#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnr s VAL 3 N 0.00 4.39 -0.17 1.61 1.01 -1.26 -3.08 120.40 122.90 2bnr s VAL 3 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2bnr s VAL 3 Cb 0.00 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.44 2bnr s VAL 3 CO 0.00 0.46 -0.10 0.42 0.00 0.00 0.00 175.10 175.87 2bnr s THR 4 N 0.54 1.44 0.11 3.92 -4.23 0.53 -4.57 115.64 113.39 2bnr s THR 4 Ca 0.01 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.90 2bnr s THR 4 Cb -0.13 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 2bnr s THR 4 CO 0.02 0.28 -0.26 0.00 -0.54 0.00 0.00 174.62 174.11 2bnr s GLN 5 N 1.51 1.51 0.05 3.99 -2.07 -1.26 -1.44 119.66 121.95 2bnr s GLN 5 Ca 0.02 -1.29 -0.10 0.00 -1.82 0.00 0.00 55.36 52.17 2bnr s GLN 5 Cb -0.14 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 2bnr s GLN 5 CO -0.09 0.47 0.21 0.95 -1.32 0.00 0.00 175.29 175.50 2bnr s THR 6 N -1.01 0.11 0.71 3.63 -4.23 -0.56 -4.61 115.64 109.68 2bnr s THR 6 Ca 0.14 -0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 59.63 2bnr s THR 6 Cb -0.10 -1.01 0.05 0.00 1.34 0.00 0.00 72.50 72.78 2bnr s THR 6 CO 0.05 -0.51 1.04 -2.16 -0.54 0.00 0.00 174.62 172.50 2bnr s PRO 7 N -2.85 2.34 0.13 3.99 0.04 -1.26 -0.06 135.00 137.33 2bnr s PRO 7 Ca -0.03 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 60.98 2bnr s PRO 7 Cb 0.00 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2bnr s PRO 7 CO -0.05 -1.20 1.30 -0.22 0.04 0.00 0.00 177.00 176.86 2bnr h LYS 8 N -0.64 0.18 -3.85 4.56 3.64 -1.83 -3.41 116.57 115.22 2bnr h LYS 8 Ca -0.45 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 58.49 2bnr h LYS 8 Cb 1.30 0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 32.95 2bnr h LYS 8 CO 0.62 1.03 -0.71 -0.06 -2.27 0.00 0.00 179.45 178.06 2bnr s PHE 9 N -2.97 0.13 -0.23 1.91 0.08 -1.26 -0.74 117.98 114.90 2bnr s PHE 9 Ca -0.02 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.59 2bnr s PHE 9 Cb 0.09 -0.09 0.07 0.00 -0.57 0.00 0.00 43.02 42.51 2bnr s PHE 9 CO 0.84 -0.09 0.60 -1.14 -0.10 0.00 0.00 175.22 175.33 2bnr s GLN 10 N -0.72 0.66 -0.11 0.44 2.00 -0.04 -4.93 119.66 116.97 2bnr s GLN 10 Ca -0.08 0.95 -0.01 0.00 -2.00 0.00 0.00 55.36 54.22 2bnr s GLN 10 Cb -0.05 0.23 -0.03 0.00 0.80 0.00 0.00 33.01 33.97 2bnr s GLN 10 CO -0.00 -0.11 -0.07 0.08 -0.50 0.00 0.00 175.29 174.68 2bnr s VAL 11 N 0.86 3.62 0.06 1.34 1.01 -1.26 -1.50 120.40 124.54 2bnr s VAL 11 Ca -0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2bnr s VAL 11 Cb -0.05 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2bnr s VAL 11 CO -0.07 0.55 -0.08 -0.76 0.00 0.00 0.00 175.10 174.75 2bnr s LEU 12 N -0.24 2.35 -0.05 3.92 1.43 0.17 -4.97 118.68 121.29 2bnr s LEU 12 Ca 0.03 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 2bnr s LEU 12 Cb -0.13 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 2bnr s LEU 12 CO 0.03 -0.30 0.14 -0.75 0.23 0.00 0.00 176.35 175.70 2bnr s LYS 13 N -2.42 3.35 0.16 1.70 2.20 -1.26 0.20 119.74 123.67 2bnr s LYS 13 Ca -0.02 -0.29 -0.33 0.00 -0.36 0.00 0.00 55.97 54.98 2bnr s LYS 13 Cb -0.04 -3.07 -0.16 0.00 -1.51 0.00 0.00 37.83 33.04 2bnr s LYS 13 CO -0.01 0.71 1.12 2.41 -0.36 0.00 0.00 175.35 179.22 2bnr n THR 14 N 1.41 0.87 0.00 3.43 -1.04 0.28 -1.42 114.28 117.80 2bnr n THR 14 Ca -0.15 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2bnr n THR 14 Cb 0.53 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2bnr n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnr n GLY 15 N 1.98 3.19 3.80 3.41 0.00 0.73 -4.94 105.19 113.37 2bnr n GLY 15 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2bnr n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bnr s GLN 16 N -0.84 3.77 0.29 1.61 -0.21 -0.51 -4.35 119.66 119.43 2bnr s GLN 16 Ca 0.00 1.36 0.03 0.00 0.02 0.00 0.00 55.36 56.77 2bnr s GLN 16 Cb 0.00 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 2bnr s GLN 16 CO 0.00 -0.45 0.45 -1.54 -2.12 0.00 0.00 175.29 171.62 2bnr s SER 17 N -2.02 6.27 -0.08 5.90 1.04 -1.25 -0.10 113.70 123.47 2bnr s SER 17 Ca 0.67 0.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.00 2bnr s SER 17 Cb -0.16 -1.87 0.11 0.00 0.10 0.00 0.00 66.02 64.19 2bnr s SER 17 CO 0.21 -0.20 0.89 -0.32 0.98 0.00 0.00 173.24 174.80 2bnr s MET 18 N -4.13 0.78 -0.06 4.02 1.75 -0.06 -4.96 119.30 116.63 2bnr s MET 18 Ca 0.37 0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.83 2bnr s MET 18 Cb -0.09 0.36 0.02 0.00 2.84 0.00 0.00 34.83 37.96 2bnr s MET 18 CO 0.32 -0.28 -0.05 0.95 -0.65 0.00 0.00 175.02 175.31 2bnr s THR 19 N -1.81 0.62 -0.02 10.11 -4.23 -1.26 0.45 115.64 119.49 2bnr s THR 19 Ca -0.02 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.21 2bnr s THR 19 Cb -0.01 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2bnr s THR 19 CO -0.00 0.26 0.43 -0.76 -0.54 0.00 0.00 174.62 174.01 2bnr s LEU 20 N 1.18 4.43 -0.06 4.79 1.43 0.18 -4.77 118.68 125.87 2bnr s LEU 20 Ca -0.07 0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 53.93 2bnr s LEU 20 Cb -0.14 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2bnr s LEU 20 CO -0.01 0.25 0.14 -1.10 0.23 0.00 0.00 176.35 175.85 2bnr s GLN 21 N -0.67 3.35 -0.04 1.70 -1.52 0.91 -1.04 119.66 122.33 2bnr s GLN 21 Ca 0.24 -0.28 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 2bnr s GLN 21 Cb -0.16 -3.07 0.03 0.00 -0.22 0.00 0.00 33.01 29.58 2bnr s GLN 21 CO 0.13 0.71 0.04 0.00 -0.25 0.00 0.00 175.29 175.93 2bnr s ALA 23 N 2.00 0.86 0.01 0.00 0.00 -0.52 -1.89 121.76 122.22 2bnr s ALA 23 Ca 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2bnr s ALA 23 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2bnr s ALA 23 CO -0.03 0.19 -0.06 -1.14 0.00 0.00 0.00 175.76 174.72 2bnr s GLN 24 N -0.47 0.43 -0.19 0.00 -0.44 -0.64 -0.34 119.66 118.00 2bnr s GLN 24 Ca 0.03 -0.40 0.15 0.00 -2.50 0.00 0.00 55.36 52.64 2bnr s GLN 24 Cb -0.05 -0.32 0.44 0.00 -1.64 0.00 0.00 33.01 31.44 2bnr s GLN 24 CO -0.00 0.07 1.32 -0.40 0.50 0.00 0.00 175.29 176.79 2bnr n ASP 25 N 2.37 2.87 -1.14 6.67 5.75 -1.18 -4.54 116.55 127.34 2bnr n ASP 25 Ca -0.17 -3.30 0.10 0.00 -0.01 0.00 0.00 54.79 51.41 2bnr n ASP 25 Cb 0.57 -0.53 0.26 0.00 -1.03 0.00 0.00 41.12 40.39 2bnr n ASP 25 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2bnr n MET 26 N -1.00 2.68 -3.33 0.11 2.81 -1.26 -4.88 117.12 112.24 2bnr n MET 26 Ca 0.22 -2.44 -0.24 0.00 -1.81 0.00 0.00 57.70 53.44 2bnr n MET 26 Cb 0.82 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.90 2bnr n MET 26 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2bnr n ASN 27 N 1.35 -6.05 -4.73 7.83 3.02 -1.26 -4.95 115.26 110.47 2bnr n ASN 27 Ca 0.20 -0.43 -0.42 0.00 -0.03 0.00 0.00 54.58 53.91 2bnr n ASN 27 Cb 0.57 -4.83 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 2bnr n ASN 27 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bnr s HIS 28 N -3.23 3.48 0.08 3.10 3.76 -1.26 -4.93 115.29 116.28 2bnr s HIS 28 Ca 0.45 1.42 0.04 0.00 -0.15 0.00 0.00 55.06 56.82 2bnr s HIS 28 Cb -0.20 -3.38 -0.24 0.00 1.11 0.00 0.00 32.58 29.87 2bnr s HIS 28 CO 0.56 -1.05 1.15 0.93 -0.85 0.00 0.00 174.74 175.47 2bnr h GLU 29 N 5.94 0.09 -5.29 1.40 3.07 -1.82 -3.45 114.58 114.51 2bnr h GLU 29 Ca -0.43 -0.15 -0.61 0.00 -0.50 0.00 0.00 59.36 57.68 2bnr h GLU 29 Cb 1.21 0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 29.06 2bnr h GLU 29 CO 0.77 1.01 -0.39 -0.47 -1.40 0.00 0.00 179.01 178.54 2bnr s TYR 30 N -2.68 3.38 0.04 4.33 6.14 -0.36 -2.58 117.35 125.63 2bnr s TYR 30 Ca -0.02 0.42 0.02 0.00 0.64 0.00 0.00 57.07 58.14 2bnr s TYR 30 Cb 0.09 -2.33 -0.02 0.00 0.42 0.00 0.00 41.96 40.11 2bnr s TYR 30 CO 0.84 0.12 -0.07 -1.64 0.64 0.00 0.00 175.55 175.44 2bnr s MET 31 N 0.88 0.52 0.16 4.97 -1.94 -0.60 -0.62 119.30 122.67 2bnr s MET 31 Ca 0.12 -0.77 -0.19 0.00 -1.71 0.00 0.00 55.69 53.15 2bnr s MET 31 Cb -0.13 -0.25 0.04 0.00 2.01 0.00 0.00 34.83 36.50 2bnr s MET 31 CO 0.04 0.04 0.52 -1.54 -0.01 0.00 0.00 175.02 174.07 2bnr s SER 32 N -1.63 -0.36 -0.03 3.03 1.04 0.30 -1.10 113.70 114.95 2bnr s SER 32 Ca -0.10 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2bnr s SER 32 Cb -0.09 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 2bnr s SER 32 CO 0.00 -0.97 -0.21 0.26 0.98 0.00 0.00 173.24 173.29 2bnr s TRP 33 N -3.81 1.98 0.21 5.02 0.52 -0.78 -0.66 118.94 121.42 2bnr s TRP 33 Ca 0.04 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.77 2bnr s TRP 33 Cb -0.00 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 2bnr s TRP 33 CO -0.09 -0.10 -0.12 0.71 0.02 0.00 0.00 176.95 177.38 2bnr s TYR 34 N -0.31 1.66 0.01 -1.98 1.51 0.82 -0.76 117.35 118.30 2bnr s TYR 34 Ca 0.03 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 2bnr s TYR 34 Cb -0.10 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2bnr s TYR 34 CO 0.01 0.27 -0.15 -0.98 -1.11 0.00 0.00 175.55 173.59 2bnr s ARG 35 N -3.69 1.09 -0.08 -0.62 1.70 -0.82 -1.09 118.95 115.45 2bnr s ARG 35 Ca 0.23 -0.66 0.03 0.00 -0.47 0.00 0.00 55.73 54.86 2bnr s ARG 35 Cb 0.01 -1.09 0.01 0.00 -0.57 0.00 0.00 34.95 33.31 2bnr s ARG 35 CO 0.07 0.29 -0.16 -1.14 -1.08 0.00 0.00 175.30 173.27 2bnr s GLN 36 N -0.75 2.10 0.03 3.89 0.74 0.01 -1.50 119.66 124.19 2bnr s GLN 36 Ca 0.04 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.91 2bnr s GLN 36 Cb -0.07 -1.68 -0.02 0.00 1.10 0.00 0.00 33.01 32.34 2bnr s GLN 36 CO 0.00 0.06 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.24 2bnr s ASP 37 N 0.59 0.62 0.14 6.67 1.11 -1.18 -3.45 116.67 121.17 2bnr s ASP 37 Ca -0.15 -0.45 -0.35 0.00 0.18 0.00 0.00 52.55 51.78 2bnr s ASP 37 Cb -0.16 0.04 -0.16 0.00 1.07 0.00 0.00 42.92 43.71 2bnr s ASP 37 CO 0.05 -0.18 1.35 -2.65 1.18 0.00 0.00 175.17 174.91 2bnr n PRO 38 N 1.77 1.42 -0.92 8.23 -0.02 -1.26 -0.43 135.00 143.78 2bnr n PRO 38 Ca -0.21 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2bnr n PRO 38 Cb 0.55 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2bnr n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bnr n GLY 39 N 2.53 0.22 0.00 -1.23 0.00 -1.26 -4.76 105.19 100.69 2bnr n GLY 39 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bnr n GLY 39 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2bnr n MET 40 N -0.80 2.51 0.00 1.61 0.00 0.42 -5.13 117.12 115.73 2bnr n MET 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2bnr n MET 40 Cb 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 33.22 32.65 2bnr n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2bnr n GLY 41 N 1.94 -0.50 3.65 -5.12 0.00 -1.00 -4.64 105.19 99.52 2bnr n GLY 41 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2bnr n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnr s LEU 42 N 0.00 4.12 -0.15 0.99 1.43 -1.26 -3.08 118.68 120.73 2bnr s LEU 42 Ca 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2bnr s LEU 42 Cb 0.00 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 2bnr s LEU 42 CO 0.00 -0.33 -0.16 -0.13 0.23 0.00 0.00 176.35 175.96 2bnr s ARG 43 N 2.17 3.22 0.11 1.70 0.52 -0.56 -4.97 118.95 121.15 2bnr s ARG 43 Ca 0.30 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 2bnr s ARG 43 Cb -0.16 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.64 2bnr s ARG 43 CO 0.10 0.05 1.22 -1.17 0.02 0.00 0.00 175.30 175.52 2bnr s LEU 44 N 0.72 4.40 -0.18 2.53 2.96 -1.26 -1.95 118.68 125.90 2bnr s LEU 44 Ca -0.07 2.13 -0.15 0.00 -0.22 0.00 0.00 54.13 55.82 2bnr s LEU 44 Cb -0.16 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 2bnr s LEU 44 CO 0.01 -0.45 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.97 2bnr n ILE 45 N 3.39 1.48 -3.80 6.68 5.41 0.06 0.09 119.36 132.67 2bnr n ILE 45 Ca 0.07 0.08 -0.09 0.00 1.00 0.00 0.00 62.75 63.81 2bnr n ILE 45 Cb 0.45 -2.27 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 2bnr n ILE 45 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2bnr s HIS 46 N -2.59 0.06 0.27 1.39 3.76 -1.24 -0.26 115.29 116.70 2bnr s HIS 46 Ca -0.26 -0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 54.13 2bnr s HIS 46 Cb 0.05 0.08 -0.00 0.00 1.11 0.00 0.00 32.58 33.82 2bnr s HIS 46 CO 0.38 -0.66 0.45 1.52 -0.85 0.00 0.00 174.74 175.59 2bnr s TYR 47 N -3.86 0.63 -0.23 1.40 1.13 -0.25 -1.87 117.35 114.30 2bnr s TYR 47 Ca 0.07 -0.95 -0.16 0.00 -1.41 0.00 0.00 57.07 54.61 2bnr s TYR 47 Cb 0.03 0.06 0.06 0.00 -1.10 0.00 0.00 41.96 41.02 2bnr s TYR 47 CO -0.09 -1.02 0.58 0.45 -2.51 0.00 0.00 175.55 172.96 2bnr s SER 48 N -3.10 -0.69 0.00 -0.18 0.15 -0.26 -0.11 113.70 109.51 2bnr s SER 48 Ca 0.26 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.35 2bnr s SER 48 Cb 0.00 1.15 0.53 0.00 -1.71 0.00 0.00 66.02 65.99 2bnr s SER 48 CO 0.13 -0.21 1.46 1.33 1.20 0.00 0.00 173.24 177.15 2bnr n VAL 49 N 3.60 0.69 0.00 4.45 0.24 -1.26 -1.56 118.33 124.49 2bnr n VAL 49 Ca -0.18 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2bnr n VAL 49 Cb 0.57 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 2bnr n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bnr n GLY 50 N 1.56 0.77 3.77 7.63 0.00 -1.07 -4.45 105.19 113.41 2bnr n GLY 50 Ca 0.21 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2bnr n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnr n ALA 51 N -0.79 2.30 -1.04 4.61 0.00 -1.26 -2.45 120.51 121.87 2bnr n ALA 51 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.76 2bnr n ALA 51 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.03 2bnr n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnr n GLY 52 N 0.47 0.52 3.26 0.00 0.00 0.95 -5.02 105.19 105.37 2bnr n GLY 52 Ca 0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2bnr n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bnr s ILE 53 N -1.99 -0.02 0.03 -0.61 1.09 -1.03 -5.06 121.20 113.62 2bnr s ILE 53 Ca 0.00 0.06 -0.07 0.00 -1.10 0.00 0.00 60.65 59.53 2bnr s ILE 53 Cb 0.00 -0.57 -0.00 0.00 -1.06 0.00 0.00 42.46 40.83 2bnr s ILE 53 CO 0.00 0.02 0.14 0.42 -0.10 0.00 0.00 174.94 175.42 2bnr s THR 54 N 0.87 0.11 0.03 2.92 -4.23 -1.26 -4.21 115.64 109.88 2bnr s THR 54 Ca -0.05 -0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2bnr s THR 54 Cb -0.06 -0.74 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 2bnr s THR 54 CO -0.07 -0.49 -0.03 -1.81 -0.54 0.00 0.00 174.62 171.68 2bnr s ASP 55 N -1.85 0.36 0.48 3.99 1.11 0.85 -4.97 116.67 116.62 2bnr s ASP 55 Ca -0.08 -0.68 -0.21 0.00 0.18 0.00 0.00 52.55 51.76 2bnr s ASP 55 Cb -0.03 0.13 -0.08 0.00 1.07 0.00 0.00 42.92 44.01 2bnr s ASP 55 CO -0.02 -0.40 1.09 -1.10 1.18 0.00 0.00 175.17 175.92 2bnr s GLN 56 N -2.32 3.74 0.00 8.23 -0.21 -1.26 -1.08 119.66 126.75 2bnr s GLN 56 Ca -0.08 1.55 0.00 0.00 0.02 0.00 0.00 55.36 56.86 2bnr s GLN 56 Cb -0.04 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2bnr s GLN 56 CO -0.04 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.02 2bnr n GLY 57 N 0.13 2.15 0.14 3.09 0.00 0.64 -4.77 105.19 106.59 2bnr n GLY 57 Ca 0.09 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 2bnr n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bnr h GLU 58 N 0.00 0.48 -2.17 1.61 4.81 -0.55 -3.40 114.58 115.37 2bnr h GLU 58 Ca 0.00 -0.74 -0.56 0.00 -0.13 0.00 0.00 59.36 57.93 2bnr h GLU 58 Cb 0.00 0.26 -0.41 0.00 0.63 0.00 0.00 28.75 29.23 2bnr h GLU 58 CO 0.00 1.34 -0.81 1.33 -0.73 0.00 0.00 179.01 180.14 2bnr n VAL 59 N -3.69 1.74 0.17 0.32 0.24 -0.63 -4.92 118.33 111.57 2bnr n VAL 59 Ca -0.13 -5.10 0.03 0.00 -2.04 0.00 0.00 64.34 57.10 2bnr n VAL 59 Cb 1.03 -1.35 0.31 0.00 -1.47 0.00 0.00 33.84 32.36 2bnr n VAL 59 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2bnr h PRO 60 N 3.36 0.00 -6.24 7.34 0.13 -1.78 -3.43 132.00 131.38 2bnr h PRO 60 Ca 0.13 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.58 2bnr h PRO 60 Cb 0.69 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.85 2bnr h PRO 60 CO 0.71 0.44 0.82 0.09 -0.23 0.00 0.00 178.00 179.83 2bnr n ASN 61 N -3.82 2.51 0.00 1.44 5.03 -1.26 -1.46 115.26 117.70 2bnr n ASN 61 Ca -0.01 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.50 2bnr n ASN 61 Cb 0.49 -1.23 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 2bnr n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bnr n GLY 62 N 3.75 0.74 3.21 7.41 0.00 -1.26 -5.06 105.19 113.99 2bnr n GLY 62 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 2bnr n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bnr s TYR 63 N -2.69 1.52 -0.00 1.61 2.02 -0.54 -4.35 117.35 114.93 2bnr s TYR 63 Ca 0.00 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 2bnr s TYR 63 Cb 0.00 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 