#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxr s LYS 3 N 0.00 2.14 0.35 9.51 1.02 -1.26 -5.01 119.74 126.49 1bxr s LYS 3 Ca 0.00 -1.46 -0.17 0.00 0.02 0.00 0.00 55.97 54.36 1bxr s LYS 3 Cb 0.00 -3.10 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 1bxr s LYS 3 CO 0.00 -0.69 0.81 -1.12 -0.92 0.00 0.00 175.35 173.43 1bxr s SER 4 N 1.17 6.86 -0.06 2.83 0.01 -1.25 -0.84 113.70 122.42 1bxr s SER 4 Ca -0.03 1.43 -0.19 0.00 1.31 0.00 0.00 55.95 58.48 1bxr s SER 4 Cb -0.20 -2.43 0.04 0.00 0.21 0.00 0.00 66.02 63.63 1bxr s SER 4 CO -0.04 -0.24 0.43 0.00 0.41 0.00 0.00 173.24 173.80 1bxr s ALA 5 N -2.01 -1.10 -0.01 1.44 0.00 -1.17 -1.63 121.76 117.28 1bxr s ALA 5 Ca 0.56 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1bxr s ALA 5 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1bxr s ALA 5 CO 0.16 -0.28 0.22 -0.48 0.00 0.00 0.00 175.76 175.38 1bxr s LEU 6 N -0.96 1.23 -0.08 0.00 2.34 0.42 -1.85 118.68 119.78 1bxr s LEU 6 Ca -0.10 -0.04 0.03 0.00 0.06 0.00 0.00 54.13 54.08 1bxr s LEU 6 Cb -0.04 0.94 0.01 0.00 -0.56 0.00 0.00 46.19 46.54 1bxr s LEU 6 CO 0.05 -0.39 -0.16 -0.22 -1.06 0.00 0.00 176.35 174.57 1bxr s LEU 7 N -1.27 1.79 -0.04 1.48 2.96 -0.84 0.14 118.68 122.90 1bxr s LEU 7 Ca -0.13 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1bxr s LEU 7 Cb -0.06 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1bxr s LEU 7 CO 0.03 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.34 1bxr s VAL 8 N 0.57 0.92 0.39 1.68 1.01 0.26 -0.48 120.40 124.74 1bxr s VAL 8 Ca -0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1bxr s VAL 8 Cb -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1bxr s VAL 8 CO 0.05 0.29 0.63 -0.76 0.00 0.00 0.00 175.10 175.32 1bxr s LEU 9 N 0.42 3.88 0.19 3.92 1.43 0.60 0.12 118.68 129.26 1bxr s LEU 9 Ca -0.08 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1bxr s LEU 9 Cb -0.12 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.71 1bxr s LEU 9 CO 0.02 -0.38 1.60 -0.33 0.23 0.00 0.00 176.35 177.48 1bxr h GLU 10 N 0.68 -0.12 0.00 1.70 5.08 -1.33 0.32 114.58 120.92 1bxr h GLU 10 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bxr h GLU 10 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1bxr h GLU 10 CO 0.62 -0.08 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 1bxr n ASP 11 N -5.43 0.00 0.00 1.42 5.75 -1.26 -4.75 116.55 112.27 1bxr n ASP 11 Ca 0.05 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1bxr n ASP 11 Cb 0.35 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1bxr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bxr n GLY 12 N -1.13 0.54 3.73 6.12 0.00 0.11 -5.05 105.19 109.52 1bxr n GLY 12 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bxr n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxr s THR 13 N -2.25 3.17 0.01 2.61 2.01 -1.23 -4.74 115.64 115.22 1bxr s THR 13 Ca 0.00 0.90 0.05 0.00 0.31 0.00 0.00 61.69 62.95 1bxr s THR 13 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1bxr s THR 13 CO 0.00 0.10 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.80 1bxr s GLN 14 N 0.48 2.33 -0.14 4.92 -0.21 -1.26 -0.29 119.66 125.49 1bxr s GLN 14 Ca 0.61 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 1bxr s GLN 14 Cb -0.37 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.33 1bxr s GLN 14 CO 0.35 0.58 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.99 1bxr s PHE 15 N -0.92 1.46 -0.22 0.91 0.40 0.37 -5.01 117.98 114.98 1bxr s PHE 15 Ca 0.15 -0.87 -0.09 0.00 -0.60 0.00 0.00 56.93 55.52 1bxr s PHE 15 Cb -0.11 -1.21 -0.05 0.00 0.51 0.00 0.00 43.02 42.17 1bxr s PHE 15 CO 0.05 -0.56 0.12 -1.01 0.70 0.00 0.00 175.22 174.53 1bxr s HIS 16 N 1.71 3.30 0.00 0.36 3.76 -1.26 -1.99 115.29 121.18 1bxr s HIS 16 Ca 0.02 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1bxr s HIS 16 Cb -0.14 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.36 1bxr s HIS 16 CO -0.08 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.33 1bxr n GLY 17 N 3.96 4.93 3.17 -2.22 0.00 -0.77 -4.67 105.19 109.59 1bxr n GLY 17 Ca -0.16 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1bxr n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 18 N 4.84 1.25 -0.05 1.61 3.52 -0.88 -3.04 118.95 126.20 1bxr s ARG 18 Ca 0.00 -0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 54.60 1bxr s ARG 18 Cb 0.00 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 1bxr s ARG 18 CO 0.00 0.33 0.87 0.00 -0.81 0.00 0.00 175.30 175.69 1bxr s ALA 19 N -0.61 3.28 0.00 6.12 0.00 -0.02 -0.44 121.76 130.09 1bxr s ALA 19 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1bxr s ALA 19 Cb -0.07 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1bxr s ALA 19 CO 0.00 -0.26 0.28 0.44 0.00 0.00 0.00 175.76 176.22 1bxr n ILE 20 N 4.00 0.00 0.00 0.00 -5.35 -0.67 -4.89 119.36 112.45 1bxr n ILE 20 Ca 0.04 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1bxr n ILE 20 Cb 0.51 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 1bxr n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxr n GLY 21 N 0.24 4.79 3.87 3.28 0.00 -1.21 -4.59 105.19 111.57 1bxr n GLY 21 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1bxr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 22 N -2.00 3.10 0.18 4.61 0.00 0.31 -4.74 121.76 123.22 1bxr s ALA 22 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 1bxr s ALA 22 Cb 0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 1bxr s ALA 22 CO 0.00 -0.62 0.80 0.99 0.00 0.00 0.00 175.76 176.93 1bxr s THR 23 N -3.10 4.33 -4.42 0.00 2.01 -1.26 -4.31 115.64 108.89 1bxr s THR 23 Ca 0.55 1.74 0.00 0.00 0.31 0.00 0.00 61.69 64.30 1bxr s THR 23 Cb -0.11 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1bxr s THR 23 CO 0.51 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.55 1bxr n GLY 24 N 1.52 0.82 3.15 4.40 0.00 0.28 -4.95 105.19 110.41 1bxr n GLY 24 Ca -0.05 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 1bxr n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bxr s SER 25 N -4.00 1.00 -0.07 1.61 1.04 -1.26 0.11 113.70 112.13 1bxr s SER 25 Ca 0.00 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.38 1bxr s SER 25 Cb 0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1bxr s SER 25 CO 0.00 -0.48 0.18 0.00 0.98 0.00 0.00 173.24 173.92 1bxr s ALA 26 N -3.59 -0.45 0.01 5.32 0.00 0.44 -4.95 121.76 118.54 1bxr s ALA 26 Ca 0.10 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1bxr s ALA 26 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1bxr s ALA 26 CO -0.06 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.61 1bxr s VAL 27 N 0.13 0.66 -1.97 0.00 1.01 -1.26 0.15 120.40 119.11 1bxr s VAL 27 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1bxr s VAL 27 Cb -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1bxr s VAL 27 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1bxr n GLY 28 N 2.49 -1.70 3.75 4.51 0.00 -0.64 -4.77 105.19 108.84 1bxr n GLY 28 Ca -0.16 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1bxr n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bxr s GLU 29 N -1.71 4.61 -0.15 1.61 2.12 -0.71 -0.69 118.70 123.77 1bxr s GLU 29 Ca 0.00 1.23 -0.12 0.00 0.36 0.00 0.00 54.97 56.44 1bxr s GLU 29 Cb 0.00 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1bxr s GLU 29 CO 0.00 0.39 0.24 0.08 -0.54 0.00 0.00 175.26 175.43 1bxr s VAL 30 N -0.54 5.33 0.08 3.70 1.01 0.40 0.17 120.40 130.56 1bxr s VAL 30 Ca 0.40 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1bxr s VAL 30 Cb -0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1bxr s VAL 30 CO 0.27 0.45 -0.06 0.68 0.00 0.00 0.00 175.10 176.44 1bxr s VAL 31 N 0.07 0.61 -0.03 2.92 -7.23 -0.64 -3.97 120.40 112.13 1bxr s VAL 31 Ca 0.15 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1bxr s VAL 31 Cb -0.13 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1bxr s VAL 31 CO 0.03 -0.84 -0.23 0.72 -0.31 0.00 0.00 175.10 174.48 1bxr s PHE 32 N -3.41 2.43 -0.07 2.82 -0.12 -1.26 0.11 117.98 118.49 1bxr s PHE 32 Ca 0.09 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 1bxr s PHE 32 Cb 0.04 -1.54 -0.00 0.00 -0.63 0.00 0.00 43.02 40.89 1bxr s PHE 32 CO -0.05 0.02 -0.21 1.21 -0.05 0.00 0.00 175.22 176.14 1bxr s ASN 33 N -0.64 2.73 0.00 1.98 3.84 -0.13 -4.56 114.94 118.16 1bxr s ASN 33 Ca 0.10 -0.47 0.27 0.00 0.21 0.00 0.00 52.86 52.97 1bxr s ASN 33 Cb -0.10 -1.02 1.06 0.00 -0.55 0.00 0.00 41.25 40.63 1bxr s ASN 33 CO -0.01 0.16 1.74 0.35 -2.79 0.00 0.00 177.10 176.56 1bxr n THR 34 N 3.33 0.04 -1.72 -5.21 -2.24 -0.73 -1.47 114.28 106.28 1bxr n THR 34 Ca -0.19 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1bxr n THR 34 Cb 0.53 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 1bxr n THR 34 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxr s SER 35 N -1.91 6.47 0.39 3.42 0.15 -1.26 -4.74 113.70 116.23 1bxr s SER 35 Ca 0.37 2.64 0.26 0.00 0.70 0.00 0.00 55.95 59.92 1bxr s SER 35 Cb 0.20 -2.54 0.73 0.00 -1.71 0.00 0.00 66.02 62.70 1bxr s SER 35 CO 0.32 -1.03 1.74 0.24 1.20 0.00 0.00 173.24 175.71 1bxr h MET 36 N 10.04 0.00 -4.67 5.44 2.86 -1.98 -3.42 114.93 123.20 1bxr h MET 36 Ca -0.48 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.92 1bxr h MET 36 Cb 1.23 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.73 1bxr h MET 36 CO 0.94 0.00 -0.71 0.95 1.06 0.00 0.00 176.91 179.16 1bxr s THR 37 N -3.29 0.70 0.00 2.22 -4.23 -1.26 -4.97 115.64 104.80 1bxr s THR 37 Ca 0.06 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1bxr s THR 37 Cb 0.08 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1bxr s THR 37 CO 0.60 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1bxr n GLY 38 N 0.25 0.96 0.36 3.99 0.00 -1.26 -4.87 105.19 104.63 1bxr n GLY 38 Ca -0.14 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1bxr n GLY 38 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bxr h TYR 39 N 0.00 0.88 0.13 1.61 -0.00 -1.93 -1.68 116.97 115.98 1bxr h TYR 39 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1bxr h TYR 39 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 36.73 36.52 1bxr h TYR 39 CO 0.00 0.46 -0.06 0.37 -0.00 0.00 0.00 178.16 178.93 1bxr h GLN 40 N 0.87 -0.17 -0.08 0.10 4.15 -1.92 -1.06 115.11 117.00 1bxr h GLN 40 Ca 0.35 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.80 1bxr h GLN 40 Cb 0.24 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1bxr h GLN 40 CO -0.12 0.13 0.06 0.93 -1.93 0.00 0.00 178.83 177.89 1bxr h GLU 41 N -0.46 0.00 -0.04 1.69 3.07 -1.42 -1.55 114.58 115.86 1bxr h GLU 41 Ca -0.02 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.70 1bxr h GLU 41 Cb 0.37 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1bxr h GLU 41 CO 0.03 0.00 -0.54 0.82 -1.40 0.00 0.00 179.01 177.92 1bxr h ILE 42 N 0.00 1.40 -0.95 3.13 2.04 -0.96 -3.07 117.51 119.11 1bxr h ILE 42 Ca 0.04 -1.95 0.01 0.00 1.00 0.00 0.00 64.86 63.95 1bxr h ILE 42 Cb 0.15 2.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1bxr h ILE 42 CO -0.00 0.57 0.61 -0.07 0.00 0.00 0.00 178.15 179.27 1bxr h LEU 43 N -0.03 1.11 -1.04 1.44 3.38 -0.56 -2.44 115.31 117.16 1bxr h LEU 43 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1bxr h LEU 43 Cb 1.