#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 5.12 -1.13 1.39 1.01 0.67 -4.17 120.40 123.29 1bbr s VAL 17 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1bbr s VAL 17 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1bbr s VAL 17 CO 0.00 0.32 0.19 -0.62 0.00 0.00 0.00 175.10 174.99 1bbr n GLU 18 N 3.55 -2.13 -0.18 2.72 -0.58 -1.26 -1.63 120.64 121.13 1bbr n GLU 18 Ca -0.06 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1bbr n GLU 18 Cb 0.51 -4.91 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 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 -1.13 1.73 3.09 0.62 0.00 -1.26 -4.74 105.19 103.49 1bbr n GLY 19 Ca -0.13 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 1.87 0.49 0.02 1.61 -2.07 0.69 -4.91 119.66 117.34 1bbr s GLN 20 Ca 0.00 -0.56 -0.33 0.00 -1.82 0.00 0.00 55.36 52.64 1bbr s GLN 20 Cb 0.00 0.19 -0.12 0.00 -1.09 0.00 0.00 33.01 32.00 1bbr s GLN 20 CO 0.00 -0.11 1.81 -0.25 -1.32 0.00 0.00 175.29 175.42 1bbr n ASP 21 N 1.24 3.53 -4.68 12.60 9.92 -1.26 0.01 116.55 137.91 1bbr n ASP 21 Ca -0.22 0.99 -0.29 0.00 -0.53 0.00 0.00 54.79 54.75 1bbr n ASP 21 Cb 0.56 -1.43 0.17 0.00 -0.64 0.00 0.00 41.12 39.79 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 3.13 0.98 -0.02 2.24 0.00 0.85 -4.83 121.76 124.10 1bbr s ALA 22 Ca 0.87 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 1bbr s ALA 22 Cb -0.63 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1bbr s ALA 22 CO 0.45 -2.82 0.22 -1.21 0.00 0.00 0.00 175.76 172.40 1bbr s GLU 23 N -4.98 3.53 0.15 0.00 2.02 -1.26 -4.93 118.70 113.24 1bbr s GLU 23 Ca 0.65 -0.13 -0.32 0.00 0.02 0.00 0.00 54.97 55.19 1bbr s GLU 23 Cb -0.18 -3.11 -0.12 0.00 0.10 0.00 0.00 34.13 30.81 1bbr s GLU 23 CO 0.57 0.69 1.73 1.33 0.02 0.00 0.00 175.26 179.59 1bbr n VAL 24 N 1.29 0.14 -0.61 2.63 0.24 -1.26 -0.59 118.33 120.16 1bbr n VAL 24 Ca -0.13 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1bbr n VAL 24 Cb 0.53 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 1bbr n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bbr n GLY 25 N 3.92 0.80 0.34 7.63 0.00 -1.26 -4.95 105.19 111.67 1bbr n GLY 25 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.95 -6.47 0.99 6.46 -1.25 -3.33 115.31 112.65 1bbr h LEU 26 Ca 0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 1bbr h LEU 26 Cb 0.00 -0.20 -0.40 0.00 -0.73 0.00 0.00 40.66 39.32 1bbr h LEU 26 CO 0.00 0.64 -0.82 -0.24 -0.62 0.00 0.00 178.44 177.40 1bbr n SER 27 N -4.54 1.42 0.26 1.25 2.88 -1.26 -4.95 113.62 108.67 1bbr n SER 27 Ca 0.12 -2.87 0.15 0.00 -1.33 0.00 0.00 58.87 54.94 1bbr n SER 27 Cb 0.12 -0.65 0.68 0.00 -0.75 0.00 0.00 64.21 63.62 1bbr n SER 27 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1bbr h PRO 28 N 4.98 0.00 -0.21 -1.46 0.11 -1.78 0.12 132.00 133.76 1bbr h PRO 28 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bbr h PRO 28 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1bbr h PRO 28 CO 0.57 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.69 1bbr n TRP 29 N -3.04 0.25 -2.32 0.65 2.14 -1.13 -2.18 117.44 111.81 1bbr n TRP 29 Ca 0.01 -0.13 -0.41 0.00 2.07 0.00 0.00 57.50 59.05 1bbr n TRP 29 Cb 0.56 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.03 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 -1.75 3.20 -0.06 -2.67 2.00 0.41 -0.87 119.66 119.92 1bbr s GLN 30 Ca 0.35 0.50 -0.06 0.00 -2.00 0.00 0.00 55.36 54.15 1bbr s GLN 30 Cb 0.20 -4.17 -0.04 0.00 0.80 0.00 0.00 33.01 29.80 1bbr s GLN 30 CO 0.30 -2.06 0.19 0.08 -0.50 0.00 0.00 175.29 173.30 1bbr s VAL 31 N 6.54 5.42 -0.20 1.34 1.01 -0.46 -4.15 120.40 129.90 1bbr s VAL 31 Ca 0.55 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1bbr s VAL 31 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1bbr s VAL 31 CO 0.24 0.48 0.04 -0.32 0.00 0.00 0.00 175.10 175.54 1bbr s MET 32 N -1.45 3.75 -0.18 2.72 1.75 -0.76 -1.58 119.30 123.55 1bbr s MET 32 Ca 0.22 -0.45 -0.16 0.00 -1.25 0.00 0.00 55.69 54.05 1bbr s MET 32 Cb -0.13 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.32 1bbr s MET 32 CO 0.11 0.06 0.38 -1.17 -0.65 0.00 0.00 175.02 173.75 1bbr s LEU 33 N 0.92 4.19 0.01 4.11 1.98 -0.36 -1.54 118.68 127.99 1bbr s LEU 33 Ca 0.03 0.54 0.02 0.00 -2.89 0.00 0.00 54.13 51.83 1bbr s LEU 33 Cb -0.14 -2.49 -0.01 0.00 0.66 0.00 0.00 46.19 44.21 1bbr s LEU 33 CO 0.02 -0.03 -0.08 0.12 -1.89 0.00 0.00 176.35 174.50 1bbr s PHE 34 N 1.04 0.68 -0.03 5.38 2.19 -0.62 -1.42 117.98 125.20 1bbr s PHE 34 Ca 0.19 -0.21 -0.21 0.00 0.33 0.00 0.00 56.93 57.03 1bbr s PHE 34 Cb -0.14 -0.42 -0.05 0.00 -1.31 0.00 0.00 43.02 41.09 1bbr s PHE 34 CO 0.07 -0.02 0.62 0.50 1.83 0.00 0.00 175.22 178.23 1bbr s ARG 35 N -0.50 4.37 0.02 10.12 3.52 -0.65 0.15 118.95 135.98 1bbr s ARG 35 Ca 0.00 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.17 1bbr s ARG 35 Cb -0.04 -3.38 -0.11 0.00 -1.56 0.00 0.00 34.95 29.85 1bbr s ARG 35 CO 0.00 0.27 1.10 -0.22 -0.81 0.00 0.00 175.30 175.64 1bbr h LYS 36 N 6.02 -0.71 -3.44 5.12 3.64 -1.51 -3.17 116.57 122.52 1bbr h LYS 36 Ca -0.44 0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 58.63 1bbr h LYS 36 Cb 1.20 0.16 -0.38 0.00 -0.41 0.00 0.00 32.23 32.80 1bbr h LYS 36 CO 0.72 -0.47 -0.74 -1.12 -2.27 0.00 0.00 179.45 175.56 1bbr s SER 36 N -3.62 0.94 0.35 4.20 0.01 -1.26 -3.13 113.70 111.20 1bbr s SER 36 Ca -0.11 0.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 1bbr s SER 36 Cb 0.01 -0.17 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 1bbr s SER 36 CO 0.32 -0.21 0.99 -2.16 0.41 0.00 0.00 173.24 172.59 1bbr s PRO 37 N 1.84 4.42 -0.23 12.44 0.04 -1.26 -5.05 135.00 147.20 1bbr s PRO 37 Ca 0.01 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.17 1bbr s PRO 37 Cb -0.12 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1bbr s PRO 37 CO -0.03 0.11 2.11 -0.65 0.04 0.00 0.00 177.00 178.58 1bbr s GLN 38 N -2.25 3.23 0.13 4.56 -0.21 -1.18 -4.65 119.66 119.29 1bbr s GLN 38 Ca 0.53 1.93 -0.00 0.00 0.02 0.00 0.00 55.36 57.84 1bbr s GLN 38 Cb -0.20 -4.32 -0.04 0.00 1.00 0.00 0.00 33.01 29.45 1bbr s GLN 38 CO 0.25 -1.99 0.03 -1.21 -2.12 0.00 0.00 175.29 170.25 1bbr s GLU 39 N 6.09 0.92 -0.27 2.91 2.02 -1.20 -4.97 118.70 124.20 1bbr s GLU 39 Ca 0.95 -1.43 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 1bbr s GLU 39 Cb -0.31 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 1bbr s GLU 39 CO 0.35 -0.20 0.39 -1.17 0.02 0.00 0.00 175.26 174.65 1bbr s LEU 40 N -3.06 4.04 -0.17 1.80 0.20 -1.26 -1.63 118.68 118.60 1bbr s LEU 40 Ca 0.21 0.30 -0.14 0.00 0.69 0.00 0.00 54.13 55.19 1bbr s LEU 40 Cb 0.07 -2.45 -0.06 0.00 -0.43 0.00 0.00 46.19 43.32 1bbr s LEU 40 CO 0.00 -0.20 -0.24 0.18 -0.29 0.00 0.00 176.35 175.81 1bbr n LEU 41 N 5.35 1.88 0.00 -0.68 4.77 -0.51 -4.98 117.00 122.84 1bbr n LEU 41 Ca -0.08 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1bbr n LEU 41 Cb 0.51 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1bbr n LEU 41 CO 0.37 -0.26 0.00 0.00 -1.33 0.00 0.00 177.39 176.17 1bbr s GLY 43 N -0.95 2.31 0.07 0.00 0.00 -0.13 -1.22 107.32 107.39 1bbr s GLY 43 Ca 0.00 -1.98 -0.27 0.00 0.00 0.00 0.00 44.72 42.46 1bbr s GLY 43 CO 0.00 -1.87 1.14 0.00 0.00 0.00 0.00 173.10 172.37 1bbr s ALA 44 N -2.59 -1.97 0.04 3.20 0.00 -0.62 -3.73 121.76 116.10 1bbr s ALA 44 Ca 0.42 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.75 1bbr s ALA 44 Cb 0.02 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1bbr s ALA 44 CO 0.23 -1.06 -0.12 -1.54 0.00 0.00 0.00 175.76 173.27 1bbr s SER 45 N -3.06 1.41 -0.28 0.00 1.04 -0.44 -1.35 113.70 111.01 1bbr s SER 45 Ca 0.15 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 1bbr s SER 45 Cb 0.01 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1bbr s SER 45 CO -0.00 -0.03 0.81 -0.22 0.98 0.00 0.00 173.24 174.78 1bbr s LEU 46 N -1.21 4.07 -0.01 2.42 0.20 -0.05 -0.59 118.68 123.51 1bbr s LEU 46 Ca -0.01 0.82 0.13 0.00 0.69 0.00 0.00 54.13 55.76 1bbr s LEU 46 Cb -0.08 -3.13 -0.17 0.00 -0.43 0.00 0.00 46.19 42.38 1bbr s LEU 46 CO 0.01 -0.58 0.39 2.30 -0.29 0.00 0.00 176.35 178.17 1bbr n ILE 47 N 5.44 0.00 -3.50 6.68 -5.35 -0.30 -2.43 119.36 119.90 1bbr n ILE 47 Ca 0.05 -0.26 -0.04 0.00 -0.27 0.00 0.00 62.75 62.23 1bbr n ILE 47 Cb 0.48 0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1bbr n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bbr n SER 48 N -1.67 -0.58 -0.02 7.28 3.41 -1.21 -4.63 113.62 116.19 1bbr n SER 48 Ca -0.00 -1.56 0.14 0.00 -0.26 0.00 0.00 58.87 57.18 1bbr n SER 48 