2bnr s TYR 63 CO 0.00 0.10 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.21 2bnr s ASN 64 N -1.46 0.83 0.28 2.29 -0.87 -0.33 -4.98 114.94 110.69 2bnr s ASN 64 Ca 0.04 -0.15 0.02 0.00 -1.57 0.00 0.00 52.86 51.20 2bnr s ASN 64 Cb -0.09 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.25 41.00 2bnr s ASN 64 CO 0.02 0.07 0.08 0.68 -2.57 0.00 0.00 177.10 175.38 2bnr s VAL 65 N -0.22 0.80 -0.02 1.60 -7.23 -1.26 0.01 120.40 114.09 2bnr s VAL 65 Ca 0.02 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 2bnr s VAL 65 Cb -0.03 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.30 2bnr s VAL 65 CO -0.00 -0.03 0.52 -0.94 -0.31 0.00 0.00 175.10 174.33 2bnr s SER 66 N -3.37 -0.45 -0.46 4.85 1.04 -1.24 -5.03 113.70 109.04 2bnr s SER 66 Ca 0.37 0.38 0.04 0.00 0.48 0.00 0.00 55.95 57.22 2bnr s SER 66 Cb 0.08 0.45 0.17 0.00 0.10 0.00 0.00 66.02 66.82 2bnr s SER 66 CO 0.14 -0.58 0.36 -0.60 0.98 0.00 0.00 173.24 173.54 2bnr s ARG 67 N -1.51 1.17 0.15 4.02 6.06 -1.26 -3.99 118.95 123.58 2bnr s ARG 67 Ca -0.11 -2.29 0.15 0.00 -2.50 0.00 0.00 55.73 50.99 2bnr s ARG 67 Cb -0.02 -1.78 -0.07 0.00 0.06 0.00 0.00 34.95 33.14 2bnr s ARG 67 CO 0.06 -1.36 1.09 0.66 -2.50 0.00 0.00 175.30 173.25 2bnr h SER 68 N 5.68 0.00 -3.34 -2.12 4.64 -1.93 0.27 113.55 116.75 2bnr h SER 68 Ca 0.23 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.09 2bnr h SER 68 Cb 0.89 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.84 2bnr h SER 68 CO 0.43 0.59 -0.61 0.42 -0.87 0.00 0.00 176.83 176.79 2bnr s THR 69 N -2.91 1.16 0.09 2.95 -4.23 -1.26 -4.74 115.64 106.69 2bnr s THR 69 Ca -0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.35 2bnr s THR 69 Cb 0.08 -2.76 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 2bnr s THR 69 CO 0.79 -0.02 1.38 0.74 -0.54 0.00 0.00 174.62 176.97 2bnr h THR 70 N 2.15 1.31 -0.01 3.99 2.02 -1.94 -3.34 112.91 117.08 2bnr h THR 70 Ca -0.41 -1.54 -0.16 0.00 0.77 0.00 0.00 66.41 65.08 2bnr h THR 70 Cb 1.24 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 2bnr h THR 70 CO 0.69 0.48 -0.73 -0.33 0.37 0.00 0.00 175.52 176.01 2bnr h GLU 71 N 0.39 0.05 -6.35 6.66 3.07 -1.90 -3.45 114.58 113.04 2bnr h GLU 71 Ca 0.03 -0.05 -0.68 0.00 -0.50 0.00 0.00 59.36 58.16 2bnr h GLU 71 Cb 0.93 0.01 -0.20 0.00 -0.84 0.00 0.00 28.75 28.65 2bnr h GLU 71 CO 0.08 0.75 -0.74 -0.51 -1.40 0.00 0.00 179.01 177.19 2bnr s ASP 72 N -6.84 4.29 -0.43 1.42 1.01 -1.26 -1.62 116.67 113.25 2bnr s ASP 72 Ca -0.01 -0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.09 2bnr s ASP 72 Cb 0.12 -0.92 0.20 0.00 1.01 0.00 0.00 42.92 43.33 2bnr s ASP 72 CO 0.79 0.30 0.50 0.33 0.21 0.00 0.00 175.17 177.30 2bnr n PHE 73 N 1.78 -1.43 -2.19 4.23 7.35 -0.79 -4.51 117.46 121.90 2bnr n PHE 73 Ca -0.16 -2.94 -0.41 0.00 -0.76 0.00 0.00 57.45 53.18 2bnr n PHE 73 Cb 0.52 0.39 -0.03 0.00 0.35 0.00 0.00 39.48 40.72 2bnr n PHE 73 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2bnr s PRO 74 N -0.13 4.40 -0.21 -7.13 0.02 -1.26 -4.18 135.00 126.51 2bnr s PRO 74 Ca 0.33 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.42 2bnr s PRO 74 Cb 0.09 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 2bnr s PRO 74 CO -0.16 -0.14 0.01 -1.17 -0.33 0.00 0.00 177.00 175.21 2bnr s LEU 75 N -1.38 3.26 -0.07 -5.54 2.96 -0.21 -3.68 118.68 114.02 2bnr s LEU 75 Ca 0.50 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2bnr s LEU 75 Cb -0.38 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2bnr s LEU 75 CO 0.48 0.04 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.79 2bnr s ARG 76 N 1.17 2.78 -0.39 1.98 3.52 0.10 0.52 118.95 128.63 2bnr s ARG 76 Ca 0.03 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 2bnr s ARG 76 Cb -0.14 -2.42 0.09 0.00 -1.56 0.00 0.00 34.95 30.91 2bnr s ARG 76 CO 0.01 0.46 0.18 -0.51 -0.81 0.00 0.00 175.30 174.63 2bnr s LEU 77 N -0.32 4.96 0.16 -0.88 1.02 0.17 -1.19 118.68 122.61 2bnr s LEU 77 Ca 0.02 -1.77 -0.15 0.00 0.02 0.00 0.00 54.13 52.26 2bnr s LEU 77 Cb -0.13 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.28 2bnr s LEU 77 CO 0.02 -0.49 1.83 -0.07 0.02 0.00 0.00 176.35 177.66 2bnr h LEU 78 N 8.12 0.54 -6.53 1.79 3.38 -1.82 -0.14 115.31 120.65 2bnr h LEU 78 Ca -0.17 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.28 2bnr h LEU 78 Cb 1.06 -0.13 -0.37 0.00 0.09 0.00 0.00 40.66 41.31 2bnr h LEU 78 CO 0.68 0.39 -0.79 -0.55 0.09 0.00 0.00 178.44 178.25 2bnr s SER 79 N -5.62 2.46 0.25 -0.43 0.15 -1.26 -3.79 113.70 105.46 2bnr s SER 79 Ca -0.13 -1.91 -0.30 0.00 0.70 0.00 0.00 55.95 54.31 2bnr s SER 79 Cb 0.12 -0.10 -0.14 0.00 -1.71 0.00 0.00 66.02 64.19 2bnr s SER 79 CO 0.73 -0.31 1.16 0.00 1.20 0.00 0.00 173.24 176.03 2bnr n ALA 80 N 4.22 0.05 -2.65 5.45 0.00 0.86 -4.59 120.51 123.86 2bnr n ALA 80 Ca 0.10 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.75 2bnr n ALA 80 Cb 0.40 -2.10 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 2bnr n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnr s ALA 81 N -0.61 1.34 0.51 0.00 0.00 -1.26 -0.19 121.76 121.55 2bnr s ALA 81 Ca 0.64 -1.04 0.30 0.00 0.00 0.00 0.00 51.96 51.87 2bnr s ALA 81 Cb -0.72 -0.15 1.42 0.00 0.00 0.00 0.00 23.12 23.67 2bnr s ALA 81 CO 0.56 0.23 1.84 -1.35 0.00 0.00 0.00 175.76 177.04 2bnr h PRO 82 N 4.35 0.08 0.00 0.00 0.11 -1.95 0.28 132.00 134.86 2bnr h PRO 82 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bnr h PRO 82 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bnr h PRO 82 CO 0.41 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 2bnr n SER 83 N -4.31 0.58 -0.49 -2.05 3.41 -1.26 -1.98 113.62 107.52 2bnr n SER 83 Ca 0.22 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.63 2bnr n SER 83 Cb 1.02 -0.78 0.49 0.00 -0.26 0.00 0.00 64.21 64.68 2bnr n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bnr n GLN 84 N -2.17 1.66 -1.96 4.33 6.02 0.97 -4.85 117.38 121.38 2bnr n GLN 84 Ca 0.01 -0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 55.61 2bnr n GLN 84 Cb 0.17 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 2bnr n GLN 84 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2bnr s THR 85 N -1.93 3.23 -0.02 5.09 2.01 -0.84 -4.87 115.64 118.32 2bnr s THR 85 Ca 0.36 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.80 2bnr s THR 85 Cb 0.20 -3.37 0.05 0.00 0.01 0.00 0.00 72.50 69.38 2bnr s THR 85 CO 0.31 -0.02 0.64 -0.24 -0.69 0.00 0.00 174.62 174.63 2bnr n SER 86 N 6.02 -0.56 -4.37 3.53 2.88 -0.35 -5.00 113.62 115.77 2bnr n SER 86 Ca 0.16 -1.09 -0.34 0.00 -1.33 0.00 0.00 58.87 56.27 2bnr n SER 86 Cb 0.41 0.86 -0.14 0.00 -0.75 0.00 0.00 64.21 64.60 2bnr n SER 86 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bnr s VAL 87 N -2.06 3.51 -0.10 2.46 1.01 -1.22 -1.03 120.40 122.96 2bnr s VAL 87 Ca 0.15 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2bnr s VAL 87 Cb -0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2bnr s VAL 87 CO -0.01 0.45 0.03 -0.31 0.00 0.00 0.00 175.10 175.26 2bnr s TYR 88 N 1.04 3.23 -0.06 5.22 1.51 0.11 -0.81 117.35 127.59 2bnr s TYR 88 Ca 0.01 0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 2bnr s TYR 88 Cb -0.15 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2bnr s TYR 88 CO 0.00 0.47 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.72 2bnr s PHE 89 N -0.77 1.49 -0.05 2.71 0.08 -0.25 -0.42 117.98 120.78 2bnr s PHE 89 Ca 0.12 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 2bnr s PHE 89 Cb -0.12 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 2bnr s PHE 89 CO 0.02 -0.25 0.26 0.00 -0.10 0.00 0.00 175.22 175.15 2bnr s ALA 91 N -1.09 0.27 0.22 0.00 0.00 0.17 -0.08 121.76 121.24 2bnr s ALA 91 Ca 0.20 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2bnr s ALA 91 Cb -0.14 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2bnr s ALA 91 CO 0.09 -0.03 -0.04 -1.54 0.00 0.00 0.00 175.76 174.24 2bnr s SER 92 N 0.69 2.06 0.11 0.00 1.04 -0.30 -0.54 113.70 116.76 2bnr s SER 92 Ca -0.07 -1.16 -0.26 0.00 0.48 0.00 0.00 55.95 54.94 2bnr s SER 92 Cb -0.10 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.06 2bnr s SER 92 CO -0.01 -0.42 1.06 -0.94 0.98 0.00 0.00 173.24 173.91 2bnr s SER 93 N -3.31 -0.11 0.69 7.02 1.04 0.21 -1.02 113.70 118.22 2bnr s SER 93 Ca 0.26 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2bnr