 h GLY 94 CO 0.00 0.74 -0.10 1.48 0.00 0.00 0.00 176.54 178.66 2br4 h SER 95 N 1.03 0.67 0.11 0.19 4.64 -1.87 -0.91 113.55 117.41 2br4 h SER 95 Ca 0.20 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2br4 h SER 95 Cb 0.46 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2br4 h SER 95 CO 0.02 0.81 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.66 2br4 h LEU 96 N 0.63 -0.13 -1.20 5.97 4.07 -1.87 -0.55 115.31 122.24 2br4 h LEU 96 Ca 0.11 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 2br4 h LEU 96 Cb 0.54 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 2br4 h LEU 96 CO 0.03 -0.07 -0.08 0.00 -1.08 0.00 0.00 178.44 177.24 2br4 h ALA 97 N 0.71 1.34 0.11 1.53 0.00 -1.32 -1.47 119.26 120.16 2br4 h ALA 97 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2br4 h ALA 97 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2br4 h ALA 97 CO 0.03 0.45 -0.05 2.35 0.00 0.00 0.00 179.25 182.02 2br4 h TRP 98 N 0.43 -0.14 -0.70 0.00 7.01 -1.02 -0.35 115.95 121.17 2br4 h TRP 98 Ca 0.09 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.15 2br4 h TRP 98 Cb 0.41 0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.46 2br4 h TRP 98 CO 0.01 0.31 0.40 0.74 -2.79 0.00 0.00 178.44 177.11 2br4 h PHE 99 N -0.66 0.73 -0.47 2.65 0.05 -1.01 0.13 116.94 118.36 2br4 h PHE 99 Ca -0.02 0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 2br4 h PHE 99 Cb 0.51 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 38.22 2br4 h PHE 99 CO 0.08 0.35 -0.05 -0.09 -0.18 0.00 0.00 178.31 178.42 2br4 h ARG 100 N 0.73 0.87 -0.45 1.51 1.12 -1.27 -2.04 114.38 114.85 2br4 h ARG 100 Ca 0.32 -0.30 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 2br4 h ARG 100 Cb 0.20 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 2br4 h ARG 100 CO -0.19 0.94 -0.11 -0.44 -3.11 0.00 0.00 179.97 177.05 2br4 h ASP 101 N 0.72 0.81 -0.02 -3.80 3.32 -0.42 -2.53 116.42 114.50 2br4 h ASP 101 Ca 0.13 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2br4 h ASP 101 Cb 0.58 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2br4 h ASP 101 CO 0.03 0.95 -0.04 0.25 -1.72 0.00 0.00 179.24 178.71 2br4 h LEU 102 N 0.74 0.07 -1.32 1.55 5.85 -0.64 -2.37 115.31 119.18 2br4 h LEU 102 Ca 0.12 -0.59 0.15 0.00 0.84 0.00 0.00 57.88 58.40 2br4 h LEU 102 Cb 0.61 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2br4 h LEU 102 CO 0.04 0.65 0.57 0.71 -0.34 0.00 0.00 178.44 180.07 2br4 h THR 103 N -0.51 0.81 -0.43 1.05 1.35 -1.43 -2.64 112.91 111.11 2br4 h THR 103 Ca -0.00 -0.22 -0.15 0.00 -0.55 0.00 0.00 66.41 65.49 2br4 h THR 103 Cb 0.64 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 2br4 h THR 103 CO 0.01 0.12 -0.32 0.50 -0.25 0.00 0.00 175.52 175.58 2br4 h LYS 104 N 0.64 0.97 0.00 4.72 3.11 -1.17 -0.79 116.57 124.06 2br4 h LYS 104 Ca 0.45 -0.47 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2br4 h LYS 104 Cb 0.78 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2br4 h LYS 104 CO -0.20 1.14 0.00 -0.84 -2.81 0.00 0.00 179.45 176.74 2br4 h ILE 105 N 0.81 0.00 -0.00 2.00 3.07 -1.19 -2.97 117.51 119.22 2br4 h ILE 105 Ca 0.08 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2br4 h ILE 105 Cb 0.91 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2br4 h ILE 105 CO 0.08 0.00 -0.17 0.23 -1.05 0.00 0.00 178.15 177.24 2br4 n MET 106 N -2.70 0.58 -1.17 0.16 2.81 -1.02 -4.92 117.12 110.86 2br4 n MET 106 Ca 0.03 -0.24 -0.06 0.00 -1.81 0.00 0.00 57.70 55.63 2br4 n MET 106 Cb 0.38 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 2br4 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br4 n GLY 107 N 1.34 0.82 3.70 3.03 0.00 -1.11 -5.02 105.19 107.94 2br4 n GLY 107 Ca 0.12 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2br4 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br4 s ILE 108 N -2.20 5.14 -0.91 -0.61 1.01 -0.32 -5.02 121.20 118.28 2br4 s ILE 108 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 61.46 2br4 s ILE 108 Cb 0.00 -3.86 0.09 0.00 0.01 0.00 0.00 42.46 38.70 2br4 s ILE 108 CO 0.00 0.25 1.22 -0.62 0.00 0.00 0.00 174.94 175.79 2br4 s ASP 109 N 0.85 6.50 -0.05 3.58 3.68 -1.26 -4.14 116.67 125.82 2br4 s ASP 109 Ca 0.27 -1.61 0.06 0.00 2.13 0.00 0.00 52.55 53.39 2br4 s ASP 109 Cb -0.16 -2.47 -0.01 0.00 -1.45 0.00 0.00 42.92 38.83 2br4 s ASP 109 CO 0.11 -1.31 -0.23 0.00 0.13 0.00 0.00 175.17 173.87 2br4 s GLN 111 N -0.28 4.04 -0.20 0.00 -1.52 -0.85 -4.90 119.66 115.95 2br4 s GLN 111 Ca 0.00 0.16 -0.03 0.00 -1.95 0.00 0.00 55.36 53.54 2br4 s GLN 111 Cb -0.13 -3.33 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 2br4 s GLN 111 CO 0.03 0.44 -0.08 0.08 -0.25 0.00 0.00 175.29 175.51 2br4 s VAL 112 N -0.17 3.17 -0.14 1.09 1.01 -0.51 -1.53 120.40 123.32 2br4 s VAL 112 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2br4 