Cb 0.28 1.01 0.53 0.00 -0.26 0.00 0.00 64.21 65.76 1bbr n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bbr n ASP 49 N -1.58 0.24 0.00 4.04 5.75 -1.26 -3.90 116.55 119.83 1bbr n ASP 49 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1bbr n ASP 49 Cb 0.19 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.37 -0.19 -4.02 0.11 0.63 -1.26 -1.42 116.66 109.14 1bbr n ARG 50 Ca 0.09 -0.53 -0.16 0.00 -0.92 0.00 0.00 57.85 56.33 1bbr n ARG 50 Cb 0.32 -0.87 -0.15 0.00 0.45 0.00 0.00 32.46 32.21 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 -0.14 0.37 -0.02 -0.14 0.52 -1.25 0.40 118.94 118.68 1bbr s TRP 51 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 56.10 56.12 1bbr s TRP 51 Cb 0.00 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.94 1bbr s TRP 51 CO 0.00 -0.08 -0.15 0.08 0.02 0.00 0.00 176.95 176.81 1bbr s VAL 52 N 0.53 2.98 -0.06 4.03 1.01 -0.30 -1.15 120.40 127.43 1bbr s VAL 52 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1bbr s VAL 52 Cb -0.09 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1bbr s VAL 52 CO -0.01 0.51 -0.15 -0.22 0.00 0.00 0.00 175.10 175.23 1bbr s LEU 53 N -0.96 2.69 0.00 3.92 2.96 0.24 -0.05 118.68 127.48 1bbr s LEU 53 Ca 0.13 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1bbr s LEU 53 Cb -0.11 -1.55 0.04 0.00 0.50 0.00 0.00 46.19 45.08 1bbr s LEU 53 CO 0.02 0.32 0.56 1.07 -1.32 0.00 0.00 176.35 177.01 1bbr n THR 54 N 2.46 0.00 -3.27 3.68 5.66 -0.14 -1.33 114.28 121.34 1bbr n THR 54 Ca -0.17 -0.88 -0.38 0.00 -3.05 0.00 0.00 64.05 59.56 1bbr n THR 54 Cb 0.52 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 70.02 1bbr n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bbr s ALA 55 N -1.96 3.50 0.32 1.79 0.00 -1.26 -0.22 121.76 123.93 1bbr s ALA 55 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1bbr s ALA 55 Cb -0.03 -2.67 0.80 0.00 0.00 0.00 0.00 23.12 21.21 1bbr s ALA 55 CO 0.11 0.13 1.78 0.00 0.00 0.00 0.00 175.76 177.78 1bbr h ALA 56 N 5.99 1.76 0.00 0.00 0.00 -1.72 -0.67 119.26 124.62 1bbr h ALA 56 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bbr h ALA 56 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bbr h ALA 56 CO 0.71 -0.13 0.00 -2.39 0.00 0.00 0.00 179.25 177.44 1bbr n HIS 57 N -4.74 0.15 0.07 0.00 1.44 -1.26 -0.54 115.22 110.35 1bbr n HIS 57 Ca 0.23 0.08 -0.07 0.00 -2.01 0.00 0.00 57.72 55.95 1bbr n HIS 57 Cb 0.61 -0.62 0.07 0.00 0.12 0.00 0.00 29.99 30.16 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 -3.81 2.47 -3.94 0.00 4.77 -0.09 -4.91 117.00 111.48 1bbr n LEU 59 Ca -0.03 0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 1bbr n LEU 59 Cb 0.68 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 1bbr n LEU 59 CO 0.46 0.73 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.73 1bbr s LEU 60 N -6.72 4.16 0.19 2.23 2.96 0.30 -1.89 118.68 119.90 1bbr s LEU 60 Ca -0.32 -2.26 0.01 0.00 -0.22 0.00 0.00 54.13 51.34 1bbr s LEU 60 Cb 0.10 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1bbr s LEU 60 CO 0.48 -0.35 0.06 -0.47 -1.32 0.00 0.00 176.35 174.75 1bbr s TYR 60 N 0.76 1.21 0.00 5.38 5.04 -0.97 -4.16 117.35 124.62 1bbr s TYR 60 Ca 0.12 -1.16 0.00 0.00 -2.44 0.00 0.00 57.07 53.60 1bbr s TYR 60 Cb -0.20 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.43 1bbr s TYR 60 CO -0.09 -0.37 0.00 -2.30 -1.34 0.00 0.00 175.55 171.45 1bbr n PRO 60 N -0.27 0.00 -0.10 4.97 -0.02 -1.26 -1.39 135.00 136.92 1bbr n PRO 60 Ca -0.03 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1bbr n PRO 60 Cb 0.64 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.24 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 0.00 0.14 -3.70 6.00 7.02 -1.26 -4.98 117.44 120.66 1bbr n TRP 60 Ca 0.00 -0.83 -0.28 0.00 -1.02 0.00 0.00 57.50 55.37 1bbr n TRP 60 Cb 0.00 -0.14 0.03 0.00 -2.42 0.00 0.00 31.31 28.78 1bbr n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1bbr n ASP 60 N -0.97 -4.97 -4.76 -0.99 8.00 -1.14 -4.95 116.55 106.77 1bbr n ASP 60 Ca 0.12 -0.64 -0.37 0.00 0.71 0.00 0.00 54.79 54.61 1bbr n ASP 60 Cb 0.56 -3.99 -0.07 0.00 -0.02 0.00 0.00 41.12 37.61 1bbr n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1bbr s LYS 60 N -6.40 4.15 -0.42 -1.24 1.02 -0.49 -4.98 119.74 111.38 1bbr s LYS 60 Ca 0.58 0.23 0.04 0.00 0.02 0.00 0.00 55.97 56.84 1bbr s LYS 60 Cb -0.29 -3.37 0.28 0.00 -0.52 0.00 0.00 37.83 33.93 1bbr s LYS 60 CO 0.72 0.35 1.09 -1.71 -0.92 0.00 0.00 175.35 174.88 1bbr n ASN 60 N 3.12 -2.17 -4.79 2.83 5.15 -1.09 -2.29 115.26 116.02 1bbr n ASN 60 Ca -0.12 -2.82 -0.36 0.00 -0.60 0.00 0.00 54.58 50.69 1bbr n ASN 60 Cb 0.52 1.49 -0.05 0.00 -0.53 0.00 0.00 39.78 41.20 1bbr n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bbr s PHE 60 N 0.38 3.39 0.36 1.20 0.08 -0.79 -5.04 117.98 117.56 1bbr s PHE 60 Ca 0.27 1.68 0.08 0.00 0.12 0.00 0.00 56.93 59.08 1bbr s PHE 60 Cb 0.24 -3.00 -0.06 0.00 -0.57 0.00 0.00 43.02 39.63 1bbr s PHE 60 CO -0.16 -0.27 0.04 0.95 -0.10 0.00 0.00 175.22 175.68 1bbr s THR 60 N -1.77 2.49 0.56 0.64 -4.23 -1.26 -4.89 115.64 107.17 1bbr s THR 60 Ca 0.57 -1.94 0.33 0.00 -1.18 0.00 0.00 61.69 59.47 1bbr s THR 60 Cb -0.18 -2.85 0.49 0.00 1.34 0.00 0.00 72.50 71.30 1bbr s THR 60 CO 0.23 -0.14 1.80 0.58 -0.54 0.00 0.00 174.62 176.55 1bbr h VAL 61 N 1.75 0.39 -0.00 2.29 2.07 -1.95 0.17 116.25 120.97 1bbr h VAL 61 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1bbr h VAL 61 Cb 1.25 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1bbr h VAL 61 CO 0.69 0.00 -0.04 0.47 0.02 0.00 0.00 177.57 178.71 1bbr n ASP 62 N -4.00 0.06 0.05 0.57 8.00 -1.26 -3.76 116.55 116.20 1bbr n ASP 62 Ca 0.20 0.31 0.11 0.00 0.71 0.00 0.00 54.79 56.12 1bbr n ASP 62 Cb 1.07 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.45 0.64 -4.48 -2.24 8.00 0.60 -4.88 116.55 112.74 1bbr n ASP 63 Ca 0.08 0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 1bbr n ASP 63 Cb 0.32 0.71 -0.13 0.00 -0.02 0.00 0.00 41.12 42.01 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 -4.53 2.72 0.20 0.64 1.43 -1.24 -1.24 118.68 116.66 1bbr s LEU 64 Ca 0.01 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1bbr s LEU 64 Cb 0.13 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1bbr s LEU 64 CO 0.80 0.33 -0.17 -0.76 0.23 0.00 0.00 176.35 176.78 1bbr s LEU 65 N -0.83 2.68 -0.17 1.79 1.43 0.12 -4.37 118.68 119.33 1bbr s LEU 65 Ca 0.12 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1bbr s LEU 65 Cb -0.11 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1bbr s LEU 65 CO 0.01 0.11 -0.18 -0.69 0.23 0.00 0.00 176.35 175.83 1bbr s VAL 66 N -1.76 1.92 -0.35 -1.59 1.01 0.01 -1.59 120.40 118.05 1bbr s VAL 66 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1bbr s VAL 66 Cb -0.08 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.64 1bbr s VAL 66 CO 0.13 0.51 0.08 -0.13 0.00 0.00 0.00 175.10 175.69 1bbr s ARG 67 N 1.35 1.97 0.32 2.72 0.52 -0.59 -1.21 118.95 124.03 1bbr s ARG 67 Ca 0.05 -1.66 0.01 0.00 -0.52 0.00 0.00 55.73 53.61 1bbr s ARG 67 Cb -0.13 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1bbr s ARG 67 CO -0.12 -0.88 0.50 0.42 0.02 0.00 0.00 175.30 175.24 1bbr s ILE 68 N 1.09 5.14 -0.31 1.52 1.09 0.11 -1.82 121.20 128.02 1bbr s ILE 68 Ca 0.04 -0.57 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 1bbr s ILE 68 Cb -0.21 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 1bbr s ILE 68 CO -0.05 -0.49 0.00 0.61 -0.10 0.00 0.00 174.94 174.91 1bbr n GLY 69 N -1.65 0.54 3.88 6.18 0.00 -1.26 -1.58 105.19 111.29 1bbr n GLY 69 Ca -0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.50 2.87 0.19 1.61 1.02 -1.26 -4.39 119.74 118.29 1bbr s LYS 70 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1bbr s LYS 70 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1bbr s LYS 70 CO 0.00 -1.04 0.00 1.58 -0.92 0.00 0.00 175.35 174.97 1bbr n HIS 71 N -3.02 -1.83 -2.28 3.18 -0.00 -1.26 -4.97 115.22 105.04 1bbr n HIS 71 Ca 0.07 0.36 -0.40 0.00 -0.00 0.00 0.00 57.72 57.74 1bbr n HIS 71 Cb 0.57 0.77 -0.03 0.00 -0.00 0.00 0.00 29.99 31.30 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 -4.32 7.00 0.01 0.26 0.15 -1.26 -1.51 113.70 114.03 1bbr s SER 72 Ca 0.00 2.50 -0.27 0.00 0.70 0.00 0.00 55.95 58.88 1bbr s SER 72 Cb 0.00 -2.64 -0.15 0.00 -1.71 0.00 0.00 66.02 61.52 1bbr s SER 72 CO 0.00 -0.36 1.14 -0.09 1.20 0.00 0.00 173.24 175.14 1bbr h ARG 73 N 3.58 -0.85 0.00 5.44 2.43 0.24 -3.36 114.38 121.86 1bbr h ARG 73 Ca -0.48 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1bbr