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1bxr h LEU 43 CO 0.11 0.81 0.00 0.35 0.09 0.00 0.00 178.44 179.80 1bxr n THR 44 N -4.38 0.23 -2.62 0.22 -2.24 -0.64 -0.83 114.28 104.02 1bxr n THR 44 Ca 0.11 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1bxr n THR 44 Cb 0.03 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1bxr n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bxr s ASP 45 N -1.47 7.12 0.62 3.42 -1.08 -0.92 -3.49 116.67 120.88 1bxr s ASP 45 Ca 0.30 1.52 0.40 0.00 -0.52 0.00 0.00 52.55 54.25 1bxr s ASP 45 Cb 0.16 -2.55 2.05 0.00 -1.46 0.00 0.00 42.92 41.13 1bxr s ASP 45 CO 0.24 -0.60 2.25 -0.65 0.52 0.00 0.00 175.17 176.93 1bxr h PRO 46 N 7.43 0.00 0.00 4.34 0.11 -1.88 -1.39 132.00 140.61 1bxr h PRO 46 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bxr h PRO 46 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1bxr h PRO 46 CO 0.92 0.01 0.00 0.77 -0.21 0.00 0.00 178.00 179.50 1bxr h SER 47 N 0.00 0.00 -0.33 -2.05 0.02 -1.85 -2.38 113.55 106.97 1bxr h SER 47 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bxr h SER 47 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1bxr h SER 47 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1bxr n TYR 48 N -2.32 0.43 -1.64 3.45 4.01 -0.52 -4.34 117.16 116.22 1bxr n TYR 48 Ca 0.00 -0.22 -0.49 0.00 -0.16 0.00 0.00 57.90 57.04 1bxr n TYR 48 Cb 0.14 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 1bxr n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bxr n SER 49 N 0.56 2.52 -1.60 7.72 2.88 -0.89 -1.39 113.62 123.42 1bxr n SER 49 Ca 0.14 1.09 -0.15 0.00 -1.33 0.00 0.00 58.87 58.62 1bxr n SER 49 Cb 0.33 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.45 1bxr n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bxr n ARG 50 N 3.23 -1.16 -4.43 -1.46 1.74 -1.25 -4.77 116.66 108.55 1bxr n ARG 50 Ca 0.18 0.78 -0.21 0.00 -0.77 0.00 0.00 57.85 57.83 1bxr n ARG 50 Cb 0.25 -5.07 -0.14 0.00 -1.02 0.00 0.00 32.46 26.48 1bxr n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1bxr s GLN 51 N -4.48 0.98 -0.36 5.56 -0.21 -0.48 -1.75 119.66 118.92 1bxr s GLN 51 Ca 0.00 -0.68 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1bxr s GLN 51 Cb 0.00 -0.98 -0.00 0.00 1.00 0.00 0.00 33.01 33.03 1bxr s GLN 51 CO 0.00 0.25 0.25 0.42 -2.12 0.00 0.00 175.29 174.09 1bxr s ILE 52 N -0.70 5.16 -0.17 1.08 1.01 0.44 0.16 121.20 128.18 1bxr s ILE 52 Ca 0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1bxr s ILE 52 Cb -0.07 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1bxr s ILE 52 CO 0.01 -0.12 0.60 -0.69 0.00 0.00 0.00 174.94 174.74 1bxr s VAL 53 N 1.69 5.06 -0.14 2.92 1.01 -0.75 -1.61 120.40 128.57 1bxr s VAL 53 Ca 0.05 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 1bxr s VAL 53 Cb -0.18 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1bxr s VAL 53 CO 0.10 0.17 0.01 -0.89 0.00 0.00 0.00 175.10 174.49 1bxr s THR 54 N 1.53 4.34 -0.19 3.92 2.01 0.12 -0.15 115.64 127.22 1bxr s THR 54 Ca 0.29 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1bxr s THR 54 Cb -0.16 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1bxr s THR 54 CO 0.11 0.53 0.03 -0.76 -0.69 0.00 0.00 174.62 173.83 1bxr s LEU 55 N -0.10 3.51 0.28 4.42 1.43 -0.84 -0.96 118.68 126.42 1bxr s LEU 55 Ca 0.04 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1bxr s LEU 55 Cb -0.13 -1.89 0.38 0.00 0.03 0.00 0.00 46.19 44.59 1bxr s LEU 55 CO 0.02 0.12 1.63 0.71 0.23 0.00 0.00 176.35 179.06 1bxr h THR 56 N 5.14 1.39 -2.71 5.49 1.35 -1.58 -3.43 112.91 118.56 1bxr h THR 56 Ca -0.35 -1.91 -0.55 0.00 -0.55 0.00 0.00 66.41 63.05 1bxr h THR 56 Cb 1.18 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 1bxr h THR 56 CO 0.65 0.55 1.01 -0.47 -0.25 0.00 0.00 175.52 177.01 1bxr s TYR 57 N -3.78 2.30 0.21 4.73 5.04 -1.26 -4.93 117.35 119.66 1bxr s TYR 57 Ca -0.03 0.42 -0.09 0.00 -2.44 0.00 0.00 57.07 54.93 1bxr s TYR 57 Cb 0.13 -3.83 0.30 0.00 0.35 0.00 0.00 41.96 38.91 1bxr s TYR 57 CO 0.77 -3.34 1.73 -1.35 -1.34 0.00 0.00 175.55 172.01 1bxr h PRO 58 N 8.90 0.35 -4.62 4.97 0.10 -1.95 -3.40 132.00 136.35 1bxr h PRO 58 Ca -0.38 -0.02 -0.70 0.00 0.10 0.00 0.00 66.00 65.00 1bxr h PRO 58 Cb 1.17 -0.08 -0.20 0.00 0.10 0.00 0.00 31.00 31.99 1bxr h PRO 58 CO 0.94 0.23 -0.47 -1.01 0.10 0.00 0.00 178.00 177.80 1bxr s HIS 59 N -6.09 3.23 -0.19 0.65 3.76 -1.26 -1.01 115.29 114.38 1bxr s HIS 59 Ca -0.13 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1bxr s HIS 59 Cb 0.17 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.38 1bxr s HIS 59 CO 0.74 -0.48 -0.18 0.42 -0.85 0.00 0.00 174.74 174.39 1bxr s ILE 60 N 1.68 2.16 0.00 0.60 -1.09 -1.00 -4.63 121.20 118.93 1bxr s ILE 60 Ca 0.05 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1bxr s ILE 60 Cb -0.18 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1bxr s ILE 60 CO 0.10 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1bxr n GLY 61 N 4.61 0.67 0.41 6.18 0.00 -1.26 -4.23 105.19 111.57 1bxr n GLY 61 Ca -0.20 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.06 1bxr n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bxr h ASN 62 N 0.00 0.44 -0.40 1.61 2.35 -1.82 -1.76 115.58 116.00 1bxr h ASN 62 Ca 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1bxr h ASN 62 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bxr h ASN 62 CO 0.00 0.05 0.00 1.33 -1.65 0.00 0.00 177.43 177.16 1bxr n VAL 63 N -4.67 1.15 -4.72 2.81 0.24 -1.26 0.23 118.33 112.12 1bxr n VAL 63 Ca 0.27 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1bxr n VAL 63 Cb 0.94 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1bxr n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 64 N 0.58 1.58 3.26 7.63 0.00 -0.66 -3.86 105.19 113.73 1bxr n GLY 64 Ca 0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1bxr n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bxr s THR 65 N 0.00 0.07 -0.03 2.61 -4.23 -0.20 -4.73 115.64 109.13 1bxr s THR 65 Ca 0.00 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 1bxr s THR 65 Cb 0.00 -2.03 0.09 0.00 1.34 0.00 0.00 72.50 71.89 1bxr s THR 65 CO 0.00 -0.30 0.78 0.54 -0.54 0.00 0.00 174.62 175.10 1bxr s ASN 66 N -3.03 -0.52 0.29 3.99 2.20 -1.26 0.11 114.94 116.72 1bxr s ASN 66 Ca 0.23 0.37 -0.01 0.00 -0.94 0.00 0.00 52.86 52.51 1bxr s ASN 66 Cb 0.05 0.47 0.44 0.00 -2.00 0.00 0.00 41.25 40.20 1bxr s ASN 66 CO 0.03 -0.62 1.88 0.44 -2.94 0.00 0.00 177.10 175.89 1bxr h ASP 67 N 2.51 0.81 -0.04 3.54 3.32 -1.98 -1.78 116.42 122.81 1bxr h ASP 67 Ca -0.25 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.71 1bxr h ASP 67 Cb 1.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1bxr h ASP 67 CO 0.35 0.72 0.04 0.00 -1.72 0.00 0.00 179.24 178.63 1bxr h ALA 68 N 1.41 1.62 -0.31 3.45 0.00 -1.97 -1.37 119.26 122.09 1bxr h ALA 68 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1bxr h ALA 68 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bxr h ALA 68 CO -0.02 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 1bxr n ASP 69 N -3.90 3.07 -4.73 0.00 8.00 -0.67 -4.84 116.55 113.48 1bxr n ASP 69 Ca -0.02 -2.36 -0.35 0.00 0.71 0.00 0.00 54.79 52.77 1bxr n ASP 69 Cb 0.13 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 1bxr n ASP 69 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1bxr s GLU 70 N -1.80 4.20 0.00 -1.24 2.02 -0.52 -3.12 118.70 118.24 1bxr s GLU 70 Ca 0.27 -0.15 0.22 0.00 0.02 0.00 0.00 54.97 55.33 1bxr s GLU 70 Cb 0.19 -3.42 0.56 0.00 0.10 0.00 0.00 34.13 31.56 1bxr s GLU 70 CO 0.10 0.29 1.46 0.39 0.02 0.00 0.00 175.26 177.52 1bxr n GLU 71 N 3.53 2.14 -3.77 1.61 -0.58 -1.26 -4.86 120.64 117.45 1bxr n GLU 71 Ca -0.15 -1.72 -0.01 0.00 -0.42 0.00 0.00 57.16 54.86 1bxr n GLU 71 Cb 0.52 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1bxr n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1bxr s SER 72 N -1.54 -0.07 0.64 1.62 1.04 -1.23 -2.08 113.70 112.09 1bxr s SER 72 Ca 0.35 -0.34 0.40 0.00 0.48 0.00 0.00 55.95 56.85 1bxr s SER 72 Cb 0.20 0.32 2.25 0.00 0.10 0.00 0.00 66.02 68.89 1bxr s SER 72 CO 0.29 -0.61 2.34 0.77 0.98 0.00 0.00 173.24 177.01 1bxr h SER 73 N 2.00 0.00 -5.27 7.02 4.64 -1.92 -3.45 113.55 116.57 1bxr h SER 73 Ca -0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.92 1bxr h SER 73 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1bxr h SER 73 CO 0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1bxr s GLN 74 N -4.30 1.93 -0.29 4.77 -2.07 -1.26 -5.11 119.66 113.33 1bxr s GLN 74 Ca -0.05 -1.51 -0.25 0.00 -1.82 0.00 0.00 55.36 51.74 1bxr s GLN 74 Cb 0.14 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.58 1bxr s GLN 74 CO 0.45 -0.85 0.85 0.08 -1.32 0.00 0.00 175.29 174.51 1bxr s VAL 75 N -3.07 4.76 -0.17 3.63 1.01 -1.26 -4.39 120.40 120.90 1bxr s VAL 75 Ca 0.23 1.40 0.21 0.00 0.00 0.00 0.00 61.98 63.81 1bxr s VAL 75 Cb -0.02 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1bxr s VAL 75 CO 0.14 -0.24 0.87 1.41 0.00 0.00 0.00 175.10 177.29 1bxr n HIS 76 N 6.26 0.82 -1.88 5.22 -0.00 -0.01 -4.93 115.22 120.70 1bxr n HIS 76 Ca 0.06 0.25 -0.39 0.00 -0.00 0.00 0.00 57.72 57.63 1bxr n HIS 76 Cb 0.48 -0.94 0.01 0.00 -0.00 0.00 0.00 29.99 29.54 1bxr n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bxr s ALA 77 N -3.23 3.17 0.18 -1.41 0.00 -1.03 -3.46 121.76 115.98 1bxr s ALA 77 Ca -0.03 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 1bxr s ALA 77 Cb 0.10 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.74 1bxr s ALA 77 CO 0.81 -1.11 1.60 0.37 0.00 0.00 0.00 175.76 177.43 1bxr h GLN 78 N 2.26 0.96 -2.87 0.00 5.75 -0.41 -3.47 115.11 117.34 1bxr h GLN 78 Ca -0.50 -0.38 0.06 0.00 -0.15 0.00 0.00 58.65 57.68 1bxr h GLN 78 Cb 1.27 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 1bxr h GLN 78 CO 0.61 1.04 0.32 0.20 -2.65 0.00 0.00 178.83 178.35 1bxr s GLY 79 N -3.72 0.10 -0.03 2.39 0.00 -1.24 -4.49 107.32 100.33 1bxr s GLY 79 Ca -0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.17 1bxr s GLY 79 CO 0.86 0.10 0.05 -2.27 0.00 0.00 0.00 173.10 171.83 1bxr s LEU 80 N -3.03 1.08 -0.17 0.66 2.96 -1.16 -1.81 118.68 117.20 1bxr s LEU 80 Ca 0.14 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 1bxr s LEU 80 Cb -0.05 0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.66 1bxr s LEU 80 CO 0.08 -0.12 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.12 1bxr s VAL 81 N 1.01 2.38 0.33 1.68 1.01 0.79 -1.24 120.40 126.37 1bxr s VAL 81 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1bxr s VAL 81 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1bxr s VAL 81 CO -0.03 0.52 0.15 0.27 0.00 0.00 0.00 175.10 176.00 1bxr s ILE 82 N 1.11 0.47 -0.19 2.22 -4.36 0.08 -2.00 121.20 118.54 1bxr s ILE 82 Ca 0.00 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1bxr s ILE 82 Cb -0.14 -2.50 -0.21 0.00 1.25 0.00 0.00 42.46 40.85 1bxr s ILE 82 CO -0.06 0.00 0.07 -1.14 0.24 0.00 0.00 174.94 174.04 1bxr n ARG 83 N -0.68 0.70 -3.74 0.37 3.00 -1.25 -2.93 116.66 112.14 1bxr n ARG 83 Ca -0.01 0.21 -0.12 0.00 -0.00 0.00 0.00 57.85 57.93 1bxr n ARG 83 Cb 0.65 -1.62 -0.12 0.00 0.00 0.00 0.00 32.46 31.37 1bxr n ARG 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1bxr s ASP 84 N -6.80 -0.32 -0.32 6.15 -1.08 -0.18 -1.64 116.67 112.49 1bxr s ASP 84 Ca -0.29 0.61 -0.10 0.00 -0.52 0.00 0.00 52.55 52.25 1bxr s ASP 84 Cb 0.08 0.53 -0.00 0.00 -1.46 0.00 0.00 42.92 42.06 1bxr s ASP 84 CO 0.68 -0.15 0.17 -0.22 0.52 0.00 0.00 175.17 176.17 1bxr s LEU 85 N 0.94 4.23 0.64 -1.34 2.96 -1.26 -2.38 118.68 122.47 1bxr s LEU 85 Ca -0.06 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1bxr s LEU 85 Cb -0.07 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1bxr s LEU 85 CO -0.07 -0.22 1.30 -2.16 -1.32 0.00 0.00 176.35 173.88 1bxr s PRO 86 N 1.61 2.58 0.22 0.98 0.04 -1.26 -4.92 135.00 134.26 1bxr s PRO 86 Ca 0.04 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1bxr s PRO 86 Cb -0.17 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 32.78 1bxr s PRO 86 CO 0.07 -1.58 1.83 -0.07 0.04 0.00 0.00 177.00 177.29 1bxr h LEU 87 N 0.59 0.70 -8.20 -3.56 4.07 -1.97 -3.43 115.31 103.50 1bxr h LEU 87 Ca -0.51 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.33 1bxr h LEU 87 Cb 1.34 -0.12 -0.16 0.00 1.08 0.00 0.00 40.66 42.79 1bxr h LEU 87 CO 0.53 0.45 -0.69 0.27 -1.08 0.00 0.00 178.44 177.93 1bxr s ILE 88 N -6.08 0.23 -0.04 1.22 -4.36 -1.26 -5.13 121.20 105.78 1bxr s ILE 88 Ca -0.13 -1.63 -0.16 0.00 -0.26 0.00 0.00 60.65 58.47 1bxr s ILE 88 Cb 0.17 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.56 1bxr s ILE 88 CO 0.77 -0.88 0.45 0.00 0.24 0.00 0.00 174.94 175.52 1bxr s ALA 89 N -3.37 3.60 -0.50 2.27 0.00 -1.26 -4.64 121.76 117.86 1bxr s ALA 89 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1bxr s ALA 89 Cb 0.04 -2.51 0.16 0.00 0.00 0.00 0.00 23.12 20.81 1bxr s ALA 89 CO -0.08 0.29 0.34 0.45 0.00 0.00 0.00 175.76 176.76 1bxr s SER 90 N -0.44 3.29 -0.25 0.00 0.15 0.63 -4.81 113.70 112.27 1bxr s SER 90 Ca 0.25 -3.08 -0.20 0.00 0.70 0.00 0.00 55.95 53.62 1bxr s SER 90 Cb -0.16 -1.00 0.07 0.00 -1.71 0.00 0.00 66.02 63.21 1bxr s SER 90 CO 0.13 -0.19 0.64 0.21 1.20 0.00 0.00 173.24 175.23 1bxr s ASN 91 N -0.21 -0.73 0.31 5.45 3.84 -1.26 -4.72 114.94 117.62 1bxr s ASN 91 Ca 0.24 1.32 0.21 0.00 0.21 0.00 0.00 52.86 54.85 1bxr s ASN 91 Cb -0.10 1.29 1.14 0.00 -0.55 0.00 0.00 41.25 43.03 1bxr s ASN 91 CO -0.10 -0.23 1.65 2.22 -2.79 0.00 0.00 177.10 177.85 1bxr n PHE 92 N 3.26 0.72 0.28 0.43 -1.74 -1.26 -1.55 117.46 117.60 1bxr n PHE 92 Ca -0.16 0.37 0.12 0.00 -0.56 0.00 0.00 57.45 57.22 1bxr n PHE 92 Cb 0.56 -1.10 0.04 0.00 1.52 0.00 0.00 39.48 40.51 1bxr n PHE 92 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1bxr n ARG 93 N -2.24 0.49 -1.72 3.97 1.74 -1.26 -4.94 116.66 112.70 1bxr n ARG 93 Ca -0.01 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 1bxr n ARG 93 Cb 0.04 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 29.71 1bxr n ARG 93 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1bxr n ASN 94 N -2.43 3.37 0.00 0.55 5.15 -0.60 -4.56 115.26 116.75 1bxr n ASN 94 Ca 0.01 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.16 1bxr n ASN 94 Cb 0.51 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1bxr n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bxr n THR 95 N 1.54 0.00 -3.65 -0.44 -2.24 0.30 -4.90 114.28 104.89 1bxr n THR 95 Ca 0.08 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1bxr n THR 95 Cb 0.35 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1bxr n THR 95 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bxr s GLU 96 N -0.37 0.23 0.86 -0.78 2.12 -1.21 -4.99 118.70 114.56 1bxr s GLU 96 Ca 0.00 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.57 1bxr s GLU 96 Cb 0.00 0.07 0.11 0.00 0.26 0.00 0.00 34.13 34.57 1bxr s GLU 96 CO 0.00 -0.04 1.15 0.16 -0.54 0.00 0.00 175.26 175.99 1bxr s ASP 97 N 0.84 3.40 0.15 -1.70 -4.77 -1.26 -1.04 116.67 112.29 1bxr s ASP 97 Ca -0.04 2.17 -0.16 0.00 -3.30 0.00 0.00 52.55 