#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbr s VAL 17 N 0.00 4.94 -1.32 1.39 1.01 -1.26 -3.86 120.40 121.30 1bbr s VAL 17 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1bbr s VAL 17 Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1bbr s VAL 17 CO 0.00 0.43 1.01 -0.62 0.00 0.00 0.00 175.10 175.91 1bbr n GLU 18 N 3.79 -6.63 -0.91 2.72 -0.58 -1.26 -5.01 120.64 112.75 1bbr n GLU 18 Ca -0.16 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1bbr n GLU 18 Cb 0.52 -5.70 0.00 0.00 -0.57 0.00 0.00 31.44 25.69 1bbr n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bbr n GLY 19 N -1.58 2.85 3.24 0.62 0.00 -1.26 -5.15 105.19 103.90 1bbr n GLY 19 Ca -0.14 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 1bbr n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bbr s GLN 20 N -0.73 0.93 0.32 1.61 -2.07 -1.26 -5.13 119.66 113.33 1bbr s GLN 20 Ca 0.00 -1.01 -0.29 0.00 -1.82 0.00 0.00 55.36 52.23 1bbr s GLN 20 Cb 0.00 0.35 -0.11 0.00 -1.09 0.00 0.00 33.01 32.16 1bbr s GLN 20 CO 0.00 -0.31 1.58 -0.25 -1.32 0.00 0.00 175.29 174.99 1bbr n ASP 21 N -0.11 3.91 -4.87 12.60 9.92 -1.26 -4.98 116.55 131.76 1bbr n ASP 21 Ca -0.13 1.17 -0.31 0.00 -0.53 0.00 0.00 54.79 54.99 1bbr n ASP 21 Cb 0.63 -1.61 0.01 0.00 -0.64 0.00 0.00 41.12 39.51 1bbr n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bbr s ALA 22 N -0.28 3.11 0.59 2.24 0.00 -1.26 -5.07 121.76 121.08 1bbr s ALA 22 Ca 0.61 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1bbr s ALA 22 Cb -0.48 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1bbr s ALA 22 CO 0.52 -0.67 0.94 -1.21 0.00 0.00 0.00 175.76 175.34 1bbr s GLU 23 N -5.15 3.32 0.59 0.00 2.02 -1.26 -5.01 118.70 113.21 1bbr s GLU 23 Ca 0.55 0.37 -0.17 0.00 0.02 0.00 0.00 54.97 55.74 1bbr s GLU 23 Cb -0.11 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1bbr s GLU 23 CO 0.53 -0.56 1.11 0.14 0.02 0.00 0.00 175.26 176.51 1bbr s VAL 24 N -3.04 3.26 -0.17 2.63 -7.23 -1.26 -2.78 120.40 111.81 1bbr s VAL 24 Ca 0.53 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 1bbr s VAL 24 Cb -0.11 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1bbr s VAL 24 CO 0.49 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1bbr n GLY 25 N -0.21 0.33 0.24 2.32 0.00 -1.26 -4.88 105.19 101.72 1bbr n GLY 25 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1bbr n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bbr h LEU 26 N 0.00 0.74 -6.61 0.99 5.85 -1.89 -3.37 115.31 111.01 1bbr h LEU 26 Ca -0.03 -0.18 -0.60 0.00 0.84 0.00 0.00 57.88 57.91 1bbr h LEU 26 Cb 0.67 -0.19 -0.39 0.00 0.37 0.00 0.00 40.66 41.12 1bbr h LEU 26 CO 0.05 0.71 -0.85 -0.55 -0.34 0.00 0.00 178.44 177.47 1bbr s SER 27 N -6.03 2.57 0.07 1.25 0.15 -1.26 -4.98 113.70 105.46 1bbr s SER 27 Ca -0.13 -3.20 0.15 0.00 0.70 0.00 0.00 55.95 53.47 1bbr s SER 27 Cb 0.12 -0.80 0.66 0.00 -1.71 0.00 0.00 66.02 64.29 1bbr s SER 27 CO 0.78 -0.16 1.48 -0.81 1.20 0.00 0.00 173.24 175.73 1bbr n PRO 28 N 2.72 0.05 -0.01 5.44 -0.04 -1.26 -2.46 135.00 139.44 1bbr n PRO 28 Ca 0.25 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1bbr n PRO 28 Cb 0.43 -1.60 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 1bbr n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bbr n TRP 29 N -1.70 0.03 -2.21 0.54 2.14 -1.01 -2.00 117.44 113.23 1bbr n TRP 29 Ca 0.03 -0.02 -0.43 0.00 2.07 0.00 0.00 57.50 59.15 1bbr n TRP 29 Cb 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.64 1bbr n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bbr s GLN 30 N -1.97 3.45 0.05 -2.67 2.00 -1.03 -1.19 119.66 118.31 1bbr s GLN 30 Ca 0.32 1.10 0.00 0.00 -2.00 0.00 0.00 55.36 54.79 1bbr s GLN 30 Cb 0.20 -4.10 -0.04 0.00 0.80 0.00 0.00 33.01 29.87 1bbr s GLN 30 CO 0.31 -1.71 0.16 0.08 -0.50 0.00 0.00 175.29 173.62 1bbr s VAL 31 N 6.08 5.09 -0.12 1.34 1.01 -0.53 -4.07 120.40 129.21 1bbr s VAL 31 Ca 0.68 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1bbr s VAL 31 Cb -0.17 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1bbr s VAL 31 CO 0.33 0.18 -0.17 -0.32 0.00 0.00 0.00 175.10 175.12 1bbr s MET 32 N -2.32 3.26 -0.20 2.72 1.75 0.25 -1.83 119.30 122.93 1bbr s MET 32 Ca 0.31 -0.76 -0.16 0.00 -1.25 0.00 0.00 55.69 53.83 1bbr s MET 32 Cb -0.13 -2.51 -0.04 0.00 2.84 0.00 0.00 34.83 35.00 1bbr s MET 32 CO 0.24 0.20 0.39 -1.17 -0.65 0.00 0.00 175.02 174.03 1bbr s LEU 33 N 0.35 4.15 0.02 4.11 2.96 0.35 -0.06 118.68 130.55 1bbr s LEU 33 Ca -0.14 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1bbr s LEU 33 Cb -0.17 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1bbr s LEU 33 CO 0.07 -0.07 -0.12 0.12 -1.32 0.00 0.00 176.35 175.02 1bbr s PHE 34 N 1.31 1.08 0.06 5.38 5.36 -0.45 -0.38 117.98 130.35 1bbr s PHE 34 Ca 0.19 -0.29 -0.29 0.00 -0.96 0.00 0.00 56.93 55.58 1bbr s PHE 34 Cb -0.15 -0.67 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 1bbr s PHE 34 CO 0.08 0.00 0.93 0.50 -1.46 0.00 0.00 175.22 175.28 1bbr s ARG 35 N -0.76 4.62 0.11 10.12 3.52 0.82 -1.69 118.95 135.69 1bbr s ARG 35 Ca 0.02 1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 56.83 1bbr s ARG 35 Cb -0.06 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1bbr s ARG 35 CO 0.00 0.14 1.54 0.87 -0.81 0.00 0.00 175.30 177.04 1bbr h LYS 36 N 5.99 0.61 -1.78 5.12 1.57 -1.10 -3.22 116.57 123.76 1bbr h LYS 36 Ca -0.42 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.23 1bbr h LYS 36 Cb 1.21 -0.05 -0.22 0.00 0.08 0.00 0.00 32.23 33.25 1bbr h LYS 36 CO 0.73 0.74 0.08 0.45 -0.57 0.00 0.00 179.45 180.88 1bbr s SER 36 N -6.13 -0.86 0.74 0.86 0.15 -1.26 -3.91 113.70 103.30 1bbr s SER 36 Ca -0.13 1.