h ARG 73 Cb 1.22 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1bbr h ARG 73 CO 0.66 -0.54 0.00 2.41 -1.51 0.00 0.00 179.97 180.99 1bbr n THR 74 N -5.37 0.87 -4.33 0.20 -1.04 -1.26 -4.95 114.28 98.39 1bbr n THR 74 Ca -0.12 0.29 -0.17 0.00 -2.04 0.00 0.00 64.05 62.01 1bbr n THR 74 Cb 0.36 -1.22 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 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 -3.33 1.32 -0.39 -2.82 1.70 -1.26 -5.09 118.95 109.09 1bbr s ARG 75 Ca 0.04 -1.64 -0.29 0.00 -0.47 0.00 0.00 55.73 53.37 1bbr s ARG 75 Cb 0.09 -0.79 0.02 0.00 -0.57 0.00 0.00 34.95 33.69 1bbr s ARG 75 CO 0.36 0.00 1.17 -0.47 -1.08 0.00 0.00 175.30 175.29 1bbr s TYR 76 N -3.26 2.86 -1.03 5.89 5.04 -1.26 -4.84 117.35 120.75 1bbr s TYR 76 Ca 0.25 0.90 -0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1bbr s TYR 76 Cb 0.04 -4.09 0.28 0.00 0.35 0.00 0.00 41.96 38.54 1bbr s TYR 76 CO 0.07 -1.25 1.20 0.39 -1.34 0.00 0.00 175.55 174.62 1bbr n GLU 77 N 7.45 3.73 -0.23 4.97 1.02 -1.26 -4.91 120.64 131.41 1bbr n GLU 77 Ca 0.13 -4.52 -0.06 0.00 -0.02 0.00 0.00 57.16 52.69 1bbr n GLU 77 Cb 0.48 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 1bbr n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bbr n ARG 77 N 1.87 -0.24 -0.16 3.49 5.12 -1.26 0.18 116.66 125.66 1bbr n ARG 77 Ca 0.25 0.85 -0.07 0.00 -1.93 0.00 0.00 57.85 56.95 1bbr n ARG 77 Cb 0.36 -1.25 0.08 0.00 -1.16 0.00 0.00 32.46 30.49 1bbr n ARG 77 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1bbr h LYS 78 N 0.00 0.94 0.00 5.56 1.79 -2.02 -3.38 116.57 119.46 1bbr h LYS 78 Ca 0.09 -0.29 -0.19 0.00 -2.18 0.00 0.00 60.65 58.07 1bbr h LYS 78 Cb 0.22 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1bbr h LYS 78 CO -0.51 0.95 -1.91 1.33 -1.08 0.00 0.00 179.45 178.23 1bbr n VAL 79 N -4.18 0.73 -3.38 0.50 0.24 -0.45 -5.04 118.33 106.75 1bbr n VAL 79 Ca 0.02 -0.54 -0.31 0.00 -2.04 0.00 0.00 64.34 61.47 1bbr n VAL 79 Cb 0.35 -0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.25 1bbr n VAL 79 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1bbr s GLU 80 N -2.54 3.79 -0.09 7.34 -1.05 0.46 -4.55 118.70 122.07 1bbr s GLU 80 Ca -0.07 0.26 0.03 0.00 -0.15 0.00 0.00 54.97 55.05 1bbr s GLU 80 Cb 0.06 -2.63 0.01 0.00 -0.44 0.00 0.00 34.13 31.12 1bbr s GLU 80 CO 0.60 0.29 -0.18 0.21 0.95 0.00 0.00 175.26 177.13 1bbr s LYS 81 N -2.95 2.43 -0.17 -4.83 2.36 -0.62 -4.81 119.74 111.16 1bbr s LYS 81 Ca 0.47 -0.66 -0.01 0.00 -2.55 0.00 0.00 55.97 53.23 1bbr s LYS 81 Cb -0.11 -1.90 -0.00 0.00 -1.05 0.00 0.00 37.83 34.77 1bbr s LYS 81 CO 0.22 0.10 -0.13 0.42 1.55 0.00 0.00 175.35 177.51 1bbr s ILE 82 N 0.52 2.79 0.32 5.43 1.01 -1.26 0.09 121.20 130.10 1bbr s ILE 82 Ca -0.16 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1bbr s ILE 82 Cb -0.17 -2.20 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 1bbr s ILE 82 CO 0.06 0.50 0.05 -0.44 0.00 0.00 0.00 174.94 175.11 1bbr s SER 83 N 0.92 2.39 0.34 3.58 0.01 -0.35 -4.96 113.70 115.63 1bbr s SER 83 Ca -0.03 -1.36 0.09 0.00 1.31 0.00 0.00 55.95 55.96 1bbr s SER 83 Cb -0.15 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1bbr s SER 83 CO -0.01 -0.59 0.06 -0.04 0.41 0.00 0.00 173.24 173.07 1bbr s MET 84 N -3.88 2.17 0.43 12.44 -1.94 -1.26 -0.81 119.30 126.45 1bbr s MET 84 Ca 0.36 -1.69 0.07 0.00 -1.71 0.00 0.00 55.69 52.72 1bbr s MET 84 Cb 0.08 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 1bbr s MET 84 CO 0.15 0.12 0.31 -0.51 -0.01 0.00 0.00 175.02 175.08 1bbr s LEU 85 N -3.76 3.22 -0.07 -0.03 1.43 -1.26 -1.68 118.68 116.53 1bbr s LEU 85 Ca 0.36 -0.92 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1bbr s LEU 85 Cb -0.01 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 1bbr s LEU 85 CO 0.20 -0.66 0.02 -0.67 0.23 0.00 0.00 176.35 175.47 1bbr n ASP 86 N -1.46 3.22 -3.44 2.29 2.03 0.26 -4.46 116.55 114.99 1bbr n ASP 86 Ca 0.01 -0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 1bbr n ASP 86 Cb 0.63 0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 41.63 1bbr n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1bbr s LYS 87 N -2.18 1.24 -0.09 -0.67 1.02 -1.21 -5.02 119.74 112.84 1bbr s LYS 87 Ca -0.04 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1bbr s LYS 87 Cb 0.02 0.57 0.01 0.00 -0.52 0.00 0.00 37.83 37.91 1bbr s LYS 87 CO 0.29 -0.52 -0.17 0.42 -0.92 0.00 0.00 175.35 174.44 1bbr s ILE 88 N -3.42 1.55 -0.30 2.17 1.01 -1.26 -2.11 121.20 118.84 1bbr s ILE 88 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1bbr s ILE 88 Cb -0.01 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.15 1bbr s ILE 88 CO -0.10 0.45 -0.01 -0.31 0.00 0.00 0.00 174.94 174.96 1bbr s TYR 89 N 0.63 3.45 -0.12 3.97 2.02 -0.17 -5.01 117.35 122.12 1bbr s TYR 89 Ca -0.14 -2.47 -0.05 0.00 -0.37 0.00 0.00 57.07 54.04 1bbr s TYR 89 Cb -0.16 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 1bbr s TYR 89 CO 0.04 -0.90 0.06 0.42 -1.57 0.00 0.00 175.55 173.60 1bbr s ILE 90 N 1.07 4.77 0.18 2.71 1.01 -1.26 -0.67 121.20 129.00 1bbr s ILE 90 Ca -0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.25 1bbr s ILE 90 Cb -0.20 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 1bbr s ILE 90 CO -0.05 0.57 1.52 1.57 0.00 0.00 0.00 174.94 178.55 1bbr n HIS 91 N 2.44 2.20 0.26 3.97 -0.00 -1.01 -4.82 115.22 118.27 1bbr n HIS 91 Ca -0.19 0.33 0.13 0.00 -0.00 0.00 0.00 57.72 58.00 1bbr n HIS 91 Cb 0.54 -2.51 0.73 0.00 -0.00 0.00 0.00 29.99 28.75 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 5.38 0.00 -0.33 1.57 0.13 -1.94 -3.00 132.00 133.81 1bbr h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bbr h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bbr h PRO 92 CO 0.85 0.11 0.00 -2.13 -0.23 0.00 0.00 178.00 176.60 1bbr n ARG 93 N -3.65 3.14 -2.14 0.86 3.00 -1.26 -5.01 116.66 111.60 1bbr n ARG 93 Ca -0.02 -2.70 -0.41 0.00 -0.00 0.00 0.00 57.85 54.71 1bbr n ARG 93 Cb 0.23 -1.76 -0.03 0.00 0.00 0.00 0.00 32.46 30.90 1bbr n ARG 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1bbr s TYR 94 N -2.36 3.18 -0.32 -0.14 5.04 -1.14 -4.75 117.35 116.87 1bbr s TYR 94 Ca 0.40 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1bbr s TYR 94 Cb 0.30 -3.69 0.07 0.00 0.35 0.00 0.00 41.96 38.99 1bbr s TYR 94 CO 0.12 -2.25 0.03 1.21 -1.34 0.00 0.00 175.55 173.32 1bbr s ASN 95 N 0.50 4.85 0.10 4.32 3.84 -0.78 -4.97 114.94 122.79 1bbr s ASN 95 Ca 0.59 -1.63 0.22 0.00 0.21 0.00 0.00 52.86 52.25 1bbr s ASN 95 Cb -0.38 -1.69 -0.15 0.00 -0.55 0.00 0.00 41.25 38.48 1bbr s ASN 95 CO 0.38 -0.33 0.79 -2.67 -2.79 0.00 0.00 177.10 172.49 1bbr n TRP 96 N 4.50 0.56 -0.07 0.43 4.27 -1.26 -1.37 117.44 124.50 1bbr n TRP 96 Ca -0.08 0.16 -0.13 0.00 -3.89 0.00 0.00 57.50 53.56 1bbr n TRP 96 Cb 0.42 -0.77 -0.12 0.00 -1.36 0.00 0.00 31.31 29.48 1bbr n TRP 96 CO 0.00 0.00 0.00 1.57 -2.29 0.00 0.00 177.69 176.97 1bbr h LYS 97 N 0.00 -0.00 0.01 -2.67 2.10 -2.00 -3.42 116.57 110.59 1bbr h LYS 97 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1bbr h LYS 97 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1bbr h LYS 97 CO 0.00 0.94 -0.00 1.49 -2.00 0.00 0.00 179.45 179.88 1bbr h GLU 97 N -0.99 -0.01 0.00 0.07 4.81 -2.02 -3.46 114.58 112.98 1bbr h GLU 97 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1bbr h GLU 97 Cb 0.94 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1bbr h GLU 97 CO 0.00 0.83 -0.09 0.27 -0.73 0.00 0.00 179.01 179.29 1bbr n ASN 98 N -4.66 -0.30 -3.92 1.04 6.94 -1.26 -4.79 115.26 108.31 1bbr n ASN 98 Ca -0.09 -1.19 -0.30 0.00 -0.02 0.00 0.00 54.58 52.98 1bbr n ASN 98 Cb 0.40 0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.94 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 -2.54 -4.77 -4.53 7.99 -0.47 -4.95 117.00 107.73 1bbr n LEU 99 Ca -0.08 -0.78 -0.36 0.00 -0.01 0.00 0.00 56.01 54.77 1bbr n LEU 99 Cb 0.51 -2.55 0.01 0.00 -0.11 0.00 0.00 43.42 41.28 1bbr n LEU 99 CO -0.04 0.47 0.81 -0.62 -1.51 0.00 0.00 177.39 176.50 1bbr s ASP 100 N -3.32 5.70 -1.34 -1.43 2.15 -0.99 -3.41 116.67 114.03 1bbr s ASP 100 Ca 0.66 2.28 -0.16 0.00 0.43 0.00 0.00 52.55 55.75 1bbr s ASP 100 Cb -0.33 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.71 1bbr s ASP 100 CO 0.83 -1.24 0.45 0.54 -0.17 0.00 0.00 175.17 175.58 1bbr n ARG 101 N -1.16 -1.13 -2.54 4.34 1.74 -1.26 -1.88 116.66 114.77 1bbr n ARG 101 Ca 0.11 0.19 -0.43 0.00 -0.77 0.00 0.00 57.85 56.95 1bbr n ARG 101 Cb 0.50 -3.43 -0.00 0.00 -1.02 0.00 0.00 32.46 28.51 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 -2.60 4.88 -3.75 0.55 2.03 -1.22 -4.40 116.55 112.05 1bbr n ASP 102 Ca -0.21 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 1bbr n ASP 102 Cb 0.63 -1.