s VAL 112 Cb -0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2br4 s VAL 112 CO 0.07 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 2br4 s ILE 113 N 1.24 2.88 -0.09 2.22 1.01 -0.45 -1.34 121.20 126.67 2br4 s ILE 113 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2br4 s ILE 113 Cb -0.14 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2br4 s ILE 113 CO -0.03 0.52 -0.08 -0.83 0.00 0.00 0.00 174.94 174.52 2br4 s GLY 114 N 0.60 1.66 0.04 6.18 0.00 -0.33 0.20 107.32 115.67 2br4 s GLY 114 Ca -0.08 -0.88 0.09 0.00 0.00 0.00 0.00 44.72 43.84 2br4 s GLY 114 CO 0.03 -0.48 -0.26 -0.42 0.00 0.00 0.00 173.10 171.97 2br4 s ILE 115 N -0.39 2.06 -0.27 0.90 1.01 -0.12 -1.36 121.20 123.03 2br4 s ILE 115 Ca 0.05 -1.34 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 2br4 s ILE 115 Cb -0.12 -1.76 0.14 0.00 0.01 0.00 0.00 42.46 40.73 2br4 s ILE 115 CO 0.02 0.36 1.15 -0.62 0.00 0.00 0.00 174.94 175.85 2br4 s ASP 116 N -1.19 -0.31 0.50 3.58 -1.08 -0.94 0.26 116.67 117.49 2br4 s ASP 116 Ca 0.11 0.56 0.24 0.00 -0.52 0.00 0.00 52.55 52.94 2br4 s ASP 116 Cb -0.10 0.55 1.33 0.00 -1.46 0.00 0.00 42.92 43.24 2br4 s ASP 116 CO 0.02 -0.14 2.04 0.08 0.52 0.00 0.00 175.17 177.69 2br4 h ARG 117 N 3.57 0.00 -3.54 4.34 0.11 -1.52 -2.81 114.38 114.53 2br4 h ARG 117 Ca -0.25 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.31 2br4 h ARG 117 Cb 1.18 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.86 2br4 h ARG 117 CO 0.16 0.14 -0.76 0.34 0.10 0.00 0.00 179.97 179.95 2br4 s ASP 118 N -6.34 2.89 -0.04 0.08 2.15 -1.26 -4.78 116.67 109.38 2br4 s ASP 118 Ca -0.03 -0.81 0.16 0.00 0.43 0.00 0.00 52.55 52.30 2br4 s ASP 118 Cb 0.14 -0.59 0.51 0.00 -0.30 0.00 0.00 42.92 42.68 2br4 s ASP 118 CO 0.61 -0.31 1.43 0.18 -0.17 0.00 0.00 175.17 176.92 2br4 n LEU 119 N 5.05 3.70 0.18 -1.34 4.77 -1.26 -4.46 117.00 123.64 2br4 n LEU 119 Ca -0.09 -2.19 0.05 0.00 -0.03 0.00 0.00 56.01 53.75 2br4 n LEU 119 Cb 0.47 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 2br4 n LEU 119 CO 0.13 0.82 0.64 0.77 -1.33 0.00 0.00 177.39 178.41 2br4 h SER 120 N 3.08 0.00 1.47 -1.43 4.64 -1.94 -2.90 113.55 116.48 2br4 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br4 h SER 120 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2br4 h SER 120 CO 0.07 0.39 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 2br4 n ARG 121 N -3.42 0.27 -1.78 4.77 1.74 -1.26 -4.84 116.66 112.14 2br4 n ARG 121 Ca 0.00 0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.89 2br4 n ARG 121 Cb 0.56 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 2br4 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2br4 n GLN 123 N 3.69 2.24 -2.06 0.00 1.13 0.58 -4.99 117.38 117.97 2br4 n GLN 123 Ca 0.14 -1.58 -0.42 0.00 -1.94 0.00 0.00 57.00 53.19 2br4 n GLN 123 Cb 0.36 -1.03 -0.03 0.00 0.11 0.00 0.00 30.24 29.66 2br4 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2br4 s ILE 124 N -1.22 3.66 0.58 5.09 1.01 -1.25 -4.97 121.20 124.09 2br4 s ILE 124 Ca 0.06 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 2br4 s ILE 124 Cb 0.05 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 2br4 s ILE 124 CO 0.01 -0.11 0.91 -2.65 0.00 0.00 0.00 174.94 173.10 2br4 n PRO 125 N 7.20 0.90 0.23 2.79 -0.02 -1.26 -4.89 135.00 139.94 2br4 n PRO 125 Ca 0.17 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 2br4 n PRO 125 Cb 0.43 -2.09 0.54 0.00 -0.02 0.00 0.00 33.50 32.36 2br4 n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2br4 h ALA 126 N 0.57 1.29 -0.07 3.55 0.00 -2.02 -1.98 119.26 120.61 2br4 h ALA 126 Ca -0.48 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2br4 h ALA 126 Cb 1.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2br4 h ALA 126 CO 0.51 0.28 -0.30 0.66 0.00 0.00 0.00 179.25 180.41 2br4 h SER 127 N 0.00 0.13 -0.93 0.00 4.64 -2.03 -3.29 113.55 112.06 2br4 h SER 127 Ca -0.00 -0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.71 2br4 h SER 127 Cb 0.51 -0.03 -0.28 0.00 -0.31 0.00 0.00 62.40 62.29 2br4 h SER 127 CO 0.03 0.43 0.73 -0.67 -0.87 0.00 0.00 176.83 176.47 2br4 n ASP 128 N -4.15 5.80 -0.63 4.97 2.03 -0.74 -4.48 116.55 119.34 2br4 n ASP 128 Ca -0.01 -3.61 0.06 0.00 0.52 0.00 0.00 54.79 51.75 2br4 n ASP 128 Cb 0.37 -0.91 0.20 0.00 -0.72 0.00 0.00 41.12 40.06 2br4 n ASP 128 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2br4 n MET 129 N -0.88 1.91 -1.91 -0.67 1.56 -1.24 -4.83 117.12 111.05 2br4 n MET 129 Ca 0.57 -2.91 -0.42 0.00 -0.27 0.00 0.00 57.70 54.67 2br4 n MET 129 Cb 1.08 -1.69 -0.03 0.00 2.15 0.00 0.00 33.22 34.73 2br4 n MET 129 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2br4 s GLU 130 N -3.01 4.21 -1.76 2.12 -6.30 -1.26 -2.48 118.70 110.21 2br4 s GLU 130 Ca 0.39 2.39 -0.01 0.00 -2.50 0.00 0.00 