51.22 1bxr s ASP 97 Cb -0.04 -2.57 0.05 0.00 -1.09 0.00 0.00 42.92 39.28 1bxr s ASP 97 CO -0.12 -2.79 1.76 0.25 0.70 0.00 0.00 175.17 174.97 1bxr h LEU 98 N -1.45 0.17 -0.20 2.11 5.85 -1.85 -2.07 115.31 117.88 1bxr h LEU 98 Ca -0.44 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1bxr h LEU 98 Cb 1.27 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1bxr h LEU 98 CO 0.45 0.14 0.03 -1.28 -0.34 0.00 0.00 178.44 177.44 1bxr h SER 99 N 0.30 -0.00 -0.64 1.25 0.87 -1.92 -0.93 113.55 112.48 1bxr h SER 99 Ca 0.16 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1bxr h SER 99 Cb 0.11 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1bxr h SER 99 CO -0.15 0.03 0.39 0.28 -0.53 0.00 0.00 176.83 176.85 1bxr h SER 100 N 0.11 0.64 -0.76 6.23 0.02 -1.82 -0.71 113.55 117.26 1bxr h SER 100 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1bxr h SER 100 Cb 0.09 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1bxr h SER 100 CO -0.13 0.44 0.44 0.22 -1.14 0.00 0.00 176.83 176.67 1bxr h TYR 101 N 0.77 1.01 -0.40 3.45 3.20 -1.10 0.22 116.97 124.13 1bxr h TYR 101 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1bxr h TYR 101 Cb 0.03 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1bxr h TYR 101 CO -0.05 0.69 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.08 1bxr h LEU 102 N 1.04 0.70 -0.31 2.82 3.38 -0.66 -1.81 115.31 120.47 1bxr h LEU 102 Ca 0.27 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bxr h LEU 102 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1bxr h LEU 102 CO -0.05 0.85 0.16 0.11 0.09 0.00 0.00 178.44 179.60 1bxr h LYS 103 N 0.54 0.45 -1.00 1.13 1.57 -0.79 0.21 116.57 118.67 1bxr h LYS 103 Ca 0.11 -0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.05 1bxr h LYS 103 Cb 0.50 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.61 1bxr h LYS 103 CO 0.02 0.40 0.61 -0.09 -0.57 0.00 0.00 179.45 179.82 1bxr h ARG 104 N 0.38 0.64 -0.61 3.15 2.43 -0.74 0.19 114.38 119.82 1bxr h ARG 104 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1bxr h ARG 104 Cb 0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1bxr h ARG 104 CO -0.02 0.42 0.00 0.72 -1.51 0.00 0.00 179.97 179.59 1bxr n HIS 105 N -4.80 1.09 -4.08 2.20 8.25 -0.70 -4.94 115.22 112.24 1bxr n HIS 105 Ca 0.25 -0.45 -0.30 0.00 -0.26 0.00 0.00 57.72 56.96 1bxr n HIS 105 Cb 0.67 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1bxr n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bxr n ASN 106 N 0.91 -1.72 -4.71 0.41 3.02 0.67 -4.93 115.26 108.91 1bxr n ASN 106 Ca 0.20 -1.01 -0.35 0.00 -0.03 0.00 0.00 54.58 53.39 1bxr n ASN 106 Cb 0.67 -2.92 -0.08 0.00 -0.61 0.00 0.00 39.78 36.84 1bxr n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bxr s ILE 107 N -3.67 5.36 -0.14 2.41 -1.09 0.64 -4.77 121.20 119.94 1bxr s ILE 107 Ca 0.34 0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 58.64 1bxr s ILE 107 Cb -0.18 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1bxr s ILE 107 CO 0.91 0.42 1.01 -0.69 -1.23 0.00 0.00 174.94 175.36 1bxr s VAL 108 N 0.49 4.76 0.01 2.92 1.01 -1.26 0.11 120.40 128.45 1bxr s VAL 108 Ca 0.08 2.02 -0.03 0.00 0.00 0.00 0.00 61.98 64.05 1bxr s VAL 108 Cb -0.12 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1bxr s VAL 108 CO -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 175.10 175.08 1bxr s ALA 109 N 2.35 -0.05 -0.01 5.51 0.00 -1.26 -2.99 121.76 125.32 1bxr s ALA 109 Ca 0.47 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1bxr s ALA 109 Cb -0.17 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1bxr s ALA 109 CO 0.14 -0.16 -0.13 -1.50 0.00 0.00 0.00 175.76 174.11 1bxr s ILE 110 N -1.31 1.01 0.53 0.00 2.07 -0.37 -1.68 121.20 121.45 1bxr s ILE 110 Ca -0.14 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 1bxr s ILE 110 Cb -0.08 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1bxr s ILE 110 CO -0.00 0.26 0.04 0.00 -1.91 0.00 0.00 174.94 173.33 1bxr s ALA 111 N -0.34 4.29 -1.31 1.50 0.00 0.42 -0.74 121.76 125.59 1bxr s ALA 111 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1bxr s ALA 111 Cb -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1bxr s ALA 111 CO -0.00 -0.05 0.97 -0.25 0.00 0.00 0.00 175.76 176.43 1bxr n ASP 112 N -1.36 -6.03 -4.45 0.00 8.00 -0.65 -2.06 116.55 110.00 1bxr n ASP 112 Ca -0.20 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 54.63 1bxr n ASP 112 Cb 0.67 -4.69 -0.10 0.00 -0.02 0.00 0.00 41.12 36.97 1bxr n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1bxr s ILE 113 N -3.26 2.14 -1.25 0.53 -5.25 -1.20 -4.57 121.20 108.35 1bxr s ILE 113 Ca 0.48 -2.29 -0.20 0.00 -0.99 0.00 0.00 60.65 57.66 1bxr s ILE 113 Cb -0.21 -2.32 0.01 0.00 2.95 0.00 0.00 42.46 42.89 1bxr s ILE 113 CO 0.60 -0.40 1.81 -0.62 -1.79 0.00 0.00 174.94 174.53 1bxr s ASP 114 N -3.47 6.14 0.62 4.36 -1.08 -1.26 -4.43 116.67 117.56 1bxr s ASP 114 Ca 0.29 -2.12 0.38 0.00 -0.52 0.00 0.00 52.55 50.58 1bxr s ASP 114 Cb -0.01 -2.58 2.10 0.00 -1.46 0.00 0.00 42.92 40.96 1bxr s ASP 114 CO 0.13 -1.90 2.29 0.71 0.52 0.00 0.00 175.17 176.91 1bxr h THR 115 N 5.84 0.20 0.03 1.71 1.35 -1.93 -1.98 112.91 118.13 1bxr h THR 115 Ca 0.35 -0.09 -0.24 0.00 -0.55 0.00 0.00 66.41 65.89 1bxr h THR 115 Cb 0.90 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1bxr h THR 115 CO 1.37 0.01 -1.01 -0.09 -0.25 0.00 0.00 175.52 175.55 1bxr h ARG 116 N 0.00 0.39 -0.48 4.72 2.43 -1.92 -1.45 114.38 118.08 1bxr h ARG 116 Ca -0.00 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1bxr h ARG 116 Cb 0.07 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1bxr h ARG 116 CO 0.00 1.14 0.03 -0.22 -1.51 0.00 0.00 179.97 179.41 1bxr h LYS 117 N 0.20 0.83 0.02 0.20 3.64 -1.78 -0.00 116.57 119.68 1bxr h LYS 117 Ca -0.09 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1bxr h LYS 117 Cb 1.66 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1bxr h LYS 117 CO 0.17 0.86 -0.01 1.25 -2.27 0.00 0.00 179.45 179.45 1bxr h LEU 118 N 0.69 -0.02 -0.31 5.20 5.85 -1.43 0.14 115.31 125.43 1bxr h LEU 118 Ca 0.14 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1bxr h LEU 118 Cb 0.46 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1bxr h LEU 118 CO 0.02 0.01 0.08 0.74 -0.34 0.00 0.00 178.44 178.95 1bxr h THR 119 N -0.05 0.87 -0.69 1.05 2.02 -1.12 0.22 112.91 115.22 1bxr h THR 119 Ca -0.00 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1bxr h THR 119 Cb 0.04 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1bxr h THR 119 CO 0.00 0.04 0.46 0.03 0.37 0.00 0.00 175.52 176.42 1bxr h ARG 120 N 0.20 0.88 -0.21 6.66 3.08 -0.77 0.27 114.38 124.50 1bxr h ARG 120 Ca 0.14 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1bxr h ARG 120 Cb 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1bxr h ARG 120 CO -0.17 0.58 -0.35 1.25 -1.07 0.00 0.00 179.97 180.21 1bxr h LEU 121 N 0.91 0.67 -1.11 3.04 5.85 0.89 -1.57 115.31 123.99 1bxr h LEU 121 Ca 0.26 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1bxr h LEU 121 Cb -0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1bxr h LEU 121 CO -0.06 1.07 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.70 1bxr h LEU 122 N 0.29 0.19 -0.36 2.25 3.38 -0.22 -0.40 115.31 120.45 1bxr h LEU 122 Ca 0.02 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1bxr h LEU 122 Cb 0.94 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1bxr h LEU 122 CO 0.08 0.52 -0.18 -0.09 0.09 0.00 0.00 178.44 178.86 1bxr h ARG 123 N 0.16 0.76 0.15 1.13 2.43 -0.27 -1.29 114.38 117.45 1bxr h ARG 123 Ca 0.02 -0.33 -0.31 0.00 -0.81 0.00 0.00 59.98 58.55 1bxr h ARG 123 Cb 0.68 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1bxr h ARG 123 CO 0.05 0.95 -1.30 0.93 -1.51 0.00 0.00 179.97 179.09 1bxr h GLU 124 N 0.54 0.57 0.00 0.20 4.39 -1.12 -3.38 114.58 115.78 1bxr h GLU 124 Ca 0.08 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1bxr h GLU 124 Cb 0.73 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1bxr h GLU 124 CO 0.05 1.37 -1.20 1.63 -1.16 0.00 0.00 179.01 179.71 1bxr n LYS 125 N -3.75 0.79 0.00 2.33 5.02 -0.17 -5.10 118.16 117.28 1bxr n LYS 125 Ca -0.14 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1bxr n LYS 125 Cb 1.02 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1bxr n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bxr n GLY 126 N 1.43 1.21 3.60 0.72 0.00 -0.49 -4.98 105.19 106.68 1bxr n GLY 126 Ca 0.01 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1bxr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr n ALA 127 N 1.69 0.08 -2.57 4.61 0.00 -0.05 -4.57 120.51 119.70 1bxr n ALA 127 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 1bxr n ALA 127 Cb 0.00 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 1bxr n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bxr s GLN 128 N -1.93 0.82 0.34 0.00 -0.21 -1.25 -5.00 119.66 112.42 1bxr s GLN 128 Ca 0.62 -1.08 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 1bxr s GLN 128 Cb -0.58 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 1bxr s GLN 128 CO 0.57 0.11 0.60 -0.80 -2.12 0.00 0.00 175.29 173.64 1bxr s ASN 129 N -2.21 6.38 0.32 5.90 0.01 -1.26 -0.46 114.94 123.63 1bxr s ASN 129 Ca 0.02 0.69 -0.17 0.00 -0.71 0.00 0.00 52.86 52.70 1bxr s ASN 129 Cb -0.05 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.50 1bxr s ASN 129 CO 0.01 -0.29 0.70 -0.83 -1.51 0.00 0.00 177.10 175.18 1bxr s GLY 130 N -3.55 0.29 0.02 0.66 0.00 0.13 -0.93 107.32 103.94 1bxr s GLY 130 Ca 0.44 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.52 1bxr s GLY 130 CO 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 173.10 173.08 1bxr s ILE 132 N -1.11 2.56 -0.07 0.00 1.01 0.39 -0.58 121.20 123.41 1bxr s ILE 132 Ca -0.09 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1bxr s ILE 132 Cb -0.08 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1bxr s ILE 132 CO -0.00 0.55 -0.25 -0.63 0.00 0.00 0.00 174.94 174.61 1bxr s ILE 133 N 0.24 2.03 -0.07 2.92 1.01 0.37 -0.42 121.20 127.29 1bxr s ILE 133 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1bxr s ILE 133 Cb -0.16 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1bxr s ILE 133 CO 0.07 0.56 -0.04 0.00 0.00 0.00 0.00 174.94 175.53 1bxr s ALA 134 N -0.05 0.83 0.00 9.38 0.00 0.29 -0.43 121.76 131.78 1bxr s ALA 134 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1bxr s ALA 134 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1bxr s ALA 134 CO 0.05 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1bxr n GLY 135 N 4.56 -1.33 0.19 0.00 0.00 -0.64 0.99 105.19 108.96 1bxr n GLY 135 Ca -0.16 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 1bxr n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bxr h ASP 136 N 0.00 -0.77 -2.52 1.61 3.32 -1.95 -3.34 116.42 112.76 1bxr h ASP 136 Ca 0.00 0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.55 1bxr h ASP 136 Cb 0.00 0.31 -0.40 0.00 0.22 0.00 0.00 39.33 39.46 1bxr h ASP 136 CO 0.00 -0.18 -0.80 0.59 -1.72 0.00 0.00 179.24 177.13 1bxr n ASN 137 N -3.81 1.45 -4.61 6.45 4.13 -1.26 -4.72 115.26 112.89 1bxr n ASN 137 Ca -0.02 -2.87 -0.51 0.00 1.68 0.00 0.00 54.58 52.86 1bxr n ASN 137 Cb 0.15 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.67 1bxr n ASN 137 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1bxr n PRO 138 N 2.01 1.53 -2.79 3.52 -0.02 -1.25 -4.90 135.00 133.09 1bxr n PRO 138 Ca 0.25 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 1bxr n PRO 138 Cb 0.43 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1bxr n PRO 138 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bxr s ASP 139 N 5.17 6.61 0.19 2.55 2.15 -1.26 -4.93 116.67 127.15 1bxr s ASP 139 Ca 1.00 0.41 -0.10 0.00 0.43 0.00 0.00 52.55 54.29 1bxr s ASP 139 Cb -0.84 -2.47 0.10 0.00 -0.30 0.00 0.00 42.92 39.42 1bxr s ASP 139 CO 0.54 -0.96 1.75 0.00 -0.17 0.00 0.00 175.17 176.33 1bxr h ALA 140 N 8.75 0.87 0.00 3.66 0.00 -1.99 -1.58 119.26 128.97 1bxr h ALA 140 Ca -0.23 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1bxr h ALA 140 Cb 1.