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 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 4.20 0.02 -0.01 5.18 2.07 -1.26 -3.94 121.20 127.47 1bbr s ILE 103 Ca 0.54 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.56 1bbr s ILE 103 Cb 0.04 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 1bbr s ILE 103 CO 0.07 -0.10 0.08 0.00 -1.91 0.00 0.00 174.94 173.09 1bbr s ALA 104 N -0.42 -0.19 -0.22 1.50 0.00 0.69 -2.39 121.76 120.74 1bbr s ALA 104 Ca -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1bbr s ALA 104 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bbr s ALA 104 CO 0.02 -0.14 -0.02 -0.51 0.00 0.00 0.00 175.76 175.11 1bbr s LEU 105 N -0.92 3.07 -0.33 0.00 1.43 0.15 -0.96 118.68 121.11 1bbr s LEU 105 Ca -0.10 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1bbr s LEU 105 Cb -0.06 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1bbr s LEU 105 CO 0.00 0.01 0.14 -0.76 0.23 0.00 0.00 176.35 175.97 1bbr s LEU 106 N 1.34 4.30 -0.41 1.79 1.02 0.93 -1.00 118.68 126.65 1bbr s LEU 106 Ca 0.04 -0.86 -0.24 0.00 0.02 0.00 0.00 54.13 53.09 1bbr s LEU 106 Cb -0.14 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.13 1bbr s LEU 106 CO -0.00 -0.29 0.84 -0.75 0.02 0.00 0.00 176.35 176.17 1bbr s LYS 107 N 1.52 3.62 0.43 1.70 2.47 -0.89 -1.15 119.74 127.43 1bbr s LYS 107 Ca 0.02 0.21 -0.26 0.00 -1.56 0.00 0.00 55.97 54.38 1bbr s LYS 107 Cb -0.18 -3.87 -0.09 0.00 -1.46 0.00 0.00 37.83 32.22 1bbr s LYS 107 CO 0.05 -1.03 1.44 1.28 0.16 0.00 0.00 175.35 177.25 1bbr n LEU 108 N 6.75 4.98 -0.03 5.43 4.77 0.16 -0.58 117.00 138.47 1bbr n LEU 108 Ca 0.04 1.15 -0.12 0.00 -0.03 0.00 0.00 56.01 57.06 1bbr n LEU 108 Cb 0.48 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1bbr n LEU 108 CO 0.58 -0.09 0.58 0.50 -1.33 0.00 0.00 177.39 177.64 1bbr h LYS 109 N 2.46 -0.43 -3.94 3.23 3.64 -1.54 -3.40 116.57 116.59 1bbr h LYS 109 Ca -0.51 0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 58.62 1bbr h LYS 109 Cb 1.26 0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.89 1bbr h LYS 109 CO 0.62 -0.29 -0.74 -0.98 -2.27 0.00 0.00 179.45 175.79 1bbr s ARG 110 N -5.88 0.20 0.38 1.90 1.70 -1.26 -4.83 118.95 111.16 1bbr s ARG 110 Ca -0.15 -0.05 -0.24 0.00 -0.47 0.00 0.00 55.73 54.82 1bbr s ARG 110 Cb 0.10 -0.22 -0.13 0.00 -0.57 0.00 0.00 34.95 34.12 1bbr s ARG 110 CO 0.65 0.02 0.57 -2.30 -1.08 0.00 0.00 175.30 173.16 1bbr n PRO 111 N 3.20 0.57 -3.00 3.89 -0.02 -1.26 -5.00 135.00 133.39 1bbr n PRO 111 Ca -0.15 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.30 1bbr n PRO 111 Cb 0.58 -1.46 0.01 0.00 -0.02 0.00 0.00 33.50 32.60 1bbr n PRO 111 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1bbr s ILE 112 N -1.38 4.25 -0.31 4.25 1.10 -0.51 -5.03 121.20 123.57 1bbr s ILE 112 Ca 0.62 -0.41 -0.05 0.00 -0.51 0.00 0.00 60.65 60.31 1bbr s ILE 112 Cb -0.65 -3.58 0.04 0.00 0.15 0.00 0.00 42.46 38.42 1bbr s ILE 112 CO 0.58 -0.42 0.05 -0.70 -2.11 0.00 0.00 174.94 172.34 1bbr s GLU 113 N -4.55 2.66 1.00 3.50 2.12 -1.26 -4.89 118.70 117.28 1bbr s GLU 113 Ca 0.47 -1.13 -0.13 0.00 0.36 0.00 0.00 54.97 54.53 1bbr s GLU 113 Cb -0.10 -3.31 0.11 0.00 0.26 0.00 0.00 34.13 31.09 1bbr s GLU 113 CO 0.38 -0.59 0.58 1.28 -0.54 0.00 0.00 175.26 176.38 1bbr n LEU 114 N 4.75 0.09 0.00 2.70 4.32 -1.26 -4.90 117.00 122.70 1bbr n LEU 114 Ca -0.13 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1bbr n LEU 114 Cb 0.45 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1bbr n LEU 114 CO 0.29 -3.14 0.00 -1.20 -1.22 0.00 0.00 177.39 172.12 1bbr n SER 115 N -2.54 0.00 -0.16 -1.43 7.64 0.18 -4.90 113.62 112.40 1bbr n SER 115 Ca 0.06 -0.57 -0.04 0.00 1.01 0.00 0.00 58.87 59.33 1bbr n SER 115 Cb 0.55 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1bbr n SER 115 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1bbr h ASP 116 N 0.00 0.34 0.02 6.43 5.19 -1.99 -2.90 116.42 123.52 1bbr h ASP 116 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1bbr h ASP 116 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1bbr h ASP 116 CO 0.00 0.24 -0.33 -1.22 -3.12 0.00 0.00 179.24 174.81 1bbr n TYR 117 N -4.90 0.00 -3.82 4.55 4.01 -1.26 -4.85 117.16 110.89 1bbr n TYR 117 Ca 0.04 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.50 1bbr n TYR 117 Cb 0.14 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.37 0.88 -0.25 -0.72 1.01 -1.09 -4.16 121.20 114.51 1bbr s ILE 118 Ca 0.22 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 1bbr s ILE 118 Cb 0.19 -1.23 0.09 0.00 0.01 0.00 0.00 42.46 41.52 1bbr s ILE 118 CO 0.50 -0.07 0.82 -2.28 0.00 0.00 0.00 174.94 173.91 1bbr s HIS 119 N 1.71 -0.66 0.66 3.97 2.46 -0.93 0.47 115.29 122.97 1bbr s HIS 119 Ca -0.01 1.55 -0.15 0.00 0.47 0.00 0.00 55.06 56.92 1bbr s HIS 119 Cb -0.17 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.61 1bbr s HIS 119 CO -0.07 -0.36 1.13 -1.25 -2.47 0.00 0.00 174.74 171.72 1bbr s PRO 120 N 0.10 2.71 0.19 2.88 0.04 -1.26 -2.83 135.00 136.83 1bbr s PRO 120 Ca -0.00 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.58 1bbr s PRO 120 Cb -0.04 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1bbr s PRO 120 CO -0.00 -1.34 0.26 0.54 0.04 0.00 0.00 177.00 176.50 1bbr s VAL 121 N -2.20 5.02 0.31 -0.36 0.11 -1.02 -4.92 120.40 117.33 1bbr s VAL 121 Ca 0.69 -0.95 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1bbr s VAL 121 Cb -0.23 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 1bbr s VAL 121 CO 0.41 -0.20 0.62 0.00 -3.33 0.00 0.00 175.10 172.60 1bbr s LEU 123 N -3.44 4.22 0.64 0.00 1.43 -1.26 -0.19 118.68 120.07 1bbr s LEU 123 Ca 0.47 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.75 1bbr s LEU 123 Cb -0.11 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1bbr s LEU 123 CO 0.28 0.28 1.05 -2.16 0.23 0.00 0.00 176.35 176.02 1bbr s PRO 124 N -0.23 3.22 0.45 1.29 0.04 -1.26 -4.91 135.00 133.60 1bbr s PRO 124 Ca 0.10 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.24 1bbr s PRO 124 Cb -0.12 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1bbr s PRO 124 CO 0.01 -0.88 0.31 0.16 0.04 0.00 0.00 177.00 176.64 1bbr s ASP 125 N -3.40 4.70 0.47 6.66 -4.77 -1.26 -4.90 116.67 114.17 1bbr s ASP 125 Ca 0.60 -1.02 0.25 0.00 -3.30 0.00 0.00 52.55 49.07 1bbr s ASP 125 Cb -0.14 -0.23 1.28 0.00 -1.09 0.00 0.00 42.92 42.73 1bbr s ASP 125 CO 0.46 -0.75 1.85 0.11 0.70 0.00 0.00 175.17 177.54 1bbr h LYS 126 N 1.09 0.21 0.24 2.11 1.57 -1.98 -2.77 116.57 117.03 1bbr h LYS 126 Ca -0.41 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.02 1bbr h LYS 126 Cb 1.27 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 33.57 1bbr h LYS 126 CO 0.62 0.14 -1.55 -0.56 -0.57 0.00 0.00 179.45 177.53 1bbr h GLN 127 N 0.22 0.50 -1.31 3.15 3.07 -2.04 -2.37 115.11 116.33 1bbr h GLN 127 Ca 0.48 -0.85 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1bbr h GLN 127 Cb 1.52 0.32 0.00 0.00 0.08 0.00 0.00 27.48 29.40 1bbr h GLN 127 CO -0.12 1.41 0.00 2.41 0.09 0.00 0.00 178.83 182.62 1bbr n THR 128 N -3.68 0.36 0.00 1.86 -1.04 -1.05 -1.19 114.28 109.55 1bbr n THR 128 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1bbr n THR 128 Cb 1.10 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.67 0.00 0.08 2.41 0.00 -0.89 0.49 120.51 123.26 1bbr n ALA 129 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1bbr n ALA 129 Cb 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 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 0.26 0.02 0.00 1.57 -1.43 -3.40 116.57 113.58 1bbr h LYS 129 Ca 0.00 -0.45 -0.31 0.00 -1.87 0.00 0.00 60.65 58.02 1bbr h LYS 129 Cb 0.00 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1bbr h LYS 129 CO 0.00 1.15 -1.84 1.28 -0.57 0.00 0.00 179.45 179.47 1bbr n LEU 129 N -3.48 1.02 -4.56 2.94 4.32 0.18 -4.79 117.00 112.63 1bbr n LEU 129 Ca -0.14 0.33 -0.36 0.00 -0.02 0.00 0.00 56.01 55.82 1bbr n LEU 129 Cb 1.04 0.04 -0.04 0.00 -1.62 0.00 0.00 43.42 42.84 1bbr n LEU 129 CO 0.52 0.47 1.40 -0.76 -1.22 0.00 0.00 177.39 177.80 1bbr s LEU 130 N -6.14 3.31 -0.14 2.23 1.43 -1.26 -4.85 118.68 113.27 1bbr s LEU 130 Ca -0.08 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 1bbr s LEU 130 Cb 0.08 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.78 1bbr s LEU 130 CO 0.81 -2.04 0.34 -1.00 0.23 0.00 0.00 176.35 174.69 1bbr s HIS 131 N 7.13 -0.44 0.21 0.29 3.76 -1.26 -4.96 115.29 120.02 1bbr s HIS 131 Ca 0.54 1.01 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 1bbr s HIS 131 Cb -0.05 0.16 -0.15 0.00 1.11 0.00 0.00 32.58 33.64 1bbr s HIS 131 CO 0.01 -0.25 1.03 0.00 -0.85 0.00 0.00 174.74 174.68 1bbr n ALA 132 N 3.70 -0.91 0.00 -1.40 0.00 -1.26 -0.79 120.51 119.86 1bbr n ALA 132 Ca -0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1bbr n ALA 132 Cb 0.56 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.72 3.05 3.77 0.00 0.00 -0.53 -4.93 105.19 108.27 1bbr n GLY 133 Ca 0.14 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.90 3.09 -0.06 1.61 0.08 0.03 -4.62 117.98 116.21 1bbr s PHE 134 Ca 0.00 1.54 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 1bbr s PHE 134 Cb 0.00 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 38.99 1bbr s PHE 134 CO 0.00 -1.35 0.12 0.15 -0.10 0.00 0.00 175.22 174.04 1bbr s LYS 135 N -2.18 3.31 0.52 0.44 1.02 -1.26 -0.19 119.74 121.39 1bbr s LYS 135 Ca 0.55 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1bbr s LYS 135 Cb -0.32 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1bbr s LYS 135 CO 0.41 0.71 0.02 0.20 -0.92 0.00 0.00 175.35 175.77 1bbr s GLY 136 N -1.41 3.03 0.06 -3.33 0.00 0.34 -4.78 107.32 101.22 1bbr s GLY 136 Ca 0.20 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.67 1bbr s GLY 136 CO 0.10 -2.20 -0.17 -1.60 0.00 0.00 0.00 173.10 169.24 1bbr s ARG 137 N -3.90 1.04 -0.01 2.90 3.52 0.13 -1.12 118.95 121.50 1bbr s ARG 137 Ca 0.05 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.74 1bbr s ARG 137 Cb 0.01 -1.12 0.01 0.00 -1.56 0.00 0.00 34.95 32.29 1bbr s ARG 137 CO 0.03 0.27 -0.01 0.08 -0.81 0.00 0.00 175.30 174.86 1bbr s VAL 138 N -1.00 0.18 0.02 7.11 1.01 0.21 -1.32 120.40 126.61 1bbr s VAL 138 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1bbr s VAL 138 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1bbr s VAL 138 CO 0.02 0.10 -0.08 0.42 0.00 0.00 0.00 175.10 175.56 1bbr s THR 139 N 0.45 0.56 0.00 3.92 -4.23 -1.26 -1.91 115.64 113.17 1bbr s THR 139 Ca -0.04 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1bbr s THR 139 Cb -0.07 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1bbr s THR 139 CO -0.01 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1bbr n GLY 140 N 2.18 0.36 1.21 3.99 0.00 -1.00 -4.55 105.19 107.38 1bbr n GLY 140 Ca -0.18 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.15 0.84 -0.47 1.61 8.01 -1.26 -2.56 117.44 123.45 1bbr n TRP 141 Ca 0.00 -0.47 -0.29 0.00 -1.31 0.00 0.00 57.50 55.43 1bbr n TRP 141 Cb 0.00 -0.00 0.23 0.00 -2.01 0.00 0.00 31.31 29.53 1bbr n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bbr n GLY 142 N 1.44 -2.70 3.75 6.99 0.00 -1.20 -4.32 105.19 109.16 1bbr n GLY 142 Ca 0.22 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1bbr n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bbr s ASN 143 N -2.33 5.31 0.00 1.61 0.02 0.86 -3.28 114.94 117.13 1bbr s ASN 143 Ca 0.61 2.53 0.27 0.00 -1.02 0.00 0.00 52.86 55.24 1bbr s ASN 143 Cb -0.16 -2.61 0.85 0.00 0.02 0.00 0.00 41.25 39.35 1bbr s ASN 143 CO 0.60 -1.52 1.63 0.54 0.02 0.00 0.00 177.10 178.37 1bbr n ARG 144 N -1.26 1.48 -3.69 -0.60 1.74 0.16 -0.83 116.66 113.67 1bbr n ARG 144 Ca 0.12 -0.93 -0.07 0.00 -0.77 0.00 0.00 57.85 56.21 1bbr n ARG 144 Cb 0.48 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 1bbr n ARG 144 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1bbr s ARG 145 N -2.15 1.33 -0.44 5.56 3.52 -1.26 -4.35 118.95 121.15 1bbr s ARG 145 Ca 0.33 -0.67 -0.28 0.00 -0.13 0.00 0.00 55.73 54.97 1bbr s ARG 145 Cb 0.20 0.50 0.01 0.00 -1.56 0.00 0.00 34.95 34.09 1bbr s ARG 145 CO 0.39 -0.60 1.47 -1.21 -0.81 0.00 0.00 175.30 174.54 1bbr s GLU 146 N -3.53 3.46 -0.98 5.12 2.02 -1.26 -4.82 118.70 118.70 1bbr s GLU 146 Ca 0.09 0.88 -0.20 0.00 0.02 0.00 0.00 54.97 55.76 1bbr s GLU 146 Cb -0.03 -4.08 0.11 0.00 0.10 0.00 0.00 34.13 30.24 1bbr s GLU 146 CO -0.01 -1.72 1.25 0.95 0.02 0.00 0.00 175.26 175.75 1bbr s THR 147 N 5.85 4.51 -0.39 3.63 -4.23 -1.26 -4.83 115.64 118.93 1bbr s THR 147 Ca 0.62 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1bbr s THR 147 Cb -0.14 -4.87 0.35 0.00 1.34 0.00 0.00 72.50 69.18 1bbr s THR 147 CO 0.31 -1.64 1.33 0.79 -0.54 0.00 0.00 174.62 174.86 1bbr n TRP 148 N 7.18 -2.21 -2.70 3.99 7.02 -1.26 -4.93 117.44 124.52 1bbr n TRP 148 Ca 0.28 -1.76 -0.42 0.00 -1.02 0.00 0.00 57.50 54.57 1bbr n TRP 148 Cb 0.49 1.55 -0.03 0.00 -2.42 0.00 0.00 31.31 30.90 1bbr n TRP 148 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1bbr s THR 149 N 0.18 4.10 -0.29 -0.99 2.01 -1.26 -5.28 115.64 114.10 1bbr s THR 149 Ca 0.19 0.32 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 1bbr s THR 149 Cb 0.36 -4.72 0.17 0.00 0.01 0.00 0.00 72.50 68.32 1bbr s THR 149 CO -0.08 -1.46 1.16 -0.94 -0.69 0.00 0.00 174.62 172.61 1bbr s SER 149 N 3.31 -0.27 0.00 3.53 1.04 -1.26 -5.02 113.70 115.03 1bbr s SER 149 Ca 0.33 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1bbr s SER 149 Cb -0.11 0.90 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1bbr s SER 149 CO 0.17 -0.07 0.00 1.33 0.98 0.00 0.00 173.24 175.65 1bbr n VAL 149 N 2.91 0.00 -3.90 5.02 0.24 -1.26 -4.86 118.33 116.48 1bbr n VAL 149 Ca -0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1bbr n VAL 149 Cb 0.57 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.83 1bbr n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bbr s ALA 149 N 0.00 -0.17 0.00 2.33 0.00 -1.26 -4.69 121.76 117.98 1bbr s ALA 149 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1bbr s ALA 149 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1bbr s ALA 149 CO 0.00 -0.16 0.00 -1.91 0.00 0.00 0.00 175.76 173.69 1bbr n GLU 149 N 1.85 0.00 0.04 0.00 2.13 -1.26 -4.55 120.64 118.84 1bbr n GLU 149 Ca -0.21 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.58 1bbr n GLU 149 Cb 0.56 -3.45 -0.09 0.00 0.27 0.00 0.00 31.44 28.74 1bbr n GLU 149 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1bbr h VAL 150 N 0.00 0.80 -3.52 6.31 2.07 -1.97 -3.45 116.25 116.48 1bbr h VAL 150 Ca 0.00 -2.40 -0.68 0.00 0.82 0.00 0.00 66.70 64.44 1bbr h VAL 150 Cb 0.00 2.30 -0.19 0.00 -1.52 0.00 0.00 31.29 31.88 1bbr h VAL 150 CO 0.00 0.45 -0.68 0.00 0.02 0.00 0.00 177.57 177.37 1bbr s GLN 151 N -2.81 2.97 0.34 1.57 -2.07 -1.26 0.40 119.66 118.80 1bbr s GLN 151 Ca -0.02 -0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 1bbr s GLN 151 Cb 0.08 -2.69 -0.10 0.00 -1.09 0.00 0.00 33.01 29.22 1bbr s GLN 151 CO 0.81 0.59 0.81 -1.25 -1.32 0.00 0.00 175.29 174.93 1bbr s PRO 152 N -0.60 4.15 0.05 9.60 0.04 -1.26 -4.98 135.00 142.00 1bbr s PRO 152 Ca 0.09 0.88 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 1bbr s PRO 152 Cb -0.12 -2.46 -0.29 0.00 0.04 0.00 0.00 34.50 31.67 1bbr s PRO 152 CO 0.02 0.15 1.09 0.66 0.04 0.00 0.00 177.00 178.96 1bbr h SER 153 N 2.40 0.84 -2.60 6.66 4.64 -1.95 -3.42 113.55 120.12 1bbr h SER 153 Ca -0.48 -0.80 -0.61 0.00 -0.47 0.00 0.00 61.79 59.44 1bbr h SER 153 Cb 1.18 -0.27 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 1bbr h SER 153 CO 0.64 1.60 -0.72 0.54 -0.87 0.00 0.00 176.83 178.02 1bbr s VAL 154 N -2.90 2.97 0.51 0.95 0.11 -1.26 0.22 120.40 120.99 1bbr s VAL 154 Ca -0.09 -1.97 -0.23 0.00 -2.93 0.00 0.00 61.98 56.76 1bbr s VAL 154 Cb 0.05 -2.52 -0.07 0.00 -1.53 0.00 0.00 36.38 32.31 1bbr s VAL 154 CO 0.93 -0.26 1.24 -0.11 -3.33 0.00 0.00 175.10 173.58 1bbr n LEU 155 N -0.36 4.55 -4.53 2.54 7.94 -0.57 -4.81 117.00 121.75 1bbr n LEU 155 Ca -0.08 1.00 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 1bbr n LEU 155 Cb 0.58 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 1bbr n LEU 155 CO 0.37 -0.86 -0.44 -1.10 -1.11 0.00 0.00 177.39 174.25 1bbr s GLN 156 N -2.58 1.91 0.07 1.96 -1.52 -1.06 -0.11 119.66 118.33 1bbr s GLN 156 Ca 0.68 -1.42 0.07 0.00 -1.95 0.00 0.00 55.36 52.74 1bbr s GLN 156 Cb -0.45 -2.03 -0.03 0.00 -0.22 0.00 0.00 33.01 30.27 1bbr s GLN 156 CO 0.52 0.40 -0.18 0.08 -0.25 0.00 0.00 175.29 175.87 1bbr s VAL 157 N -1.89 1.44 -0.28 1.09 1.01 0.10 -2.38 120.40 119.49 1bbr s VAL 157 Ca 0.25 -1.31 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1bbr s VAL 157 Cb -0.08 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.08 1bbr s VAL 157 CO 0.14 -0.04 0.73 0.54 0.00 0.00 0.00 175.10 176.48 1bbr s VAL 158 N -1.06 0.00 -0.23 2.92 0.11 -0.80 -0.23 120.40 121.11 1bbr s VAL 158 Ca 0.04 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.00 