54.97 55.24 2br4 s GLU 130 Cb 0.34 -3.14 0.00 0.00 0.00 0.00 0.00 34.13 31.33 2br4 s GLU 130 CO 0.02 -0.61 0.08 0.09 0.02 0.00 0.00 175.26 174.86 2br4 n ASN 131 N 3.80 -5.96 -4.08 -1.70 5.03 -1.26 -4.98 115.26 106.10 2br4 n ASN 131 Ca 0.13 -0.05 -0.21 0.00 0.87 0.00 0.00 54.58 55.32 2br4 n ASN 131 Cb 0.38 -4.94 -0.15 0.00 -1.02 0.00 0.00 39.78 34.05 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2br4 s ILE 132 N -3.06 1.00 -0.05 2.41 1.01 -1.04 -1.42 121.20 120.06 2br4 s ILE 132 Ca 0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2br4 s ILE 132 Cb -0.02 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.64 2br4 s ILE 132 CO 0.05 0.28 -0.01 -0.89 0.00 0.00 0.00 174.94 174.37 2br4 s THR 133 N -0.27 0.34 -0.10 2.92 2.01 -0.45 -4.98 115.64 115.11 2br4 s THR 133 Ca 0.04 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 2br4 s THR 133 Cb -0.05 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2br4 s THR 133 CO -0.00 0.21 0.08 -0.76 -0.69 0.00 0.00 174.62 173.45 2br4 s LEU 134 N 1.39 4.02 -0.04 4.42 1.02 -1.26 -1.18 118.68 127.04 2br4 s LEU 134 Ca -0.04 0.32 -0.01 0.00 0.02 0.00 0.00 54.13 54.42 2br4 s LEU 134 Cb -0.13 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.14 2br4 s LEU 134 CO -0.02 0.39 0.02 -1.00 0.02 0.00 0.00 176.35 175.75 2br4 s HIS 135 N -0.97 0.34 -0.55 0.29 3.76 -0.47 -4.98 115.29 112.71 2br4 s HIS 135 Ca 0.14 0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.91 2br4 s HIS 135 Cb -0.12 -0.53 0.13 0.00 1.11 0.00 0.00 32.58 33.18 2br4 s HIS 135 CO 0.03 -0.19 0.53 -1.14 -0.85 0.00 0.00 174.74 173.12 2br4 s GLN 136 N 1.54 3.01 0.26 1.40 0.74 -1.26 -2.22 119.66 123.13 2br4 s GLN 136 Ca -0.02 -1.68 -0.06 0.00 0.05 0.00 0.00 55.36 53.65 2br4 s GLN 136 Cb -0.13 -4.30 -0.02 0.00 1.10 0.00 0.00 33.01 29.67 2br4 s GLN 136 CO -0.03 -1.36 0.36 0.20 -0.55 0.00 0.00 175.29 173.91 2br4 s GLY 137 N 3.58 1.14 0.07 2.59 0.00 -1.06 -4.95 107.32 108.68 2br4 s GLY 137 Ca 0.04 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.31 2br4 s GLY 137 CO 0.03 -1.00 0.38 -0.35 0.00 0.00 0.00 173.10 172.16 2br4 s ASP 138 N -3.13 6.63 0.10 1.64 2.15 -1.26 -1.35 116.67 121.44 2br4 s ASP 138 Ca 0.30 0.77 -0.13 0.00 0.43 0.00 0.00 52.55 53.92 2br4 s ASP 138 Cb 0.02 -2.17 -0.16 0.00 -0.30 0.00 0.00 42.92 40.31 2br4 s ASP 138 CO 0.14 0.19 1.30 0.00 -0.17 0.00 0.00 175.17 176.63 2br4 h SER 140 N 0.50 -0.62 -2.86 0.00 0.02 -1.92 -3.40 113.55 105.27 2br4 h SER 140 Ca -0.05 0.14 -0.56 0.00 -0.84 0.00 0.00 61.79 60.48 2br4 h SER 140 Cb 1.36 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 64.21 2br4 h SER 140 CO 0.15 -0.22 0.92 -0.62 -1.14 0.00 0.00 176.83 175.92 2br4 s ASP 141 N -5.13 6.88 0.12 3.07 2.15 -1.21 -4.91 116.67 117.63 2br4 s ASP 141 Ca -0.14 1.88 0.20 0.00 0.43 0.00 0.00 52.55 54.91 2br4 s ASP 141 Cb 0.14 -2.54 0.82 0.00 -0.30 0.00 0.00 42.92 41.03 2br4 s ASP 141 CO 0.70 -0.78 1.61 0.18 -0.17 0.00 0.00 175.17 176.71 2br4 n LEU 142 N 6.45 0.32 0.21 -1.34 4.77 -1.26 -3.00 117.00 123.15 2br4 n LEU 142 Ca 0.14 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.75 2br4 n LEU 142 Cb 0.44 -0.52 0.45 0.00 -2.33 0.00 0.00 43.42 41.46 2br4 n LEU 142 CO 0.58 -0.36 0.80 0.74 -1.33 0.00 0.00 177.39 177.81 2br4 h THR 143 N 0.00 1.06 -0.61 -5.08 2.02 -1.91 -2.69 112.91 105.70 2br4 h THR 143 Ca 0.00 -1.05 0.11 0.00 0.77 0.00 0.00 66.41 66.24 2br4 h THR 143 Cb 0.34 1.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.25 2br4 h THR 143 CO 0.00 0.29 0.14 0.74 0.37 0.00 0.00 175.52 177.06 2br4 h THR 144 N 0.00 0.65 0.13 3.16 2.02 -1.78 -2.72 112.91 114.37 2br4 h THR 144 Ca -0.00 -0.09 -0.28 0.00 0.77 0.00 0.00 66.41 66.80 2br4 h THR 144 Cb 0.57 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2br4 h THR 144 CO 0.04 0.05 -1.29 -0.26 0.37 0.00 0.00 175.52 174.43 2br4 h PHE 145 N 0.28 0.52 -0.59 3.16 -1.00 -1.74 -3.30 116.94 114.27 2br4 h PHE 145 Ca 0.32 -0.38 0.07 0.00 2.81 0.00 0.00 57.97 60.80 2br4 h PHE 145 Cb 0.48 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 2br4 h PHE 145 CO -0.24 1.31 0.39 0.93 -1.61 0.00 0.00 178.31 179.09 2br4 h GLU 146 N 0.08 0.50 0.00 1.51 5.08 -1.25 -3.09 114.58 117.41 2br4 h GLU 146 Ca -0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2br4 h GLU 146 Cb 1.99 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2br4 h GLU 146 CO 0.20 0.33 0.00 0.72 -1.00 0.00 0.00 179.01 179.26 2br4 n HIS 147 N -4.48 0.00 -3.63 4.33 8.25 -1.05 -4.53 115.22 114.12 2br4 n HIS 147 Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.40 2br4 n HIS 147 Cb 0.28 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 2br4 n HIS 147 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2br4 s LEU 148 N -2.49 -0.44 0.00 2.41 2.96 -1.17 -5.06 118.68 114.89 2br4 s LEU 148 Ca 0.20 