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.66 1bbr s SER 36 Cb 0.09 1.62 0.05 0.00 -1.71 0.00 0.00 66.02 66.06 1bbr s SER 36 CO 0.78 -0.20 1.24 -2.16 1.20 0.00 0.00 173.24 174.10 1bbr s PRO 37 N 1.99 2.01 -0.06 5.44 0.04 -1.26 -5.07 135.00 138.09 1bbr s PRO 37 Ca -0.08 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1bbr s PRO 37 Cb -0.07 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1bbr s PRO 37 CO -0.18 -1.96 1.39 -0.65 0.04 0.00 0.00 177.00 175.63 1bbr s GLN 38 N -3.85 4.26 -0.15 4.56 -0.21 -1.25 -4.68 119.66 118.34 1bbr s GLN 38 Ca 0.77 1.89 -0.30 0.00 0.02 0.00 0.00 55.36 57.74 1bbr s GLN 38 Cb -0.32 -3.70 0.13 0.00 1.00 0.00 0.00 33.01 30.12 1bbr s GLN 38 CO 0.46 -0.64 1.03 -1.83 -2.12 0.00 0.00 175.29 172.19 1bbr s GLU 39 N 2.96 0.56 -0.21 2.91 -1.05 -1.21 -4.97 118.70 117.69 1bbr s GLU 39 Ca 0.62 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 55.18 1bbr s GLU 39 Cb -0.28 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.66 1bbr s GLU 39 CO 0.23 -0.20 1.24 -1.17 0.95 0.00 0.00 175.26 176.32 1bbr s LEU 40 N -1.44 4.09 -0.22 1.83 1.98 -1.26 -0.13 118.68 123.52 1bbr s LEU 40 Ca 0.01 1.51 -0.19 0.00 -2.89 0.00 0.00 54.13 52.58 1bbr s LEU 40 Cb -0.01 -3.54 -0.16 0.00 0.66 0.00 0.00 46.19 43.15 1bbr s LEU 40 CO -0.02 -0.83 0.01 0.18 -1.89 0.00 0.00 176.35 173.80 1bbr n LEU 41 N 6.83 1.89 -3.83 -0.68 4.77 0.49 -4.95 117.00 121.51 1bbr n LEU 41 Ca 0.14 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1bbr n LEU 41 Cb 0.45 -0.91 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1bbr n LEU 41 CO 0.57 0.31 0.55 0.00 -1.33 0.00 0.00 177.39 177.48 1bbr s GLY 43 N -3.01 1.86 0.10 0.00 0.00 -1.26 -0.50 107.32 104.51 1bbr s GLY 43 Ca 0.14 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.83 1bbr s GLY 43 CO 0.08 -1.48 1.14 0.00 0.00 0.00 0.00 173.10 172.84 1bbr s ALA 44 N -2.53 -1.95 0.07 3.20 0.00 -0.76 -4.76 121.76 115.03 1bbr s ALA 44 Ca 0.58 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1bbr s ALA 44 Cb -0.09 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1bbr s ALA 44 CO 0.36 -1.09 -0.09 -1.54 0.00 0.00 0.00 175.76 173.40 1bbr s SER 45 N -3.51 1.14 -0.37 0.00 1.04 1.00 -1.45 113.70 111.54 1bbr s SER 45 Ca 0.24 -0.71 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 1bbr s SER 45 Cb -0.01 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1bbr s SER 45 CO 0.02 -0.26 0.68 -0.22 0.98 0.00 0.00 173.24 174.44 1bbr s LEU 46 N -2.10 4.25 0.00 2.42 2.96 -0.33 0.11 118.68 126.00 1bbr s LEU 46 Ca -0.01 0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1bbr s LEU 46 Cb -0.05 -2.84 0.23 0.00 0.50 0.00 0.00 46.19 44.03 1bbr s LEU 46 CO -0.01 -0.66 1.15 2.30 -1.32 0.00 0.00 176.35 177.81 1bbr n ILE 47 N 5.69 0.83 -3.92 6.68 -5.35 -0.96 -2.04 119.36 120.28 1bbr n ILE 47 Ca -0.00 -0.91 -0.01 0.00 -0.27 0.00 0.00 62.75 61.55 1bbr n ILE 47 Cb 0.48 0.62 0.02 0.00 -1.74 0.00 0.00 39.64 39.02 1bbr n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1bbr n SER 48 N 0.40 -1.53 0.06 7.28 2.88 -1.23 -4.78 113.62 116.70 1bbr n SER 48 Ca 0.09 -1.69 0.13 0.00 -1.33 0.00 0.00 58.87 56.07 1bbr n SER 48 Cb 0.37 2.46 0.39 0.00 -0.75 0.00 0.00 64.21 66.68 1bbr n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1bbr n ASP 49 N -1.21 0.55 0.00 -3.46 5.75 -1.26 -4.16 116.55 112.76 1bbr n ASP 49 Ca -0.00 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1bbr n ASP 49 Cb 0.56 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1bbr n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1bbr n ARG 50 N -1.96 3.48 -5.17 0.11 0.63 -1.26 0.49 116.66 112.98 1bbr n ARG 50 Ca 0.05 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 1bbr n ARG 50 Cb 0.40 -0.70 -0.16 0.00 0.45 0.00 0.00 32.46 32.45 1bbr n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1bbr s TRP 51 N -1.35 2.51 -0.05 -0.14 0.52 -1.26 -1.08 118.94 118.10 1bbr s TRP 51 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 56.10 55.52 1bbr s TRP 51 Cb 0.00 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1bbr s TRP 51 CO 0.00 -0.17 -0.21 0.08 0.02 0.00 0.00 176.95 176.67 1bbr s VAL 52 N -0.17 2.45 -0.06 4.03 1.01 0.20 -2.26 120.40 125.60 1bbr s VAL 52 Ca -0.03 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1bbr s VAL 52 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1bbr s VAL 52 CO 0.04 0.58 0.04 -0.22 0.00 