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bxr h ALA 140 CO 1.01 0.49 -0.40 0.00 0.00 0.00 0.00 179.25 180.35 1bxr h ALA 141 N 1.12 1.22 0.01 0.00 0.00 -1.98 0.24 119.26 119.86 1bxr h ALA 141 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bxr h ALA 141 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bxr h ALA 141 CO -0.02 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 180.97 1bxr h LEU 142 N 0.00 -0.01 -0.56 0.00 5.85 -1.92 -0.64 115.31 118.03 1bxr h LEU 142 Ca -0.00 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.31 1bxr h LEU 142 Cb 0.76 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 1bxr h LEU 142 CO 0.05 0.48 0.19 0.00 -0.34 0.00 0.00 178.44 178.83 1bxr h ALA 143 N 0.46 0.69 -0.98 1.25 0.00 -1.00 0.17 119.26 119.86 1bxr h ALA 143 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bxr h ALA 143 Cb 0.50 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1bxr h ALA 143 CO 0.00 -0.22 0.64 1.25 0.00 0.00 0.00 179.25 180.93 1bxr h LEU 144 N 0.36 1.07 0.68 0.00 5.85 -0.44 0.11 115.31 122.95 1bxr h LEU 144 Ca 0.28 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1bxr h LEU 144 Cb 0.33 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1bxr h LEU 144 CO -0.29 0.73 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.99 1bxr h GLU 145 N 1.24 -1.06 -0.68 1.25 4.81 0.90 -1.30 114.58 119.72 1bxr h GLU 145 Ca 0.39 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.84 1bxr h GLU 145 Cb 0.01 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 29.53 1bxr h GLU 145 CO -0.12 -0.71 0.14 0.87 -0.73 0.00 0.00 179.01 178.46 1bxr h LYS 146 N -1.10 0.24 -0.71 1.92 1.57 -0.75 0.27 116.57 118.01 1bxr h LYS 146 Ca -0.09 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1bxr h LYS 146 Cb 0.90 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1bxr h LYS 146 CO 0.06 0.16 0.26 0.00 -0.57 0.00 0.00 179.45 179.36 1bxr h ALA 147 N 1.57 0.93 0.00 3.86 0.00 -0.61 -2.02 119.26 122.99 1bxr h ALA 147 Ca 0.38 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1bxr h ALA 147 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1bxr h ALA 147 CO -0.48 0.57 -0.42 0.00 0.00 0.00 0.00 179.25 178.92 1bxr h ARG 148 N 1.03 0.00 0.00 0.00 3.08 0.10 -2.91 114.38 115.68 1bxr h ARG 148 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1bxr h ARG 148 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1bxr h ARG 148 CO -0.01 0.42 -0.13 0.00 -1.07 0.00 0.00 179.97 179.18 1bxr h ALA 149 N 1.58 0.93 -2.02 0.04 0.00 -0.17 -3.46 119.26 116.16 1bxr h ALA 149 Ca -0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1bxr h ALA 149 Cb 0.78 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.61 1bxr h ALA 149 CO 0.05 0.11 0.76 0.34 0.00 0.00 0.00 179.25 180.51 1bxr n PHE 150 N -3.10 2.06 0.08 0.00 7.35 -0.79 -4.85 117.46 118.20 1bxr n PHE 150 Ca 0.03 0.34 0.02 0.00 -0.76 0.00 0.00 57.45 57.08 1bxr n PHE 150 Cb 0.57 -2.50 0.36 0.00 0.35 0.00 0.00 39.48 38.26 1bxr n PHE 150 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1bxr h PRO 151 N 6.19 0.34 0.00 -7.13 0.10 -1.90 -3.49 132.00 126.11 1bxr h PRO 151 Ca -0.46 -0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.56 1bxr h PRO 151 Cb 1.28 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.33 1bxr h PRO 151 CO 0.87 0.43 0.00 0.41 0.10 0.00 0.00 178.00 179.81 1bxr n GLY 152 N -0.90 1.19 0.17 -0.55 0.00 -1.26 -4.81 105.19 99.04 1bxr n GLY 152 Ca 0.00 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.40 1bxr n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bxr h LEU 153 N 0.00 0.00 -9.30 0.99 3.38 -1.94 -3.41 115.31 105.02 1bxr h LEU 153 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1bxr h LEU 153 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1bxr h LEU 153 CO 0.00 0.16 1.23 -3.20 0.09 0.00 0.00 178.44 176.72 1bxr n ASN 154 N -3.00 3.92 -0.03 -0.43 4.05 -1.26 -0.28 115.26 118.23 1bxr n ASN 154 Ca 0.01 0.86 -0.00 0.00 0.45 0.00 0.00 54.58 55.90 1bxr n ASN 154 Cb 0.61 -1.49 -0.00 0.00 1.23 0.00 0.00 39.78 40.12 1bxr n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bxr n GLY 155 N 4.65 0.45 3.68 8.20 0.00 -1.26 -5.01 105.19 115.89 1bxr n GLY 155 Ca 0.22 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1bxr n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1bxr s MET 156 N -0.51 4.17 -0.46 1.61 0.00 0.62 -4.83 119.30 119.89 1bxr s MET 156 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 55.69 55.55 1bxr s MET 156 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 34.83 31.35 1bxr s MET 156 CO 0.00 0.04 0.82 0.34 0.00 0.00 0.00 175.02 176.22 1bxr s ASP 157 N 0.93 6.41 -0.02 1.11 -1.08 -1.26 -1.19 116.67 121.57 1bxr s ASP 157 Ca 0.16 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.21 1bxr s ASP 157 Cb -0.14 -2.40 -0.22 0.00 -1.46 0.00 0.00 42.92 38.70 1bxr s ASP 157 CO 0.06 -0.97 0.36 0.18 0.52 0.00 0.00 175.17 175.32 1bxr n LEU 158 N 6.85 0.08 -0.34 -1.34 4.77 -1.26 -4.48 117.00 121.27 1bxr n LEU 158 Ca 0.03 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1bxr n LEU 158 Cb 0.48 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.76 1bxr n LEU 158 CO 0.60 0.02 1.27 0.00 -1.33 0.00 0.00 177.39 177.95 1bxr h ALA 159 N 1.43 1.42 0.00 -1.18 0.00 -1.81 0.19 119.26 119.31 1bxr h ALA 159 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 159 Cb 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bxr h ALA 159 CO 0.00 0.46 0.00 1.57 0.00 0.00 0.00 179.25 181.28 1bxr h LYS 160 N 1.16 0.00 0.12 0.00 2.10 -1.92 -1.23 116.57 116.81 1bxr h LYS 160 Ca 0.40 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.77 1bxr h LYS 160 Cb 0.10 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1bxr h LYS 160 CO -0.14 0.00 -1.22 0.93 -2.00 0.00 0.00 179.45 177.02 1bxr h GLU 161 N 0.00 0.37 0.00 0.07 4.39 -0.88 -3.37 114.58 115.16 1bxr h GLU 161 Ca 0.00 -0.56 -0.05 0.00 0.34 0.00 0.00 59.36 59.09 1bxr h GLU 161 Cb 0.51 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1bxr h GLU 161 CO 0.00 1.24 -1.59 1.33 -1.16 0.00 0.00 179.01 178.84 1bxr n VAL 162 N -3.62 0.48 -0.72 3.13 0.24 -0.83 -5.01 118.33 111.99 1bxr n VAL 162 Ca -0.10 -0.57 -0.32 0.00 -2.04 0.00 0.00 64.34 61.31 1bxr n VAL 162 Cb 1.00 -0.25 0.15 0.00 -1.47 0.00 0.00 33.84 33.27 1bxr n VAL 162 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1bxr n THR 163 N -2.53 0.00 -2.05 3.34 5.66 -0.48 -4.74 114.28 113.48 1bxr n THR 163 Ca -0.05 -0.23 -0.32 0.00 -3.05 0.00 0.00 64.05 60.40 1bxr n THR 163 Cb 0.64 -0.69 0.01 0.00 -1.55 0.00 0.00 70.33 68.74 1bxr n THR 163 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1bxr s THR 164 N -2.37 3.97 -0.08 1.09 -1.32 -1.26 -4.96 115.64 110.70 1bxr s THR 164 Ca 0.59 0.90 -0.10 0.00 -1.21 0.00 0.00 61.69 61.86 1bxr s THR 164 Cb -0.19 -3.45 -0.07 0.00 -1.51 0.00 0.00 72.50 67.28 1bxr s THR 164 CO 0.66 -0.58 0.38 0.00 -2.21 0.00 0.00 174.62 172.87 1bxr h ALA 165 N 0.39 -0.18 -1.46 11.08 0.00 -1.98 -3.39 119.26 123.73 1bxr h ALA 165 Ca -0.46 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 53.78 1bxr h ALA 165 Cb 1.21 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1bxr h ALA 165 CO 0.58 -0.18 -0.44 -1.21 0.00 0.00 0.00 179.25 177.99 1bxr s GLU 166 N -2.38 2.32 0.43 0.00 2.02 -1.26 -4.83 118.70 115.00 1bxr s GLU 166 Ca -0.06 -1.78 -0.08 0.00 0.02 0.00 0.00 54.97 53.07 1bxr s GLU 166 Cb -0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1bxr s GLU 166 CO 0.20 -0.19 0.77 0.00 0.02 0.00 0.00 175.26 176.06 1bxr s ALA 167 N -2.58 3.39 0.22 5.21 0.00 -1.26 -4.53 121.76 122.19 1bxr s ALA 167 Ca 0.42 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1bxr s ALA 167 Cb 0.01 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1bxr s ALA 167 CO 0.24 -0.15 0.53 1.52 0.00 0.00 0.00 175.76 177.89 1bxr s TYR 168 N -2.52 0.01 -0.14 0.00 1.13 0.11 -4.96 117.35 110.98 1bxr s TYR 168 Ca 0.49 -0.37 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 1bxr s TYR 168 Cb -0.10 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1bxr s TYR 168 CO 0.37 -0.97 0.14 0.45 -2.51 0.00 0.00 175.55 173.04 1bxr s SER 169 N -2.92 6.36 -0.14 -0.18 0.15 -1.26 0.21 113.70 115.93 1bxr s SER 169 Ca 0.13 0.43 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1bxr s SER 169 Cb -0.01 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1bxr s SER 169 CO 0.01 0.36 -0.14 0.86 1.20 0.00 0.00 173.24 175.53 1bxr s TRP 170 N -0.72 2.13 -0.03 3.44 -0.11 -0.32 -4.95 118.94 118.38 1bxr s TRP 170 Ca 0.14 -1.16 0.14 0.00 1.22 0.00 0.00 56.10 56.43 1bxr s TRP 170 Cb -0.12 -1.56 0.24 0.00 -1.50 0.00 0.00 33.47 30.53 1bxr s TRP 170 CO 0.03 -0.63 1.10 0.25 -4.62 0.00 0.00 176.95 173.08 1bxr n THR 171 N 4.67 0.36 -3.94 5.86 -2.24 -1.26 -2.20 114.28 115.52 1bxr n THR 171 Ca -0.17 -0.91 -0.35 0.00 -2.27 0.00 0.00 64.05 60.35 1bxr n THR 171 Cb 0.50 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 1bxr n THR 171 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bxr s GLN 172 N -0.54 3.90 0.00 -0.78 0.74 -1.26 0.06 119.66 121.79 1bxr s GLN 172 Ca 0.21 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.33 1bxr s GLN 172 Cb 0.22 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 31.10 1bxr s GLN 172 CO -0.08 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 1bxr n GLY 173 N 3.24 0.92 3.78 2.59 0.00 -1.26 -4.07 105.19 110.39 1bxr n GLY 173 Ca -0.17 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1bxr n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bxr s SER 174 N -1.00 4.73 0.50 1.61 0.01 -1.25 -4.31 113.70 113.99 1bxr s SER 174 Ca 0.00 1.71 -0.17 0.00 1.31 0.00 0.00 55.95 58.80 1bxr s SER 174 Cb 0.00 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1bxr s SER 174 CO 0.00 -1.87 0.98 0.86 0.41 0.00 0.00 173.24 173.62 1bxr s TRP 175 N -2.96 3.43 0.02 2.43 -0.00 -1.26 -3.98 118.94 116.62 1bxr s TRP 175 Ca 0.60 1.48 0.00 0.00 -0.00 0.00 0.00 56.10 58.19 1bxr s TRP 175 Cb -0.16 -2.80 -0.02 0.00 -0.00 0.00 0.00 33.47 30.49 1bxr s TRP 175 CO 0.56 -0.33 -0.04 0.95 -0.00 0.00 0.00 176.95 178.09 1bxr s THR 176 N -2.56 0.18 0.23 5.86 -4.23 -0.09 -4.95 115.64 110.08 1bxr s THR 176 Ca 0.59 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1bxr s THR 176 Cb -0.10 -0.31 0.18 0.00 1.34 0.00 0.00 72.50 73.62 1bxr s THR 176 CO 0.29 -0.46 1.77 0.25 -0.54 0.00 0.00 174.62 175.92 1bxr h LEU 177 N 4.68 0.41 0.19 4.79 5.85 -1.99 0.91 115.31 130.16 1bxr h LEU 177 Ca -0.32 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1bxr h LEU 177 Cb 1.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1bxr h LEU 177 CO 0.41 0.22 -0.09 0.74 -0.34 0.00 0.00 178.44 179.38 1bxr h THR 178 N 0.56 0.88 0.00 1.05 2.02 -2.04 -3.35 112.91 112.02 1bxr h THR 178 Ca 0.36 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1bxr h THR 178 Cb 0.43 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1bxr h THR 178 CO -0.30 0.19 -1.03 0.61 0.37 0.00 0.00 175.52 175.36 1bxr n GLY 179 N 0.15 -1.05 7.00 2.16 0.00 -1.17 -5.08 105.19 107.21 1bxr n GLY 179 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1bxr n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 180 N 1.47 0.07 3.73 -0.02 0.00 0.32 -4.70 105.19 106.05 1bxr n GLY 180 Ca 0.03 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1bxr n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 181 N 0.00 4.42 0.86 0.99 1.43 -1.26 -0.91 118.68 124.21 1bxr s LEU 181 Ca 0.00 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1bxr s LEU 181 Cb 0.00 -3.34 0.11 0.00 0.03 0.00 0.00 46.19 42.99 1bxr s LEU 181 CO 0.00 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.43 1bxr s PRO 182 N 0.32 1.51 0.17 1.29 0.04 -1.26 -4.99 135.00 132.08 1bxr s PRO 182 Ca 0.43 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1bxr s PRO 182 Cb -0.21 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1bxr s PRO 182 CO 0.24 -2.11 1.04 -1.14 0.04 0.00 0.00 177.00 175.08 1bxr s GLN 183 N -4.90 4.66 0.34 4.56 0.74 -1.26 -4.74 119.66 119.05 1bxr s GLN 183 Ca 0.63 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 57.38 1bxr s GLN 183 Cb -0.18 -3.30 -0.12 0.00 1.10 0.00 0.00 33.01 30.51 1bxr s GLN 183 CO 0.57 0.17 1.43 0.00 -0.55 0.00 0.00 175.29 176.91 1bxr n ALA 184 N 2.31 1.91 -1.79 1.58 0.00 -1.26 -4.76 120.51 118.51 1bxr n ALA 184 Ca 0.02 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 1bxr n ALA 184 Cb 0.47 -2.36 0.06 0.00 0.00 0.00 0.00 19.45 17.63 1bxr n ALA 184 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bxr s LYS 185 N -1.63 2.54 0.44 0.00 1.02 0.11 -4.93 119.74 117.29 1bxr s LYS 185 Ca 0.57 0.48 -0.09 0.00 0.02 0.00 0.00 55.97 56.95 1bxr s LYS 185 Cb -0.53 -1.