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 2br4 s LEU 148 Cb 0.13 2.23 0.05 0.00 0.50 0.00 0.00 46.19 49.10 2br4 s LEU 148 CO 0.28 -0.31 0.82 -2.11 -1.32 0.00 0.00 176.35 173.71 2br4 n ARG 149 N 2.30 0.00 -2.89 1.98 1.85 -1.26 -4.91 116.66 113.73 2br4 n ARG 149 Ca -0.15 -0.71 -0.44 0.00 -1.00 0.00 0.00 57.85 55.55 2br4 n ARG 149 Cb 0.56 -0.12 -0.02 0.00 -1.05 0.00 0.00 32.46 31.83 2br4 n ARG 149 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2br4 s GLU 150 N 0.00 3.77 -0.03 2.89 8.01 -1.26 -4.97 118.70 127.12 2br4 s GLU 150 Ca 0.04 -1.99 0.03 0.00 0.01 0.00 0.00 54.97 53.06 2br4 s GLU 150 Cb 0.04 -5.03 0.00 0.00 -4.31 0.00 0.00 34.13 24.84 2br4 s GLU 150 CO -0.02 -1.83 -0.10 -1.64 0.01 0.00 0.00 175.26 171.68 2br4 s MET 151 N 2.58 1.10 0.54 1.61 -1.94 -1.26 -5.15 119.30 116.78 2br4 s MET 151 Ca 0.38 -0.33 -0.17 0.00 -1.71 0.00 0.00 55.69 53.85 2br4 s MET 151 Cb -0.03 -1.01 -0.06 0.00 2.01 0.00 0.00 34.83 35.74 2br4 s MET 151 CO -0.06 0.11 1.02 0.00 -0.01 0.00 0.00 175.02 176.09 2br4 s ALA 152 N 0.26 2.89 0.24 3.03 0.00 -1.26 -5.05 121.76 121.86 2br4 s ALA 152 Ca -0.05 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.39 2br4 s ALA 152 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2br4 s ALA 152 CO 0.01 -0.47 -0.10 -1.01 0.00 0.00 0.00 175.76 174.19 2br4 s HIS 153 N -2.39 2.54 0.99 0.00 3.76 -1.26 -3.72 115.29 115.21 2br4 s HIS 153 Ca 0.63 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 55.15 2br4 s HIS 153 Cb -0.14 -1.16 0.18 0.00 1.11 0.00 0.00 32.58 32.57 2br4 s HIS 153 CO 0.30 0.60 1.09 -2.14 -0.85 0.00 0.00 174.74 173.74 2br4 s PRO 154 N -3.28 0.48 -0.10 8.40 0.02 -1.26 -4.51 135.00 134.75 2br4 s PRO 154 Ca 0.28 0.59 -0.05 0.00 0.02 0.00 0.00 61.00 61.84 2br4 s PRO 154 Cb -0.07 -1.74 0.05 0.00 0.02 0.00 0.00 34.50 32.76 2br4 s PRO 154 CO 0.16 -2.72 0.23 -1.17 -0.33 0.00 0.00 177.00 173.17 2br4 s LEU 155 N -6.47 0.44 -0.19 -5.54 0.20 -1.26 -0.91 118.68 104.95 2br4 s LEU 155 Ca 0.65 0.48 -0.04 0.00 0.69 0.00 0.00 54.13 55.92 2br4 s LEU 155 Cb -0.19 0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 46.21 2br4 s LEU 155 CO 0.58 -0.17 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.80 2br4 s ILE 156 N 1.30 3.63 -0.23 6.68 1.01 -0.71 -1.09 121.20 131.79 2br4 s ILE 156 Ca -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2br4 s ILE 156 Cb -0.11 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2br4 s ILE 156 CO -0.08 0.45 -0.05 0.12 0.00 0.00 0.00 174.94 175.38 2br4 s PHE 157 N 0.90 2.97 -0.17 3.97 5.36 -0.40 -1.29 117.98 129.33 2br4 s PHE 157 Ca -0.00 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 54.84 2br4 s PHE 157 Cb -0.15 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.44 2br4 s PHE 157 CO 0.01 -0.61 -0.12 0.42 -1.46 0.00 0.00 175.22 173.47 2br4 s ILE 158 N 1.44 2.91 -0.42 3.12 1.01 -0.13 -0.32 121.20 128.80 2br4 s ILE 158 Ca 0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2br4 s ILE 158 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2br4 s ILE 158 CO -0.04 0.49 0.52 -0.62 0.00 0.00 0.00 174.94 175.29 2br4 s ASP 159 N 0.97 6.25 0.00 3.58 -1.08 0.19 -0.56 116.67 126.02 2br4 s ASP 159 Ca -0.02 -0.50 0.06 0.00 -0.52 0.00 0.00 52.55 51.57 2br4 s ASP 159 Cb -0.15 -2.26 -0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2br4 s ASP 159 CO -0.01 -0.64 0.47 0.47 0.52 0.00 0.00 175.17 175.97 2br4 n ASP 160 N 5.85 0.90 0.03 -0.34 8.00 -0.21 -2.74 116.55 128.04 2br4 n ASP 160 Ca -0.05 -0.95 -0.13 0.00 0.71 0.00 0.00 54.79 54.37 2br4 n ASP 160 Cb 0.48 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 42.04 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2br4 h ALA 161 N 0.96 0.47 -1.56 2.24 0.00 -1.79 -3.45 119.26 116.12 2br4 h ALA 161 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 54.91 53.98 2br4 h ALA 161 Cb 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2br4 h ALA 161 CO 0.00 0.74 -0.35 0.72 0.00 0.00 0.00 179.25 180.36 2br4 n HIS 162 N -3.86 -0.42 -5.24 0.00 8.25 -1.26 -5.01 115.22 107.68 2br4 n HIS 162 Ca -0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.09 2br4 n HIS 162 Cb 0.74 -2.97 -0.16 0.00 1.12 0.00 0.00 29.99 28.72 2br4 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br4 s ALA 163 N -2.68 2.17 -1.21 -1.41 0.00 -1.26 -4.72 121.76 112.64 2br4 s ALA 163 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 2br4 s ALA 163 Cb 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 23.12 22.69 2br4 s ALA 163 CO 0.00 0.53 0.44 -1.71 0.00 0.00 0.00 175.76 175.01 2br4 n ASN 164 N 2.34 -2.65 -0.35 0.00 5.15 -1.26 -4.59 115.26 113.89 2br4 n ASN 164 Ca -0.16 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 2br4 n ASN 164 Cb 0.51 -2.25 0.14 0.00 -0.53 0.00 0.00 39.78 37.65 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2br4 