0.00 0.00 175.10 175.53 1bbr s LEU 53 N -0.48 3.75 0.38 3.92 2.96 0.30 -1.10 118.68 128.40 1bbr s LEU 53 Ca 0.06 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 1bbr s LEU 53 Cb -0.11 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.62 1bbr s LEU 53 CO 0.01 0.34 0.68 0.28 -1.32 0.00 0.00 176.35 176.34 1bbr s THR 54 N -1.01 0.00 -0.04 3.68 -1.32 -0.34 -0.00 115.64 116.60 1bbr s THR 54 Ca 0.17 -1.22 -0.20 0.00 -1.21 0.00 0.00 61.69 59.23 1bbr s THR 54 Cb -0.12 -2.82 -0.05 0.00 -1.51 0.00 0.00 72.50 68.01 1bbr s THR 54 CO 0.07 0.00 0.57 0.00 -2.21 0.00 0.00 174.62 173.05 1bbr s ALA 55 N -2.52 3.47 0.24 11.08 0.00 -1.26 0.17 121.76 132.93 1bbr s ALA 55 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1bbr s ALA 55 Cb -0.03 -2.73 0.37 0.00 0.00 0.00 0.00 23.12 20.73 1bbr s ALA 55 CO 0.15 0.10 1.62 0.00 0.00 0.00 0.00 175.76 177.63 1bbr h ALA 56 N 6.02 0.64 0.00 0.00 0.00 -1.71 -0.12 119.26 124.09 1bbr h ALA 56 Ca -0.44 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1bbr h ALA 56 Cb 1.20 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1bbr h ALA 56 CO 0.72 -0.42 0.01 -2.39 0.00 0.00 0.00 179.25 177.16 1bbr n HIS 57 N -5.42 0.00 0.32 0.00 1.44 -1.25 -0.79 115.22 109.52 1bbr n HIS 57 Ca 0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 1bbr n HIS 57 Cb 0.43 -0.34 0.20 0.00 0.12 0.00 0.00 29.99 30.40 1bbr n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bbr n LEU 59 N -2.77 0.72 -4.03 0.00 4.77 0.03 -4.92 117.00 110.80 1bbr n LEU 59 Ca 0.04 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1bbr n LEU 59 Cb 0.50 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1bbr n LEU 59 CO 0.34 0.01 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.72 1bbr s LEU 60 N -6.60 2.64 0.09 2.23 2.96 -0.18 -1.18 118.68 118.64 1bbr s LEU 60 Ca -0.11 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 1bbr s LEU 60 Cb 0.04 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.40 1bbr s LEU 60 CO 0.14 -0.14 0.39 -0.47 -1.32 0.00 0.00 176.35 174.94 1bbr s TYR 60 N 1.29 -0.20 0.00 5.38 5.04 -0.71 -3.94 117.35 124.20 1bbr s TYR 60 Ca -0.03 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1bbr s TYR 60 Cb -0.17 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1bbr s TYR 60 CO -0.08 -0.65 0.00 -2.30 -1.34 0.00 0.00 175.55 171.19 1bbr n PRO 60 N 0.04 0.00 -0.16 4.97 -0.02 -1.26 -2.42 135.00 136.15 1bbr n PRO 60 Ca -0.17 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.36 1bbr n PRO 60 Cb 0.62 -0.74 0.12 0.00 -0.02 0.00 0.00 33.50 33.48 1bbr n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1bbr n TRP 60 N -0.14 0.35 -3.69 6.00 8.01 -1.26 -4.98 117.44 121.74 1bbr n TRP 60 Ca 0.00 -0.62 -0.23 0.00 -1.31 0.00 0.00 57.50 55.34 1bbr n TRP 60 Cb 0.00 -0.10 0.03 0.00 -2.01 0.00 0.00 31.31 29.24 1bbr n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1bbr n ASP 60 N -0.18 -2.11 -4.18 -0.99 2.03 -1.14 -4.97 116.55 105.00 1bbr n ASP 60 Ca 0.10 -0.86 -0.34 0.00 0.52 0.00 0.00 54.79 54.22 1bbr n ASP 60 Cb 0.48 -3.95 -0.15 0.00 -0.72 0.00 0.00 41.12 36.77 1bbr n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1bbr s LYS 60 N -5.91 3.10 -0.35 -0.67 2.20 -1.02 -5.05 119.74 112.05 1bbr s LYS 60 Ca 0.11 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1bbr s LYS 60 Cb -0.03 -2.73 0.16 0.00 -1.51 0.00 0.00 37.83 33.72 1bbr s LYS 60 CO 0.82 -0.22 0.43 1.21 -0.36 0.00 0.00 175.35 177.23 1bbr s ASN 60 N 1.35 0.48 0.04 1.43 2.47 -1.21 -1.74 114.94 117.74 1bbr s ASN 60 Ca 0.05 -1.03 -0.13 0.00 0.42 0.00 0.00 52.86 52.17 1bbr s ASN 60 Cb -0.14 0.97 -0.06 0.00 -1.45 0.00 0.00 41.25 40.58 1bbr s ASN 60 CO -0.09 -0.28 0.42 -0.36 -3.72 0.00 0.00 177.10 173.07 1bbr s PHE 60 N 1.90 3.68 0.38 0.43 0.08 -0.33 -5.02 117.98 119.10 1bbr s PHE 60 Ca 0.14 0.95 0.08 0.00 0.12 0.00 0.00 56.93 58.22 1bbr s PHE 60 Cb -0.12 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 40.01 1bbr s PHE 60 CO -0.14 0.59 0.13 0.95 -0.10 0.00 0.00 175.22 176.65 1bbr s THR 60 N -1.20 2.51 0.26 0.64 -4.23 -1.26 -4.85 115.64 107.50 1bbr s THR 60 Ca 0.28 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1bbr s THR 60 Cb -0.16 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.02 1bbr s THR 60 CO 0.15 -0.08 1.64 0.58 -0.54 0.00 0.00 174.62 176.38 1bbr h VAL 61 N 1.54 0.35 0.00 2.29 2.07 -1.93 0.19 116.25 120.76 1bbr h VAL 61 Ca -0.43 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1bbr h VAL 61 Cb 1.25 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1bbr h VAL 61 CO 0.68 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.77 1bbr n ASP 62 N -5.29 0.00 -0.18 0.57 8.00 -1.26 -2.65 116.55 115.75 1bbr n ASP 62 Ca 0.16 -1.29 0.11 0.00 0.71 0.00 0.00 54.79 54.48 1bbr n ASP 62 Cb 0.54 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1bbr n ASP 62 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bbr n ASP 63 N -0.65 1.23 -4.16 -2.24 8.00 0.65 -4.88 116.55 114.51 1bbr n ASP 63 Ca 0.06 -1.02 -0.11 0.00 0.71 0.00 0.00 54.79 54.43 