s SER 93 Cb 0.04 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.58 2bnr s SER 93 CO 0.08 -0.76 1.07 -0.31 0.98 0.00 0.00 173.24 174.30 2bnr s TYR 94 N -2.84 3.31 -0.57 5.02 1.51 -1.26 -1.22 117.35 121.30 2bnr s TYR 94 Ca 0.15 0.98 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 2bnr s TYR 94 Cb -0.00 -3.02 0.54 0.00 -0.11 0.00 0.00 41.96 39.37 2bnr s TYR 94 CO 0.01 -1.13 1.97 1.33 -1.11 0.00 0.00 175.55 176.62 2bnr n VAL 95 N -2.94 3.43 -2.50 0.71 0.24 -1.26 -4.70 118.33 111.31 2bnr n VAL 95 Ca 0.07 -2.55 0.00 0.00 -2.04 0.00 0.00 64.34 59.81 2bnr n VAL 95 Cb 0.57 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 2bnr n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bnr n GLY 96 N -1.01 1.35 7.00 7.63 0.00 -1.26 -5.05 105.19 113.84 2bnr n GLY 96 Ca 0.61 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2bnr n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bnr n ASN 97 N 0.00 0.00 0.20 1.61 2.85 -1.26 -1.52 115.26 117.14 2bnr n ASN 97 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 2bnr n ASN 97 Cb 0.00 0.00 0.30 0.00 1.24 0.00 0.00 39.78 41.32 2bnr n ASN 97 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2bnr h THR 98 N 0.00 0.00 0.00 -0.44 1.35 -2.00 -3.47 112.91 108.35 2bnr h THR 98 Ca 0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2bnr h THR 98 Cb 0.00 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2bnr h THR 98 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2bnr n GLY 99 N 0.95 0.46 3.73 5.82 0.00 -0.58 -4.99 105.19 110.57 2bnr n GLY 99 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2bnr n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bnr n GLU 100 N -2.46 2.43 -3.22 1.61 2.13 -1.26 -4.83 120.64 115.04 2bnr n GLU 100 Ca 0.00 0.86 -0.39 0.00 0.66 0.00 0.00 57.16 58.29 2bnr n GLU 100 Cb 0.06 -2.56 -0.06 0.00 0.27 0.00 0.00 31.44 29.15 2bnr n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bnr s LEU 101 N -0.78 4.54 -0.22 4.31 1.43 -1.26 -4.50 118.68 122.19 2bnr s LEU 101 Ca 0.61 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2bnr s LEU 101 Cb -0.54 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 42.76 2bnr s LEU 101 CO 0.55 0.26 -0.12 -0.36 0.23 0.00 0.00 176.35 176.90 2bnr s PHE 102 N -1.09 2.86 0.18 0.29 0.08 -0.19 -4.96 117.98 115.15 2bnr s PHE 102 Ca 0.30 -1.93 -0.08 0.00 0.12 0.00 0.00 56.93 55.34 2bnr s PHE 102 Cb -0.20 -1.82 -0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2bnr s PHE 102 CO 0.20 -0.82 0.48 -0.06 -0.10 0.00 0.00 175.22 174.92 2bnr s PHE 103 N 1.25 3.47 0.89 0.36 0.40 -1.26 -1.15 117.98 121.93 2bnr s PHE 103 Ca -0.03 0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 56.93 2bnr s PHE 103 Cb -0.17 -2.17 0.15 0.00 0.51 0.00 0.00 43.02 41.33 2bnr s PHE 103 CO -0.08 0.36 1.25 0.20 0.70 0.00 0.00 175.22 177.65 2bnr s GLY 104 N -2.27 1.71 0.56 4.36 0.00 0.88 -4.77 107.32 107.78 2bnr s GLY 104 Ca 0.43 -1.01 0.36 0.00 0.00 0.00 0.00 44.72 44.50 2bnr s GLY 104 CO 0.22 -0.36 2.06 -2.09 0.00 0.00 0.00 173.10 172.92 2bnr h GLU 105 N -1.35 0.00 0.00 2.90 4.81 -1.89 -3.44 114.58 115.61 2bnr h GLU 105 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2bnr h GLU 105 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2bnr h GLU 105 CO 0.49 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 2bnr n GLY 106 N -0.23 2.24 2.99 1.92 0.00 -1.26 -5.06 105.19 105.79 2bnr n GLY 106 Ca -0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 2bnr n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bnr s SER 107 N 0.00 2.11 -0.26 1.61 0.01 0.44 -4.66 113.70 112.95 2bnr s SER 107 Ca 0.00 -0.34 -0.14 0.00 1.31 0.00 0.00 55.95 56.78 2bnr s SER 107 Cb 0.00 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 2bnr s SER 107 CO 0.00 -0.03 0.35 -0.13 0.41 0.00 0.00 173.24 173.84 2bnr s ARG 108 N 1.14 4.04 -0.10 12.44 0.52 0.08 0.07 118.95 137.13 2bnr s ARG 108 Ca -0.05 0.02 0.04 0.00 -0.52 0.00 0.00 55.73 55.21 2bnr s ARG 108 Cb -0.14 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.70 2bnr s ARG 108 CO -0.02 -0.20 -0.23 -1.17 0.02 0.00 0.00 175.30 173.69 2bnr s LEU 109 N 1.83 2.08 -0.15 2.53 2.96 -0.20 -0.86 118.68 126.87 2bnr s LEU 109 Ca 0.14 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2bnr s LEU 109 Cb -0.15 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.15 2bnr s LEU 109 CO 0.09 0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.20 2bnr s THR 110 N 0.41 1.84 -0.22 3.68 2.01 -0.56 -1.21 115.64 121.59 2bnr s THR 110 Ca -0.17 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 2bnr s THR 110 Cb -0.18 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2bnr s THR 110 CO 0.07 0.51 0.00 -0.69 -0.69 0.00 0.00 174.62 173.82 2bnr s VAL 111 N 1.18 3.80 0.08 3.82 1.01 -1.26 -0.66 120.40 128.37 2bnr s VAL 111 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2bnr s VAL 111 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2bnr s VAL 111 CO -0.08 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.47 2bnr s LEU 112 N 1.42 2.61 0.18 3.92 1.43 0.13 -4.39 118.68 123.98 2bnr s LEU 112 Ca 0.05 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2bnr s LEU 112 Cb -0.15 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.65 2bnr s LEU 112 CO 0.00 0.22 1.52 -0.08 0.23 0.00 0.00 176.35 178.24 2bnr h GLU 113 N 4.16 0.74 -3.55 1.70 4.81 -1.95 0.81 114.58 121.30 2bnr h GLU 113 Ca -0.49 -0.40 -0.38 0.00 -0.13 0.00 0.00 59.36 57.97 2bnr h GLU 113 Cb 1.16 0.02 -0.37 0.00 0.63 0.00 0.00 28.75 30.19 2bnr h GLU 113 CO 0.46 1.02 -0.75 0.34 -0.73 0.00 0.00 179.01 179.35 2bnr s ASP 114 N -6.86 0.99 0.00 1.04 -1.08 -1.26 -4.56 116.67 104.93 2bnr s ASP 114 Ca -0.09 0.00 0.12 0.00 -0.52 0.00 0.00 52.55 52.06 2bnr s ASP 114 Cb 0.12 -0.24 0.57 0.00 -1.46 0.00 0.00 42.92 41.91 2bnr s ASP 114 CO 0.85 -0.18 1.30 0.18 0.52 0.00 0.00 175.17 177.84 2bnr n LEU 115 N 4.85 0.00 0.08 -1.34 4.77 -1.26 -2.64 117.00 121.45 2bnr n LEU 115 Ca -0.13 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2bnr n LEU 115 Cb 0.50 -0.33 0.37 0.00 -2.33 0.00 0.00 43.42 41.63 2bnr n LEU 115 CO 0.13 -0.20 0.75 2.29 -1.33 0.00 0.00 177.39 179.03 2bnr n LYS 116 N -1.33 0.09 0.00 3.23 2.85 -1.26 -1.60 118.16 120.14 2bnr n LYS 116 Ca 0.05 0.43 0.14 0.00 -1.05 0.00 0.00 58.31 57.88 2bnr n LYS 116 Cb 0.10 -1.72 0.63 0.00 -0.65 0.00 0.00 35.03 33.40 2bnr n LYS 116 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2bnr n ASN 117 N -1.90 1.08 -4.69 -5.58 3.02 -1.08 -4.85 115.26 101.26 2bnr n ASN 117 Ca 0.01 -1.33 -0.41 0.00 -0.03 0.00 0.00 54.58 52.82 2bnr n ASN 117 Cb 0.13 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 2bnr n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bnr s VAL 118 N -2.02 4.93 -0.02 2.41 1.01 -0.63 -4.69 120.40 121.40 2bnr s VAL 118 Ca 0.40 1.63 0.01 0.00 0.00 0.00 0.00 61.98 64.02 2bnr s VAL 118 Cb 0.21 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2bnr s VAL 118 CO 0.35 0.12 -0.04 -0.36 0.00 0.00 0.00 175.10 175.16 2bnr s PHE 119 N 1.57 0.53 0.44 5.22 0.40 0.08 -4.76 117.98 121.46 2bnr s PHE 119 Ca 0.40 -0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 56.47 2bnr s PHE 119 Cb -0.17 -0.41 -0.08 0.00 0.51 0.00 0.00 43.02 42.86 2bnr s PHE 119 CO 0.16 -0.07 0.88 -1.25 0.70 0.00 0.00 175.22 175.65 2bnr s PRO 120 N 0.27 3.96 0.63 0.24 0.04 -1.26 -0.80 135.00 138.09 2bnr s PRO 120 Ca -0.03 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 2bnr s PRO 120 Cb -0.07 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2bnr s PRO 120 CO -0.00 -0.10 1.06 -1.25 0.04 0.00 0.00 177.00 176.75 2bnr s PRO 121 N -3.70 3.13 -0.09 0.56 0.04 -1.26 -4.41 135.00 129.27 2bnr s PRO 121 Ca 0.57 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 2bnr s PRO 121 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2bnr s PRO 121 CO 0.26 -0.96 -0.01 -1.21 0.04 0.00 0.00 177.00 175.12 2bnr s GLU 122 N -4.37 3.02 -0.03 4.56 2.02 -0.56 -4.90 118.70 118.44 2bnr s GLU 122 Ca 0.62 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 55.22 2bnr s GLU 122 Cb -0.16 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 2bnr s GLU 122 CO 0.43 0.65 -0.19 0.08 0.02 0.00 0.00 175.26 176.25 2bnr s VAL 123 N -0.73 1.52 0.01 2.63 1.01 -1.26 -1.01 120.40 122.57 2bnr s VAL 123 Ca 