1bbr s VAL 158 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1bbr s VAL 158 CO 0.03 0.00 0.11 0.20 -3.33 0.00 0.00 175.10 172.11 1bbr s ASN 159 N 1.16 5.70 0.03 3.54 0.01 -1.26 -0.62 114.94 123.49 1bbr s ASN 159 Ca -0.06 0.00 0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1bbr s ASN 159 Cb -0.05 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.58 1bbr s ASN 159 CO -0.12 0.06 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.66 1bbr s LEU 160 N 1.09 2.16 0.37 0.60 1.43 -0.27 -4.94 118.68 119.11 1bbr s LEU 160 Ca 0.06 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1bbr s LEU 160 Cb -0.14 -0.37 -0.10 0.00 0.03 0.00 0.00 46.19 45.61 1bbr s LEU 160 CO 0.04 -0.03 0.99 -2.16 0.23 0.00 0.00 176.35 175.42 1bbr s PRO 161 N -1.01 4.36 0.48 1.29 0.04 -1.26 -0.51 135.00 138.40 1bbr s PRO 161 Ca -0.02 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1bbr s PRO 161 Cb -0.07 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 1bbr s PRO 161 CO 0.01 0.06 1.04 -0.51 0.04 0.00 0.00 177.00 177.63 1bbr s LEU 162 N -2.44 3.85 0.22 -3.56 1.43 0.74 -1.35 118.68 117.57 1bbr s LEU 162 Ca 0.55 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.67 1bbr s LEU 162 Cb -0.19 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 1bbr s LEU 162 CO 0.24 -0.77 -0.04 -0.69 0.23 0.00 0.00 176.35 175.32 1bbr s VAL 163 N -1.97 3.36 0.41 -1.59 1.01 -1.08 -1.45 120.40 119.08 1bbr s VAL 163 Ca 0.67 -1.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 1bbr s VAL 163 Cb -0.16 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1bbr s VAL 163 CO 0.20 -0.23 1.05 -1.83 0.00 0.00 0.00 175.10 174.28 1bbr s GLU 164 N -3.23 4.14 0.14 2.72 1.03 -1.26 -4.72 118.70 117.52 1bbr s GLU 164 Ca 0.28 1.49 -0.26 0.00 0.03 0.00 0.00 54.97 56.52 1bbr s GLU 164 Cb -0.08 -2.50 -0.01 0.00 -0.80 0.00 0.00 34.13 30.74 1bbr s GLU 164 CO 0.18 -0.16 1.60 -0.09 -1.33 0.00 0.00 175.26 175.46 1bbr h ARG 165 N 2.42 -0.36 0.00 -4.83 2.43 -1.98 0.41 114.38 112.46 1bbr h ARG 165 Ca -0.48 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1bbr h ARG 165 Cb 1.21 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1bbr h ARG 165 CO 0.62 -0.24 -0.04 -1.35 -1.51 0.00 0.00 179.97 177.45 1bbr h PRO 166 N -0.38 0.00 0.05 0.20 0.11 -1.98 0.19 132.00 130.19 1bbr h PRO 166 Ca 0.11 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 1bbr h PRO 166 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 1bbr h PRO 166 CO -0.40 0.04 -0.62 0.28 -0.21 0.00 0.00 178.00 177.08 1bbr h VAL 167 N 0.00 1.48 -0.20 3.15 2.07 -1.56 -2.62 116.25 118.57 1bbr h VAL 167 Ca -0.00 -2.23 0.05 0.00 0.82 0.00 0.00 66.70 65.34 1bbr h VAL 167 Cb 0.09 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 1bbr h VAL 167 CO 0.00 0.64 -0.18 0.00 0.02 0.00 0.00 177.57 178.05 1bbr h LYS 169 N -0.19 1.08 -0.01 0.00 3.64 -0.81 -2.71 116.57 117.58 1bbr h LYS 169 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bbr h LYS 169 Cb 0.37 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1bbr h LYS 169 CO -0.32 0.72 -0.09 0.00 -2.27 0.00 0.00 179.45 177.49 1bbr n ALA 170 N -2.36 2.75 1.31 5.00 0.00 -0.99 -3.92 120.51 122.29 1bbr n ALA 170 Ca 0.16 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1bbr n ALA 170 Cb 0.23 -1.32 0.38 0.00 0.00 0.00 0.00 19.45 18.74 1bbr n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bbr n SER 171 N -0.79 1.54 -3.78 0.00 3.41 -1.02 -4.95 113.62 108.04 1bbr n SER 171 Ca 0.16 -1.34 -0.10 0.00 -0.26 0.00 0.00 58.87 57.33 1bbr n SER 171 Cb 0.27 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1bbr n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bbr s THR 172 N -2.22 0.11 -0.68 6.66 -1.32 -1.25 -4.80 115.64 112.12 1bbr s THR 172 Ca 0.30 -0.88 0.23 0.00 -1.21 0.00 0.00 61.69 60.13 1bbr s THR 172 Cb 0.20 -1.15 -0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1bbr s THR 172 CO 0.42 -0.48 1.00 0.54 -2.21 0.00 0.00 174.62 173.89 1bbr n ARG 173 N 0.15 0.23 -2.16 7.08 1.74 -1.26 -4.88 116.66 117.56 1bbr n ARG 173 Ca -0.17 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 1bbr n ARG 173 Cb 0.62 -1.56 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1bbr n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bbr s ILE 174 N -3.16 2.88 -0.95 0.55 1.09 -1.26 -4.93 121.20 115.42 1bbr s ILE 174 Ca 0.04 0.70 -0.24 0.00 -1.10 0.00 0.00 60.65 60.06 1bbr s ILE 174 Cb 0.15 -3.38 0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1bbr s ILE 174 CO 0.81 0.03 1.52 -0.60 -0.10 0.00 0.00 174.94 176.60 1bbr s ARG 175 N -2.55 3.33 0.55 2.79 3.52 -1.26 -5.01 118.95 120.32 1bbr s ARG 175 Ca 0.62 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 55.22 1bbr s ARG 175 Cb -0.32 -5.11 -0.05 0.00 -1.56 0.00 0.00 34.95 27.91 1bbr s ARG 175 CO 0.40 -2.41 1.19 0.42 -0.81 0.00 0.00 175.30 174.09 1bbr s ILE 176 N 6.07 2.79 0.28 4.11 1.09 -1.26 -4.85 121.20 129.42 1bbr s ILE 176 Ca 0.49 0.52 0.04 0.00 -1.10 0.00 0.00 60.65 60.60 1bbr s ILE 176 Cb -0.03 -3.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.09 1bbr s ILE 176 CO -0.04 -0.08 0.02 0.42 -0.10 0.00 0.00 174.94 175.16 1bbr s THR 177 N -1.60 1.20 -0.07 2.92 -4.23 -1.26 -5.02 115.64 107.58 1bbr s THR 177 Ca 0.73 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 59.50 1bbr s THR 177 Cb -0.29 -2.57 0.31 0.00 1.34 0.00 0.00 72.50 71.28 1bbr s THR 177 CO 0.33 -0.17 1.88 0.44 -0.54 0.00 0.00 174.62 176.56 1bbr h ASP 178 N 2.28 0.00 -0.17 3.99 3.32 -2.03 -2.46 116.42 121.35 1bbr h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1bbr h ASP 178 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1bbr h ASP 178 CO 0.67 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.78 1bbr n ASN 179 N -2.57 1.60 -3.84 6.45 3.02 -1.26 -4.83 115.26 113.83 1bbr n ASN 179 Ca -0.00 -2.11 -0.09 0.00 -0.03 0.00 0.00 54.58 52.34 1bbr n ASN 179 Cb 0.16 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1bbr n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bbr s MET 180 N -1.61 0.82 0.14 3.52 0.23 -0.93 -1.58 119.30 119.90 1bbr s MET 180 Ca 0.14 -0.85 -0.06 0.00 -1.03 0.00 0.00 55.69 53.89 1bbr s MET 180 Cb 0.09 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1bbr s MET 180 CO 0.07 -0.26 0.18 -0.59 -2.03 0.00 0.00 175.02 172.39 1bbr s PHE 181 N -3.48 0.56 0.26 3.16 -0.12 -0.99 -4.80 117.98 112.57 1bbr s PHE 181 Ca 0.02 -0.94 0.06 0.00 -0.05 0.00 0.00 56.93 56.01 1bbr s PHE 181 Cb 0.03 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1bbr s PHE 181 CO -0.09 -0.62 -0.04 0.00 -0.05 0.00 0.00 175.22 174.42 1bbr s ALA 183 N -3.13 -1.78 0.00 0.00 0.00 -0.94 -2.64 121.76 113.28 1bbr s ALA 183 Ca 0.29 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1bbr s ALA 183 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1bbr s ALA 183 CO 0.11 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1bbr n GLY 184 N 0.98 0.68 3.84 0.00 0.00 -0.46 -2.67 105.19 107.56 1bbr n GLY 184 Ca -0.18 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1bbr n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bbr s TYR 184 N -1.69 3.49 0.53 1.61 2.02 -1.26 -4.52 117.35 117.53 1bbr s TYR 184 Ca 0.00 1.23 -0.08 0.00 -0.37 0.00 0.00 57.07 57.85 1bbr s TYR 184 Cb 0.00 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 1bbr s TYR 184 CO 0.00 0.22 0.88 0.15 -1.57 0.00 0.00 175.55 175.24 1bbr s LYS 185 N -2.53 3.58 0.19 -0.62 1.02 -1.26 -4.79 119.74 115.33 1bbr s LYS 185 Ca 0.48 0.44 -0.11 0.00 0.02 0.00 0.00 55.97 56.79 1bbr s LYS 185 Cb -0.13 -2.26 0.17 0.00 -0.52 0.00 0.00 37.83 35.09 1bbr s LYS 185 CO 0.19 -0.34 1.82 -1.00 -0.92 0.00 0.00 175.35 175.10 1bbr h PRO 186 N 0.06 0.66 -0.90 -1.68 0.14 -1.95 -2.16 132.00 126.17 1bbr h PRO 186 Ca -0.46 -0.04 0.07 0.00 0.14 0.00 0.00 66.00 65.71 1bbr h PRO 186 Cb 1.20 -0.15 -0.06 0.00 0.14 0.00 0.00 31.00 32.13 1bbr h PRO 186 CO 0.62 0.43 0.59 0.78 0.14 0.00 0.00 178.00 180.56 1bbr h GLY 186 N 0.68 1.32 1.37 1.56 0.00 -1.99 -3.35 103.07 102.66 1bbr h GLY 186 Ca 0.25 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1bbr h GLY 186 CO -0.13 0.30 0.20 1.18 0.00 0.00 0.00 176.54 178.09 1bbr n GLU 186 N -4.49 0.06 -1.11 4.80 1.02 -0.81 -4.91 120.64 115.20 1bbr n GLU 186 Ca 0.14 0.49 -0.04 0.00 -0.02 0.00 0.00 57.16 57.73 1bbr n GLU 186 Cb 0.20 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1bbr n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bbr n GLY 186 N -1.30 0.51 2.98 0.62 0.00 -1.26 -4.97 105.19 101.77 1bbr n GLY 186 Ca -0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1bbr n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 186 N -1.89 0.41 0.46 1.61 1.02 -1.26 -5.17 119.74 114.91 1bbr s LYS 186 Ca 0.00 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.69 1bbr s LYS 186 Cb 0.00 -0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1bbr s LYS 186 CO 0.00 0.08 0.01 1.03 -0.92 0.00 0.00 175.35 175.55 1bbr s ARG 187 N -0.55 2.08 0.00 1.68 0.52 -1.26 -4.70 118.95 116.72 1bbr s ARG 187 Ca -0.02 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 52.93 1bbr s ARG 187 Cb -0.04 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.87 1bbr s ARG 187 CO -0.00 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.51 1bbr n GLY 188 N -1.12 4.79 3.61 -3.53 0.00 -1.26 -4.97 105.19 102.71 1bbr n GLY 188 Ca -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 1bbr n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bbr s ASP 189 N 0.00 -0.07 0.63 1.61 2.15 -0.64 -4.69 116.67 115.67 1bbr s ASP 189 Ca 0.00 -0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.83 1bbr s ASP 189 Cb 0.00 0.09 -0.03 0.00 -0.30 0.00 0.00 42.92 42.68 1bbr s ASP 189 CO 0.00 -0.16 1.04 0.00 -0.17 0.00 0.00 175.17 175.87 1bbr s ALA 190 N -2.26 3.00 0.02 3.66 0.00 -1.26 0.24 121.76 125.16 1bbr s ALA 190 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1bbr s ALA 190 Cb 0.02 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1bbr s ALA 190 CO -0.04 -0.80 0.02 0.00 0.00 0.00 0.00 175.76 174.95 1bbr s GLU 192 N -2.05 4.21 0.00 0.00 -1.05 -1.26 -2.57 118.70 115.97 1bbr s GLU 192 Ca 0.02 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.23 1bbr s GLU 192 Cb -0.00 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 1bbr s GLU 192 CO 0.01 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1bbr n GLY 193 N 3.30 0.84 0.01 -3.83 0.00 -1.26 -0.10 105.19 104.14 1bbr n GLY 193 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1bbr n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bbr n ASP 194 N 0.00 1.19 -4.55 1.61 8.00 -1.06 -3.24 116.55 118.49 1bbr n ASP 194 Ca 0.00 -0.10 -0.45 0.00 0.71 0.00 0.00 54.79 54.95 1bbr n ASP 194 Cb 0.00 1.67 -0.02 0.00 -0.02 0.00 0.00 41.12 42.75 1bbr n ASP 194 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bbr n SER 195 N -1.99 0.79 0.00 -2.24 2.88 -1.26 -0.34 113.62 111.45 1bbr n SER 195 Ca -0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1bbr n SER 195 Cb 0.41 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1bbr n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bbr n GLY 196 N 1.40 2.82 3.45 0.46 0.00 -0.82 -0.96 105.19 111.55 1bbr n GLY 196 Ca 0.11 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1bbr n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbr n GLY 197 N 0.00 -1.66 3.87 -0.02 0.00 0.53 -3.61 105.19 104.30 1bbr n GLY 197 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1bbr n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bbr s PRO 198 N -3.14 3.71 -0.30 1.61 0.04 -1.26 -2.08 135.00 133.58 1bbr s PRO 198 Ca 0.62 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1bbr s PRO 198 Cb -0.29 -2.17 0.09 0.00 0.04 0.00 0.00 34.50 32.17 1bbr s PRO 198 CO 0.61 -0.38 0.06 0.12 0.04 0.00 0.00 177.00 177.45 1bbr s PHE 199 N -2.88 2.26 0.15 0.56 2.19 0.26 -4.13 117.98 116.38 1bbr s PHE 199 Ca 0.55 -1.99 0.09 0.00 0.33 0.00 0.00 56.93 55.91 1bbr s PHE 199 Cb -0.11 -1.94 -0.04 0.00 -1.31 0.00 0.00 43.02 39.62 1bbr s PHE 199 CO 0.44 -0.86 -0.14 0.14 1.83 0.00 0.00 175.22 176.62 1bbr s VAL 200 N 1.43 3.00 -0.06 3.12 -7.23 -0.43 0.51 120.40 120.74 1bbr s VAL 200 Ca 0.07 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1bbr s VAL 200 Cb -0.18 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1bbr s VAL 200 CO -0.17 0.00 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.45 1bbr s MET 201 N -2.46 1.71 -0.54 4.82 -1.94 -0.58 0.18 119.30 120.49 1bbr s MET 201 Ca 0.21 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 53.54 1bbr s MET 201 Cb -0.10 -1.42 0.06 0.00 2.01 0.00 0.00 34.83 35.38 1bbr s MET 201 CO 0.12 0.07 0.75 0.21 -0.01 0.00 0.00 175.02 176.16 1bbr s LYS 202 N 0.54 3.18 0.12 2.03 2.20 -1.26 -1.06 119.74 125.48 1bbr s LYS 202 Ca -0.13 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 1bbr s LYS 202 Cb -0.15 -4.11 -0.10 0.00 -1.51 0.00 0.00 37.83 31.96 1bbr s LYS 202 CO 0.04 -1.37 1.79 0.45 -0.36 0.00 0.00 175.35 175.90 1bbr s SER 203 N 2.88 6.46 -0.15 1.43 0.15 0.13 -4.92 113.70 119.68 1bbr s SER 203 Ca 0.20 2.71 -0.02 0.00 0.70 0.00 0.00 55.95 59.54 1bbr s SER 203 Cb -0.17 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1bbr s SER 203 CO 0.13 -0.98 2.55 -0.81 1.20 0.00 0.00 173.24 175.33 1bbr n PRO 204 N 5.58 1.67 0.00 5.44 -0.04 -1.26 -3.42 135.00 142.97 1bbr n PRO 204 Ca 0.17 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1bbr n PRO 204 Cb 0.38 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1bbr n PRO 204 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bbr n TYR 204 N 1.39 0.00 -3.50 0.54 4.01 -1.26 -4.96 117.16 113.37 1bbr n TYR 204 Ca 0.26 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.58 1bbr n TYR 204 Cb 0.64 0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.61 1bbr n TYR 204 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1bbr s ASN 204 N 0.82 5.98 0.00 7.72 4.22 -1.25 -4.95 114.94 127.48 1bbr s ASN 204 Ca 0.00 -2.43 0.00 0.00 -2.14 0.00 0.00 52.86 48.29 1bbr s ASN 204 Cb 0.00 -2.05 0.00 0.00 1.28 0.00 0.00 41.25 40.48 1bbr s ASN 204 CO 0.00 -0.58 0.00 -3.20 -2.04 0.00 0.00 177.10 171.28 1bbr n ASN 205 N 4.22 0.00 -4.92 3.54 5.15 -1.22 -4.67 115.26 117.36 1bbr n ASN 205 Ca 0.03 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.76 1bbr n ASN 205 Cb 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.64 1bbr n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bbr s ARG 206 N 0.00 3.31 -0.25 1.20 0.52 -1.26 -4.90 118.95 117.57 1bbr s ARG 206 Ca 0.00 -0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 1bbr s ARG 206 Cb 0.00 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 1bbr s ARG 206 CO 0.00 0.49 0.26 -1.58 0.02 0.00 0.00 175.30 174.49 1bbr s TRP 207 N -1.81 3.28 0.23 -0.53 0.52 -1.26 -0.69 118.94 118.68 1bbr s TRP 207 Ca 0.34 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.84 1bbr s TRP 207 Cb -0.10 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 1bbr s TRP 207 CO 0.27 -0.08 0.02 0.71 0.02 0.00 0.00 176.95 177.90 1bbr s TYR 208 N 1.53 2.81 -0.49 -1.98 1.51 -0.22 -2.08 117.35 118.43 1bbr s TYR 208 Ca 0.11 -0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 55.84 1bbr s TYR 208 Cb -0.15 -1.29 0.08 0.00 -0.11 0.00 0.00 41.96 40.49 1bbr s TYR 208 CO 0.08 0.57 0.43 -1.14 -1.11 0.00 0.00 175.55 174.38 1bbr s GLN 209 N -3.42 2.99 0.01 -0.62 0.74 0.73 -1.53 119.66 118.56 1bbr s GLN 209 Ca 0.30 -1.38 0.12 0.00 0.05 0.00 0.00 55.36 54.45 1bbr s GLN 209 Cb -0.08 -4.16 -0.21 0.00 1.10 0.00 0.00 33.01 29.67 1bbr s GLN 209 CO 0.20 -1.09 0.82 0.52 -0.55 0.00 0.00 175.29 175.19 1bbr h MET 210 N 8.79 0.00 -3.49 1.67 2.86 -0.26 -3.39 114.93 121.11 1bbr h MET 210 Ca -0.29 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.27 1bbr h MET 210 Cb 1.11 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 1bbr h MET 210 CO 0.91 0.56 0.03 0.20 1.06 0.00 0.00 176.91 179.67 1bbr s GLY 211 N -4.98 0.65 -0.09 8.32 0.00 0.08 -2.48 107.32 108.83 1bbr s GLY 211 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1bbr s GLY 211 CO 0.82 -0.55 -0.18 -0.42 0.00 0.00 0.00 173.10 172.77 1bbr s ILE 212 N -3.23 1.59 -0.17 0.90 1.01 -0.82 -0.57 121.20 119.90 1bbr s ILE 212 Ca 0.21 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1bbr s ILE 212 Cb -0.03 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.98 1bbr s ILE 212 CO 0.12 0.46 2.12 -0.69 0.00 0.00 0.00 174.94 176.95 1bbr s VAL 213 N 0.59 3.06 -0.02 2.92 1.01 -0.88 -0.34 120.40 126.74 1bbr s VAL 213 Ca -0.15 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1bbr s VAL 213 Cb -0.17 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1bbr s VAL 213 CO 0.05 -0.04 -0.08 -0.24 0.00 0.00 0.00 175.10 174.79 1bbr n SER 214 N 10.59 0.65 -2.00 3.32 2.88 -0.55 -1.95 113.62 126.57 1bbr n SER 214 Ca 0.27 0.10 -0.06 0.00 -1.33 0.00 0.00 58.87 57.85 1bbr n SER 214 Cb 0.44 -0.39 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1bbr n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1bbr n TRP 215 N -3.13 -1.52 -2.34 0.66 4.27 -1.10 -4.92 117.44 