h THR 165 N -0.77 1.14 0.04 -0.44 2.02 -1.95 -2.64 112.91 110.31 2br4 h THR 165 Ca -0.40 -0.41 -0.23 0.00 0.77 0.00 0.00 66.41 66.14 2br4 h THR 165 Cb 1.26 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2br4 h THR 165 CO 0.54 0.22 -1.02 -0.26 0.37 0.00 0.00 175.52 175.37 2br4 h PHE 166 N 1.19 0.51 -0.38 3.16 -1.00 -2.00 -1.51 116.94 116.91 2br4 h PHE 166 Ca 0.39 -0.31 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 2br4 h PHE 166 Cb 0.04 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 2br4 h PHE 166 CO -0.01 1.15 -0.02 -0.91 -1.61 0.00 0.00 178.31 176.91 2br4 h ASN 167 N 0.16 0.59 -0.35 2.17 4.21 -1.92 -2.63 115.58 117.81 2br4 h ASN 167 Ca -0.09 -0.13 -0.09 0.00 1.21 0.00 0.00 56.30 57.20 2br4 h ASN 167 Cb 1.68 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.71 2br4 h ASN 167 CO 0.17 0.67 -0.09 0.40 -1.29 0.00 0.00 177.43 177.30 2br4 h ILE 168 N 0.58 1.25 -0.23 2.81 2.04 -1.19 -2.71 117.51 120.06 2br4 h ILE 168 Ca 0.12 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 2br4 h ILE 168 Cb 0.41 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2br4 h ILE 168 CO 0.02 0.39 -0.19 -0.03 0.00 0.00 0.00 178.15 178.34 2br4 h MET 169 N 0.70 0.41 0.62 2.37 4.05 -1.01 -1.58 114.93 120.49 2br4 h MET 169 Ca 0.12 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2br4 h MET 169 Cb 0.56 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2br4 h MET 169 CO 0.03 0.59 -0.30 -0.22 0.23 0.00 0.00 176.91 177.25 2br4 h LYS 170 N 0.38 -0.80 -0.89 0.39 3.64 -1.17 -1.88 116.57 116.23 2br4 h LYS 170 Ca 0.06 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.72 2br4 h LYS 170 Cb 0.55 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 2br4 h LYS 170 CO 0.04 -0.49 0.61 2.35 -2.27 0.00 0.00 179.45 179.68 2br4 h TRP 171 N -0.98 0.35 0.12 1.91 7.01 -1.38 -2.11 115.95 120.86 2br4 h TRP 171 Ca -0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2br4 h TRP 171 Cb 0.68 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 2br4 h TRP 171 CO -0.01 0.08 -0.06 0.00 -2.79 0.00 0.00 178.44 175.67 2br4 h ALA 172 N 1.60 -0.17 -0.85 2.65 0.00 -0.92 -1.14 119.26 120.43 2br4 h ALA 172 Ca 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2br4 h ALA 172 Cb 1.37 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2br4 h ALA 172 CO -0.12 -0.39 0.52 0.28 0.00 0.00 0.00 179.25 179.54 2br4 h VAL 173 N -0.57 1.23 -0.02 0.00 2.07 -0.72 -1.29 116.25 116.95 2br4 h VAL 173 Ca -0.02 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2br4 h VAL 173 Cb 0.45 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2br4 h VAL 173 CO 0.03 0.24 -0.22 0.44 0.02 0.00 0.00 177.57 178.08 2br4 h ASP 174 N 1.17 0.22 -0.13 0.57 3.32 -1.43 -3.39 116.42 116.75 2br4 h ASP 174 Ca 0.31 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2br4 h ASP 174 Cb -0.06 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2br4 h ASP 174 CO -0.06 0.92 0.00 1.41 -1.72 0.00 0.00 179.24 179.79 2br4 n HIS 175 N -4.53 0.36 0.18 4.55 8.25 -0.43 -4.85 115.22 118.74 2br4 n HIS 175 Ca -0.09 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 2br4 n HIS 175 Cb 0.47 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2br4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br4 n LEU 176 N -0.71 -2.67 -4.76 2.41 7.94 -0.79 -4.99 117.00 113.43 2br4 n LEU 176 Ca 0.14 0.67 -0.40 0.00 -1.11 0.00 0.00 56.01 55.31 2br4 n LEU 176 Cb 0.62 2.59 -0.05 0.00 0.53 0.00 0.00 43.42 47.11 2br4 n LEU 176 CO 0.06 -0.07 0.74 -0.76 -1.11 0.00 0.00 177.39 176.25 2br4 s LEU 177 N -6.60 4.57 0.52 -1.96 1.43 -0.55 -5.04 118.68 111.04 2br4 s LEU 177 Ca 0.00 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.28 2br4 s LEU 177 Cb 0.00 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2br4 s LEU 177 CO 0.00 -0.04 0.22 -1.61 0.23 0.00 0.00 176.35 175.14 2br4 s GLU 178 N -1.40 2.23 0.07 1.70 2.02 -1.26 -4.91 118.70 117.15 2br4 s GLU 178 Ca 0.44 -2.17 -0.30 0.00 0.02 0.00 0.00 54.97 52.96 2br4 s GLU 178 Cb -0.29 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 2br4 s GLU 178 CO 0.37 -0.47 1.89 -2.00 0.02 0.00 0.00 175.26 175.07 2br4 s GLU 179 N -4.08 4.14 0.00 1.61 2.12 -1.26 -2.30 118.70 118.93 2br4 s GLU 179 Ca 0.23 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.14 2br4 s GLU 179 Cb -0.00 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.49 2br4 s GLU 179 CO 0.14 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 2br4 n GLY 180 N 4.38 3.08 3.76 -1.50 0.00 -1.05 -5.01 105.19 108.85 2br4 n GLY 180 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2br4 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br4 s ASP 181 N -0.74 5.74 0.10 1.61 1.01 -0.97 -4.74 116.67 118.68 2br4 s ASP 181 Ca 0.00 2.42 0.02 0.00 0.71 0.00 0.00 52.55 55.69 2br4 s ASP 181 