0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 2bnr s VAL 123 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2bnr s VAL 123 CO 0.02 0.43 -0.00 0.00 0.00 0.00 0.00 175.10 175.55 2bnr s ALA 124 N -0.19 0.03 -0.10 5.51 0.00 -0.59 -4.58 121.76 121.84 2bnr s ALA 124 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2bnr s ALA 124 Cb -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 2bnr s ALA 124 CO 0.01 -0.08 -0.16 0.08 0.00 0.00 0.00 175.76 175.61 2bnr s VAL 125 N -0.73 2.81 -0.13 0.00 1.01 -1.26 -0.95 120.40 121.16 2bnr s VAL 125 Ca -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2bnr s VAL 125 Cb -0.05 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2bnr s VAL 125 CO -0.00 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.21 2bnr s PHE 126 N 0.05 2.94 0.45 5.22 0.40 0.93 -4.97 117.98 123.00 2bnr s PHE 126 Ca -0.06 -0.34 -0.22 0.00 -0.60 0.00 0.00 56.93 55.72 2bnr s PHE 126 Cb -0.15 -1.87 -0.09 0.00 0.51 0.00 0.00 43.02 41.43 2bnr s PHE 126 CO 0.05 -0.01 1.04 -1.21 0.70 0.00 0.00 175.22 175.79 2bnr s GLU 127 N 0.12 3.94 0.55 0.44 2.02 -1.26 -1.86 118.70 122.64 2bnr s GLU 127 Ca -0.03 1.43 -0.21 0.00 0.02 0.00 0.00 54.97 56.17 2bnr s GLU 127 Cb -0.14 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 2bnr s GLU 127 CO 0.03 -0.32 1.32 -1.25 0.02 0.00 0.00 175.26 175.07 2bnr s PRO 128 N -2.94 3.15 0.34 0.39 0.04 -1.22 -4.91 135.00 129.85 2bnr s PRO 128 Ca 0.64 2.14 -0.22 0.00 0.04 0.00 0.00 61.00 63.60 2bnr s PRO 128 Cb -0.19 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 2bnr s PRO 128 CO 0.23 -1.15 0.88 -1.54 0.04 0.00 0.00 177.00 175.45 2bnr s SER 129 N -1.08 7.09 0.49 6.66 1.04 -1.26 -4.94 113.70 121.70 2bnr s SER 129 Ca 0.72 1.64 0.18 0.00 0.48 0.00 0.00 55.95 58.97 2bnr s SER 129 Cb -0.38 -2.51 1.21 0.00 0.10 0.00 0.00 66.02 64.44 2bnr s SER 129 CO 0.45 -0.16 2.06 -0.33 0.98 0.00 0.00 173.24 176.24 2bnr h GLU 130 N 2.71 0.00 -0.28 4.02 5.08 -1.99 -2.23 114.58 121.89 2bnr h GLU 130 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2bnr h GLU 130 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2bnr h GLU 130 CO 0.64 0.12 0.03 0.00 -1.00 0.00 0.00 179.01 178.80 2bnr h ALA 131 N 1.88 0.38 -0.67 3.43 0.00 -1.99 -2.36 119.26 119.93 2bnr h ALA 131 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2bnr h ALA 131 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2bnr h ALA 131 CO 0.02 0.09 0.26 1.49 0.00 0.00 0.00 179.25 181.10 2bnr h GLU 132 N 0.29 1.01 -0.33 0.00 4.81 -1.77 -1.42 114.58 117.16 2bnr h GLU 132 Ca 0.08 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2bnr h GLU 132 Cb 0.37 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2bnr h GLU 132 CO 0.01 0.85 -0.04 0.82 -0.73 0.00 0.00 179.01 179.92 2bnr h ILE 133 N 0.95 0.71 -0.03 2.32 1.08 -1.23 0.36 117.51 121.67 2bnr h ILE 133 Ca 0.22 -0.02 -0.25 0.00 -0.39 0.00 0.00 64.86 64.43 2bnr h ILE 133 Cb 0.23 0.66 0.01 0.00 -3.07 0.00 0.00 36.82 34.65 2bnr h ILE 133 CO -0.02 0.01 -0.97 0.77 -0.69 0.00 0.00 178.15 177.26 2bnr h SER 134 N 0.05 0.81 -0.00 1.72 4.64 -1.33 0.51 113.55 119.94 2bnr h SER 134 Ca 0.16 -0.63 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 2bnr h SER 134 Cb 0.23 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2bnr h SER 134 CO -0.31 1.42 -0.30 -0.74 -0.87 0.00 0.00 176.83 176.03 2bnr h HIS 135 N 0.38 0.51 0.00 4.77 -0.00 -1.05 -3.37 115.15 116.39 2bnr h HIS 135 Ca -0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2bnr h HIS 135 Cb 1.61 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.90 2bnr h HIS 135 CO 0.09 0.71 0.00 0.25 -0.00 0.00 0.00 177.93 178.98 2bnr n THR 136 N -4.09 0.00 -1.43 6.26 -2.24 0.10 -5.00 114.28 107.88 2bnr n THR 136 Ca -0.01 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 2bnr n THR 136 Cb 0.44 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 2bnr n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bnr n GLN 137 N -0.65 -1.09 -4.36 -0.78 6.02 0.17 -4.98 117.38 111.72 2bnr n GLN 137 Ca 0.00 1.01 -0.19 0.00 -0.01 0.00 0.00 57.00 57.82 2bnr n GLN 137 Cb 0.00 -5.16 -0.10 0.00 1.02 0.00 0.00 30.24 26.00 2bnr n GLN 137 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bnr s LYS 138 N -3.23 1.36 -0.07 -1.09 1.02 -1.26 -1.20 119.74 115.28 2bnr s LYS 138 Ca 0.00 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 2bnr s LYS 138 Cb 0.00 -1.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.31 2bnr s LYS 138 CO 0.00 0.11 0.02 0.00 -0.92 0.00 0.00 175.35 174.56 2bnr s ALA 139 N -3.06 0.57 -0.24 5.17 0.00 0.85 -3.37 121.76 121.69 2bnr s ALA 139 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 2bnr s ALA 139 Cb 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2bnr s ALA 139 CO 0.08 -0.50 0.11 0.99 0.00 0.00 0.00 175.76 176.43 2bnr s THR 140 N 2.03 4.79 0.00 0.00 2.01 -1.26 -1.10 115.64 122.12 2bnr s THR 140 Ca 0.05 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2bnr s THR 140 Cb -0.12 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2bnr s THR 140 CO -0.05 0.35 0.21 -0.76 -0.69 0.00 0.00 174.62 173.69 2bnr s LEU 141 N 1.23 4.37 -0.03 4.42 1.02 0.60 -3.41 118.68 126.88 2bnr s LEU 141 Ca 0.06 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.66 2bnr s LEU 141 Cb -0.14 -2.66 -0.01 0.00 0.02 0.00 0.00 46.19 43.40 2bnr s LEU 141 CO 0.05 0.25 -0.18 0.68 0.02 0.00 0.00 176.35 177.17 2bnr s VAL 142 N -1.33 1.43 -0.09 -1.59 -7.23 -0.78 -1.23 120.40 109.58 2bnr s VAL 142 Ca 0.28 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2bnr s VAL 142 Cb -0.13 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 2bnr s VAL 142 CO 0.18 0.41 -0.11 0.00 -0.31 0.00 0.00 175.10 175.28 2bnr s LEU 144 N -0.29 1.71 -0.23 0.00 1.43 -0.13 -1.53 118.68 119.64 2bnr s LEU 144 Ca 0.03 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2bnr s LEU 144 Cb -0.13 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2bnr s LEU 144 CO 0.03 -0.01 0.01 0.00 0.23 0.00 0.00 176.35 176.61 2bnr s ALA 145 N 1.14 2.97 0.16 4.21 0.00 0.17 -1.55 121.76 128.87 2bnr s ALA 145 Ca -0.03 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2bnr s ALA 145 Cb -0.14 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 2bnr s ALA 145 CO -0.04 -0.41 -0.09 0.95 0.00 0.00 0.00 175.76 176.17 2bnr s THR 146 N 1.46 1.19 -1.89 0.00 -4.23 -0.18 0.24 115.64 112.23 2bnr s THR 146 Ca 0.05 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2bnr s THR 146 Cb -0.15 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2bnr s THR 146 CO 0.00 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 2bnr n GLY 147 N -0.25 0.50 3.94 3.99 0.00 -0.07 -1.49 105.19 111.81 2bnr n GLY 147 Ca -0.09 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2bnr n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bnr s PHE 148 N -2.90 3.48 -0.28 1.61 -0.71 -1.02 -4.59 117.98 113.57 2bnr s PHE 148 Ca 0.00 0.23 -0.21 0.00 -1.04 0.00 0.00 56.93 55.91 2bnr s PHE 148 Cb 0.00 -1.76 0.09 0.00 -1.21 0.00 0.00 43.02 40.14 2bnr s PHE 148 CO 0.00 0.41 0.80 -0.47 -1.34 0.00 0.00 175.22 174.62 2bnr s TYR 149 N -1.88 -0.80 0.54 3.49 6.14 0.02 0.05 117.35 124.90 2bnr s TYR 149 Ca 0.37 1.75 -0.09 0.00 0.64 0.00 0.00 57.07 59.74 2bnr s TYR 149 Cb -0.11 0.43 0.13 0.00 0.42 0.00 0.00 41.96 42.83 2bnr s TYR 149 CO 0.29 -0.39 0.60 -0.35 0.64 0.00 0.00 175.55 176.34 2bnr n PRO 150 N 3.33 -1.28 -1.82 4.97 -0.04 -1.26 -0.74 135.00 138.15 2bnr n PRO 150 Ca -0.17 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 61.93 2bnr n PRO 150 Cb 0.57 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 2bnr n PRO 150 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bnr n ASP 151 N -3.64 4.00 -3.77 3.54 2.03 -1.26 -4.78 116.55 112.67 2bnr n ASP 151 Ca 0.08 -2.85 -0.28 0.00 0.52 0.00 0.00 54.79 52.25 2bnr n ASP 151 Cb 0.29 -1.66 -0.12 0.00 -0.72 0.00 0.00 41.12 38.91 2bnr n ASP 151 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2bnr s HIS 152 N 3.22 2.88 0.05 -0.67 3.76 -1.26 -5.08 115.29 118.19 2bnr s HIS 152 Ca 0.47 -3.05 -0.00 0.00 -0.15 0.00 0.00 55.06 52.33 2bnr s HIS 152 Cb 0.13 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2bnr s HIS 152 CO -0.07 -0.63 -0.04 0.14 -0.85 0.00 0.00 174.74 173.29 2bnr s VAL 153 N -0.96 0.28 -0.10 -0.90 -7.23 -1.26 -1.55 120.40 108.68 2bnr s VAL 153 Ca 0.26 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2bnr s VAL 153 Cb -0.04 -1.36 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2bnr s VAL 153 CO -0.16 -0.90 0.03 -1.61 -0.31 0.00 0.00 175.10 172.15 2bnr s GLU 154 N -3.54 0.37 -0.14 4.82 2.02 -0.16 -4.97 118.70 117.10 2bnr s GLU 154 Ca 0.04 0.07 -0.06 0.00 0.02 0.00 0.00 54.97 55.05 2bnr s GLU 154 Cb 0.05 -1.