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1bxr s LYS 185 CO 0.60 -1.27 0.79 0.15 -0.92 0.00 0.00 175.35 174.70 1bxr s LYS 186 N -5.32 3.70 0.43 1.68 3.01 -1.26 -4.79 119.74 117.20 1bxr s LYS 186 Ca 0.59 0.42 0.21 0.00 -1.01 0.00 0.00 55.97 56.18 1bxr s LYS 186 Cb -0.12 -2.37 0.97 0.00 -1.01 0.00 0.00 37.83 35.31 1bxr s LYS 186 CO 0.52 -0.12 1.87 0.93 0.51 0.00 0.00 175.35 179.07 1bxr h GLU 187 N 0.87 0.00 -0.12 1.68 5.08 -1.98 -1.44 114.58 118.67 1bxr h GLU 187 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1bxr h GLU 187 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1bxr h GLU 187 CO 0.63 0.27 0.00 -0.40 -1.00 0.00 0.00 179.01 178.51 1bxr n ASP 188 N -3.63 0.92 -0.97 1.42 5.75 -1.26 -2.70 116.55 116.08 1bxr n ASP 188 Ca -0.01 -1.73 0.11 0.00 -0.01 0.00 0.00 54.79 53.15 1bxr n ASP 188 Cb 0.39 -0.08 0.14 0.00 -1.03 0.00 0.00 41.12 40.54 1bxr n ASP 188 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bxr n GLU 189 N -0.11 2.22 -3.80 0.11 1.02 -0.54 -4.85 120.64 114.68 1bxr n GLU 189 Ca 0.12 -1.99 -0.27 0.00 -0.02 0.00 0.00 57.16 55.00 1bxr n GLU 189 Cb 0.19 -1.45 -0.17 0.00 -0.02 0.00 0.00 31.44 29.99 1bxr n GLU 189 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bxr s LEU 190 N -1.64 1.25 0.25 -4.62 1.43 -1.10 -4.98 118.68 109.28 1bxr s LEU 190 Ca 0.30 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1bxr s LEU 190 Cb 0.20 -0.68 0.32 0.00 0.03 0.00 0.00 46.19 46.06 1bxr s LEU 190 CO 0.28 -0.25 1.71 1.55 0.23 0.00 0.00 176.35 179.88 1bxr h PRO 191 N 8.21 0.68 -6.14 1.29 0.13 -1.79 -3.43 132.00 130.95 1bxr h PRO 191 Ca -0.19 -0.23 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 1bxr h PRO 191 Cb 1.12 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1bxr h PRO 191 CO 0.34 0.80 -0.53 -0.06 -0.23 0.00 0.00 178.00 178.32 1bxr s PHE 192 N -4.71 3.27 -0.22 1.56 0.08 -0.09 -4.97 117.98 112.89 1bxr s PHE 192 Ca -0.09 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1bxr s PHE 192 Cb 0.14 -1.57 0.06 0.00 -0.57 0.00 0.00 43.02 41.07 1bxr s PHE 192 CO 0.81 0.52 -0.07 -1.58 -0.10 0.00 0.00 175.22 174.80 1bxr s HIS 193 N -1.74 2.41 -0.11 0.36 5.65 -1.26 0.13 115.29 120.74 1bxr s HIS 193 Ca 0.32 -1.72 -0.00 0.00 0.25 0.00 0.00 55.06 53.91 1bxr s HIS 193 Cb -0.10 -1.60 -0.02 0.00 -1.18 0.00 0.00 32.58 29.68 1bxr s HIS 193 CO 0.25 -0.77 -0.09 0.08 -0.65 0.00 0.00 174.74 173.57 1bxr s VAL 194 N 1.39 3.46 -0.33 0.89 1.01 0.22 0.11 120.40 127.16 1bxr s VAL 194 Ca -0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1bxr s VAL 194 Cb -0.18 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1bxr s VAL 194 CO -0.07 0.55 0.27 -0.69 0.00 0.00 0.00 175.10 175.17 1bxr s VAL 195 N -0.14 5.25 -0.21 2.92 1.01 -0.57 -0.65 120.40 128.01 1bxr s VAL 195 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1bxr s VAL 195 Cb -0.13 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1bxr s VAL 195 CO 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 1bxr s ALA 196 N 1.83 2.84 -0.17 5.51 0.00 -0.10 0.24 121.76 131.92 1bxr s ALA 196 Ca 0.08 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1bxr s ALA 196 Cb -0.17 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1bxr s ALA 196 CO 0.11 -0.33 1.16 0.71 0.00 0.00 0.00 175.76 177.41 1bxr s TYR 197 N 1.31 3.09 -0.70 0.00 1.51 0.37 -1.22 117.35 121.71 1bxr s TYR 197 Ca 0.04 1.22 -0.26 0.00 -1.01 0.00 0.00 57.07 57.06 1bxr s TYR 197 Cb -0.14 -3.40 0.04 0.00 -0.11 0.00 0.00 41.96 38.35 1bxr s TYR 197 CO -0.02 -1.15 1.21 0.34 -1.11 0.00 0.00 175.55 174.82 1bxr s ASP 198 N 1.60 6.20 -0.24 2.29 2.15 0.52 -2.67 116.67 126.52 1bxr s ASP 198 Ca 0.51 -0.46 0.13 0.00 0.43 0.00 0.00 52.55 53.16 1bxr s ASP 198 Cb -0.20 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.42 1bxr s ASP 198 CO 0.13 -1.71 1.46 0.49 -0.17 0.00 0.00 175.17 175.37 1bxr n PHE 199 N 8.94 1.10 0.00 -5.34 3.72 -1.26 -3.27 117.46 121.36 1bxr n PHE 199 Ca 0.03 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 1bxr n PHE 199 Cb 0.48 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1bxr n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bxr n GLY 200 N -0.79 0.60 3.75 1.37 0.00 -1.17 -3.59 105.19 105.36 1bxr n GLY 200 Ca 0.28 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1bxr n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 201 N -0.92 3.37 0.17 4.61 0.00 -1.23 -3.92 121.76 123.84 1bxr s ALA 201 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1bxr s ALA 201 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1bxr s ALA 201 CO 0.00 0.02 0.75 0.15 0.00 0.00 0.00 175.76 176.68 1bxr s LYS 202 N -1.29 4.48 0.43 0.00 1.02 -1.26 -4.87 119.74 118.25 1bxr s LYS 202 Ca 0.43 1.07 0.09 0.00 0.02 0.00 0.00 55.97 57.58 1bxr s LYS 202 Cb -0.29 -3.19 0.93 0.00 -0.52 0.00 0.00 37.83 34.76 1bxr s LYS 202 CO 0.37 0.55 2.07 0.00 -0.92 0.00 0.00 175.35 177.42 1bxr h ARG 203 N 4.18 0.44 -0.72 1.68 3.08 -1.75 -2.57 114.38 118.72 1bxr h ARG 203 Ca -0.47 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1bxr h ARG 203 Cb 1.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1bxr h ARG 203 CO 0.66 0.29 0.32 -0.97 -1.07 0.00 0.00 179.97 179.20 1bxr h ASN 204 N 0.46 0.96 -0.51 7.04 -1.24 -1.92 0.13 115.58 120.49 1bxr h ASN 204 Ca 0.13 -0.12 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1bxr h ASN 204 Cb -0.04 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 1bxr h ASN 204 CO -0.03 0.83 0.25 0.40 -1.29 0.00 0.00 177.43 177.60 1bxr h ILE 205 N 1.04 0.94 -0.63 2.57 2.04 -1.78 0.17 117.51 121.85 1bxr h ILE 205 Ca 0.25 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1bxr h ILE 205 Cb 0.15 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1bxr h ILE 205 CO -0.03 0.09 0.21 -0.07 0.00 0.00 0.00 178.15 178.35 1bxr h LEU 206 N 0.49 0.91 -0.34 1.44 3.38 -1.42 -1.77 115.31 117.99 1bxr h LEU 206 Ca 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1bxr h LEU 206 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1bxr h LEU 206 CO -0.17 0.87 0.05 0.03 0.09 0.00 0.00 178.44 179.31 1bxr h ARG 207 N 0.90 0.57 -0.43 1.13 3.08 -0.26 -1.59 114.38 117.78 1bxr h ARG 207 Ca 0.20 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1bxr h ARG 207 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1bxr h ARG 207 CO -0.01 0.65 0.08 0.52 -1.07 0.00 0.00 179.97 180.14 1bxr h MET 208 N 0.40 0.66 -0.44 0.04 2.86 -0.53 0.39 114.93 118.31 1bxr h MET 208 Ca 0.10 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1bxr h MET 208 Cb 0.36 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1bxr h MET 208 CO 0.01 0.62 -0.09 -0.07 1.06 0.00 0.00 176.91 178.44 1bxr h LEU 209 N 0.64 0.83 -1.24 1.22 3.38 -1.20 -1.88 115.31 117.07 1bxr h LEU 209 Ca 0.14 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1bxr h LEU 209 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1bxr h LEU 209 CO 0.00 0.99 0.22 0.58 0.09 0.00 0.00 178.44 180.33 1bxr h VAL 210 N 0.66 1.19 -0.33 1.22 2.07 -0.89 -0.84 116.25 119.33 1bxr h VAL 210 Ca 0.11 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1bxr h VAL 210 Cb 0.62 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1bxr h VAL 210 CO 0.04 0.23 0.10 0.44 0.02 0.00 0.00 177.57 178.40 1bxr h ASP 211 N 0.75 0.43 -0.32 0.57 3.32 -0.39 -0.86 116.42 119.92 1bxr h ASP 211 Ca 0.18 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1bxr h ASP 211 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1bxr h ASP 211 CO -0.02 0.43 0.00 0.54 -1.72 0.00 0.00 179.24 178.47 1bxr n ARG 212 N -4.37 2.03 -0.11 3.56 1.74 -0.41 -4.89 116.66 114.22 1bxr n ARG 212 Ca 0.02 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.83 1bxr n ARG 212 Cb 0.16 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1bxr n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxr n GLY 213 N 0.84 0.94 3.81 -0.13 0.00 -0.33 -4.96 105.19 105.37 1bxr n GLY 213 Ca 0.12 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1bxr n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ARG 215 N -0.42 3.58 0.04 0.00 1.70 0.35 -3.93 118.95 120.27 1bxr s ARG 215 Ca 0.13 -0.03 0.09 0.00 -0.47 0.00 0.00 55.73 55.44 1bxr s ARG 215 Cb -0.12 -3.21 -0.03 0.00 -0.57 0.00 0.00 34.95 31.02 1bxr s ARG 215 CO 0.02 0.73 -0.24 -0.51 -1.08 0.00 0.00 175.30 174.22 1bxr s LEU 216 N -0.94 2.16 -0.25 -1.89 1.43 -0.93 0.71 118.68 118.97 1bxr s LEU 216 Ca 0.16 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1bxr s LEU 216 Cb -0.13 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.95 1bxr s LEU 216 CO 0.05 0.22 -0.09 -0.89 0.23 0.00 0.00 176.35 175.88 1bxr s THR 217 N -0.80 2.57 -0.15 5.49 2.01 0.18 -1.18 115.64 123.76 1bxr s THR 217 Ca 0.10 -1.21 -0.20 0.00 0.31 0.00 0.00 61.69 60.69 1bxr s THR 217 Cb -0.10 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1bxr s THR 217 CO 0.02 0.16 0.58 -0.63 -0.69 0.00 0.00 174.62 174.06 1bxr s ILE 218 N 1.25 5.09 0.12 1.82 -1.09 0.58 -0.92 121.20 128.05 1bxr s ILE 218 Ca -0.02 1.13 0.08 0.00 -2.23 0.00 0.00 60.65 59.61 1bxr s ILE 218 Cb -0.17 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1bxr s ILE 218 CO -0.06 0.21 -0.19 0.68 -1.23 0.00 0.00 174.94 174.36 1bxr s VAL 219 N 1.26 1.67 0.67 2.92 -7.23 -0.36 -0.71 120.40 118.60 1bxr s VAL 219 Ca 0.29 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 1bxr s VAL 219 Cb -0.16 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1bxr s VAL 219 CO 0.12 -0.17 0.81 -2.65 -0.31 0.00 0.00 175.10 172.90 1bxr n PRO 220 N 0.83 0.58 -0.31 4.82 -0.02 -1.26 -0.36 135.00 139.28 1bxr n PRO 220 Ca -0.18 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.67 1bxr n PRO 220 Cb 0.55 -2.05 0.36 0.00 -0.02 0.00 0.00 33.50 32.33 1bxr n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxr h ALA 221 N 0.01 1.79 -0.01 3.55 0.00 -1.79 -2.58 119.26 120.23 1bxr h ALA 221 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bxr h ALA 221 Cb 1.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1bxr h ALA 221 CO 0.47 -0.08 -0.11 1.04 0.00 0.00 0.00 179.25 180.56 1bxr n GLN 222 N -4.62 1.10 -1.55 0.00 3.00 -1.26 -4.57 117.38 109.47 1bxr n GLN 222 Ca 0.20 -0.55 -0.53 0.00 -0.01 0.00 0.00 57.00 56.11 1bxr n GLN 222 Cb 0.52 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 29.21 1bxr n GLN 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1bxr n THR 223 N -0.47 0.31 -2.34 5.09 -1.04 -0.97 -4.92 114.28 109.93 1bxr n THR 223 Ca 0.16 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.05 61.74 1bxr n THR 223 Cb 0.31 -0.54 -0.01 0.00 -1.82 0.00 0.00 70.33 68.27 1bxr n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bxr s SER 224 N 0.16 5.93 0.46 8.00 1.04 -1.26 -4.92 113.70 123.10 1bxr s SER 224 Ca 0.83 2.12 0.15 0.00 0.48 0.00 0.00 55.95 59.53 1bxr s SER 224 Cb -1.02 -2.58 1.10 0.00 0.10 0.00 0.00 66.02 63.62 1bxr s SER 224 CO 0.51 -1.08 2.02 0.00 0.98 0.00 0.00 173.24 175.68 1bxr h ALA 225 N 1.37 2.05 -0.31 5.32 0.00 -1.91 -2.23 119.26 123.55 1bxr h ALA 225 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1bxr h ALA 225 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1bxr h ALA 225 CO 0.58 -0.15 0.03 0.93 0.00 0.00 0.00 179.25 180.64 1bxr h GLU 226 N 0.30 0.52 0.00 0.00 3.07 -1.94 0.62 114.58 117.16 1bxr h GLU 226 Ca 0.21 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1bxr h GLU 226 Cb 0.45 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1bxr h GLU 226 CO -0.05 0.64 -0.36 -0.44 -1.40 0.00 0.00 179.01 177.40 1bxr h ASP 227 N 0.34 0.00 0.10 1.42 3.32 -1.79 -2.38 116.42 117.42 1bxr h ASP 227 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1bxr h ASP 227 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bxr h ASP 227 CO 0.01 0.36 -0.05 0.58 -1.72 0.00 0.00 179.24 178.42 1bxr h VAL 228 N 0.00 0.94 -0.14 -1.35 2.07 -1.22 -3.23 116.25 113.31 1bxr h VAL 228 Ca -0.00 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1bxr h VAL 228 Cb 0.66 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1bxr h VAL 228 CO 0.05 0.27 0.36 -0.07 0.02 0.00 0.00 177.57 178.19 1bxr h LEU 229 N -0.90 0.00 -0.12 2.57 3.38 -0.83 0.69 115.31 120.11 1bxr h LEU 229 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bxr h LEU 229 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1bxr h LEU 229 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1bxr n LYS 230 N -3.21 0.11 0.07 1.13 5.02 -0.90 -2.97 118.16 117.40 1bxr n LYS 230 Ca 0.01 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1bxr n LYS 230 Cb 0.45 -1.65 0.16 0.00 -0.02 0.00 0.00 35.03 33.98 1bxr n LYS 230 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1bxr h MET 231 N 0.00 0.00 -4.31 1.97 2.86 0.29 -3.48 114.93 112.26 1bxr h MET 231 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1bxr h MET 231 Cb 0.49 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.26 1bxr h MET 231 CO 0.00 0.00 -0.47 0.09 1.06 0.00 0.00 176.91 177.59 1bxr n ASN 232 N -2.16 -3.93 -4.77 1.22 4.13 -1.16 -4.98 115.26 103.62 1bxr n ASN 232 Ca 0.03 -0.39 -0.41 0.00 1.68 0.00 0.00 54.58 55.49 1bxr n ASN 232 Cb 0.45 -3.17 -0.00 0.00 -1.54 0.00 0.00 39.78 35.51 1bxr n ASN 232 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1bxr n PRO 233 N -2.56 2.71 0.16 3.52 -0.04 -1.26 -4.89 135.00 132.63 1bxr n PRO 233 Ca -0.07 0.95 0.08 0.00 -0.04 0.00 0.00 63.50 64.42 1bxr n PRO 233 Cb 0.58 -2.70 0.08 0.00 -0.04 0.00 0.00 33.50 31.42 1bxr n PRO 233 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bxr h ASP 234 N 3.33 0.00 -4.87 3.54 3.32 0.37 -3.47 116.42 118.64 1bxr h ASP 234 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1bxr h ASP 234 Cb 1.