109.36 1bbr n TRP 215 Ca -0.03 -1.09 0.00 0.00 -3.89 0.00 0.00 57.50 52.49 1bbr n TRP 215 Cb 0.12 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.51 1bbr n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1bbr n GLY 216 N -0.30 -1.27 3.00 -1.67 0.00 -1.26 0.60 105.19 104.29 1bbr n GLY 216 Ca -0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1bbr n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bbr s GLU 217 N -0.68 1.49 2.40 1.61 2.02 -1.26 -5.00 118.70 119.28 1bbr s GLU 217 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.08 1bbr s GLU 217 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1bbr s GLU 217 CO 0.00 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1bbr n GLY 219 N 4.18 -0.45 2.99 -1.39 0.00 -1.26 -4.77 105.19 104.49 1bbr n GLY 219 Ca 0.04 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1bbr n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbr n ASP 221 N 2.88 -0.40 -4.88 0.00 2.03 -1.26 -4.84 116.55 110.07 1bbr n ASP 221 Ca -0.13 -1.13 -0.34 0.00 0.52 0.00 0.00 54.79 53.70 1bbr n ASP 221 Cb 0.59 -2.32 -0.06 0.00 -0.72 0.00 0.00 41.12 38.61 1bbr n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bbr s ARG 221 N -6.99 3.39 0.30 -0.67 0.52 -1.26 -4.96 118.95 109.27 1bbr s ARG 221 Ca 0.19 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.82 1bbr s ARG 221 Cb -0.10 -3.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.17 1bbr s ARG 221 CO 0.95 0.70 1.50 -0.51 0.02 0.00 0.00 175.30 177.96 1bbr s ASP 222 N -1.61 6.50 0.00 0.23 1.01 -1.26 -2.03 116.67 119.50 1bbr s ASP 222 Ca 0.23 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.34 1bbr s ASP 222 Cb -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1bbr s ASP 222 CO 0.13 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1bbr n GLY 223 N 1.77 1.48 3.41 0.21 0.00 -1.26 -5.00 105.19 105.80 1bbr n GLY 223 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1bbr n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 224 N -0.04 1.94 0.13 1.61 -0.14 -0.86 -4.74 119.74 117.64 1bbr s LYS 224 Ca 0.00 -1.05 0.09 0.00 -1.36 0.00 0.00 55.97 53.65 1bbr s LYS 224 Cb 0.00 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1bbr s LYS 224 CO 0.00 0.52 -0.22 0.71 -0.76 0.00 0.00 175.35 175.60 1bbr s TYR 225 N -0.89 1.97 0.38 3.18 2.02 -1.26 -4.55 117.35 118.20 1bbr s TYR 225 Ca 0.14 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.21 1bbr s TYR 225 Cb -0.10 -1.04 -0.10 0.00 -0.40 0.00 0.00 41.96 40.31 1bbr s TYR 225 CO 0.04 0.30 0.91 0.20 -1.57 0.00 0.00 175.55 175.43 1bbr s GLY 226 N -2.21 2.49 0.05 0.71 0.00 -1.09 -4.60 107.32 102.67 1bbr s GLY 226 Ca 0.12 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.26 1bbr s GLY 226 CO 0.06 0.68 -0.10 -1.36 0.00 0.00 0.00 173.10 172.38 1bbr s PHE 227 N -1.98 2.76 -0.02 1.90 0.40 0.20 -2.21 117.98 119.03 1bbr s PHE 227 Ca 0.57 -0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.77 1bbr s PHE 227 Cb -0.12 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.92 1bbr s PHE 227 CO 0.17 0.36 0.03 0.71 0.70 0.00 0.00 175.22 177.18 1bbr s TYR 228 N -1.06 0.01 0.34 0.36 1.51 -0.95 -1.48 117.35 116.08 1bbr s TYR 228 Ca 0.18 0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 56.06 1bbr s TYR 228 Cb -0.11 -0.14 -0.11 0.00 -0.11 0.00 0.00 41.96 41.50 1bbr s TYR 228 CO 0.09 -0.06 1.39 0.99 -1.11 0.00 0.00 175.55 176.85 1bbr s THR 229 N 0.67 2.48 -1.05 -0.71 2.01 0.54 -2.36 115.64 117.21 1bbr s THR 229 Ca -0.05 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.21 1bbr s THR 229 Cb -0.08 -3.30 0.08 0.00 0.01 0.00 0.00 72.50 69.21 1bbr s THR 229 CO -0.02 0.11 1.41 -2.28 -0.69 0.00 0.00 174.62 173.15 1bbr s HIS 230 N -1.00 2.79 0.20 4.92 2.46 -0.61 -1.94 115.29 122.11 1bbr s HIS 230 Ca 0.51 -1.20 -0.14 0.00 0.47 0.00 0.00 55.06 54.71 1bbr s HIS 230 Cb -0.42 -4.57 0.20 0.00 -0.13 0.00 0.00 32.58 27.65 1bbr s HIS 230 CO 0.55 -1.76 1.65 0.28 -2.47 0.00 0.00 174.74 172.99 1bbr h VAL 231 N 6.20 0.48 -0.61 0.89 2.07 -1.79 0.78 116.25 124.28 1bbr h VAL 231 Ca 0.24 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1bbr h VAL 231 Cb 0.98 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1bbr h VAL 231 CO 1.34 0.01 0.41 0.15 0.02 0.00 0.00 177.57 179.49 1bbr h PHE 232 N 0.03 0.48 0.00 1.57 3.57 -1.85 -0.43 116.94 120.31 1bbr h PHE 232 Ca 0.27 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1bbr h PHE 232 Cb 0.42 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1bbr h PHE 232 CO -0.42 0.23 -0.28 0.00 -2.23 0.00 0.00 178.31 175.61 1bbr h ARG 233 N 0.46 0.00 -0.03 1.11 2.47 -1.21 -3.17 114.38 114.00 1bbr h ARG 233 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1bbr h ARG 233 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1bbr h ARG 233 CO -0.08 0.28 -0.08 1.28 0.56 0.00 0.00 179.97 181.94 1bbr n LEU 234 N -3.41 2.83 -0.24 3.04 4.77 -0.27 -4.67 117.00 119.04 1bbr n LEU 234 Ca 0.00 -0.96 0.04 0.00 -0.03 0.00 0.00 56.01 55.06 1bbr n LEU 234 Cb 0.47 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.71 1bbr n LEU 234 CO 0.35 0.48 0.83 0.50 -1.33 0.00 0.00 177.39 178.21 1bbr h LYS 235 N 4.30 0.11 0.00 3.23 3.64 -1.27 0.20 116.57 126.79 1bbr h LYS 235 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bbr h LYS 235 Cb 0.95 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1bbr h LYS 235 CO 0.00 0.07 0.00 0.87 -2.27 0.00 0.00 179.45 178.12 1bbr h LYS 236 N 0.11 0.00 0.09 1.90 6.56 -1.84 0.59 116.57 123.98 1bbr h LYS 236 Ca 0.39 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.63 1bbr h LYS 236 Cb 0.67 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 1bbr h LYS 236 CO -0.62 0.00 -1.92 1.87 -2.06 0.00 0.00 179.45 176.71 1bbr n TRP 237 N -2.63 1.17 0.16 -1.35 -0.00 0.63 -2.59 117.44 112.82 1bbr n TRP 237 Ca -0.01 0.29 -0.14 0.00 -0.00 0.00 0.00 57.50 57.64 1bbr n TRP 237 Cb 0.09 -1.17 -0.07 0.00 -0.00 0.00 0.00 31.31 30.17 1bbr n TRP 237 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1bbr h ILE 238 N 0.05 0.53 -0.01 5.87 2.04 -0.05 -2.28 117.51 123.67 1bbr h ILE 238 Ca -0.39 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1bbr h ILE 238 Cb 2.03 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 1bbr h ILE 238 CO 0.08 0.00 -0.33 1.56 0.00 0.00 0.00 178.15 179.46 1bbr h GLN 239 N -0.47 -0.46 0.00 2.37 4.20 -0.07 -2.53 115.11 118.15 1bbr h GLN 239 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1bbr h GLN 239 Cb 0.44 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1bbr h GLN 239 CO -0.05 -0.31 0.00 -0.22 -0.67 0.00 0.00 178.83 177.59 1bbr h LYS 240 N -0.48 0.00 0.00 1.46 3.64 0.49 0.13 116.57 121.81 1bbr h LYS 240 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bbr h LYS 240 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1bbr h LYS 240 CO -0.28 0.00 -1.86 1.33 -2.27 0.00 0.00 179.45 176.37 1bbr n VAL 241 N -2.55 0.08 0.03 2.00 0.24 -0.87 -3.29 118.33 113.97 1bbr n VAL 241 Ca -0.01 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.78 1bbr n VAL 241 Cb 0.11 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.37 1bbr n VAL 241 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1bbr h ILE 242 N 0.00 0.61 0.00 1.34 2.04 -1.01 -3.45 117.51 117.04 1bbr h ILE 242 Ca 0.00 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1bbr h ILE 242 Cb 0.99 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1bbr h ILE 242 CO 0.00 0.35 0.00 0.47 0.00 0.00 0.00 178.15 178.97 1bbr n ASP 243 N -2.95 0.00 0.00 1.72 9.92 0.40 -5.08 116.55 120.56 1bbr n ASP 243 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1bbr n ASP 243 Cb 0.87 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 1bbr n ASP 243 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1bbr n ARG 244 N 0.00 0.00 0.00 -1.24 3.00 -1.25 -5.06 116.66 112.11 1bbr n ARG 244 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1bbr n ARG 244 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 32.46 32.20 1bbr n ARG 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1bbr n LEU 245 N -1.17 0.00 0.00 0.55 -0.00 -1.21 -4.94 117.00 110.24 1bbr n LEU 245 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1bbr n LEU 245 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1bbr n LEU 245 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1bbr n GLY 246 N 0.00 0.17 0.00 -3.96 0.00 -1.26 -4.96 105.19 95.18 1bbr n GLY 246 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1bbr n GLY 246 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18