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.10 2bnr s GLU 154 CO -0.08 -0.41 0.06 -1.17 0.02 0.00 0.00 175.26 173.68 2bnr s LEU 155 N 2.03 3.88 0.03 1.80 0.20 -1.26 -0.58 118.68 124.78 2bnr s LEU 155 Ca 0.04 0.18 -0.02 0.00 0.69 0.00 0.00 54.13 55.03 2bnr s LEU 155 Cb -0.13 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.66 2bnr s LEU 155 CO -0.06 0.28 -0.00 -0.94 -0.29 0.00 0.00 176.35 175.35 2bnr s SER 156 N -0.29 0.30 -0.07 3.68 1.04 0.11 -5.00 113.70 113.47 2bnr s SER 156 Ca 0.08 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2bnr s SER 156 Cb -0.12 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2bnr s SER 156 CO 0.02 -0.43 -0.05 0.26 0.98 0.00 0.00 173.24 174.01 2bnr s TRP 157 N -2.40 2.99 -0.10 5.02 0.52 -1.26 -0.38 118.94 123.33 2bnr s TRP 157 Ca -0.07 0.06 -0.00 0.00 0.02 0.00 0.00 56.10 56.11 2bnr s TRP 157 Cb -0.03 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 2bnr s TRP 157 CO -0.04 0.37 -0.07 -1.58 0.02 0.00 0.00 176.95 175.64 2bnr s TRP 158 N -0.84 1.39 -0.22 -1.98 0.52 0.55 -1.47 118.94 116.89 2bnr s TRP 158 Ca 0.13 -0.66 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 2bnr s TRP 158 Cb -0.11 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2bnr s TRP 158 CO 0.02 -0.47 -0.03 0.08 0.02 0.00 0.00 176.95 176.56 2bnr s VAL 159 N 1.64 3.50 -1.45 4.03 1.01 0.24 -0.78 120.40 128.60 2bnr s VAL 159 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2bnr s VAL 159 Cb -0.13 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.70 2bnr s VAL 159 CO -0.07 0.42 0.68 0.59 0.00 0.00 0.00 175.10 176.73 2bnr n ASN 160 N 4.69 -2.02 0.00 3.32 3.02 0.05 -1.74 115.26 122.58 2bnr n ASN 160 Ca -0.18 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2bnr n ASN 160 Cb 0.51 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 2bnr n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnr n GLY 161 N -1.72 2.01 3.25 7.41 0.00 -1.26 -5.03 105.19 109.86 2bnr n GLY 161 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2bnr n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnr s LYS 162 N -0.12 2.16 0.33 1.61 1.02 -0.71 -5.07 119.74 118.96 2bnr s LYS 162 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 2bnr s LYS 162 Cb 0.00 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 2bnr s LYS 162 CO 0.00 0.42 1.31 -2.00 -0.92 0.00 0.00 175.35 174.16 2bnr s GLU 163 N -0.32 4.36 0.15 1.68 2.12 -1.26 -0.59 118.70 124.84 2bnr s GLU 163 Ca 0.02 2.21 0.09 0.00 0.36 0.00 0.00 54.97 57.65 2bnr s GLU 163 Cb -0.11 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2bnr s GLU 163 CO 0.01 -0.19 -0.21 0.14 -0.54 0.00 0.00 175.26 174.48 2bnr s VAL 164 N -1.11 1.92 0.00 3.70 -7.23 -0.54 -4.88 120.40 112.27 2bnr s VAL 164 Ca 0.49 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2bnr s VAL 164 Cb -0.40 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2bnr s VAL 164 CO 0.52 -0.17 0.00 1.41 -0.31 0.00 0.00 175.10 176.55 2bnr n HIS 165 N 0.56 0.00 -2.25 2.82 -0.00 -1.26 -4.46 115.22 110.63 2bnr n HIS 165 Ca -0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.16 2bnr n HIS 165 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.52 2bnr n HIS 165 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2bnr s SER 166 N -2.14 6.94 -0.10 0.41 0.15 -1.26 -2.71 113.70 114.99 2bnr s SER 166 Ca 0.00 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.07 2bnr s SER 166 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2bnr s SER 166 CO 0.00 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2bnr n GLY 167 N 1.91 0.48 3.57 9.45 0.00 -1.26 -4.83 105.19 114.52 2bnr n GLY 167 Ca 0.04 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2bnr n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnr s VAL 168 N -1.93 3.61 -0.09 1.61 1.01 -1.10 -0.67 120.40 122.85 2bnr s VAL 168 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2bnr s VAL 168 Cb 0.00 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.94 2bnr s VAL 168 CO 0.00 0.55 0.18 0.00 0.00 0.00 0.00 175.10 175.83 2bnr s THR 170 N 2.23 2.78 0.30 0.00 2.01 -1.26 -0.48 115.64 121.20 2bnr s THR 170 Ca 0.02 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 2bnr s THR 170 Cb -0.12 -2.08 -0.13 0.00 0.01 0.00 0.00 72.50 70.18 2bnr s THR 170 CO -0.06 0.53 1.24 0.47 -0.69 0.00 0.00 174.62 176.11 2bnr n ASP 171 N 2.16 2.32 0.02 3.53 8.00 -0.65 -4.87 116.55 127.06 2bnr n ASP 171 Ca -0.17 1.18 0.03 0.00 0.71 0.00 0.00 54.79 56.54 2bnr n ASP 171 Cb 0.52 -1.41 0.39 0.00 -0.02 0.00 0.00 41.12 40.61 2bnr n ASP 171 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2bnr h PRO 172 N 2.85 0.50 -3.56 -0.24 0.13 -1.98 -3.44 132.00 126.26 2bnr h PRO 172 Ca -0.44 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 2bnr h PRO 172 Cb 1.30 -0.10 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2bnr h PRO 172 CO 0.66 0.40 -0.52 1.14 -0.23 0.00 0.00 178.00 179.45 2bnr s GLN 173 N -5.29 0.44 0.94 0.86 -2.07 -1.26 -5.16 119.66 108.13 2bnr s GLN 173 Ca -0.08 -0.38 -0.12 0.00 -1.82 0.00 0.00 55.36 52.97 2bnr s GLN 173 Cb 0.17 0.18 0.16 0.00 -1.09 0.00 0.00 33.01 32.43 2bnr s GLN 173 CO 0.74 -0.10 1.09 -2.14 -1.32 0.00 0.00 175.29 173.56 2bnr s PRO 174 N -1.29 0.87 0.13 9.60 0.02 -1.26 -4.97 135.00 138.09 2bnr s PRO 174 Ca -0.14 0.85 0.08 0.00 0.02 0.00 0.00 61.00 61.81 2bnr s PRO 174 Cb -0.07 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2bnr s PRO 174 CO 0.01 -2.52 -0.11 -0.48 -0.33 0.00 0.00 177.00 173.57 2bnr s LEU 175 N -6.40 2.96 -0.10 -5.54 0.05 -0.33 -4.94 118.68 104.38 2bnr s LEU 175 Ca 0.64 -0.48 -0.26 0.00 0.05 0.00 0.00 54.13 54.09 2bnr s LEU 175 Cb -0.19 -1.73 -0.02 0.00 -2.05 0.00 0.00 46.19 42.20 2bnr s LEU 175 CO 0.58 0.15 0.85 -0.54 -0.55 0.00 0.00 176.35 176.85 2bnr s LYS 176 N -2.39 4.40 0.46 1.48 1.02 -1.26 -1.53 119.74 121.92 2bnr s LYS 176 Ca 0.22 1.11 0.24 0.00 0.02 0.00 0.00 55.97 57.56 2bnr s LYS 176 Cb -0.10 -3.52 1.08 0.00 -0.52 0.00 0.00 37.83 34.77 2bnr s LYS 176 CO 0.13 -0.18 1.90 0.93 -0.92 0.00 0.00 175.35 177.22 2bnr h GLU 177 N 7.05 0.00 -2.45 1.68 5.08 -1.46 -3.28 114.58 121.21 2bnr h GLU 177 Ca -0.35 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.42 2bnr h GLU 177 Cb 1.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.02 2bnr h GLU 177 CO 0.80 0.21 -0.87 1.04 -1.00 0.00 0.00 179.01 179.19 2bnr n GLN 178 N -3.52 0.92 -0.35 2.33 6.02 -1.26 -5.00 117.38 116.52 2bnr n GLN 178 Ca -0.01 -3.65 0.37 0.00 -0.01 0.00 0.00 57.00 53.70 2bnr n GLN 178 Cb 0.37 -1.79 0.70 0.00 1.02 0.00 0.00 30.24 30.54 2bnr n GLN 178 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2bnr h PRO 179 N 5.11 0.00 0.00 -1.09 0.11 -1.94 -0.69 132.00 133.50 2bnr h PRO 179 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2bnr h PRO 179 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2bnr h PRO 179 CO 0.52 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.24 2bnr n ALA 180 N -2.62 2.35 -2.74 -0.75 0.00 -1.26 -4.84 120.51 110.65 2bnr n ALA 180 Ca 0.28 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 2bnr n ALA 180 Cb 1.46 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 2bnr n ALA 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bnr s LEU 181 N -4.49 4.42 0.42 0.00 1.02 -0.26 -4.98 118.68 114.81 2bnr s LEU 181 Ca 0.10 0.65 0.23 0.00 0.02 0.00 0.00 54.13 55.14 2bnr s LEU 181 Cb 0.12 -2.28 0.75 0.00 0.02 0.00 0.00 46.19 44.81 2bnr s LEU 181 CO 0.61 0.37 1.75 0.78 0.02 0.00 0.00 176.35 179.88 2bnr h ASN 182 N 4.84 0.00 -0.52 2.29 4.21 -1.88 -3.11 115.58 121.41 2bnr h ASN 182 Ca -0.54 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 56.66 2bnr h ASN 182 Cb 1.23 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.24 2bnr h ASN 182 CO 0.60 0.23 -0.06 -0.90 -1.29 0.00 0.00 177.43 176.01 2bnr n ASP 183 N -3.30 3.45 -4.76 5.81 5.68 -1.26 -5.05 116.55 117.11 2bnr n ASP 183 Ca 0.01 -3.78 -0.39 0.00 -0.50 0.00 0.00 54.79 50.13 2bnr n ASP 183 Cb 0.48 -0.64 0.02 0.00 -1.14 0.00 0.00 41.12 39.84 2bnr n ASP 183 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2bnr s SER 184 N -2.56 5.78 0.78 -1.12 0.15 -1.18 -5.01 113.70 110.54 2bnr s SER 184 Ca 0.49 2.71 -0.12 0.00 0.70 0.00 0.00 55.95 59.73 2bnr s SER 184 Cb 0.42 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 2bnr s SER 184 CO 0.01 -1.22 1.10 -0.13 1.20 0.00 0.00 173.24 174.20 2bnr s ARG 185 N -2.62 2.22 0.34 5.44 0.52 -1.26 -4.85 118.95 118.74 2bnr s ARG 185 Ca 0.65 0.56 0.09 0.00 -0.52 0.00 0.00 55.73 56.50 2bnr s ARG 185 Cb -0.39 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 2bnr s ARG 185 CO 0.48 -1.50 0.00 0.71 0.02 0.00 0.00 175.30 175.01 2bnr s TYR 186 N -3.23 2.54 0.01 -0.53 2.02 0.11 -1.15 117.35 117.12 2bnr s TYR 186 Ca 0.60 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2bnr s TYR 186 Cb -0.13 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2bnr s TYR 186 CO 0.53 0.49 -0.03 0.00 -1.57 0.00 0.00 175.55 174.98 2bnr s ALA 187 N -2.52 0.19 0.00 3.71 0.00 -0.58 -0.90 121.76 121.66 2bnr s ALA 187 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2bnr s ALA 187 Cb -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 2bnr s ALA 187 CO 0.19 -0.04 -0.02 -1.17 0.00 0.00 0.00 175.76 174.72 2bnr s LEU 188 N -0.74 2.03 0.15 0.00 2.96 0.14 -1.18 118.68 122.03 2bnr s LEU 188 Ca -0.07 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2bnr s LEU 188 Cb -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 2bnr s LEU 188 CO -0.00 -0.01 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.91 2bnr s SER 189 N -0.19 2.46 0.04 3.68 1.04 -1.26 -0.66 113.70 118.82 2bnr s SER 189 Ca -0.01 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 2bnr s SER 189 Cb -0.02 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2bnr s SER 189 CO -0.00 -0.08 0.25 -0.55 0.98 0.00 0.00 173.24 173.84 2bnr s SER 190 N -2.65 -0.05 0.09 7.02 0.15 -0.58 -1.64 113.70 116.04 2bnr s SER 190 Ca 0.14 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.59 2bnr s SER 190 Cb -0.05 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2bnr s SER 190 CO 0.05 -0.58 -0.18 -0.13 1.20 0.00 0.00 173.24 173.61 2bnr s ARG 191 N -2.50 1.00 -0.12 5.44 3.00 0.36 -0.81 118.95 125.33 2bnr s ARG 191 Ca -0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 55.73 54.57 2bnr s ARG 191 Cb -0.01 -1.16 0.04 0.00 0.00 0.00 0.00 34.95 33.82 2bnr s ARG 191 CO -0.03 0.26 0.00 -1.17 0.00 0.00 0.00 175.30 174.36 2bnr s LEU 192 N -1.87 0.90 -0.14 2.53 2.96 -0.36 -1.82 118.68 120.88 2bnr s LEU 192 Ca 0.03 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2bnr s LEU 192 Cb -0.10 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 2bnr s LEU 192 CO 0.03 -0.22 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.18 2bnr s ARG 193 N 1.89 3.53 0.30 1.98 3.52 0.16 -0.29 118.95 130.03 2bnr s ARG 193 Ca 0.03 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2bnr s ARG 193 Cb -0.14 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 2bnr s ARG 193 CO -0.07 0.28 0.10 0.14 -0.81 0.00 0.00 175.30 174.95 2bnr s VAL 194 N 0.24 0.65 0.71 7.11 -7.23 -0.25 -4.65 120.40 116.98 2bnr s VAL 194 Ca -0.04 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 2bnr s VAL 194 Cb -0.14 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.21 2bnr s VAL 194 CO 0.03 0.00 1.12 -0.94 -0.31 0.00 0.00 175.10 175.01 2bnr s SER 195 N -3.39 4.70 0.25 4.85 1.04 -1.26 -0.10 113.70 119.79 2bnr s SER 195 Ca 0.36 2.02 -0.05 0.00 0.48 0.00 0.00 55.95 58.75 2bnr s SER 195 Cb 0.07 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.93 2bnr s SER 195 CO 0.15 -1.91 1.93 0.00 0.98 0.00 0.00 173.24 174.39 2bnr h ALA 196 N -0.41 1.30 -0.78 5.32 0.00 -1.42 -1.91 119.26 121.37 2bnr h ALA 196 Ca -0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2bnr h ALA 196 Cb 1.25 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2bnr h ALA 196 CO 0.52 0.64 0.31 1.79 0.00 0.00 0.00 179.25 182.51 2bnr h THR 197 N 1.34 1.26 -0.43 0.00 1.35 -1.91 -0.05 112.91 114.45 2bnr h THR 197 Ca 0.37 -0.81 -0.09 0.00 -0.55 0.00 0.00 66.41 65.34 2bnr h THR 197 Cb -0.12 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2bnr h THR 197 CO -0.09 0.33 -0.08 0.15 -0.25 0.00 0.00 175.52 175.58 2bnr h PHE 198 N 1.13 0.92 -0.12 4.73 3.57 -1.81 -2.84 116.94 122.51 2bnr h PHE 198 Ca 0.26 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2bnr h PHE 198 Cb 0.21 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2bnr h PHE 198 CO 0.02 0.92 -0.32 2.35 -2.23 0.00 0.00 178.31 179.05 2bnr h TRP 199 N 0.65 0.26 0.00 0.41 2.91 -1.03 -2.97 115.95 116.17 2bnr h TRP 199 Ca 0.11 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2bnr h TRP 199 Cb 0.61 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.20 2bnr h TRP 199 CO 0.05 0.53 0.00 1.04 -1.03 0.00 0.00 178.44 179.03 2bnr n GLN 200 N -4.10 0.84 -3.02 2.65 6.02 -0.06 -1.30 117.38 118.41 2bnr n GLN 200 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 2bnr n GLN 200 Cb 0.41 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 2bnr n GLN 200 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bnr s ASP 201 N -2.09 6.42 0.00 1.08 -1.08 -1.12 -3.38 116.67 116.49 2bnr s ASP 201 Ca 0.41 -0.05 0.04 0.00 -0.52 0.00 0.00 52.55 52.44 2bnr s ASP 201 Cb 0.20 -2.36 0.23 0.00 -1.46 0.00 0.00 42.92 39.53 2bnr s ASP 201 CO 0.36 -0.81 0.87 -2.65 0.52 0.00 0.00 175.17 173.46 2bnr n PRO 202 N 6.47 0.09 0.05 4.34 -0.02 -1.26 -1.62 135.00 143.06 2bnr n PRO 202 Ca 0.01 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2bnr n PRO 202 Cb 0.48 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.57 2bnr n PRO 202 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bnr n ARG 203 N -1.17 0.31 -2.92 -0.52 1.74 -1.26 -4.59 116.66 108.25 2bnr n ARG 203 Ca 0.02 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 2bnr n ARG 203 Cb 0.03 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 2bnr n ARG 203 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2bnr s ASN 204 N -4.20 7.09 -0.15 0.55 0.02 -0.64 -4.97 114.94 112.65 2bnr s ASN 204 Ca 0.05 1.32 -0.03 0.00 -1.02 0.00 0.00 52.86 53.19 2bnr s ASN 204 Cb 0.13 -2.47 -0.02 0.00 0.02 0.00 0.00 41.25 38.91 2bnr s ASN 204 CO 0.75 -0.21 -0.06 -2.28 0.02 0.00 0.00 177.10 175.32 2bnr s HIS 205 N 1.10 2.96 -0.09 2.20 5.65 -1.26 -0.60 115.29 125.26 2bnr s HIS 205 Ca 0.42 -0.39 0.04 0.00 0.25 0.00 0.00 55.06 55.38 2bnr s HIS 205 Cb -0.18 -1.92 -0.00 0.00 -1.18 0.00 0.00 32.58 29.29 2bnr s HIS 205 CO 0.20 -0.08 -0.24 -0.06 -0.65 0.00 0.00 174.74 173.91 2bnr s PHE 206 N 0.34 2.55 -0.02 3.88 0.08 0.87 -0.77 117.98 124.90 2bnr s PHE 206 Ca -0.06 -0.99 0.01 0.00 0.12 0.00 0.00 56.93 56.01 2bnr s PHE 206 Cb -0.15 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2bnr s PHE 206 CO 0.04 -0.39 -0.02 0.50 -0.10 0.00 0.00 175.22 175.25 2bnr s ARG 207 N 0.26 0.41 -0.24 0.44 3.52 0.04 -0.55 118.95 122.84 2bnr s ARG 207 Ca -0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 2bnr s ARG 207 Cb -0.17 -0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 2bnr s ARG 207 CO 0.08 -0.06 0.10 0.00 -0.81 0.00 0.00 175.30 174.62 2bnr s GLN 209 N 1.25 3.20 -0.26 0.00 0.74 0.49 -1.85 119.66 123.24 2bnr s GLN 209 Ca 0.06 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.77 2bnr s GLN 209 Cb -0.14 -2.54 0.06 0.00 1.10 0.00 0.00 33.01 31.49 2bnr s GLN 209 CO 0.05 0.27 -0.10 0.08 -0.55 0.00 0.00 175.29 175.04 2bnr s VAL 210 N 0.20 2.06 -0.18 1.34 1.01 0.33 -0.71 120.40 124.44 2bnr s VAL 210 Ca -0.09 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 2bnr s VAL 210 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2bnr s VAL 210 CO 0.05 -0.06 0.81 -1.58 0.00 0.00 0.00 175.10 174.33 2bnr s GLN 211 N 1.15 4.28 -0.09 2.72 2.00 0.25 -1.10 119.66 128.87 2bnr s GLN 211 Ca -0.08 0.98 0.01 0.00 -2.00 0.00 0.00 55.36 54.27 2bnr s GLN 211 Cb -0.20 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.01 2bnr s GLN 211 CO -0.05 -0.33 -0.10 0.12 -0.50 0.00 0.00 175.29 174.43 2bnr s PHE 212 N 2.18 2.86 -0.32 1.67 5.36 0.13 -0.99 117.98 128.88 2bnr s PHE 212 Ca 0.37 -0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 56.08 2bnr s PHE 212 Cb -0.16 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2bnr s PHE 212 CO 0.12 0.14 0.09 0.71 -1.46 0.00 0.00 175.22 174.81 2bnr s TYR 213 N -0.40 3.20 0.00 10.12 2.02 -0.60 -0.95 117.35 130.74 2bnr s TYR 213 Ca 0.05 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 2bnr s TYR 213 Cb -0.12 -2.