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 1bxr h ASP 234 CO 0.67 0.20 0.29 -0.83 -1.72 0.00 0.00 179.24 177.85 1bxr s GLY 235 N -4.36 -0.56 -0.13 2.75 0.00 -1.15 -4.49 107.32 99.39 1bxr s GLY 235 Ca 0.04 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1bxr s GLY 235 CO 0.72 0.37 -0.20 -0.42 0.00 0.00 0.00 173.10 173.57 1bxr s ILE 236 N -3.08 2.34 -0.07 0.90 1.01 -0.47 -1.51 121.20 120.32 1bxr s ILE 236 Ca -0.00 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1bxr s ILE 236 Cb -0.01 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1bxr s ILE 236 CO -0.08 0.54 -0.18 0.12 0.00 0.00 0.00 174.94 175.35 1bxr s PHE 237 N 0.56 2.64 -0.40 3.97 5.36 0.67 -2.37 117.98 128.40 1bxr s PHE 237 Ca -0.12 -0.46 -0.06 0.00 -0.96 0.00 0.00 56.93 55.34 1bxr s PHE 237 Cb -0.16 -1.67 0.09 0.00 -0.34 0.00 0.00 43.02 40.94 1bxr s PHE 237 CO 0.04 -0.04 0.21 -0.51 -1.46 0.00 0.00 175.22 173.45 1bxr s LEU 238 N -0.29 5.05 1.23 6.12 1.43 -0.44 0.14 118.68 131.92 1bxr s LEU 238 Ca 0.01 -1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 51.24 1bxr s LEU 238 Cb -0.13 -1.89 0.30 0.00 0.03 0.00 0.00 46.19 44.50 1bxr s LEU 238 CO 0.03 -0.51 1.01 -0.94 0.23 0.00 0.00 176.35 176.17 1bxr s SER 239 N 1.93 0.54 0.83 2.29 1.04 -1.09 -1.28 113.70 117.96 1bxr s SER 239 Ca 0.04 1.19 -0.12 0.00 0.48 0.00 0.00 55.95 57.55 1bxr s SER 239 Cb -0.23 -1.82 0.11 0.00 0.10 0.00 0.00 66.02 64.19 1bxr s SER 239 CO -0.01 -4.42 1.18 0.54 0.98 0.00 0.00 173.24 171.50 1bxr s ASN 240 N -2.93 4.16 0.00 7.02 4.22 -1.13 -1.23 114.94 125.05 1bxr s ASN 240 Ca 0.68 0.51 0.00 0.00 -2.14 0.00 0.00 52.86 51.91 1bxr s ASN 240 Cb -0.20 -0.90 0.00 0.00 1.28 0.00 0.00 41.25 41.44 1bxr s ASN 240 CO 0.61 -2.08 0.00 0.61 -2.04 0.00 0.00 177.10 174.20 1bxr n GLY 241 N -3.35 0.98 3.86 0.45 0.00 -1.24 -3.06 105.19 102.84 1bxr n GLY 241 Ca 0.10 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1bxr n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bxr s PRO 242 N -2.00 2.93 1.30 1.61 0.04 -1.25 -4.63 135.00 133.00 1bxr s PRO 242 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1bxr s PRO 242 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1bxr s PRO 242 CO 0.00 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1bxr n GLY 243 N -2.69 -1.91 3.72 0.56 0.00 -1.26 -3.58 105.19 100.03 1bxr n GLY 243 Ca 0.07 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1bxr n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bxr s ASP 244 N -4.00 7.42 0.11 1.61 -1.08 -0.33 -4.91 116.67 115.50 1bxr s ASP 244 Ca 0.00 1.71 -0.11 0.00 -0.52 0.00 0.00 52.55 53.63 1bxr s ASP 244 Cb 0.00 -2.58 -0.12 0.00 -1.46 0.00 0.00 42.92 38.76 1bxr s ASP 244 CO 0.00 -0.17 1.33 1.55 0.52 0.00 0.00 175.17 178.39 1bxr h PRO 245 N 6.27 0.75 -0.83 4.34 0.13 -1.90 -3.37 132.00 137.39 1bxr h PRO 245 Ca -0.42 -0.61 0.16 0.00 -0.87 0.00 0.00 66.00 64.26 1bxr h PRO 245 Cb 1.22 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 1bxr h PRO 245 CO 0.74 1.22 -0.24 0.00 -0.23 0.00 0.00 178.00 179.48 1bxr n ALA 246 N -2.59 0.11 1.31 -0.56 0.00 -1.26 -1.25 120.51 116.27 1bxr n ALA 246 Ca -0.07 0.89 0.09 0.00 0.00 0.00 0.00 53.44 54.35 1bxr n ALA 246 Cb 0.74 -0.50 0.53 0.00 0.00 0.00 0.00 19.45 20.23 1bxr n ALA 246 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bxr n PRO 247 N -5.32 0.66 -1.54 0.00 -0.04 -1.26 -4.27 135.00 123.23 1bxr n PRO 247 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1bxr n PRO 247 Cb 0.39 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1bxr n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr h ASP 249 N 3.50 0.17 -0.67 0.00 2.03 -1.85 0.20 116.42 119.80 1bxr h ASP 249 Ca 0.47 0.26 -0.06 0.00 -0.73 0.00 0.00 57.03 56.97 1bxr h ASP 249 Cb 0.70 0.31 -0.03 0.00 -0.83 0.00 0.00 39.33 39.48 1bxr h ASP 249 CO 0.98 -0.41 0.17 0.10 -1.03 0.00 0.00 179.24 179.06 1bxr h TYR 250 N 0.02 1.11 0.13 4.15 -0.00 -1.95 0.20 116.97 120.63 1bxr h TYR 250 Ca 0.79 -0.13 -0.30 0.00 0.00 0.00 0.00 58.73 59.10 1bxr h TYR 250 Cb 2.02 -0.32 0.03 0.00 0.00 0.00 0.00 36.73 38.46 1bxr h TYR 250 CO -0.11 0.91 -1.26 0.00 -0.00 0.00 0.00 178.16 177.70 1bxr h ALA 251 N 1.07 0.00 -0.24 0.10 0.00 -0.98 -1.59 119.26 117.64 1bxr h ALA 251 Ca 0.21 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1bxr h ALA 251 Cb 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bxr h ALA 251 CO 0.00 0.72 -0.06 0.82 0.00 0.00 0.00 179.25 180.73 1bxr h ILE 252 N 0.24 1.18 0.56 0.00 2.04 -0.67 -1.95 117.51 118.91 1bxr h ILE 252 Ca -0.19 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1bxr h ILE 252 Cb 1.94 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1bxr h ILE 252 CO 0.24 0.25 -0.27 0.74 0.00 0.00 0.00 178.15 179.11 1bxr h THR 253 N 0.35 0.13 -0.94 -0.27 2.02 -0.56 -2.76 112.91 110.88 1bxr h THR 253 Ca 0.07 -0.45 0.21 0.00 0.77 0.00 0.00 66.41 67.02 1bxr h THR 253 Cb 0.34 0.19 -0.12 0.00 -1.74 0.00 0.00 68.15 66.82 1bxr h THR 253 CO 0.02 0.02 0.49 0.00 0.37 0.00 0.00 175.52 176.42 1bxr h ALA 254 N -1.04 1.56 -0.64 6.16 0.00 -1.18 -0.93 119.26 123.18 1bxr h ALA 254 Ca -0.08 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 254 Cb 0.61 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1bxr h ALA 254 CO 0.13 -0.24 0.14 0.82 0.00 0.00 0.00 179.25 180.09 1bxr h ILE 255 N 0.54 1.25 -0.66 0.00 2.04 -1.38 -1.07 117.51 118.24 1bxr h ILE 255 Ca 0.58 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1bxr h ILE 255 Cb 1.03 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1bxr h ILE 255 CO -0.47 0.36 0.43 1.56 0.00 0.00 0.00 178.15 180.03 1bxr h GLN 256 N 0.96 0.86 -0.21 2.37 4.20 -0.87 0.12 115.11 122.54 1bxr h GLN 256 Ca 0.20 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1bxr h GLN 256 Cb 0.37 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1bxr h GLN 256 CO 0.00 0.57 -0.13 0.87 -0.67 0.00 0.00 178.83 179.47 1bxr h LYS 257 N 0.88 0.46 0.00 1.46 1.57 -1.06 -2.55 116.57 117.34 1bxr h LYS 257 Ca 0.24 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1bxr h LYS 257 Cb -0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1bxr h LYS 257 CO -0.05 0.77 -0.00 0.74 -0.57 0.00 0.00 179.45 180.33 1bxr h PHE 258 N 0.16 0.00 -0.03 -1.35 0.04 -0.18 -1.18 116.94 114.40 1bxr h PHE 258 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1bxr h PHE 258 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1bxr h PHE 258 CO 0.07 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.06 1bxr n LEU 259 N -4.49 0.61 -0.00 1.54 4.77 0.31 -2.31 117.00 117.42 1bxr n LEU 259 Ca -0.03 -0.31 0.07 0.00 -0.03 0.00 0.00 56.01 55.72 1bxr n LEU 259 Cb 0.09 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1bxr n LEU 259 CO 0.34 0.14 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.79 1bxr n GLU 260 N -0.22 1.81 -2.84 3.23 1.02 -0.45 -4.97 120.64 118.23 1bxr n GLU 260 Ca 0.01 -0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1bxr n GLU 260 Cb 0.14 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 1bxr n GLU 260 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bxr n THR 261 N -1.45 0.00 -0.42 2.62 -2.24 -0.98 -5.06 114.28 106.75 1bxr n THR 261 Ca 0.02 -1.69 0.08 0.00 -2.27 0.00 0.00 64.05 60.19 1bxr n THR 261 Cb 0.26 -0.49 0.24 0.00 -2.10 0.00 0.00 70.33 68.23 1bxr n THR 261 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bxr n ASP 262 N -2.32 3.62 -4.72 3.42 8.00 -1.26 -4.92 116.55 118.37 1bxr n ASP 262 Ca 0.11 -2.24 -0.42 0.00 0.71 0.00 0.00 54.79 52.95 1bxr n ASP 262 Cb 0.52 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1bxr n ASP 262 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bxr s ILE 263 N -1.44 3.51 0.30 0.53 1.01 -1.26 -4.86 121.20 118.97 1bxr s ILE 263 Ca 0.36 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 1bxr s ILE 263 Cb 0.22 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 1bxr s ILE 263 CO 0.20 0.11 1.29 -2.84 0.00 0.00 0.00 174.94 173.70 1bxr s PRO 264 N 0.69 4.39 -0.08 2.79 0.02 -1.26 -4.79 135.00 136.76 1bxr s PRO 264 Ca 0.60 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.77 1bxr s PRO 264 Cb -0.34 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.08 1bxr s PRO 264 CO 0.32 -0.16 -0.11 0.08 -0.33 0.00 0.00 177.00 176.80 1bxr s VAL 265 N -0.84 1.15 -0.04 3.83 1.01 -0.31 -1.36 120.40 123.84 1bxr s VAL 265 Ca 0.50 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1bxr s VAL 265 Cb -0.38 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1bxr s VAL 265 CO 0.48 0.37 -0.12 0.12 0.00 0.00 0.00 175.10 175.95 1bxr s PHE 266 N 0.94 1.23 0.05 5.22 5.36 -1.00 -0.63 117.98 129.16 1bxr s PHE 266 Ca -0.09 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.57 1bxr s PHE 266 Cb -0.15 -0.87 -0.03 0.00 -0.34 0.00 0.00 43.02 41.64 1bxr s PHE 266 CO 0.00 -0.14 -0.11 0.20 -1.46 0.00 0.00 175.22 173.71 1bxr s GLY 267 N 0.23 0.70 -0.11 13.12 0.00 -0.48 -1.33 107.32 119.45 1bxr s GLY 267 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.84 1bxr s GLY 267 CO 0.01 -0.90 -0.23 -0.42 0.00 0.00 0.00 173.10 171.56 1bxr s ILE 268 N -1.24 2.04 0.00 0.90 1.01 -0.40 -1.12 121.20 122.40 1bxr s ILE 268 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1bxr s ILE 268 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1bxr s ILE 268 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.51 1bxr h LEU 270 N 0.00 0.79 -2.17 0.00 5.85 -1.82 -1.05 115.31 116.90 1bxr h LEU 270 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1bxr h LEU 270 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1bxr h LEU 270 CO 0.00 0.65 0.00 1.23 -0.34 0.00 0.00 178.44 179.98 1bxr h GLY 271 N 0.95 0.00 1.19 3.75 0.00 -0.21 0.93 103.07 109.69 1bxr h GLY 271 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.31 1bxr h GLY 271 CO -0.03 0.00 -0.89 0.84 0.00 0.00 0.00 176.54 176.46 1bxr h HIS 272 N 0.00 1.07 -0.32 5.60 -0.00 -1.36 -0.70 115.15 119.44 1bxr h HIS 272 Ca 0.00 -0.52 -0.07 0.00 -0.00 0.00 0.00 60.37 59.78 1bxr h HIS 272 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1bxr h HIS 272 CO 0.00 1.35 -0.08 1.96 -0.00 0.00 0.00 177.93 181.17 1bxr h GLN 273 N 0.49 0.63 -0.51 5.26 4.20 -0.57 -0.95 115.11 123.66 1bxr h GLN 273 Ca -0.08 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1bxr h GLN 273 Cb 1.53 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 1bxr h GLN 273 CO 0.18 0.80 0.28 -0.07 -0.67 0.00 0.00 178.83 179.35 1bxr h LEU 274 N 0.40 0.64 0.02 1.46 3.38 -0.89 0.63 115.31 120.96 1bxr h LEU 274 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1bxr h LEU 274 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1bxr h LEU 274 CO 0.03 0.55 -0.06 0.25 0.09 0.00 0.00 178.44 179.30 1bxr h LEU 275 N 0.68 -0.18 -0.78 1.67 5.85 -1.00 0.30 115.31 121.86 1bxr h LEU 275 Ca 0.18 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1bxr h LEU 275 Cb 0.06 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1bxr h LEU 275 CO -0.03 -0.10 0.49 0.00 -0.34 0.00 0.00 178.44 178.46 1bxr h ALA 276 N 0.85 1.04 -0.03 1.25 0.00 -0.77 -1.24 119.26 120.35 1bxr h ALA 276 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bxr h ALA 276 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1bxr h ALA 276 CO -0.05 0.26 -0.02 -0.07 0.00 0.00 0.00 179.25 179.37 1bxr h LEU 277 N 0.93 -0.05 -1.30 0.00 3.38 0.98 0.39 115.31 119.63 1bxr h LEU 277 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1bxr h LEU 277 Cb 0.07 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1bxr h LEU 277 CO -0.14 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1bxr h ALA 278 N 1.02 1.00 -0.22 1.53 0.00 0.12 -2.17 119.26 120.54 1bxr h ALA 278 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bxr h ALA 278 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bxr h ALA 278 CO -0.04 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1bxr n SER 279 N -2.38 3.18 0.00 0.00 7.64 -0.52 -4.77 113.62 116.77 1bxr n SER 279 Ca -0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1bxr n SER 279 Cb 0.13 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bxr n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxr n GLY 280 N 1.43 0.97 3.99 0.23 0.00 -0.81 -4.70 105.19 106.29 1bxr n GLY 280 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1bxr n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 281 N -2.00 4.20 0.01 4.61 0.00 0.05 -4.68 121.76 123.95 1bxr s ALA 281 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1bxr s ALA 281 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1bxr s ALA 281 CO 0.00 -0.46 0.00 0.15 0.00 0.00 0.00 175.76 175.45 1bxr s LYS 282 N -4.52 2.75 0.10 0.00 -0.14 -1.26 -4.30 119.74 112.37 1bxr s LYS 282 Ca 0.55 -0.65 0.07 0.00 -1.36 0.00 0.00 55.97 54.58 1bxr s LYS 282 Cb -0.10 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 1bxr s LYS 282 CO 0.35 0.61 -0.09 0.95 -0.76 0.00 0.00 175.35 176.42 1bxr s THR 283 N -1.13 3.45 0.10 2.17 -4.23 -1.26 0.15 115.64 114.90 1bxr s THR 283 Ca 0.21 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1bxr s THR 283 Cb -0.12 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1bxr s THR 283 CO 0.12 0.11 -0.03 0.68 -0.54 0.00 0.00 174.62 174.96 1bxr s VAL 284 N -1.23 0.49 -0.10 2.29 -7.23 0.33 -4.88 120.40 110.08 1bxr s VAL 284 Ca 0.22 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 1bxr s VAL 284 Cb -0.11 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1bxr s VAL 284 CO 0.14 -0.78 0.47 -0.75 -0.31 0.00 0.00 175.10 173.87 1bxr s LYS 285 N -3.90 4.29 0.49 4.82 2.20 -1.26 0.11 119.74 126.49 1bxr s LYS 285 Ca 0.14 0.46 -0.18 0.00 -0.36 0.00 0.00 55.97 56.03 1bxr s LYS 285 Cb 0.06 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1bxr s LYS 285 CO -0.04 0.23 0.99 -1.64 -0.36 0.00 0.00 175.35 174.53 1bxr s MET 286 N 0.37 3.96 0.16 4.03 -1.94 0.99 -4.91 119.30 121.97 1bxr s MET 286 Ca 0.26 1.08 -0.23 0.00 -1.71 0.00 0.00 55.69 55.09 1bxr s MET 286 Cb -0.15 -2.13 0.04 0.00 2.01 0.00 0.00 34.83 34.60 1bxr s MET 286 CO 0.11 -0.27 1.60 -0.22 -0.01 0.00 0.00 175.02 176.23 1bxr h LYS 287 N 1.26 -0.26 0.00 2.03 3.64 -1.97 -3.37 116.57 117.89 1bxr h LYS 287 Ca -0.48 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1bxr