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2br4 s ASP 181 CO 0.00 -1.22 0.19 -0.31 0.21 0.00 0.00 175.17 174.05 2br4 s TYR 182 N -1.52 3.40 -0.07 4.23 1.51 -0.25 -1.90 117.35 122.76 2br4 s TYR 182 Ca 0.69 0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 56.89 2br4 s TYR 182 Cb -0.31 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 2br4 s TYR 182 CO 0.37 0.55 -0.00 0.12 -1.11 0.00 0.00 175.55 175.48 2br4 s PHE 183 N -1.57 0.67 -0.12 2.71 5.36 0.12 -1.27 117.98 123.88 2br4 s PHE 183 Ca 0.33 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2br4 s PHE 183 Cb -0.12 -0.79 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 2br4 s PHE 183 CO 0.26 -0.32 -0.15 0.42 -1.46 0.00 0.00 175.22 173.97 2br4 s ILE 184 N 1.90 1.56 -0.46 3.12 1.01 0.56 -1.33 121.20 127.57 2br4 s ILE 184 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2br4 s ILE 184 Cb -0.12 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 40.99 2br4 s ILE 184 CO -0.05 0.46 0.36 -0.63 0.00 0.00 0.00 174.94 175.08 2br4 s ILE 185 N 1.15 4.92 0.22 2.92 1.01 -0.49 -0.63 121.20 130.30 2br4 s ILE 185 Ca -0.03 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.14 2br4 s ILE 185 Cb -0.14 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 2br4 s ILE 185 CO -0.05 -0.58 0.89 -1.61 0.00 0.00 0.00 174.94 173.59 2br4 s GLU 186 N 1.57 4.76 0.00 2.79 2.02 -1.11 -4.49 118.70 124.24 2br4 s GLU 186 Ca 0.04 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.40 2br4 s GLU 186 Cb -0.24 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2br4 s GLU 186 CO 0.05 0.53 0.00 -0.25 0.02 0.00 0.00 175.26 175.60 2br4 n ASP 187 N 1.47 0.00 0.11 -0.19 8.00 0.10 -4.64 116.55 121.40 2br4 n ASP 187 Ca -0.03 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.51 2br4 n ASP 187 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2br4 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br4 h MET 188 N 0.00 0.00 0.16 -1.24 2.86 -1.86 -3.40 114.93 111.46 2br4 h MET 188 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2br4 h MET 188 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2br4 h MET 188 CO 0.00 0.32 -0.14 0.82 1.06 0.00 0.00 176.91 178.97 2br4 h ILE 189 N 0.00 0.70 -0.57 -1.22 1.08 -1.82 -0.54 117.51 115.14 2br4 h ILE 189 Ca -0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2br4 h ILE 189 Cb 1.37 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 2br4 h ILE 189 CO 0.04 0.00 0.19 -0.65 -0.69 0.00 0.00 178.15 177.04 2br4 h PRO 190 N -0.32 0.34 -0.46 2.37 0.11 -1.80 -2.18 132.00 130.07 2br4 h PRO 190 Ca -0.00 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 2br4 h PRO 190 Cb 0.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2br4 h PRO 190 CO -0.02 0.23 0.01 1.88 -0.21 0.00 0.00 178.00 179.89 2br4 h TYR 191 N 0.35 0.78 0.00 0.65 -1.99 -1.63 -2.07 116.97 113.06 2br4 h TYR 191 Ca 0.28 -0.10 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 2br4 h TYR 191 Cb 0.35 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 2br4 h TYR 191 CO -0.18 0.72 -0.45 -1.49 -0.00 0.00 0.00 178.16 176.76 2br4 h TRP 192 N 0.70 0.00 0.00 4.88 6.55 -0.78 -2.44 115.95 124.85 2br4 h TRP 192 Ca 0.14 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.81 2br4 h TRP 192 Cb 0.41 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 2br4 h TRP 192 CO 0.02 0.45 -0.81 -0.92 -1.05 0.00 0.00 178.44 176.13 2br4 h TYR 193 N 0.00 0.00 -0.21 0.49 3.20 -1.03 -1.83 116.97 117.59 2br4 h TYR 193 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2br4 h TYR 193 Cb 0.95 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2br4 h TYR 193 CO 0.00 0.81 -0.20 -0.09 -1.64 0.00 0.00 178.16 177.03 2br4 h ARG 194 N 0.00 0.50 0.09 1.82 2.43 -1.12 -3.06 114.38 115.04 2br4 h ARG 194 Ca -0.01 -0.26 -0.33 0.00 -0.81 0.00 0.00 59.98 58.57 2br4 h ARG 194 Cb 1.43 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2br4 h ARG 194 CO 0.10 0.84 -1.78 1.88 -1.51 0.00 0.00 179.97 179.51 2br4 h TYR 195 N 0.18 0.33 -2.03 2.20 0.99 -1.52 -3.42 116.97 113.71 2br4 h TYR 195 Ca 0.03 -0.24 -0.56 0.00 2.00 0.00 0.00 58.73 59.97 2br4 h TYR 195 Cb 0.75 -0.01 -0.40 0.00 1.00 0.00 0.00 36.73 38.07 2br4 h TYR 195 CO 0.08 1.44 -1.04 0.00 -0.00 0.00 0.00 178.16 178.63 2br4 n ALA 196 N -2.77 2.66 -0.03 3.88 0.00 -0.69 -5.00 120.51 118.55 2br4 n ALA 196 Ca -0.23 -3.61 -0.11 0.00 0.00 0.00 0.00 53.44 49.49 2br4 n ALA 196 Cb 1.05 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 2br4 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br4 h PRO 197 N 3.91 0.22 -0.44 0.00 0.13 -1.67 -1.14 132.00 133.00 2br4 h PRO 197 Ca 0.09 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2br4 h PRO 197 Cb 0.85 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2br4 h PRO 197 CO 0.52 0.28 -0.03 -0.56 -0.23 0.00 