1bbr n ASP 63 Cb 0.03 0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 1bbr n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bbr s LEU 64 N -2.78 2.48 0.20 0.64 1.43 -1.08 -0.46 118.68 119.11 1bbr s LEU 64 Ca 0.14 -0.95 0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1bbr s LEU 64 Cb 0.17 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.27 1bbr s LEU 64 CO 0.71 -0.44 -0.16 -0.76 0.23 0.00 0.00 176.35 175.93 1bbr s LEU 65 N -2.86 2.52 -0.15 1.79 1.43 -0.68 -4.30 118.68 116.42 1bbr s LEU 65 Ca 0.09 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1bbr s LEU 65 Cb 0.03 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.50 1bbr s LEU 65 CO -0.04 -0.10 -0.20 0.54 0.23 0.00 0.00 176.35 176.77 1bbr s VAL 66 N -2.62 1.98 -0.29 -1.59 0.11 0.11 -1.34 120.40 116.76 1bbr s VAL 66 Ca 0.21 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.27 1bbr s VAL 66 Cb -0.03 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1bbr s VAL 66 CO 0.08 0.53 0.09 -0.13 -3.33 0.00 0.00 175.10 172.34 1bbr s ARG 67 N 1.03 3.21 -0.07 1.54 0.52 0.91 -0.45 118.95 125.63 1bbr s ARG 67 Ca -0.02 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1bbr s ARG 67 Cb -0.14 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1bbr s ARG 67 CO -0.06 -0.40 -0.12 0.42 0.02 0.00 0.00 175.30 175.15 1bbr s ILE 68 N 1.53 3.21 0.00 1.52 1.01 -0.49 0.84 121.20 128.83 1bbr s ILE 68 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1bbr s ILE 68 Cb -0.17 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1bbr s ILE 68 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1bbr n GLY 69 N 2.59 0.94 3.89 6.18 0.00 -1.26 -0.66 105.19 116.86 1bbr n GLY 69 Ca -0.18 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1bbr n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 70 N -0.83 3.66 0.12 1.61 1.02 -1.26 -4.31 119.74 119.74 1bbr s LYS 70 Ca 0.00 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1bbr s LYS 70 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1bbr s LYS 70 CO 0.00 -0.09 0.00 1.58 -0.92 0.00 0.00 175.35 175.92 1bbr n HIS 71 N -1.70 -0.43 -2.83 3.18 -0.00 -1.26 -5.00 115.22 107.17 1bbr n HIS 71 Ca 0.01 0.08 -0.40 0.00 -0.00 0.00 0.00 57.72 57.40 1bbr n HIS 71 Cb 0.54 0.11 -0.05 0.00 -0.00 0.00 0.00 29.99 30.59 1bbr n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bbr s SER 72 N -5.74 7.43 0.12 0.26 0.15 -1.26 -4.96 113.70 109.69 1bbr s SER 72 Ca 0.00 1.70 -0.13 0.00 0.70 0.00 0.00 55.95 58.22 1bbr s SER 72 Cb 0.00 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.70 1bbr s SER 72 CO 0.00 0.03 1.45 -0.09 1.20 0.00 0.00 173.24 175.82 1bbr h ARG 73 N 5.22 0.79 0.00 5.44 2.43 -2.00 -3.41 114.38 122.85 1bbr h ARG 73 Ca -0.44 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 1bbr h ARG 73 Cb 1.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1bbr h ARG 73 CO 0.70 1.04 0.00 2.41 -1.51 0.00 0.00 179.97 182.61 1bbr n THR 74 N -4.20 0.00 -1.50 0.20 -1.04 -1.26 -4.99 114.28 101.49 1bbr n THR 74 Ca -0.03 0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 1bbr n THR 74 Cb 0.49 -0.13 0.09 0.00 -1.82 0.00 0.00 70.33 68.96 1bbr n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bbr s ARG 75 N -0.05 2.21 -0.67 -2.82 1.70 -1.26 -4.95 118.95 113.11 1bbr s ARG 75 Ca 0.00 1.88 -0.27 0.00 -0.47 0.00 0.00 55.73 56.87 1bbr s ARG 75 Cb 0.00 -1.83 0.03 0.00 -0.57 0.00 0.00 34.95 32.59 1bbr s ARG 75 CO 0.00 -1.81 1.19 -0.47 -1.08 0.00 0.00 175.30 173.14 1bbr s TYR 76 N -1.78 2.46 -1.08 5.89 5.04 -1.26 -4.85 117.35 121.77 1bbr s TYR 76 Ca 0.77 0.06 -0.20 0.00 -2.44 0.00 0.00 57.07 55.26 1bbr s TYR 76 Cb -0.32 -4.52 0.08 0.00 0.35 0.00 0.00 41.96 37.55 1bbr s TYR 76 CO 0.44 -1.82 1.46 -1.21 -1.34 0.00 0.00 175.55 173.08 1bbr s GLU 77 N 5.18 3.72 0.14 4.97 2.02 -1.26 -4.86 118.70 128.61 1bbr s GLU 77 Ca 0.36 -1.54 -0.29 0.00 0.02 0.00 0.00 54.97 53.52 1bbr s GLU 77 Cb -0.09 -5.31 -0.04 0.00 0.10 0.00 0.00 34.13 28.79 1bbr s GLU 77 CO 0.18 -2.12 1.57 -0.09 0.02 0.00 0.00 175.26 174.82 1bbr h ARG 77 N 8.93 -0.38 0.23 1.61 1.12 -1.92 -1.04 114.38 122.93 1bbr h ARG 77 Ca 0.26 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.15 1bbr h ARG 77 Cb 0.97 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 1bbr h ARG 77 CO 1.37 -0.25 -0.19 0.87 -3.11 0.00 0.00 179.97 178.65 1bbr h LYS 78 N -0.39 -0.40 0.09 0.20 6.56 -2.03 -3.39 116.57 117.21 1bbr h LYS 78 Ca 0.11 0.03 -0.27 0.00 -1.06 0.00 0.00 60.65 59.45 1bbr h LYS 78 Cb 0.61 0.09 0.02 0.00 -0.57 0.00 0.00 32.23 32.37 1bbr h LYS 78 CO -0.54 -0.26 -1.16 -0.39 -2.06 0.00 0.00 179.45 175.04 1bbr h VAL 79 N -0.41 1.37 -3.86 0.50 -1.51 -1.90 -3.48 116.25 106.96 1bbr h VAL 79 Ca -0.03 -2.60 -0.47 0.00 -1.23 0.00 0.00 66.70 62.37 1bbr h VAL 79 Cb 0.35 2.68 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 1bbr h VAL 79 CO -0.01 0.78 0.30 -1.83 -1.23 0.00 0.00 177.57 175.58 1bbr s GLU 80 N -2.99 4.45 -0.03 5.19 -1.05 -0.40 -4.74 118.70 119.14 1bbr s GLU 80 Ca -0.07 1.19 0.02 0.00 -0.15 0.00 0.00 54.97 55.97 1bbr s GLU 80 Cb 0.07 -2.69 -0.03 0.00 -0.44 0.00 0.00 34.13 31.04 1bbr s GLU 80 CO 0.90 0.24 -0.08 0.15 0.95 0.00 0.00 175.26 177.42 1bbr s LYS 81 N -2.27 2.63 -0.12 -4.83 -0.14 0.16 -4.86 119.74 110.30 1bbr s LYS 81 Ca 0.51 -0.65 0.03 0.00 -1.36 0.00 0.00 55.97 54.51 1bbr s LYS 81 Cb -0.16 -2.52 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1bbr s LYS 81 CO 0.21 0.63 -0.23 0.42 -0.76 0.00 0.00 175.35 175.63 1bbr s ILE 82 N -0.89 2.05 0.21 2.17 1.01 -1.26 -1.39 121.20 123.10 1bbr s ILE 82 Ca 0.14 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1bbr s ILE 82 Cb -0.11 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1bbr s ILE 82 CO 0.04 0.55 0.06 -0.94 0.00 0.00 0.00 174.94 174.65 1bbr s SER 83 N 0.63 1.03 0.25 3.58 1.04 0.40 -4.97 113.70 115.66 1bbr s SER 83 Ca -0.12 -1.29 0.10 0.00 0.48 0.00 0.00 55.95 55.12 1bbr s SER 83 Cb -0.16 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1bbr s SER 83 CO 0.02 -0.68 -0.06 -0.04 0.98 0.00 0.00 173.24 173.46 1bbr s MET 84 N -4.00 2.12 -0.05 4.02 -1.94 -1.26 0.06 119.30 118.24 1bbr s MET 84 Ca 0.32 -1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 52.73 1bbr s MET 84 Cb 0.07 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.78 1bbr s MET 84 CO 0.09 0.37 0.30 -0.51 -0.01 0.00 0.00 175.02 175.26 1bbr s LEU 85 N -3.44 4.44 -0.00 -0.03 1.43 -1.26 -0.17 118.68 119.65 1bbr s LEU 85 Ca 0.29 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1bbr s LEU 85 Cb -0.07 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 1bbr s LEU 85 CO 0.18 0.36 -0.00 -0.78 0.23 0.00 0.00 176.35 176.34 1bbr h ASP 86 N 4.80 0.00 -1.77 2.29 3.58 -0.38 -3.43 116.42 121.51 1bbr h ASP 86 Ca -0.53 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.30 1bbr h ASP 86 Cb 1.22 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.14 1bbr h ASP 86 CO 0.60 0.02 -0.62 -0.54 -2.88 0.00 0.00 179.24 175.82 1bbr s LYS 87 N -1.02 1.92 -0.12 0.28 -0.14 -1.15 -4.97 119.74 114.54 1bbr s LYS 87 Ca -0.00 -2.07 -0.05 0.00 -1.36 0.00 0.00 55.97 52.49 1bbr s LYS 87 Cb 0.00 -1.63 0.05 0.00 -1.68 0.00 0.00 37.83 34.58 1bbr s LYS 87 CO 0.00 -0.01 0.25 0.42 -0.76 0.00 0.00 175.35 175.25 1bbr s ILE 88 N -2.71 -0.22 -0.10 2.17 1.01 -1.26 -2.57 121.20 117.52 1bbr s ILE 88 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1bbr s ILE 88 Cb 0.08 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.17 1bbr s ILE 88 CO 0.18 0.09 -0.09 -0.31 0.00 0.00 0.00 174.94 174.81 1bbr s TYR 89 N 1.84 1.49 -0.09 3.97 1.51 -0.78 -5.02 117.35 120.27 1bbr s TYR 89 Ca -0.04 -0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 55.29 1bbr s TYR 89 Cb -0.11 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1bbr s TYR 89 CO -0.08 -0.47 -0.01 0.42 -1.11 0.00 0.00 175.55 174.30 1bbr s ILE 90 N 1.49 4.24 0.13 2.71 1.01 -1.26 -0.40 121.20 129.12 1bbr s ILE 90 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 1bbr s ILE 90 Cb -0.13 -2.78 -0.13 0.00 0.01 0.00 0.00 42.46 39.43 1bbr s ILE 90 CO -0.06 0.60 1.66 1.57 0.00 0.00 0.00 174.94 178.71 1bbr n HIS 91 N 2.20 2.37 0.23 3.97 -0.00 -1.11 -4.84 115.22 118.04 1bbr n HIS 91 Ca -0.18 0.16 0.08 0.00 -0.00 0.00 0.00 57.72 57.78 1bbr n HIS 91 Cb 0.53 -2.59 0.63 0.00 -0.00 0.00 0.00 29.99 28.56 1bbr n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1bbr h PRO 92 N 6.72 0.04 -0.61 1.57 0.13 -1.94 -1.66 132.00 136.25 1bbr h PRO 92 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bbr h PRO 92 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bbr h PRO 92 CO 0.91 0.03 0.00 0.54 -0.23 0.00 0.00 178.00 179.25 1bbr n ARG 93 N -4.53 4.55 -1.72 0.86 1.74 -1.26 -4.96 116.66 111.34 1bbr n ARG 93 Ca -0.02 -2.97 -0.42 0.00 -0.77 0.00 0.00 57.85 53.66 1bbr n ARG 93 Cb 0.11 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.34 1bbr n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1bbr s TYR 94 N -2.53 2.55 -0.34 -1.55 5.04 -0.63 -4.71 117.35 115.18 1bbr s TYR 94 Ca 0.52 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1bbr s TYR 94 Cb 0.38 -4.16 0.09 0.00 0.35 0.00 0.00 41.96 38.62 1bbr s TYR 94 CO 0.17 -4.57 0.06 1.21 -1.34 0.00 0.00 175.55 171.08 1bbr s ASN 95 N 1.91 4.91 0.16 4.32 3.84 0.17 -4.95 114.94 125.29 1bbr s ASN 95 Ca 0.78 -1.79 0.23 0.00 0.21 0.00 0.00 52.86 52.28 1bbr s ASN 95 Cb -0.48 -1.70 0.13 0.00 -0.55 0.00 0.00 41.25 38.65 1bbr s ASN 95 CO 0.34 -0.38 1.15 4.11 -2.79 0.00 0.00 177.10 179.53 1bbr h TRP 96 N 7.87 0.00 0.11 0.43 5.08 -1.93 0.46 115.95 127.96 1bbr h TRP 96 Ca -0.13 0.00 -0.30 0.00 1.08 0.00 0.00 58.89 59.54 1bbr h TRP 96 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 1bbr h TRP 96 CO 0.55 0.00 -1.49 1.57 -1.28 0.00 0.00 178.44 177.79 1bbr h LYS 97 N 0.00 0.23 0.00 0.12 2.10 -1.99 -3.43 116.57 113.60 1bbr h LYS 97 Ca 0.00 -0.39 -0.32 0.00 -2.00 0.00 0.00 60.65 57.94 1bbr h LYS 97 Cb 0.88 0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 32.30 1bbr h LYS 97 CO 0.00 1.09 -2.03 -1.91 -2.00 0.00 0.00 179.45 174.60 