h LYS 287 Cb 1.19 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1bxr h LYS 287 CO 0.61 -0.18 -0.42 1.97 -2.27 0.00 0.00 179.45 179.16 1bxr n PHE 288 N -5.41 0.00 -2.09 1.91 1.16 -1.26 -0.87 117.46 110.90 1bxr n PHE 288 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1bxr n PHE 288 Cb 0.33 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 1bxr n PHE 288 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1bxr n GLY 289 N 1.07 -2.15 3.06 4.97 0.00 -1.26 -4.86 105.19 106.01 1bxr n GLY 289 Ca 0.00 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1bxr n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bxr s HIS 290 N -0.19 3.06 -0.30 1.61 0.09 0.66 -4.99 115.29 115.23 1bxr s HIS 290 Ca 0.00 -2.13 -0.03 0.00 -0.00 0.00 0.00 55.06 52.90 1bxr s HIS 290 Cb 0.00 -1.87 0.10 0.00 -0.00 0.00 0.00 32.58 30.81 1bxr s HIS 290 CO 0.00 -0.85 0.13 -1.01 -0.00 0.00 0.00 174.74 173.01 1bxr s HIS 291 N 1.17 0.71 -0.35 1.40 3.76 -1.25 -0.20 115.29 120.53 1bxr s HIS 291 Ca -0.06 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.67 1bxr s HIS 291 Cb -0.19 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1bxr s HIS 291 CO -0.06 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 1bxr n GLY 292 N 5.01 -1.18 0.75 -2.22 0.00 -0.90 -1.77 105.19 104.88 1bxr n GLY 292 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.19 1bxr n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 293 N 0.00 0.82 0.16 -0.02 0.00 -1.26 -1.69 105.19 103.20 1bxr n GLY 293 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1bxr n GLY 293 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bxr n ASN 294 N 0.07 1.52 -4.60 1.61 6.94 -1.18 -4.51 115.26 115.11 1bxr n ASN 294 Ca 0.02 -2.48 -0.43 0.00 -0.02 0.00 0.00 54.58 51.67 1bxr n ASN 294 Cb 0.81 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 1bxr n ASN 294 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1bxr s HIS 295 N -1.64 2.97 -0.07 -2.53 2.46 -0.73 -4.79 115.29 110.97 1bxr s HIS 295 Ca 0.16 0.77 -0.30 0.00 0.47 0.00 0.00 55.06 56.17 1bxr s HIS 295 Cb 0.14 -4.00 -0.02 0.00 -0.13 0.00 0.00 32.58 28.57 1bxr s HIS 295 CO 0.02 -1.02 1.09 -1.25 -2.47 0.00 0.00 174.74 171.10 1bxr s PRO 296 N 3.91 4.41 -0.07 2.88 0.04 -1.26 -0.29 135.00 144.62 1bxr s PRO 296 Ca 0.43 1.52 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1bxr s PRO 296 Cb -0.10 -3.53 -0.00 0.00 0.04 0.00 0.00 34.50 30.91 1bxr s PRO 296 CO 0.24 -0.34 -0.23 0.08 0.04 0.00 0.00 177.00 176.79 1bxr s VAL 297 N 1.94 1.96 -0.19 -0.36 1.01 -0.01 -0.23 120.40 124.51 1bxr s VAL 297 Ca 0.52 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1bxr s VAL 297 Cb -0.21 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1bxr s VAL 297 CO 0.21 0.54 0.13 -0.75 0.00 0.00 0.00 175.10 175.23 1bxr s LYS 298 N 0.08 4.10 -0.76 2.72 2.20 0.12 -0.09 119.74 128.10 1bxr s LYS 298 Ca -0.10 -0.22 -0.26 0.00 -0.36 0.00 0.00 55.97 55.04 1bxr s LYS 298 Cb -0.15 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1bxr s LYS 298 CO 0.05 0.35 1.25 0.34 -0.36 0.00 0.00 175.35 176.99 1bxr s ASP 299 N 0.21 6.21 0.40 1.43 -1.08 -0.04 -1.58 116.67 122.21 1bxr s ASP 299 Ca 0.09 -0.67 0.09 0.00 -0.52 0.00 0.00 52.55 51.53 1bxr s ASP 299 Cb -0.11 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.67 1bxr s ASP 299 CO -0.01 -1.73 1.98 -0.37 0.52 0.00 0.00 175.17 175.56 1bxr h VAL 300 N 6.10 0.99 -0.48 1.11 -1.51 -1.53 0.72 116.25 121.66 1bxr h VAL 300 Ca -0.22 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1bxr h VAL 300 Cb 1.05 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.53 1bxr h VAL 300 CO 1.28 0.11 0.32 -0.33 -1.23 0.00 0.00 177.57 177.72 1bxr h GLU 301 N 0.60 0.63 0.00 5.19 3.07 -1.89 -3.24 114.58 118.94 1bxr h GLU 301 Ca 0.27 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1bxr h GLU 301 Cb 0.30 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1bxr h GLU 301 CO -0.08 0.42 -1.31 1.63 -1.40 0.00 0.00 179.01 178.27 1bxr n LYS 302 N -4.75 0.88 -3.12 2.33 5.02 -1.11 -5.02 118.16 112.38 1bxr n LYS 302 Ca 0.02 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1bxr n LYS 302 Cb 0.02 -1.38 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1bxr n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bxr n ASN 303 N -1.76 -3.02 -4.22 4.39 5.15 0.25 -5.03 115.26 111.03 1bxr n ASN 303 Ca 0.00 -0.53 -0.19 0.00 -0.60 0.00 0.00 54.58 53.26 1bxr n ASN 303 Cb 0.37 -4.35 -0.12 0.00 -0.53 0.00 0.00 39.78 35.15 1bxr n ASN 303 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bxr s VAL 304 N -3.30 1.29 -0.10 3.44 -7.23 -1.13 -4.97 120.40 108.39 1bxr s VAL 304 Ca 0.10 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1bxr s VAL 304 Cb -0.01 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1bxr s VAL 304 CO 0.61 -0.27 0.00 -0.69 -0.31 0.00 0.00 175.10 174.44 1bxr s VAL 305 N -1.59 4.31 0.08 1.32 1.01 -1.26 -0.86 120.40 123.40 1bxr s VAL 305 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1bxr s VAL 305 Cb -0.08 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1bxr s VAL 305 CO 0.03 0.58 -0.22 0.00 0.00 0.00 0.00 175.10 175.49 1bxr s MET 306 N -0.60 1.32 -0.34 2.72 0.23 0.87 -4.94 119.30 118.54 1bxr s MET 306 Ca 0.10 -1.10 -0.17 0.00 -1.03 0.00 0.00 55.69 53.49 1bxr s MET 306 Cb -0.12 -1.55 -0.01 0.00 -1.53 0.00 0.00 34.83 31.62 1bxr s MET 306 CO 0.02 0.38 0.44 0.42 -2.03 0.00 0.00 175.02 174.25 1bxr s ILE 307 N -0.98 5.09 0.32 3.16 -1.09 -1.26 -0.83 121.20 125.61 1bxr s ILE 307 Ca 0.08 0.22 0.10 0.00 -2.23 0.00 0.00 60.65 58.82 1bxr s ILE 307 Cb -0.10 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1bxr s ILE 307 CO 0.03 -0.15 -0.03 0.42 -1.23 0.00 0.00 174.94 173.98 1bxr s THR 308 N 2.21 2.69 -0.29 2.92 -4.23 0.60 -4.25 115.64 115.29 1bxr s THR 308 Ca 0.15 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 1bxr s THR 308 Cb -0.16 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1bxr s THR 308 CO 0.12 -0.26 0.23 0.00 -0.54 0.00 0.00 174.62 174.18 1bxr s ALA 309 N -2.50 3.53 -0.06 3.99 0.00 -1.26 -1.77 121.76 123.70 1bxr s ALA 309 Ca 0.33 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1bxr s ALA 309 Cb -0.02 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1bxr s ALA 309 CO 0.18 -0.64 -0.12 -0.65 0.00 0.00 0.00 175.76 174.53 1bxr s GLN 310 N 1.81 2.57 -0.46 0.00 -1.52 -0.68 -1.51 119.66 119.87 1bxr s GLN 310 Ca 0.08 -0.66 0.07 0.00 -1.95 0.00 0.00 55.36 52.90 1bxr s GLN 310 Cb -0.16 -2.43 0.23 0.00 -0.22 0.00 0.00 33.01 30.42 1bxr s GLN 310 CO 0.11 0.63 0.72 -1.71 -0.25 0.00 0.00 175.29 174.78 1bxr n ASN 311 N 2.30 -1.98 -3.78 5.90 5.15 -0.84 -2.12 115.26 119.90 1bxr n ASN 311 Ca -0.17 -3.00 -0.13 0.00 -0.60 0.00 0.00 54.58 50.68 1bxr n ASN 311 Cb 0.52 0.97 -0.10 0.00 -0.53 0.00 0.00 39.78 40.64 1bxr n ASN 311 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1bxr s HIS 312 N 0.18 -0.26 -0.41 1.20 -3.43 0.71 -4.99 115.29 108.29 1bxr s HIS 312 Ca 0.33 0.59 0.13 0.00 -0.80 0.00 0.00 55.06 55.30 1bxr s HIS 312 Cb 0.16 0.09 -0.16 0.00 -1.43 0.00 0.00 32.58 31.24 1bxr s HIS 312 CO -0.18 -0.23 0.46 0.41 -2.00 0.00 0.00 174.74 173.20 1bxr n GLY 313 N 2.37 -0.34 3.49 -1.38 0.00 -1.26 -0.25 105.19 107.82 1bxr n GLY 313 Ca -0.16 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 1bxr n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 314 N -2.44 2.27 0.10 1.61 0.40 -1.26 -0.00 117.98 118.66 1bxr s PHE 314 Ca 0.02 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 1bxr s PHE 314 Cb 0.09 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1bxr s PHE 314 CO 0.53 0.61 0.16 0.00 0.70 0.00 0.00 175.22 177.22 1bxr s ALA 315 N -2.62 0.04 -0.06 5.36 0.00 0.12 -4.83 121.76 119.77 1bxr s ALA 315 Ca 0.31 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 1bxr s ALA 315 Cb -0.01 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1bxr s ALA 315 CO 0.15 -0.51 0.67 0.08 0.00 0.00 0.00 175.76 176.15 1bxr s VAL 316 N -3.91 5.03 -0.25 0.00 1.01 -1.26 -0.51 120.40 120.50 1bxr s VAL 316 Ca 0.09 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 1bxr s VAL 316 Cb 0.05 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1bxr s VAL 316 CO -0.08 0.28 1.41 -0.62 0.00 0.00 0.00 175.10 176.10 1bxr s ASP 317 N 0.63 6.60 0.33 3.32 -1.08 0.40 -4.58 116.67 122.30 1bxr s ASP 317 Ca 0.36 1.42 0.07 0.00 -0.52 0.00 0.00 52.55 53.89 1bxr s ASP 317 Cb -0.18 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.34 1bxr s ASP 317 CO 0.17 -1.10 1.80 -0.08 0.52 0.00 0.00 175.17 176.48 1bxr h GLU 318 N 9.65 0.27 0.00 4.34 4.81 -1.95 -2.44 114.58 129.26 1bxr h GLU 318 Ca -0.29 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1bxr h GLU 318 Cb 1.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1bxr h GLU 318 CO 1.01 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 179.81 1bxr n ALA 319 N -2.48 2.43 0.24 2.92 0.00 -1.26 -2.70 120.51 119.66 1bxr n ALA 319 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1bxr n ALA 319 Cb 0.38 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1bxr n ALA 319 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bxr n THR 320 N -1.07 0.14 -1.77 0.00 -2.24 -0.92 -5.01 114.28 103.41 1bxr n THR 320 Ca 0.18 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1bxr n THR 320 Cb 0.12 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1bxr n THR 320 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxr s LEU 321 N -0.66 4.14 0.58 3.22 1.02 -1.10 -4.54 118.68 121.34 1bxr s LEU 321 Ca 0.09 2.30 -0.21 0.00 0.02 0.00 0.00 54.13 56.34 1bxr s LEU 321 Cb 0.06 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.71 1bxr s LEU 321 CO 0.09 -1.26 1.35 -2.84 0.02 0.00 0.00 176.35 173.71 1bxr s PRO 322 N 4.83 2.94 0.58 1.29 0.01 -1.26 -4.88 135.00 138.51 1bxr s PRO 322 Ca 0.86 2.20 0.29 0.00 0.01 0.00 0.00 61.00 64.37 1bxr s PRO 322 Cb -0.37 -2.13 1.45 0.00 0.01 0.00 0.00 34.50 33.46 1bxr s PRO 322 CO 0.37 -1.33 1.86 0.00 0.01 0.00 0.00 177.00 177.90 1bxr h ALA 323 N 1.17 2.30 -0.10 -1.55 0.00 -1.94 -0.41 119.26 118.73 1bxr h ALA 323 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1bxr h ALA 323 Cb 1.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1bxr h ALA 323 CO 0.56 -0.82 0.00 0.27 0.00 0.00 0.00 179.25 179.26 1bxr n ASN 324 N -3.75 0.74 -4.08 0.00 2.04 -1.26 -4.66 115.26 104.29 1bxr n ASN 324 Ca 0.10 -1.70 -0.32 0.00 -0.44 0.00 0.00 54.58 52.22 1bxr n ASN 324 Cb 0.75 -0.06 -0.15 0.00 -2.53 0.00 0.00 39.78 37.79 1bxr n ASN 324 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1bxr s LEU 325 N -1.38 3.46 0.13 -4.53 1.43 -0.17 0.35 118.68 117.98 1bxr s LEU 325 Ca 0.23 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 51.92 1bxr s LEU 325 Cb 0.11 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1bxr s LEU 325 CO 0.18 -0.19 0.34 0.00 0.23 0.00 0.00 176.35 176.91 1bxr s ARG 326 N 1.11 3.58 -0.13 1.70 1.70 0.82 -4.73 118.95 123.00 1bxr s ARG 326 Ca -0.08 -0.17 -0.23 0.00 -0.47 0.00 0.00 55.73 54.78 1bxr s ARG 326 Cb -0.20 -2.89 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 1bxr s ARG 326 CO -0.05 0.49 0.71 0.08 -1.08 0.00 0.00 175.30 175.45 1bxr s VAL 327 N -1.63 5.00 -0.04 4.99 1.01 -1.26 0.13 120.40 128.60 1bxr s VAL 327 Ca 0.40 1.41 0.12 0.00 0.00 0.00 0.00 61.98 63.91 1bxr s VAL 327 Cb -0.12 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 1bxr s VAL 327 CO 0.25 0.16 0.22 0.35 0.00 0.00 0.00 175.10 176.09 1bxr n THR 328 N 4.24 0.22 -3.78 3.92 -2.24 0.58 -4.85 114.28 112.36 1bxr n THR 328 Ca -0.00 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1bxr n THR 328 Cb 0.50 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1bxr n THR 328 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1bxr s HIS 329 N -2.75 -0.18 0.03 4.78 3.76 -1.19 -1.41 115.29 118.34 1bxr s HIS 329 Ca -0.05 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1bxr s HIS 329 Cb 0.07 0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.81 1bxr s HIS 329 CO 0.53 -0.30 -0.00 0.15 -0.85 0.00 0.00 174.74 174.27 1bxr s LYS 330 N -0.88 0.46 0.18 1.40 1.02 -0.62 0.39 119.74 121.70 1bxr s LYS 330 Ca -0.10 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 1bxr s LYS 330 Cb -0.05 0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 1bxr s LYS 330 CO 0.03 -0.09 1.16 0.45 -0.92 0.00 0.00 175.35 175.98 1bxr s SER 331 N -2.06 7.15 0.00 2.83 0.15 0.16 0.13 113.70 122.05 1bxr s SER 331 Ca -0.06 2.19 0.26 0.00 0.70 0.00 0.00 55.95 59.03 1bxr s SER 331 Cb -0.02 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.29 1bxr s SER 331 CO -0.05 -0.32 1.48 0.18 1.20 0.00 0.00 173.24 175.73 1bxr n LEU 332 N 2.42 0.78 -0.06 3.45 4.32 0.67 -0.37 117.00 128.21 1bxr n LEU 332 Ca 0.04 -0.14 -0.19 0.00 -0.02 0.00 0.00 56.01 55.69 1bxr n LEU 332 Cb 0.45 -0.18 -0.13 0.00 -1.62 0.00 0.00 43.42 41.94 1bxr n LEU 332 CO 0.55 0.16 -0.17 -0.26 -1.22 0.00 0.00 177.39 176.45 1bxr h PHE 333 N 0.60 0.11 0.00 -1.77 0.04 -1.92 -3.43 116.94 110.58 1bxr h PHE 333 Ca 0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1bxr h PHE 333 Cb 0.50 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1bxr