0.00 178.00 177.99 2br4 h GLN 198 N 0.10 0.73 -0.00 0.86 -0.00 -1.94 -1.16 115.11 113.70 2br4 h GLN 198 Ca 0.05 -0.20 -0.03 0.00 -0.00 0.00 0.00 58.65 58.47 2br4 h GLN 198 Cb 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 2br4 h GLN 198 CO -0.01 0.76 -0.13 1.25 -0.00 0.00 0.00 178.83 180.71 2br4 h LEU 199 N 0.68 0.12 -0.95 0.06 5.85 -1.94 -2.23 115.31 116.89 2br4 h LEU 199 Ca 0.13 -0.79 0.09 0.00 0.84 0.00 0.00 57.88 58.16 2br4 h LEU 199 Cb 0.46 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2br4 h LEU 199 CO 0.02 0.89 0.59 0.15 -0.34 0.00 0.00 178.44 179.75 2br4 h PHE 200 N -0.64 1.08 -0.65 1.25 3.57 -1.18 0.91 116.94 121.29 2br4 h PHE 200 Ca -0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 2br4 h PHE 200 Cb 0.91 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2br4 h PHE 200 CO 0.19 0.49 0.06 0.77 -2.23 0.00 0.00 178.31 177.59 2br4 h SER 201 N 1.00 1.06 -0.12 0.41 0.02 -1.21 -1.35 113.55 113.37 2br4 h SER 201 Ca 0.44 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2br4 h SER 201 Cb 0.33 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2br4 h SER 201 CO -0.22 1.08 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.43 2br4 h GLU 202 N 1.02 0.23 -0.27 3.45 4.81 -0.73 -1.31 114.58 121.77 2br4 h GLU 202 Ca 0.19 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2br4 h GLU 202 Cb 0.50 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2br4 h GLU 202 CO 0.02 0.54 0.13 1.88 -0.73 0.00 0.00 179.01 180.85 2br4 h TYR 203 N -0.09 0.39 -0.46 0.92 0.99 -0.82 -2.73 116.97 115.17 2br4 h TYR 203 Ca 0.03 -0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.61 2br4 h TYR 203 Cb 0.46 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 2br4 h TYR 203 CO 0.06 0.37 -0.22 1.25 -0.00 0.00 0.00 178.16 179.62 2br4 h LEU 204 N 0.30 0.99 -1.38 3.88 6.46 -1.30 -2.92 115.31 121.34 2br4 h LEU 204 Ca 0.09 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 2br4 h LEU 204 Cb 0.13 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2br4 h LEU 204 CO -0.01 1.17 0.00 1.23 -0.62 0.00 0.00 178.44 180.21 2br4 h GLY 205 N 0.80 0.00 2.00 3.75 0.00 -1.11 -2.21 103.07 106.30 2br4 h GLY 205 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2br4 h GLY 205 CO 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.37 2br4 h ALA 206 N 2.10 1.17 -0.26 3.60 0.00 -1.28 -2.83 119.26 121.76 2br4 h ALA 206 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2br4 h ALA 206 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2br4 h ALA 206 CO 0.00 0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.73 2br4 n PHE 207 N -3.62 0.34 -0.31 0.00 3.01 -0.83 -4.55 117.46 111.50 2br4 n PHE 207 Ca -0.01 -0.17 0.23 0.00 1.01 0.00 0.00 57.45 58.50 2br4 n PHE 207 Cb 0.37 0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.35 2br4 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br4 h ARG 208 N 2.22 0.37 0.00 -1.08 0.11 -1.65 0.94 114.38 115.30 2br4 h ARG 208 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2br4 h ARG 208 Cb 0.50 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2br4 h ARG 208 CO 0.00 0.25 -0.34 -0.44 0.10 0.00 0.00 179.97 179.54 2br4 h ASP 209 N 0.39 0.00 0.00 0.08 3.32 -1.87 -3.40 116.42 114.94 2br4 h ASP 209 Ca 0.57 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.36 2br4 h ASP 209 Cb 1.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.98 2br4 h ASP 209 CO -0.27 0.00 -1.96 1.33 -1.72 0.00 0.00 179.24 176.62 2br4 n VAL 210 N -2.94 0.96 -4.40 -1.35 0.24 -0.25 -4.87 118.33 105.72 2br4 n VAL 210 Ca 0.03 -0.34 -0.26 0.00 -2.04 0.00 0.00 64.34 61.72 2br4 n VAL 210 Cb 0.53 -1.22 -0.12 0.00 -1.47 0.00 0.00 33.84 31.56 2br4 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br4 s LEU 211 N -6.17 2.41 0.21 1.34 1.43 0.16 -2.11 118.68 115.95 2br4 s LEU 211 Ca -0.23 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 2br4 s LEU 211 Cb 0.07 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 2br4 s LEU 211 CO 0.37 0.11 0.05 -0.94 0.23 0.00 0.00 176.35 176.17 2br4 s SER 212 N -2.53 1.19 -0.28 2.29 1.04 -0.67 -4.42 113.70 110.32 2br4 s SER 212 Ca 0.18 -1.28 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 2br4 s SER 212 Cb -0.08 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2br4 s SER 212 CO 0.09 -0.65 0.16 -0.32 0.98 0.00 0.00 173.24 173.49 2br4 s MET 213 N -3.98 3.77 -0.69 4.02 1.75 -1.26 -1.57 119.30 121.35 2br4 s MET 213 Ca 0.31 -0.43 -0.27 0.00 -1.25 0.00 0.00 55.69 54.05 2br4 s MET 213 Cb 0.07 -3.57 0.01 0.00 2.84 0.00 0.00 34.83 34.17 2br4 s MET 213 CO 0.09 -0.23 1.54 0.34 -0.65 0.00 0.00 175.02 176.11 2br4 s ASP 214 N 1.70 5.76 0.19 1.11 -1.08 -0.68 -4.87 116.67 118.81 2br4 s ASP 214 Ca 0.07 -0.11 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 2br4 s ASP 214 Cb -0.16 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.64 2br4 s ASP 214 CO 0.09 -2.08 1.66 0.23 0.52 0.00 0.00 175.17 175.58 2br4 n MET 215 N 9.29 0.15 -0.02 4.34 2.81 -1.26 -1.38 117.12 131.05 2br4 n MET 215 Ca 0.11 0.36 -0.07 0.00 -1.81 0.00 0.00 57.70 56.29 2br4 n MET 215 Cb 0.50 -1.77 0.11 0.00 -0.71 0.00 0.00 33.22 31.35 2br4 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2br4 h LEU 216 N 0.00 0.62 0.00 4.03 5.85 -1.99 -3.35 115.31 120.47 2br4 h LEU 216 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2br4 h LEU 216 Cb 0.