1bbr n GLU 97 N -3.44 0.43 0.00 0.07 2.13 -1.26 -4.94 120.64 113.63 1bbr n GLU 97 Ca -0.15 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1bbr n GLU 97 Cb 1.04 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 31.53 1bbr n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bbr n ASN 98 N -3.94 0.00 -1.87 4.31 6.94 -1.25 -5.01 115.26 114.44 1bbr n ASN 98 Ca -0.38 -0.80 -0.08 0.00 -0.02 0.00 0.00 54.58 53.30 1bbr n ASN 98 Cb 0.75 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.21 1bbr n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1bbr n LEU 99 N 0.00 -2.71 -4.76 -4.53 4.77 0.16 -5.00 117.00 104.93 1bbr n LEU 99 Ca 0.00 -0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.35 1bbr n LEU 99 Cb 0.20 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 39.70 1bbr n LEU 99 CO 0.00 0.20 0.70 -0.62 -1.33 0.00 0.00 177.39 176.34 1bbr s ASP 100 N -3.37 7.45 -1.27 -1.43 2.15 -0.95 -3.78 116.67 115.48 1bbr s ASP 100 Ca 0.10 2.05 -0.04 0.00 0.43 0.00 0.00 52.55 55.09 1bbr s ASP 100 Cb -0.04 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1bbr s ASP 100 CO 0.29 0.01 1.06 0.54 -0.17 0.00 0.00 175.17 176.90 1bbr n ARG 101 N 1.22 -7.07 -2.50 4.34 1.74 -1.26 -0.66 116.66 112.47 1bbr n ARG 101 Ca -0.01 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1bbr n ARG 101 Cb 0.47 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 1bbr n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1bbr n ASP 102 N -3.08 4.84 -3.78 0.55 2.03 -1.25 -4.38 116.55 111.48 1bbr n ASP 102 Ca -0.17 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 1bbr n ASP 102 Cb 0.63 -1.74 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1bbr n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bbr s ILE 103 N 4.07 0.00 0.03 5.18 2.07 -1.26 -4.09 121.20 127.19 1bbr s ILE 103 Ca 0.53 -0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.62 1bbr s ILE 103 Cb 0.05 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.28 1bbr s ILE 103 CO 0.06 -0.01 0.28 0.00 -1.91 0.00 0.00 174.94 173.36 1bbr s ALA 104 N 0.08 -0.64 0.02 1.50 0.00 0.13 -2.74 121.76 120.11 1bbr s ALA 104 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1bbr s ALA 104 Cb -0.02 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1bbr s ALA 104 CO 0.00 -0.37 -0.21 -0.51 0.00 0.00 0.00 175.76 174.68 1bbr s LEU 105 N -1.89 2.43 -0.14 0.00 1.43 0.46 -1.20 118.68 119.78 1bbr s LEU 105 Ca -0.07 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1bbr s LEU 105 Cb -0.02 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1bbr s LEU 105 CO -0.02 0.28 -0.16 -0.76 0.23 0.00 0.00 176.35 175.92 1bbr s LEU 106 N -1.15 1.81 -0.32 1.79 1.02 -0.26 -1.87 118.68 119.70 1bbr s LEU 106 Ca 0.13 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.66 1bbr s LEU 106 Cb -0.10 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 1bbr s LEU 106 CO 0.03 -0.00 0.19 -0.75 0.02 0.00 0.00 176.35 175.84 1bbr s LYS 107 N 1.18 3.53 0.62 1.70 2.47 -1.06 0.60 119.74 128.79 1bbr s LYS 107 Ca -0.01 -0.60 -0.17 0.00 -1.56 0.00 0.00 55.97 53.63 1bbr s LYS 107 Cb -0.14 -3.68 -0.02 0.00 -1.46 0.00 0.00 37.83 32.53 1bbr s LYS 107 CO -0.06 -0.38 1.15 -0.51 0.16 0.00 0.00 175.35 175.71 1bbr s LEU 108 N 1.69 3.53 0.14 5.43 1.43 -0.24 0.23 118.68 130.90 1bbr s LEU 108 Ca 0.06 2.17 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 1bbr s LEU 108 Cb -0.17 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.48 1bbr s LEU 108 CO 0.09 -1.59 1.62 0.11 0.23 0.00 0.00 176.35 176.81 1bbr h LYS 109 N 0.48 -0.32 -3.60 1.70 1.57 -0.83 -3.37 116.57 112.20 1bbr h LYS 109 Ca -0.48 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.18 1bbr h LYS 109 Cb 1.27 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.46 1bbr h LYS 109 CO 0.54 -0.22 -0.49 -0.98 -0.57 0.00 0.00 179.45 177.74 1bbr s ARG 110 N -6.03 0.54 0.13 3.15 1.70 -1.26 -4.84 118.95 112.35 1bbr s ARG 110 Ca -0.15 -0.53 -0.35 0.00 -0.47 0.00 0.00 55.73 54.23 1bbr s ARG 110 Cb 0.11 0.22 -0.16 0.00 -0.57 0.00 0.00 34.95 34.55 1bbr s ARG 110 CO 0.67 -0.14 1.29 -0.35 -1.08 0.00 0.00 175.30 175.69 1bbr n PRO 111 N 1.16 1.25 -1.62 3.89 -0.04 -1.26 -4.92 135.00 133.46 1bbr n PRO 111 Ca -0.21 0.45 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 1bbr n PRO 111 Cb 0.57 -2.04 0.04 0.00 -0.04 0.00 0.00 33.50 32.03 1bbr n PRO 111 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1bbr s ILE 112 N 0.22 4.10 -0.26 0.52 1.10 0.18 -4.98 121.20 122.08 1bbr s ILE 112 Ca 0.79 0.69 -0.13 0.00 -0.51 0.00 0.00 60.65 61.50 1bbr s ILE 112 Cb -0.88 -3.45 -0.04 0.00 0.15 0.00 0.00 42.46 38.23 1bbr s ILE 112 CO 0.48 -0.88 0.26 -0.70 -2.11 0.00 0.00 174.94 172.00 1bbr s GLU 113 N -5.02 4.03 0.90 3.50 2.12 -1.26 -4.90 118.70 118.07 1bbr s GLU 113 Ca 0.58 -0.14 -0.12 0.00 0.36 0.00 0.00 54.97 55.65 1bbr s GLU 113 Cb -0.14 -3.61 0.13 0.00 0.26 0.00 0.00 34.13 30.77 1bbr s GLU 113 CO 0.54 -0.13 1.11 -0.51 -0.54 0.00 0.00 175.26 175.74 1bbr s LEU 114 N 1.61 2.08 0.00 2.70 1.02 -1.26 -4.91 118.68 119.92 1bbr s LEU 114 Ca 0.11 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.40 1bbr s LEU 114 Cb -0.15 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.54 1bbr s LEU 114 CO 0.09 -2.55 0.00 -1.54 0.02 0.00 0.00 176.35 172.36 1bbr n SER 115 N -3.79 0.00 0.11 2.29 3.41 0.73 -4.89 113.62 111.48 1bbr n SER 115 Ca 0.06 -0.61 0.03 0.00 -0.26 0.00 0.00 58.87 58.09 1bbr n SER 115 Cb 0.58 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.95 1bbr n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bbr h ASP 116 N 0.00 0.24 -0.01 4.04 5.19 -1.99 -3.02 116.42 120.87 1bbr h ASP 116 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1bbr h ASP 116 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1bbr h ASP 116 CO 0.00 0.34 -0.27 -1.22 -3.12 0.00 0.00 179.24 174.97 1bbr n TYR 117 N -4.33 0.00 -3.60 4.55 4.01 -1.26 -4.82 117.16 111.71 1bbr n TYR 117 Ca -0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1bbr n TYR 117 Cb 0.22 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1bbr n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bbr s ILE 118 N -1.87 0.09 -0.06 -0.72 1.01 -1.14 -4.25 121.20 114.26 1bbr s ILE 118 Ca 0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1bbr s ILE 118 Cb 0.14 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1bbr s ILE 118 CO 0.38 -0.55 0.23 -2.28 0.00 0.00 0.00 174.94 172.72 1bbr s HIS 119 N 2.03 -0.19 0.28 3.97 2.46 -0.85 -0.20 115.29 122.80 1bbr s HIS 119 Ca 0.06 0.43 -0.28 0.00 0.47 0.00 0.00 55.06 55.74 1bbr s HIS 119 Cb -0.16 0.06 -0.09 0.00 -0.13 0.00 0.00 32.58 32.26 1bbr s HIS 119 CO -0.25 -0.20 0.98 -1.25 -2.47 0.00 0.00 174.74 171.55 1bbr s PRO 120 N -0.40 4.68 0.50 2.88 0.05 -1.26 -2.41 135.00 139.05 1bbr s PRO 120 Ca -0.05 1.51 -0.05 0.00 0.05 0.00 0.00 61.00 62.46 1bbr s PRO 120 Cb -0.03 -3.07 -0.03 0.00 0.05 0.00 0.00 34.50 31.42 1bbr s PRO 120 CO 0.01 0.34 0.81 0.54 0.05 0.00 0.00 177.00 178.75 1bbr s VAL 121 N -1.34 4.61 0.25 -0.36 0.11 -0.87 -4.97 120.40 117.84 1bbr s VAL 121 Ca 0.46 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 1bbr s VAL 121 Cb -0.25 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 1bbr s VAL 121 CO 0.31 -0.75 0.48 0.00 -3.33 0.00 0.00 175.10 171.80 1bbr s LEU 123 N -3.51 4.20 0.55 0.00 1.43 -1.26 -5.08 118.68 115.01 1bbr s LEU 123 Ca 0.41 0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.58 1bbr s LEU 123 Cb -0.11 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1bbr s LEU 123 CO 0.30 0.27 1.36 -2.16 0.23 0.00 0.00 176.35 176.34 1bbr s PRO 124 N -0.17 3.12 0.41 1.29 0.04 -1.26 -5.05 135.00 133.38 1bbr s PRO 124 Ca 0.10 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.45 1bbr s PRO 124 Cb -0.12 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1bbr s PRO 124 CO 0.00 -1.21 0.35 0.16 0.04 0.00 0.00 177.00 176.34 1bbr s ASP 125 N -0.96 4.98 0.17 6.66 1.47 -1.26 -5.02 116.67 122.70 1bbr s ASP 125 Ca 0.72 -0.77 -0.19 0.00 1.18 0.00 0.00 52.55 53.49 1bbr s ASP 125 Cb -0.40 -0.59 0.09 0.00 -0.34 0.00 0.00 42.92 41.68 1bbr s ASP 125 CO 0.48 -0.62 1.64 0.50 0.68 0.00 0.00 175.17 177.85 1bbr h LYS 126 N 1.10 -0.12 -0.47 2.11 3.11 -2.06 -2.71 116.57 117.52 1bbr h LYS 126 Ca -0.42 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.37 1bbr h LYS 126 Cb 1.26 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1bbr h LYS 126 CO 0.59 -0.08 0.04 1.96 -2.81 0.00 0.00 179.45 179.15 1bbr h GLN 127 N -0.13 0.81 -1.63 1.90 1.08 -2.04 -1.44 115.11 113.66 1bbr h GLN 127 Ca 0.19 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1bbr h GLN 127 Cb 0.42 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1bbr h GLN 127 CO -0.46 0.84 0.00 2.41 -0.95 0.00 0.00 178.83 180.67 1bbr n THR 128 N -4.40 0.16 0.00 -0.54 -1.04 -1.02 -1.54 114.28 105.91 1bbr n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1bbr n THR 128 Cb 0.28 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1bbr n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bbr n ALA 129 N 0.85 0.00 -0.10 2.41 0.00 -0.54 -1.63 120.51 121.49 1bbr n ALA 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1bbr n ALA 129 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.57 1bbr n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bbr h LYS 129 N 0.00 0.84 0.00 0.00 1.57 -1.55 -3.37 116.57 114.06 1bbr h LYS 129 Ca 0.00 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1bbr h LYS 129 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1bbr h LYS 129 CO 0.00 1.03 -1.89 1.28 -0.57 0.00 0.00 179.45 179.30 1bbr n LEU 129 N -4.08 0.11 -4.50 2.94 4.32 -0.65 -4.75 117.00 110.39 1bbr n LEU 129 Ca -0.01 0.04 -0.44 0.00 -0.02 0.00 0.00 56.01 55.59 1bbr n LEU 129 Cb 0.49 0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.29 1bbr n LEU 129 CO 0.46 -0.01 1.47 -0.76 -1.22 0.00 0.00 177.39 177.34 1bbr s LEU 130 N -4.65 4.66 -0.04 2.23 1.43 -1.26 -4.89 118.68 116.15 1bbr s LEU 130 Ca -0.07 -2.60 0.02 0.00 -1.03 0.00 0.00 54.13 50.44 1bbr s LEU 130 Cb 0.13 