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2bnr s TYR 213 CO 0.02 -0.66 0.00 0.41 -1.57 0.00 0.00 175.55 173.75 2bnr n GLY 214 N 4.83 3.04 3.89 0.71 0.00 -1.26 -4.75 105.19 111.64 2bnr n GLY 214 Ca -0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2bnr n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnr s LEU 215 N 0.00 3.10 0.45 0.99 1.43 -0.49 -4.52 118.68 119.64 2bnr s LEU 215 Ca 0.00 1.10 0.05 0.00 -1.03 0.00 0.00 54.13 54.25 2bnr s LEU 215 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2bnr s LEU 215 CO 0.00 -1.12 0.11 -0.94 0.23 0.00 0.00 176.35 174.64 2bnr s SER 216 N -4.29 4.22 0.60 2.29 1.04 -1.26 -2.81 113.70 113.49 2bnr s SER 216 Ca 0.56 -1.33 0.34 0.00 0.48 0.00 0.00 55.95 56.00 2bnr s SER 216 Cb -0.11 -0.09 1.94 0.00 0.10 0.00 0.00 66.02 67.86 2bnr s SER 216 CO 0.50 -0.66 2.26 -0.33 0.98 0.00 0.00 173.24 175.99 2bnr h GLU 217 N 1.42 0.00 0.00 4.02 5.08 -2.03 -1.78 114.58 121.30 2bnr h GLU 217 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2bnr h GLU 217 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2bnr h GLU 217 CO 0.73 0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 2bnr n ASN 218 N -3.55 0.64 -4.76 1.42 3.02 -1.26 -4.82 115.26 105.95 2bnr n ASN 218 Ca -0.03 0.61 -0.39 0.00 -0.03 0.00 0.00 54.58 54.74 2bnr n ASN 218 Cb 0.11 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 2bnr n ASN 218 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2bnr s ASP 219 N -4.20 7.53 0.28 6.41 1.01 -0.67 -5.04 116.67 121.99 2bnr s ASP 219 Ca 0.07 1.85 -0.29 0.00 0.71 0.00 0.00 52.55 54.89 2bnr s ASP 219 Cb 0.11 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 2bnr s ASP 219 CO 0.47 0.14 1.04 -1.61 0.21 0.00 0.00 175.17 175.42 2bnr s GLU 220 N -1.31 4.65 0.00 8.23 0.41 -1.26 -4.95 118.70 124.47 2bnr s GLU 220 Ca 0.41 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 2bnr s GLU 220 Cb -0.24 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2bnr s GLU 220 CO 0.29 0.27 0.00 1.87 -0.49 0.00 0.00 175.26 177.20 2bnr n TRP 221 N 1.13 0.00 -3.13 1.61 -0.00 -1.26 -5.00 117.44 110.79 2bnr n TRP 221 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.49 2bnr n TRP 221 Cb 0.46 0.10 -0.00 0.00 -0.00 0.00 0.00 31.31 31.87 2bnr n TRP 221 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2bnr n THR 222 N -1.45 -3.30 0.00 5.87 -2.24 -1.26 -5.00 114.28 106.90 2bnr n THR 222 Ca 0.00 0.67 0.00 0.00 -2.27 0.00 0.00 64.05 62.45 2bnr n THR 222 Cb 0.00 -3.51 0.00 0.00 -2.10 0.00 0.00 70.33 64.72 2bnr n THR 222 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2bnr n GLN 223 N 1.22 0.00 0.00 -0.78 -0.06 -1.26 -5.07 117.38 111.43 2bnr n GLN 223 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2bnr n GLN 223 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 2bnr n GLN 223 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2bnr n ASP 224 N 0.00 0.00 -4.78 1.69 5.75 -1.26 -5.07 116.55 112.89 2bnr n ASP 224 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 2bnr n ASP 224 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 2bnr n ASP 224 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2bnr s ARG 225 N -1.00 3.96 0.53 0.11 3.52 -1.26 -4.97 118.95 119.84 2bnr s ARG 225 Ca 0.00 1.65 -0.22 0.00 -0.13 0.00 0.00 55.73 57.03 2bnr s ARG 225 Cb 0.00 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2bnr s ARG 225 CO 0.00 -0.35 1.35 0.00 -0.81 0.00 0.00 175.30 175.50 2bnr s ALA 226 N -1.60 2.89 0.11 6.12 0.00 -1.26 -4.89 121.76 123.13 2bnr s ALA 226 Ca 0.61 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 2bnr s ALA 226 Cb -0.25 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 2bnr s ALA 226 CO 0.31 -1.30 1.77 0.21 0.00 0.00 0.00 175.76 176.75 2bnr s LYS 227 N -2.83 4.16 -0.96 0.00 2.20 -1.26 -4.86 119.74 116.19 2bnr s LYS 227 Ca 0.70 2.50 -0.16 0.00 -0.36 0.00 0.00 55.97 58.65 2bnr s LYS 227 Cb -0.40 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.24 2bnr s LYS 227 CO 0.48 -0.80 2.07 -0.35 -0.36 0.00 0.00 175.35 176.39 2bnr n PRO 228 N 5.60 1.98 -1.97 4.03 -0.04 -1.26 -4.93 135.00 138.41 2bnr n PRO 228 Ca 0.17 -1.89 -0.29 0.00 -0.04 0.00 0.00 63.50 61.45 2bnr n PRO 228 Cb 0.39 -2.85 0.05 0.00 -0.04 0.00 0.00 33.50 31.04 2bnr n PRO 228 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bnr s VAL 229 N 4.16 3.43 0.21 0.52 -7.23 -1.26 -1.40 120.40 118.83 2bnr s VAL 229 Ca 0.52 0.37 -0.32 0.00 -1.81 0.00 0.00 61.98 60.74 2bnr s VAL 229 Cb 0.13 -3.44 -0.13 0.00 0.56 0.00 0.00 36.38 33.50 2bnr s VAL 229 CO 0.04 -0.57 1.51 0.41 -0.31 0.00 0.00 175.10 176.18 2bnr n THR 230 N -2.95 0.54 -3.77 5.32 -1.04 -1.12 -4.43 114.28 106.82 2bnr n THR 230 Ca 0.07 -0.13 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 2bnr n THR 230 Cb 0.57 -1.58 -0.01 0.00 -1.82 0.00 0.00 70.33 67.50 2bnr n THR 230 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bnr s GLN 231 N 0.17 1.21 -0.11 -2.82 -2.07 -0.12 -4.88 119.66 111.04 2bnr s GLN 231 Ca 0.72 -0.69 -0.00 0.00 -1.82 0.00 0.00 55.36 53.57 2bnr s GLN 231 Cb -0.64 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 2bnr s GLN 231 CO 0.44 -0.56 -0.10 0.42 -1.32 0.00 0.00 175.29 174.18 2bnr s ILE 232 N -3.04 3.40 -0.08 3.63 1.01 -1.26 0.17 121.20 125.03 2bnr s ILE 232 Ca 0.14 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2bnr s ILE 232 Cb -0.01 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2bnr s ILE 232 CO 0.03 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.63 2bnr s VAL 233 N -0.06 1.69 0.20 2.92 1.01 -0.26 -4.97 120.40 120.93 2bnr s VAL 233 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2bnr s VAL 233 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2bnr s VAL 233 CO 0.03 0.48 -0.06 -0.44 0.00 0.00 0.00 175.10 175.11 2bnr s SER 234 N 0.40 1.94 0.01 3.32 0.01 -1.26 -0.51 113.70 117.61 2bnr s SER 234 Ca -0.15 -1.11 -0.03 0.00 1.31 0.00 0.00 55.95 55.96 2bnr s SER 234 Cb -0.16 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2bnr s SER 234 CO 0.06 -0.39 0.05 0.00 0.41 0.00 0.00 173.24 173.37 2bnr s ALA 235 N -3.32 -0.08 0.14 1.44 0.00 -0.77 -4.82 121.76 114.35 2bnr s ALA 235 Ca 0.23 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 2bnr s ALA 235 Cb 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2bnr s ALA 235 CO 0.05 -0.19 0.15 -1.83 0.00 0.00 0.00 175.76 173.95 2bnr s GLU 236 N -1.47 0.99 -0.03 0.00 -1.05 -1.26 -0.69 118.70 115.20 2bnr s GLU 236 Ca -0.15 -1.29 -0.24 0.00 -0.15 0.00 0.00 54.97 53.14 2bnr s GLU 236 Cb -0.09 0.30 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 2bnr s GLU 236 CO 0.00 -0.32 0.52 0.00 0.95 0.00 0.00 175.26 176.42 2bnr s ALA 237 N -4.00 -1.36 0.13 -0.84 0.00 0.29 -4.85 121.76 111.14 2bnr s ALA 237 Ca 0.19 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.11 2bnr s ALA 237 Cb 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2bnr s ALA 237 CO -0.00 -0.33 -0.02 -1.58 0.00 0.00 0.00 175.76 173.83 2bnr s TRP 238 N -1.27 2.88 0.99 0.00 0.52 -1.26 -0.09 118.94 120.71 2bnr s TRP 238 Ca -0.12 -0.10 -0.12 0.00 0.02 0.00 0.00 56.10 55.79 2bnr s TRP 238 Cb -0.02 -1.45 0.19 0.00 -1.15 0.00 0.00 33.47 31.03 2bnr s TRP 238 CO 0.07 0.48 1.08 0.20 0.02 0.00 0.00 176.95 178.81 2bnr s GLY 239 N -2.56 1.61 -0.13 0.98 0.00 0.24 -4.98 107.32 102.47 2bnr s GLY 239 Ca 0.26 0.09 -0.26 0.00 0.00 0.00 0.00 44.72 44.81 2bnr s GLY 239 CO 0.18 0.64 0.64 1.09 0.00 0.00 0.00 173.10 175.64 2bnr s ARG 240 N -4.69 0.89 0.03 2.90 1.70 -0.42 -4.09 118.95 115.27 2bnr s ARG 240 Ca 0.66 0.51 -0.14 0.00 -0.47 0.00 0.00 55.73 56.28 2bnr s ARG 240 Cb -0.22 0.43 -0.35 0.00 -0.57 0.00 0.00 34.95 34.24 2bnr s ARG 240 CO 0.60 -0.21 1.00 0.00 -1.08 0.00 0.00 175.30 175.61 2bnr h ALA 241 N 4.01 -0.12 0.00 7.88 0.00 -1.86 -3.37 119.26 125.81 2bnr h ALA 241 Ca -0.28 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2bnr h ALA 241 Cb 1.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bnr h ALA 241 CO 0.26 0.75 0.00 -0.25 0.00 0.00 0.00 179.25 180.00