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2br4 h LEU 216 CO 0.00 0.93 -0.85 -1.22 -0.34 0.00 0.00 178.44 176.96 2br4 n TYR 217 N -4.04 0.00 0.44 1.25 0.53 -1.04 -4.73 117.16 109.57 2br4 n TYR 217 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.99 2br4 n TYR 217 Cb 0.50 -0.09 0.30 0.00 -1.03 0.00 0.00 39.34 39.02 2br4 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br4 h ALA 218 N 1.31 0.99 -0.23 -0.72 0.00 -1.36 -2.97 119.26 116.27 2br4 h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2br4 h ALA 218 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2br4 h ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2br4 n ASN 219 N -2.63 2.92 -0.40 0.00 3.02 -1.26 -0.34 115.26 116.57 2br4 n ASN 219 Ca 0.05 -2.32 0.14 0.00 -0.03 0.00 0.00 54.58 52.42 2br4 n ASN 219 Cb 0.48 -0.27 0.52 0.00 -0.61 0.00 0.00 39.78 39.89 2br4 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br4 n ALA 220 N -0.07 2.68 -3.64 5.41 0.00 -1.12 -4.87 120.51 118.90 2br4 n ALA 220 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2br4 n ALA 220 Cb 0.52 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 2br4 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br4 s SER 221 N -2.11 -0.60 0.44 0.00 1.04 -1.26 -4.79 113.70 106.43 2br4 s SER 221 Ca 0.36 1.07 0.20 0.00 0.48 0.00 0.00 55.95 58.06 2br4 s SER 221 Cb 0.21 1.14 1.04 0.00 0.10 0.00 0.00 66.02 68.50 2br4 s SER 221 CO 0.37 -0.18 1.92 0.77 0.98 0.00 0.00 173.24 177.11 2br4 h SER 222 N 5.14 0.00 -0.08 7.02 4.64 -1.94 0.13 113.55 128.45 2br4 h SER 222 Ca -0.29 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.87 2br4 h SER 222 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2br4 h SER 222 CO 0.12 0.25 -0.54 1.56 -0.87 0.00 0.00 176.83 177.35 2br4 h GLN 223 N 0.00 0.67 -0.00 4.77 4.20 -1.96 -3.19 115.11 119.59 2br4 h GLN 223 Ca -0.00 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2br4 h GLN 223 Cb 0.54 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2br4 h GLN 223 CO 0.03 1.03 -0.43 1.28 -0.67 0.00 0.00 178.83 180.08 2br4 n LEU 224 N -3.98 0.86 -3.72 1.46 4.77 -0.91 0.01 117.00 115.49 2br4 n LEU 224 Ca -0.03 -0.20 -0.53 0.00 -0.03 0.00 0.00 56.01 55.22 2br4 n LEU 224 Cb 0.61 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 2br4 n LEU 224 CO 0.48 0.18 1.26 -0.67 -1.33 0.00 0.00 177.39 177.31 2br4 n ASP 225 N -1.03 0.78 -2.95 -1.43 2.03 0.41 -0.97 116.55 113.38 2br4 n ASP 225 Ca 0.09 0.73 -0.21 0.00 0.52 0.00 0.00 54.79 55.92 2br4 n ASP 225 Cb 0.35 -0.75 0.01 0.00 -0.72 0.00 0.00 41.12 40.01 2br4 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br4 n ARG 226 N 5.16 -3.65 0.00 -0.67 1.74 0.53 -4.54 116.66 115.23 2br4 n ARG 226 Ca 0.38 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 58.21 2br4 n ARG 226 Cb -0.04 -5.50 0.00 0.00 -1.02 0.00 0.00 32.46 25.90 2br4 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 227 N -1.25 -0.31 3.47 -0.13 0.00 -0.14 -4.92 105.19 101.92 2br4 n GLY 227 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2br4 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br4 s VAL 228 N -0.30 4.85 0.13 1.61 1.01 -1.25 -1.39 120.40 125.06 2br4 s VAL 228 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.81 2br4 s VAL 228 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2br4 s VAL 228 CO 0.00 -0.73 -0.21 -0.76 0.00 0.00 0.00 175.10 173.40 2br4 s LEU 229 N 2.71 2.55 0.02 3.92 1.43 -0.44 -1.69 118.68 127.18 2br4 s LEU 229 Ca 0.18 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2br4 s LEU 229 Cb -0.17 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2br4 s LEU 229 CO 0.14 0.18 0.25 0.00 0.23 0.00 0.00 176.35 177.15 2br4 s ARG 230 N -2.14 0.67 0.28 1.70 1.70 -0.61 0.14 118.95 120.70 2br4 s ARG 230 Ca 0.17 -0.42 -0.29 0.00 -0.47 0.00 0.00 55.73 54.72 2br4 s ARG 230 Cb -0.10 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 2br4 s ARG 230 CO 0.09 -0.19 1.27 0.50 -1.08 0.00 0.00 175.30 175.88 2br4 s ARG 231 N -1.94 4.42 0.00 3.89 3.00 -0.80 -1.67 118.95 125.86 2br4 s ARG 231 Ca -0.10 2.09 0.08 0.00 -1.00 0.00 0.00 55.73 56.80 2br4 s ARG 231 Cb -0.04 -3.13 0.06 0.00 0.00 0.00 0.00 34.95 31.85 2br4 s ARG 231 CO -0.00 -0.13 0.75 0.28 0.00 0.00 0.00 175.30 176.20