h PHE 333 CO 0.00 1.33 0.00 -0.40 -0.60 0.00 0.00 178.31 178.64 1bxr n ASP 334 N -4.37 0.49 0.00 2.17 5.68 -1.26 -5.01 116.55 114.25 1bxr n ASP 334 Ca -0.22 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1bxr n ASP 334 Cb 0.66 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 1bxr n ASP 334 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bxr n GLY 335 N 0.25 0.87 3.75 6.12 0.00 0.50 -4.98 105.19 111.70 1bxr n GLY 335 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1bxr n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bxr s THR 336 N -3.48 3.00 0.19 2.61 -4.23 -1.26 -4.49 115.64 107.99 1bxr s THR 336 Ca 0.00 0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 60.63 1bxr s THR 336 Cb 0.00 -2.91 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 1bxr s THR 336 CO 0.00 -0.33 1.42 -0.22 -0.54 0.00 0.00 174.62 174.95 1bxr s LEU 337 N -5.28 4.39 0.00 4.79 2.96 -1.26 0.35 118.68 124.63 1bxr s LEU 337 Ca 0.67 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 1bxr s LEU 337 Cb -0.21 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1bxr s LEU 337 CO 0.47 -0.67 0.00 0.00 -1.32 0.00 0.00 176.35 174.83 1bxr n GLN 338 N 3.05 0.94 -3.61 1.98 1.13 0.16 -4.76 117.38 116.27 1bxr n GLN 338 Ca 0.09 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 1bxr n GLN 338 Cb 0.41 -0.98 -0.07 0.00 0.11 0.00 0.00 30.24 29.71 1bxr n GLN 338 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1bxr s GLY 339 N -2.10 -0.42 0.03 1.08 0.00 -0.78 -1.16 107.32 103.96 1bxr s GLY 339 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 1bxr s GLY 339 CO 0.00 0.68 -0.02 -0.26 0.00 0.00 0.00 173.10 173.50 1bxr s ILE 340 N -1.17 0.15 -0.03 0.90 -4.36 -1.08 -0.31 121.20 115.31 1bxr s ILE 340 Ca -0.11 -1.25 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 1bxr s ILE 340 Cb -0.02 -0.76 0.03 0.00 1.25 0.00 0.00 42.46 42.96 1bxr s ILE 340 CO 0.08 -0.69 0.03 -2.28 0.24 0.00 0.00 174.94 172.31 1bxr s HIS 341 N -2.43 0.16 0.11 1.37 2.46 0.12 -2.22 115.29 114.86 1bxr s HIS 341 Ca -0.07 0.11 -0.31 0.00 0.47 0.00 0.00 55.06 55.26 1bxr s HIS 341 Cb -0.03 -0.38 -0.09 0.00 -0.13 0.00 0.00 32.58 31.95 1bxr s HIS 341 CO -0.05 -0.14 1.64 1.03 -2.47 0.00 0.00 174.74 174.75 1bxr s ARG 342 N 1.39 4.20 0.35 2.88 1.81 0.22 -0.13 118.95 129.66 1bxr s ARG 342 Ca -0.05 2.37 0.19 0.00 -1.72 0.00 0.00 55.73 56.52 1bxr s ARG 342 Cb -0.13 -3.42 0.43 0.00 -0.45 0.00 0.00 34.95 31.38 1bxr s ARG 342 CO -0.03 -0.70 1.61 1.79 -0.68 0.00 0.00 175.30 177.30 1bxr h THR 343 N 4.49 0.73 0.00 0.02 1.35 -0.43 -3.31 112.91 115.76 1bxr h THR 343 Ca -0.43 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1bxr h THR 343 Cb 1.20 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1bxr h THR 343 CO 0.93 0.37 -0.70 -0.90 -0.25 0.00 0.00 175.52 174.97 1bxr n ASP 344 N -3.32 0.70 -4.11 5.36 5.75 -1.26 -5.02 116.55 114.65 1bxr n ASP 344 Ca 0.01 -0.78 -0.09 0.00 -0.01 0.00 0.00 54.79 53.92 1bxr n ASP 344 Cb 0.60 1.03 -0.10 0.00 -1.03 0.00 0.00 41.12 41.62 1bxr n ASP 344 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1bxr s LYS 345 N -2.33 0.67 -1.30 0.11 -0.14 -1.25 -5.03 119.74 110.47 1bxr s LYS 345 Ca 0.05 -1.18 -0.09 0.00 -1.36 0.00 0.00 55.97 53.39 1bxr s LYS 345 Cb 0.10 -0.01 -0.07 0.00 -1.68 0.00 0.00 37.83 36.17 1bxr s LYS 345 CO 0.56 -0.05 2.54 -0.35 -0.76 0.00 0.00 175.35 177.29 1bxr n PRO 346 N 0.28 2.92 -4.27 -1.68 -0.04 -1.26 -4.36 135.00 126.59 1bxr n PRO 346 Ca -0.15 -1.93 -0.21 0.00 -0.04 0.00 0.00 63.50 61.18 1bxr n PRO 346 Cb 0.60 -2.71 -0.16 0.00 -0.04 0.00 0.00 33.50 31.19 1bxr n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr s ALA 347 N 2.85 0.80 0.16 0.55 0.00 -1.26 -1.16 121.76 123.70 1bxr s ALA 347 Ca 0.56 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 1bxr s ALA 347 Cb 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1bxr s ALA 347 CO -0.04 0.03 0.34 -0.59 0.00 0.00 0.00 175.76 175.50 1bxr s PHE 348 N 0.80 0.20 0.16 0.00 -0.71 0.20 -0.61 117.98 118.02 1bxr s PHE 348 Ca -0.12 -0.57 -0.22 0.00 -1.04 0.00 0.00 56.93 54.98 1bxr s PHE 348 Cb -0.14 0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.80 1bxr s PHE 348 CO 0.01 -0.74 0.57 -1.54 -1.34 0.00 0.00 175.22 172.17 1bxr s SER 349 N -2.92 -0.50 -0.03 1.98 1.04 -0.94 -1.38 113.70 110.95 1bxr s SER 349 Ca 0.13 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1bxr s SER 349 Cb 0.02 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1bxr s SER 349 CO -0.03 -0.96 -0.05 0.12 0.98 0.00 0.00 173.24 173.30 1bxr s PHE 350 N -3.76 0.66 0.28 5.02 5.36 -0.28 -2.62 117.98 122.64 1bxr s PHE 350 Ca 0.02 -0.15 0.14 0.00 -0.96 0.00 0.00 56.93 55.98 1bxr s PHE 350 Cb -0.01 -0.52 0.61 0.00 -0.34 0.00 0.00 43.02 42.76 1bxr s PHE 350 CO -0.12 -0.10 1.73 0.37 -1.46 0.00 0.00 175.22 175.63 1bxr h GLN 351 N 6.62 0.00 0.00 10.12 5.75 -1.45 0.89 115.11 137.04 1bxr h GLN 351 Ca -0.34 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.05 1bxr h GLN 351 Cb 1.17 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.74 1bxr h GLN 351 CO 0.49 0.45 0.03 0.41 -2.65 0.00 0.00 178.83 177.57 1bxr n GLY 352 N -0.01 0.54 3.09 2.39 0.00 -1.26 -3.92 105.19 106.02 1bxr n GLY 352 Ca -0.01 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1bxr n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bxr s HIS 353 N -0.67 3.53 0.51 1.61 3.76 -0.57 -3.95 115.29 119.52 1bxr s HIS 353 Ca 0.16 -2.62 0.32 0.00 -0.15 0.00 0.00 55.06 52.77 1bxr s HIS 353 Cb -0.01 -3.16 1.78 0.00 1.11 0.00 0.00 32.58 32.31 1bxr s HIS 353 CO 0.11 -0.92 2.20 -1.35 -0.85 0.00 0.00 174.74 173.93 1bxr h PRO 354 N 7.62 0.00 -0.00 8.40 0.11 -1.87 0.87 132.00 147.12 1bxr h PRO 354 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1bxr h PRO 354 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bxr h PRO 354 CO 0.68 0.04 -0.03 -0.85 -0.21 0.00 0.00 178.00 177.64 1bxr n GLU 355 N -3.58 0.36 0.00 1.05 0.00 -1.26 -3.44 120.64 113.77 1bxr n GLU 355 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1bxr n GLU 355 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1bxr n GLU 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bxr n ALA 356 N -1.30 0.00 -2.93 -1.84 0.00 0.30 -4.84 120.51 109.91 1bxr n ALA 356 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1bxr n ALA 356 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 1bxr n ALA 356 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bxr n SER 357 N 1.29 -6.86 -4.98 0.00 2.88 -1.26 -4.78 113.62 99.90 1bxr n SER 357 Ca 0.00 -0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.12 1bxr n SER 357 Cb 0.00 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 1bxr n SER 357 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bxr s PRO 358 N -3.33 3.07 0.00 -1.46 0.04 -1.26 -4.80 135.00 127.25 1bxr s PRO 358 Ca 0.11 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1bxr s PRO 358 Cb -0.01 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1bxr s PRO 358 CO 0.66 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 178.03 1bxr n GLY 359 N -1.80 0.49 3.77 0.56 0.00 -1.26 -4.84 105.19 102.11 1bxr n GLY 359 Ca 0.01 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1bxr n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bxr s PRO 360 N -0.50 4.22 0.00 1.61 0.02 -1.26 -4.85 135.00 134.24 1bxr s PRO 360 Ca 0.00 2.40 0.31 0.00 0.02 0.00 0.00 61.00 63.73 1bxr s PRO 360 Cb 0.00 -3.04 1.79 0.00 0.02 0.00 0.00 34.50 33.28 1bxr s PRO 360 CO 0.00 -0.41 2.17 0.72 -0.33 0.00 0.00 177.00 179.15 1bxr n HIS 361 N 1.13 0.00 -0.30 6.54 8.25 -1.26 -4.39 115.22 125.20 1bxr n HIS 361 Ca 0.03 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.73 1bxr n HIS 361 Cb 0.40 -0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.06 1bxr n HIS 361 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1bxr h ASP 362 N 0.30 0.36 -0.04 0.41 5.19 -1.91 -2.28 116.42 118.45 1bxr h ASP 362 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1bxr h ASP 362 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1bxr h ASP 362 CO 0.00 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 1bxr n ALA 363 N -2.53 2.53 -0.03 3.45 0.00 -1.26 -4.41 120.51 118.26 1bxr n ALA 363 Ca 0.24 -0.54 0.18 0.00 0.00 0.00 0.00 53.44 53.32 1bxr n ALA 363 Cb 0.90 -1.04 0.63 0.00 0.00 0.00 0.00 19.45 19.94 1bxr n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h ALA 364 N 4.46 2.34 0.00 0.00 0.00 -1.43 -0.60 119.26 124.03 1bxr h ALA 364 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 364 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bxr h ALA 364 CO 0.00 -0.49 0.00 -2.30 0.00 0.00 0.00 179.25 176.46 1bxr n PRO 365 N -4.42 0.10 -0.23 0.00 -0.02 -1.26 -1.66 135.00 127.52 1bxr n PRO 365 Ca 0.10 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 62.23 1bxr n PRO 365 Cb 0.53 -1.83 0.30 0.00 -0.02 0.00 0.00 33.50 32.49 1bxr n PRO 365 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1bxr h LEU 366 N 0.00 0.77 -1.48 2.45 4.07 -1.45 -2.05 115.31 117.63 1bxr h LEU 366 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1bxr h LEU 366 Cb 0.00 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1bxr h LEU 366 CO 0.00 0.51 -0.11 -0.26 -1.08 0.00 0.00 178.44 177.50 1bxr h PHE 367 N 0.88 0.21 0.00 1.13 0.04 -1.54 -2.83 116.94 114.83 1bxr h PHE 367 Ca 0.33 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.02 1bxr h PHE 367 Cb 0.19 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1bxr h PHE 367 CO -0.00 0.32 -0.29 -0.44 -0.60 0.00 0.00 178.31 177.29 1bxr h ASP 368 N 0.19 0.00 -0.35 2.17 3.32 -1.53 -1.70 116.42 118.53 1bxr h ASP 368 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1bxr h ASP 368 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1bxr h ASP 368 CO 0.02 0.29 -0.27 -0.74 -1.72 0.00 0.00 179.24 176.82 1bxr h HIS 369 N 0.00 1.00 -0.02 4.55 2.76 -1.52 -1.30 115.15 120.62 1bxr h HIS 369 Ca -0.00 -0.25 -0.02 0.00 -2.20 0.00 0.00 60.37 57.89 1bxr h HIS 369 Cb 0.88 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 1bxr h HIS 369 CO 0.00 1.03 -0.08 0.35 -1.30 0.00 0.00 177.93 177.93 1bxr h PHE 370 N 0.74 0.03 0.04 5.26 3.57 -1.39 -1.82 116.94 123.37 1bxr h PHE 370 Ca 0.09 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.35 1bxr h PHE 370 Cb 0.82 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1bxr h PHE 370 CO 0.05 0.11 -1.03 0.82 -2.23 0.00 0.00 178.31 176.04 1bxr h ILE 371 N 0.03 1.44 0.12 1.41 1.08 -0.62 -3.07 117.51 117.90 1bxr h ILE 371 Ca 0.01 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 1bxr h ILE 371 Cb 0.16 2.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 1bxr h ILE 371 CO 0.01 0.78 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.57 1bxr h GLU 372 N 0.17 -0.51 -1.09 2.37 5.08 -0.39 0.14 114.58 120.36 1bxr h GLU 372 Ca -0.09 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.60 1bxr h GLU 372 Cb 1.69 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.95 1bxr h GLU 372 CO 0.17 -0.34 0.70 -0.07 -1.00 0.00 0.00 179.01 178.47 1bxr h LEU 373 N -0.53 0.41 -0.06 1.33 3.38 -1.61 0.23 115.31 118.46 1bxr h LEU 373 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1bxr h LEU 373 Cb 0.51 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1bxr h LEU 373 CO -0.16 0.03 -0.05 0.40 0.09 0.00 0.00 178.44 178.75 1bxr h ILE 374 N 0.33 1.36 -0.98 1.22 2.04 -1.29 -0.28 117.51 119.92 1bxr h ILE 374 Ca 0.64 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1bxr h ILE 374 Cb 1.70 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 39.75 1bxr h ILE 374 CO -0.32 0.32 0.65 -0.33 0.00 0.00 0.00 178.15 178.47 1bxr h GLU 375 N -0.28 1.28 -0.32 2.37 5.08 0.21 -1.61 114.58 121.30 1bxr h GLU 375 Ca 0.01 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1bxr h GLU 375 Cb 0.55 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1bxr h GLU 375 CO 0.01 0.85 -0.32 0.37 -1.00 0.00 0.00 179.01 178.92 1bxr h GLN 376 N 1.32 0.69 0.00 2.33 4.15 -0.61 -1.82 115.11 121.16 1bxr h GLN 376 Ca 0.36 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1bxr h GLN 376 Cb -0.14 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1bxr h GLN 376 CO -0.08 0.92 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.81 1bxr h TYR 377 N 0.59 0.00 0.00 3.99 3.20 -0.61 -1.70 116.97 122.44 1bxr h TYR 377 Ca 0.07 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1bxr h TYR 377 Cb 0.83 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1bxr h TYR 377 CO 0.04 0.01 -0.77 0.00 -1.64 0.00 0.00 178.16 175.79 1bxr h ARG 378 N 0.00 0.00 -0.59 1.82 3.08 -0.71 -3.24 114.38 114.74 1bxr h ARG 378 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1bxr h ARG 378 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1bxr h ARG 378 CO 0.00 0.18 0.04 -0.22 -1.07 0.00 0.00 179.97 178.91 1bxr h LYS 379 N 0.00 1.02 -0.03 0.04 3.64 -0.50 -3.51 116.57 117.23 1bxr h LYS 379 Ca -0.04 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1bxr h LYS 379 Cb 1.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1bxr h LYS 379 CO 0.03 0.99 0.00 2.41 -2.27 0.00 0.00 179.45 180.60