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1bbr s LEU 130 CO 0.89 -0.95 -0.07 -1.00 0.23 0.00 0.00 176.35 175.45 1bbr s HIS 131 N 2.62 0.91 0.24 0.29 3.76 -1.26 -4.95 115.29 116.91 1bbr s HIS 131 Ca 0.44 -0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.79 1bbr s HIS 131 Cb -0.01 -0.72 -0.15 0.00 1.11 0.00 0.00 32.58 32.81 1bbr s HIS 131 CO -0.00 -0.17 0.99 0.00 -0.85 0.00 0.00 174.74 174.71 1bbr n ALA 132 N 3.73 -0.71 0.00 -1.40 0.00 -1.26 -1.54 120.51 119.32 1bbr n ALA 132 Ca -0.22 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bbr n ALA 132 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1bbr n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bbr n GLY 133 N 1.54 3.06 3.77 0.00 0.00 -1.26 -5.04 105.19 107.25 1bbr n GLY 133 Ca 0.12 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1bbr n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bbr s PHE 134 N -0.65 2.95 0.17 1.61 0.40 -0.59 -5.01 117.98 116.86 1bbr s PHE 134 Ca 0.00 1.27 -0.05 0.00 -0.60 0.00 0.00 56.93 57.55 1bbr s PHE 134 Cb 0.00 -3.78 -0.06 0.00 0.51 0.00 0.00 43.02 39.69 1bbr s PHE 134 CO 0.00 -2.28 0.41 0.15 0.70 0.00 0.00 175.22 174.21 1bbr s LYS 135 N -1.51 3.63 0.25 0.44 1.02 -1.26 -4.88 119.74 117.43 1bbr s LYS 135 Ca 0.52 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.46 1bbr s LYS 135 Cb -0.42 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1bbr s LYS 135 CO 0.53 0.42 0.10 0.20 -0.92 0.00 0.00 175.35 175.68 1bbr s GLY 136 N -2.55 1.68 0.06 -3.33 0.00 -1.26 -5.16 107.32 96.77 1bbr s GLY 136 Ca 0.42 -1.84 0.09 0.00 0.00 0.00 0.00 44.72 43.39 1bbr s GLY 136 CO 0.25 -1.56 -0.25 -1.60 0.00 0.00 0.00 173.10 169.94 1bbr s ARG 137 N -4.05 1.59 -0.02 2.90 3.52 -1.26 -5.14 118.95 116.49 1bbr s ARG 137 Ca 0.38 -1.12 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1bbr s ARG 137 Cb 0.08 -1.82 -0.01 0.00 -1.56 0.00 0.00 34.95 31.64 1bbr s ARG 137 CO 0.13 0.46 -0.15 0.08 -0.81 0.00 0.00 175.30 175.01 1bbr s VAL 138 N -0.87 1.22 0.01 7.11 1.01 -1.26 -5.15 120.40 122.46 1bbr s VAL 138 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1bbr s VAL 138 Cb -0.10 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1bbr s VAL 138 CO 0.03 0.35 -0.04 0.42 0.00 0.00 0.00 175.10 175.86 1bbr s THR 139 N -0.18 0.28 0.00 3.92 -4.23 -1.26 -5.07 115.64 109.10 1bbr s THR 139 Ca 0.02 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1bbr s THR 139 Cb -0.08 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1bbr s THR 139 CO 0.00 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1bbr n GLY 140 N 2.67 -0.13 0.65 3.99 0.00 -1.26 -4.99 105.19 106.12 1bbr n GLY 140 Ca -0.15 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1bbr n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bbr n TRP 141 N -0.11 0.64 -0.68 1.61 8.01 -1.26 -4.68 117.44 120.96 1bbr n TRP 141 Ca 0.00 -0.81 -0.29 0.00 -1.31 0.00 0.00 57.50 55.09 1bbr n TRP 141 Cb 0.00 -0.22 0.24 0.00 -2.01 0.00 0.00 31.31 29.32 1bbr n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bbr s GLY 142 N -1.89 1.53 0.57 6.99 0.00 -1.26 -4.89 107.32 108.37 1bbr s GLY 142 Ca 0.35 -0.35 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 1bbr s GLY 142 CO 0.08 0.41 1.30 -1.31 0.00 0.00 0.00 173.10 173.58 1bbr s ASN 143 N -2.87 5.20 0.00 1.64 0.01 -1.26 -3.13 114.94 114.53 1bbr s ASN 143 Ca 0.68 2.62 0.27 0.00 -0.71 0.00 0.00 52.86 55.73 1bbr s ASN 143 Cb -0.21 -2.62 0.96 0.00 0.41 0.00 0.00 41.25 39.79 1bbr s ASN 143 CO 0.62 -1.60 1.70 0.54 -1.51 0.00 0.00 177.10 176.85 1bbr n ARG 144 N -1.26 0.57 -3.51 -0.60 1.74 -1.25 -0.51 116.66 111.84 1bbr n ARG 144 Ca 0.12 -0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 1bbr n ARG 144 Cb 0.47 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1bbr n ARG 144 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1bbr s ARG 145 N -2.61 1.20 0.00 5.56 1.70 -1.26 -4.48 118.95 119.05 1bbr s ARG 145 Ca 0.23 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 1bbr s ARG 145 Cb 0.19 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 35.03 1bbr s ARG 145 CO 0.53 -0.53 1.60 -1.21 -1.08 0.00 0.00 175.30 174.61 1bbr s GLU 146 N -3.55 4.21 0.05 3.89 2.02 -1.26 -4.95 118.70 119.10 1bbr s GLU 146 Ca 0.04 2.20 -0.32 0.00 0.02 0.00 0.00 54.97 56.91 1bbr s GLU 146 Cb -0.02 -3.77 -0.10 0.00 0.10 0.00 0.00 34.13 30.34 1bbr s GLU 146 CO -0.09 -0.75 1.89 2.41 0.02 0.00 0.00 175.26 178.74 1bbr n THR 147 N 5.05 0.55 -1.26 3.63 -1.04 -1.26 -5.09 114.28 114.86 1bbr n THR 147 Ca 0.16 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1bbr n THR 147 Cb 0.42 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 1bbr n THR 147 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1bbr n TRP 148 N 6.48 0.00 1.19 -1.42 -0.00 -1.26 -5.31 117.44 117.13 1bbr n TRP 148 Ca 0.20 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.82 1bbr n TRP 148 Cb 0.37 0.03 0.27 0.00 -0.00 0.00 0.00 31.31 31.97 1bbr n TRP 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32